#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 1.60 1.03 3.03 0.00 -1.26 -4.99 107.32 106.74 1ik0 s GLY 2 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 44.72 43.81 1ik0 s GLY 2 CO 0.00 -0.02 -1.14 -1.05 0.00 0.00 0.00 173.10 170.89 1ik0 n PRO 3 N -3.95 -0.43 -2.78 2.90 -0.02 -1.26 -4.89 135.00 124.57 1ik0 n PRO 3 Ca 0.08 -0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 1ik0 n PRO 3 Cb 0.59 -1.18 -0.06 0.00 -0.02 0.00 0.00 33.50 32.82 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 -2.06 4.26 1.10 -1.45 -7.23 -1.26 -5.02 120.40 108.74 1ik0 s VAL 4 Ca 0.41 1.60 -0.20 0.00 -1.81 0.00 0.00 61.98 61.98 1ik0 s VAL 4 Cb 0.05 -3.76 0.06 0.00 0.56 0.00 0.00 36.38 33.28 1ik0 s VAL 4 CO 0.66 -0.11 -0.26 -2.65 -0.31 0.00 0.00 175.10 172.43 1ik0 n PRO 5 N -0.14 -1.40 0.09 4.82 -0.02 -1.26 -4.67 135.00 132.41 1ik0 n PRO 5 Ca 0.05 -0.39 -0.13 0.00 -2.02 0.00 0.00 63.50 61.01 1ik0 n PRO 5 Cb 0.52 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.34 1ik0 n PRO 5 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ik0 h PRO 6 N -1.92 -0.24 -0.62 0.52 0.13 -2.00 -2.43 132.00 125.44 1ik0 h PRO 6 Ca -0.51 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1ik0 h PRO 6 Cb 1.36 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.51 1ik0 h PRO 6 CO 0.35 0.13 0.28 0.66 -0.23 0.00 0.00 178.00 179.19 1ik0 h SER 7 N -0.67 0.80 -0.59 1.44 4.64 -1.96 -2.43 113.55 114.79 1ik0 h SER 7 Ca -0.03 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 1ik0 h SER 7 Cb 0.48 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1ik0 h SER 7 CO 0.04 0.70 -0.04 0.74 -0.87 0.00 0.00 176.83 177.40 1ik0 h THR 8 N 0.88 1.27 -0.62 2.95 2.02 -1.91 -2.59 112.91 114.91 1ik0 h THR 8 Ca 0.22 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1ik0 h THR 8 Cb 0.12 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1ik0 h THR 8 CO -0.03 0.43 0.37 0.00 0.37 0.00 0.00 175.52 176.66 1ik0 h ALA 9 N 0.97 0.80 -0.04 6.16 0.00 -0.97 -1.67 119.26 124.51 1ik0 h ALA 9 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ik0 h ALA 9 Cb 0.61 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ik0 h ALA 9 CO 0.04 0.29 0.02 1.25 0.00 0.00 0.00 179.25 180.85 1ik0 h LEU 10 N 0.85 0.04 -0.48 0.00 5.85 -1.26 0.19 115.31 120.49 1ik0 h LEU 10 Ca 0.22 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1ik0 h LEU 10 Cb -0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1ik0 h LEU 10 CO -0.04 0.03 0.32 0.03 -0.34 0.00 0.00 178.44 178.44 1ik0 h ARG 11 N 0.05 0.63 -0.72 1.25 3.08 -1.24 0.81 114.38 118.23 1ik0 h ARG 11 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ik0 h ARG 11 Cb -0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1ik0 h ARG 11 CO -0.00 0.42 0.40 0.93 -1.07 0.00 0.00 179.97 180.64 1ik0 h GLU 12 N 0.65 0.99 -0.20 0.04 5.08 -1.06 -1.36 114.58 118.72 1ik0 h GLU 12 Ca 0.18 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1ik0 h GLU 12 Cb -0.07 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 1ik0 h GLU 12 CO -0.04 0.73 -0.20 1.25 -1.00 0.00 0.00 179.01 179.75 1ik0 h LEU 13 N 1.00 0.53 -0.47 1.33 5.85 -0.11 -2.65 115.31 120.79 1ik0 h LEU 13 Ca 0.26 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1ik0 h LEU 13 Cb 0.02 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1ik0 h LEU 13 CO -0.04 0.89 0.25 0.40 -0.34 0.00 0.00 178.44 179.61 1ik0 h ILE 14 N 0.17 1.17 -0.95 4.05 2.04 -0.56 -1.47 117.51 121.95 1ik0 h ILE 14 Ca 0.03 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.46 1ik0 h ILE 14 Cb 0.74 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1ik0 h ILE 14 CO 0.05 0.18 0.63 -0.33 0.00 0.00 0.00 178.15 178.68 1ik0 h GLU 15 N 0.62 1.26 -0.15 2.37 5.08 -1.26 -1.73 114.58 120.78 1ik0 h GLU 15 Ca 0.17 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1ik0 h GLU 15 Cb 0.06 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1ik0 h GLU 15 CO -0.03 0.84 -0.27 1.49 -1.00 0.00 0.00 179.01 180.04 1ik0 h GLU 16 N 1.30 0.44 -0.81 2.33 4.81 -1.16 -2.37 114.58 119.11 1ik0 h GLU 16 Ca 0.35 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1ik0 h GLU 16 Cb -0.15 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1ik0 h GLU 16 CO -0.08 0.88 0.45 -0.07 -0.73 0.00 0.00 179.01 179.47 1ik0 h LEU 17 N 0.06 1.01 -0.43 1.64 3.38 -1.11 -2.40 115.31 117.46 1ik0 h LEU 17 Ca 0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1ik0 h LEU 17 Cb 0.86 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ik0 h LEU 17 CO 0.06 0.81 -0.01 0.58 0.09 0.00 0.00 178.44 179.97 1ik0 h VAL 18 N 1.13 1.26 -0.52 1.22 2.07 -1.33 -2.47 116.25 117.60 1ik0 h VAL 18 Ca 0.29 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ik0 h VAL 18 Cb 0.02 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1ik0 h VAL 18 CO -0.05 0.36 0.34 -1.13 0.02 0.00 0.00 177.57 177.11 1ik0 h ASN 19 N 0.61 0.60 1.13 0.57 -1.24 -1.12 -0.52 115.58 115.62 1ik0 h ASN 19 Ca 0.12 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1ik0 h ASN 19 Cb 0.50 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1ik0 h ASN 19 CO 0.02 0.44 0.00 2.30 -1.29 0.00 0.00 177.43 178.90 1ik0 n ILE 20 N -4.72 0.50 -0.08 2.57 -5.35 -0.93 -3.28 119.36 108.07 1ik0 n ILE 20 Ca 0.03 -0.07 -0.08 0.00 -0.27 0.00 0.00 62.75 62.36 1ik0 n ILE 20 Cb 0.02 -0.69 -0.16 0.00 -1.74 0.00 0.00 39.64 37.07 1ik0 n ILE 20 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ik0 n THR 21 N -1.98 1.30 -0.00 7.28 -2.24 -0.94 -3.90 114.28 113.80 1ik0 n THR 21 Ca 0.05 -0.82 -0.18 0.00 -2.27 0.00 0.00 64.05 60.83 1ik0 n THR 21 Cb 0.35 -0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 68.00 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 0.77 -0.63 -0.78 4.20 -1.16 -3.25 115.11 114.26 1ik0 h GLN 22 Ca -0.47 -0.69 0.00 0.00 0.06 0.00 0.00 58.65 57.55 1ik0 h GLN 22 Cb 2.11 0.16 0.00 0.00 0.30 0.00 0.00 27.48 30.05 1ik0 h GLN 22 CO 0.03 1.29 0.00 0.09 -0.67 0.00 0.00 178.83 179.57 1ik0 n ASN 23 N -3.91 5.08 -4.65 1.46 3.02 -1.21 -4.91 115.26 110.14 1ik0 n ASN 23 Ca -0.09 -2.77 -0.42 0.00 -0.03 0.00 0.00 54.58 51.27 1ik0 n ASN 23 Cb 0.79 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1ik0 n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ik0 s GLN 24 N -2.46 4.18 0.00 3.52 -2.07 -1.23 -4.95 119.66 116.65 1ik0 s GLN 24 Ca 0.48 1.10 0.00 0.00 -1.82 0.00 0.00 55.36 55.12 1ik0 s GLN 24 Cb 0.36 -3.67 0.00 0.00 -1.09 0.00 0.00 33.01 28.61 1ik0 s GLN 24 CO 0.15 -0.64 0.00 1.17 -1.32 0.00 0.00 175.29 174.65 1ik0 n LYS 25 N 6.29 0.00 -2.68 9.60 4.81 -1.26 -4.86 118.16 130.06 1ik0 n LYS 25 Ca 0.09 0.48 -0.31 0.00 -0.87 0.00 0.00 58.31 57.70 1ik0 n LYS 25 Cb 0.47 -0.98 -0.04 0.00 0.02 0.00 0.00 35.03 34.50 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 -3.03 3.21 1.00 3.14 0.00 -1.26 -5.01 121.76 119.81 1ik0 s ALA 26 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 1ik0 s ALA 26 Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.16 1ik0 s ALA 26 CO 0.00 -0.07 -0.40 -2.30 0.00 0.00 0.00 175.76 172.99 1ik0 n PRO 27 N -1.31 -0.35 0.28 0.00 -0.02 -1.26 -4.80 135.00 127.54 1ik0 n PRO 27 Ca 0.04 -0.09 0.18 0.00 -2.02 0.00 0.00 63.50 61.62 1ik0 n PRO 27 Cb 0.54 -1.39 0.79 0.00 -0.02 0.00 0.00 33.50 33.42 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 -1.36 0.00 -8.52 2.45 3.38 -1.96 -3.45 115.31 105.85 1ik0 h LEU 28 Ca -0.45 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.28 1ik0 h LEU 28 Cb 1.32 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 1ik0 h LEU 28 CO 0.29 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.51 1ik0 n ASN 30 N -0.93 3.21 -2.16 0.00 5.15 -1.26 -4.12 115.26 115.13 1ik0 n ASN 30 Ca 0.01 -2.40 -0.20 0.00 -0.60 0.00 0.00 54.58 51.40 1ik0 n ASN 30 Cb 0.63 -0.97 -0.02 0.00 -0.53 0.00 0.00 39.78 38.88 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 4.12 -0.13 3.75 8.20 0.00 -1.26 -4.93 105.19 114.93 1ik0 n GLY 31 Ca 0.40 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.20 5.19 0.18 1.61 0.01 -1.26 -4.92 113.70 112.31 1ik0 s SER 32 Ca 0.00 2.39 0.10 0.00 1.31 0.00 0.00 55.95 59.75 1ik0 s SER 32 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1ik0 s SER 32 CO 0.00 -1.60 -0.21 -0.04 0.41 0.00 0.00 173.24 171.81 1ik0 s MET 33 N -3.33 1.39 0.17 12.44 -1.94 -1.26 -2.60 119.30 124.16 1ik0 s MET 33 Ca 0.78 -1.47 0.06 0.00 -1.71 0.00 0.00 55.69 53.34 1ik0 s MET 33 Cb -0.30 -1.55 -0.05 0.00 2.01 0.00 0.00 34.83 34.94 1ik0 s MET 33 CO 0.33 0.32 -0.12 0.14 -0.01 0.00 0.00 175.02 175.69 1ik0 s VAL 34 N -1.91 1.37 0.19 -6.03 -7.23 0.03 -4.88 120.40 101.93 1ik0 s VAL 34 Ca 0.18 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 1ik0 s VAL 34 Cb -0.07 -1.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 1ik0 s VAL 34 CO 0.08 -0.69 1.17 0.26 -0.31 0.00 0.00 175.10 175.60 1ik0 s TRP 35 N -3.20 3.48 0.65 2.82 0.52 -1.26 -0.68 118.94 121.26 1ik0 s TRP 35 Ca 0.19 1.48 -0.15 0.00 0.02 0.00 0.00 56.10 57.64 1ik0 s TRP 35 Cb 0.01 -3.38 -0.00 0.00 -1.15 0.00 0.00 33.47 28.95 1ik0 s TRP 35 CO 0.03 -1.01 1.11 -1.54 0.02 0.00 0.00 176.95 175.55 1ik0 s SER 36 N 0.03 5.16 0.13 2.95 1.04 -1.13 -4.88 113.70 117.00 1ik0 s SER 36 Ca 0.51 1.99 0.01 0.00 0.48 0.00 0.00 55.95 58.95 1ik0 s SER 36 Cb -0.32 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.21 1ik0 s SER 36 CO 0.36 -1.59 -0.02 0.27 0.98 0.00 0.00 173.24 173.25 1ik0 s ILE 37 N -2.33 0.55 -0.23 -1.02 -4.36 -1.26 -4.92 121.20 107.62 1ik0 s ILE 37 Ca 0.67 -1.94 -0.22 0.00 -0.26 0.00 0.00 60.65 58.90 1ik0 s ILE 37 Cb -0.20 -1.90 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 1ik0 s ILE 37 CO 0.41 -0.66 0.71 0.20 0.24 0.00 0.00 174.94 175.84 1ik0 s ASN 38 N -3.08 6.71 -0.37 4.36 0.02 -1.26 -5.00 114.94 116.32 1ik0 s ASN 38 Ca 0.18 0.87 -0.29 0.00 -1.02 0.00 0.00 52.86 52.61 1ik0 s ASN 38 Cb 0.06 -2.38 0.02 0.00 0.02 0.00 0.00 41.25 38.97 1ik0 s ASN 38 CO -0.01 -0.40 1.10 -0.76 0.02 0.00 0.00 177.10 177.05 1ik0 s LEU 39 N 2.46 3.84 0.00 0.60 2.01 -1.26 -4.87 118.68 121.47 1ik0 s LEU 39 Ca 0.30 0.88 0.00 0.00 0.01 0.00 0.00 54.13 55.32 1ik0 s LEU 39 Cb -0.16 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.50 1ik0 s LEU 39 CO 0.09 -1.00 0.00 0.35 1.01 0.00 0.00 176.35 176.80 1ik0 n THR 40 N 6.18 0.00 0.00 5.49 -2.24 -1.26 -5.06 114.28 117.38 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 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.00 -0.17 6.98 0.00 -1.26 -4.40 120.51 118.66 1ik0 n ALA 41 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1ik0 n ALA 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 2.28 1.22 0.36 0.00 0.00 -1.26 -4.30 105.19 103.50 1ik0 n GLY 42 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 4.57 1.27 -0.83 1.61 0.00 -1.90 -0.42 114.93 119.23 1ik0 h MET 43 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 59.70 59.59 1ik0 h MET 43 Cb 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 31.60 31.58 1ik0 h MET 43 CO 0.27 0.92 0.55 1.88 0.00 0.00 0.00 176.91 180.52 1ik0 h TYR 44 N 1.28 1.04 0.28 -0.22 -1.99 -1.93 1.39 116.97 116.83 1ik0 h TYR 44 Ca 0.33 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 1ik0 h TYR 44 Cb 0.00 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.38 1ik0 h TYR 44 CO 0.01 0.66 -0.14 0.00 -0.00 0.00 0.00 178.16 178.69 1ik0 h ALA 46 N -0.17 1.01 -0.58 0.00 0.00 -0.88 -2.57 119.26 116.08 1ik0 h ALA 46 Ca -0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1ik0 h ALA 46 Cb 0.49 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ik0 h ALA 46 CO 0.06 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.90 1ik0 h ALA 47 N 1.15 0.79 0.07 0.00 0.00 0.19 -2.91 119.26 118.55 1ik0 h ALA 47 Ca 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ik0 h ALA 47 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ik0 h ALA 47 CO -0.02 0.68 -0.03 1.25 0.00 0.00 0.00 179.25 181.13 1ik0 h LEU 48 N 0.95 -0.08 -1.01 0.00 5.85 -0.57 -2.57 115.31 117.88 1ik0 h LEU 48 Ca 0.15 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1ik0 h LEU 48 Cb 0.64 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1ik0 h LEU 48 CO 0.04 -0.06 0.67 1.05 -0.34 0.00 0.00 178.44 179.80 1ik0 h GLU 49 N -0.09 1.30 -0.96 1.25 -0.00 -1.45 -1.42 114.58 113.22 1ik0 h GLU 49 Ca -0.01 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.27 1ik0 h GLU 49 Cb 0.07 -0.29 -0.05 0.00 -0.00 0.00 0.00 28.75 28.48 1ik0 h GLU 49 CO 0.02 0.86 0.59 1.03 -0.00 0.00 0.00 179.01 181.51 1ik0 h SER 50 N 1.34 1.14 0.47 3.06 0.87 -1.30 -1.80 113.55 117.33 1ik0 h SER 50 Ca 0.38 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.77 1ik0 h SER 50 Cb -0.11 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.54 1ik0 h SER 50 CO -0.09 0.86 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.51 1ik0 h LEU 51 N 1.32 0.03 -1.26 2.23 3.38 -0.95 -2.70 115.31 117.36 1ik0 h LEU 51 Ca 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1ik0 h LEU 51 Cb -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ik0 h LEU 51 CO -0.07 0.52 0.22 0.40 0.09 0.00 0.00 178.44 179.60 1ik0 h ILE 52 N 0.02 0.00 0.00 1.22 1.08 -0.37 0.66 117.51 120.12 1ik0 h ILE 52 Ca -0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.35 1ik0 h ILE 52 Cb 0.88 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1ik0 h ILE 52 CO 0.07 0.00 -0.81 0.78 -0.69 0.00 0.00 178.15 177.50 1ik0 h ASN 53 N 0.00 0.00 -3.51 1.72 2.35 -1.55 -3.44 115.58 111.15 1ik0 h ASN 53 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1ik0 h ASN 53 Cb 0.45 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.70 1ik0 h ASN 53 CO 0.00 0.47 0.12 -0.69 -1.65 0.00 0.00 177.43 175.68 1ik0 s VAL 54 N -2.99 4.99 0.13 2.81 1.01 0.23 -5.05 120.40 121.54 1ik0 s VAL 54 Ca 0.02 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.06 1ik0 s VAL 54 Cb 0.08 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ik0 s VAL 54 CO 0.77 -0.00 -0.14 -0.44 0.00 0.00 0.00 175.10 175.29 1ik0 s SER 55 N 1.53 2.01 0.00 3.32 0.01 -1.26 -4.75 113.70 114.56 1ik0 s SER 55 Ca 0.25 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1ik0 s SER 55 Cb -0.15 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1ik0 s SER 55 CO 0.09 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1ik0 n GLY 56 N 0.40 1.42 3.34 3.44 0.00 -1.26 -5.00 105.19 107.54 1ik0 n GLY 56 Ca -0.14 0.00 -0.45 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 9.01 0.66 0.00 0.00 0.87 -1.94 -2.14 113.55 120.01 1ik0 h SER 58 Ca -0.28 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1ik0 h SER 58 Cb 1.09 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1ik0 h SER 58 CO 1.06 0.87 0.45 0.00 -0.53 0.00 0.00 176.83 178.69 1ik0 h ALA 59 N 1.18 1.38 0.00 6.23 0.00 -1.90 0.34 119.26 126.49 1ik0 h ALA 59 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ik0 h ALA 59 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ik0 h ALA 59 CO 0.05 -0.38 0.00 0.44 0.00 0.00 0.00 179.25 179.36 1ik0 n ILE 60 N -2.34 0.00 -0.12 0.00 -5.35 -1.05 -4.73 119.36 105.77 1ik0 n ILE 60 Ca -0.01 -0.32 -0.08 0.00 -0.27 0.00 0.00 62.75 62.06 1ik0 n ILE 60 Cb 0.48 1.14 -0.00 0.00 -1.74 0.00 0.00 39.64 39.52 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 0.49 -0.53 6.28 4.81 -0.26 -1.40 114.58 123.97 1ik0 h GLU 61 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1ik0 h GLU 61 Cb 0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1ik0 h GLU 61 CO 0.00 0.33 0.23 0.87 -0.73 0.00 0.00 179.01 179.71 1ik0 h LYS 62 N 0.51 0.75 -1.00 1.92 1.57 -1.86 -2.23 116.57 116.24 1ik0 h LYS 62 Ca 0.14 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1ik0 h LYS 62 Cb -0.06 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 1ik0 h LYS 62 CO -0.03 0.61 0.66 1.15 -0.57 0.00 0.00 179.45 181.27 1ik0 h THR 63 N 0.75 1.26 -0.93 -0.16 2.02 -1.57 -2.14 112.91 112.14 1ik0 h THR 63 Ca 0.18 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1ik0 h THR 63 Cb 0.12 -0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 66.27 1ik0 h THR 63 CO -0.02 0.25 0.62 1.56 0.37 0.00 0.00 175.52 178.29 1ik0 h GLN 64 N 1.35 1.22 -0.14 6.66 4.20 -0.73 0.14 115.11 127.82 1ik0 h GLN 64 Ca 0.37 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1ik0 h GLN 64 Cb -0.16 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.34 1ik0 h GLN 64 CO -0.08 0.81 0.07 -0.09 -0.67 0.00 0.00 178.83 178.87 1ik0 h ARG 65 N 1.26 0.20 -0.79 1.46 2.43 -1.37 -1.31 114.38 116.26 1ik0 h ARG 65 Ca 0.34 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1ik0 h ARG 65 Cb -0.15 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 1ik0 h ARG 65 CO -0.07 0.23 0.34 0.52 -1.51 0.00 0.00 179.97 179.48 1ik0 h MET 66 N 0.11 1.16 -0.94 0.20 2.86 -0.99 -2.14 114.93 115.19 1ik0 h MET 66 Ca 0.05 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1ik0 h MET 66 Cb 0.10 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.52 1ik0 h MET 66 CO -0.01 0.92 0.56 -0.07 1.06 0.00 0.00 176.91 179.37 1ik0 h LEU 67 N 1.13 1.14 -1.01 1.22 3.38 -0.45 -1.15 115.31 119.57 1ik0 h LEU 67 Ca 0.27 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ik0 h LEU 67 Cb 0.18 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1ik0 h LEU 67 CO -0.03 0.89 0.67 0.28 0.09 0.00 0.00 178.44 180.34 1ik0 h SER 68 N 1.31 1.16 -0.35 -0.43 0.02 -0.66 0.34 113.55 114.93 1ik0 h SER 68 Ca 0.34 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.36 1ik0 h SER 68 Cb -0.04 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 1ik0 h SER 68 CO -0.06 0.84 0.51 1.23 -1.14 0.00 0.00 176.83 178.21 1ik0 h GLY 69 N 1.37 0.00 0.50 -3.77 0.00 -0.59 0.60 103.07 101.18 1ik0 h GLY 69 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1ik0 h GLY 69 CO -0.08 0.00 -1.50 0.69 0.00 0.00 0.00 176.54 175.65 1ik0 n PHE 70 N -3.41 0.49 -3.58 5.60 3.72 0.07 -4.78 117.46 115.58 1ik0 n PHE 70 Ca 0.06 0.14 -0.29 0.00 -0.05 0.00 0.00 57.45 57.32 1ik0 n PHE 70 Cb 0.66 -0.73 -0.15 0.00 -0.94 0.00 0.00 39.48 38.31 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 5.20 0.00 -3.06 0.00 -0.02 -1.21 -4.57 135.00 131.34 1ik0 n PRO 72 Ca -0.06 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.98 1ik0 n PRO 72 Cb 0.43 -1.35 -0.05 0.00 -0.02 0.00 0.00 33.50 32.51 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 1.48 2.95 -0.92 6.00 2.46 -1.26 -4.98 115.29 121.02 1ik0 s HIS 73 Ca 0.00 -0.61 -0.24 0.00 0.47 0.00 0.00 55.06 54.67 1ik0 s HIS 73 Cb 0.00 -3.86 0.05 0.00 -0.13 0.00 0.00 32.58 28.63 1ik0 s HIS 73 CO 0.00 -1.25 1.38 0.15 -2.47 0.00 0.00 174.74 172.55 1ik0 s LYS 74 N 3.01 3.45 -0.17 2.88 1.02 -1.26 -4.96 119.74 123.71 1ik0 s LYS 74 Ca 0.17 -0.83 -0.14 0.00 0.02 0.00 0.00 55.97 55.19 1ik0 s LYS 74 Cb -0.20 -4.94 -0.05 0.00 -0.52 0.00 0.00 37.83 32.13 1ik0 s LYS 74 CO 0.11 -2.18 0.31 0.08 -0.92 0.00 0.00 175.35 172.75 1ik0 s VAL 75 N 5.18 5.29 0.24 3.17 1.01 -1.26 -5.04 120.40 129.00 1ik0 s VAL 75 Ca 0.42 0.56 0.05 0.00 0.00 0.00 0.00 61.98 63.01 1ik0 s VAL 75 Cb -0.03 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1ik0 s VAL 75 CO -0.01 0.36 0.35 -0.44 0.00 0.00 0.00 175.10 175.36 1ik0 s SER 76 N 0.63 6.26 0.00 3.32 0.01 -1.26 -4.93 113.70 117.73 1ik0 s SER 76 Ca 0.17 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1ik0 s SER 76 Cb -0.13 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1ik0 s SER 76 CO 0.05 -0.08 0.69 0.00 0.41 0.00 0.00 173.24 174.31 1ik0 n ALA 77 N -1.41 1.11 -0.06 1.44 0.00 -1.26 -0.63 120.51 119.70 1ik0 n ALA 77 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1ik0 n ALA 77 Cb 0.57 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.19 -0.78 3.70 0.00 0.00 -1.26 -4.93 105.19 100.72 1ik0 n GLY 78 Ca 0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.58 4.29 0.07 1.61 -0.21 0.20 -5.07 119.66 117.97 1ik0 s GLN 79 Ca -0.07 0.46 0.05 0.00 0.02 0.00 0.00 55.36 55.82 1ik0 s GLN 79 Cb 0.06 -3.48 -0.03 0.00 1.00 0.00 0.00 33.01 30.56 1ik0 s GLN 79 CO 0.67 0.04 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.67 1ik0 s PHE 80 N 1.01 1.28 0.00 0.91 0.08 -1.26 -4.25 117.98 115.75 1ik0 s PHE 80 Ca 0.26 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.86 1ik0 s PHE 80 Cb -0.15 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.58 1ik0 s PHE 80 CO 0.10 0.07 0.00 0.43 -0.10 0.00 0.00 175.22 175.73 1ik0 n SER 81 N 1.27 0.50 -0.54 1.36 7.64 -1.26 -4.84 113.62 117.74 1ik0 n SER 81 Ca -0.21 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.78 1ik0 n SER 81 Cb 0.54 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 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 -2.83 2.09 -1.18 6.43 2.88 -1.26 -4.32 113.62 115.43 1ik0 n SER 82 Ca 0.00 -1.54 -0.03 0.00 -1.33 0.00 0.00 58.87 55.97 1ik0 n SER 82 Cb 0.42 0.39 0.09 0.00 -0.75 0.00 0.00 64.21 64.36 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 0.12 3.40 0.02 2.46 4.32 -1.26 -4.03 117.00 122.03 1ik0 n LEU 83 Ca 0.10 -1.75 -0.19 0.00 -0.02 0.00 0.00 56.01 54.15 1ik0 n LEU 83 Cb 0.48 -0.58 -0.09 0.00 -1.62 0.00 0.00 43.42 41.60 1ik0 n LEU 83 CO 0.26 0.53 0.14 0.45 -1.22 0.00 0.00 177.39 177.55 1ik0 h HIS 84 N 0.75 1.06 -4.10 -1.77 3.86 -1.94 -3.44 115.15 109.57 1ik0 h HIS 84 Ca 0.11 -0.54 -0.46 0.00 -1.16 0.00 0.00 60.37 58.31 1ik0 h HIS 84 Cb 1.30 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 29.65 1ik0 h HIS 84 CO 0.43 1.38 0.37 0.08 0.86 0.00 0.00 177.93 181.05 1ik0 s VAL 85 N -3.46 4.09 -1.27 2.45 1.01 -1.26 -4.95 120.40 117.02 1ik0 s VAL 85 Ca -0.10 1.23 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 1ik0 s VAL 85 Cb 0.07 -3.53 0.17 0.00 0.00 0.00 0.00 36.38 33.10 1ik0 s VAL 85 CO 0.92 -0.35 1.86 0.54 0.00 0.00 0.00 175.10 178.07 1ik0 n ARG 86 N -1.04 3.67 -2.04 2.72 1.74 -1.26 -4.98 116.66 115.47 1ik0 n ARG 86 Ca 0.08 -3.57 -0.28 0.00 -0.77 0.00 0.00 57.85 53.31 1ik0 n ARG 86 Cb 0.53 -2.90 0.08 0.00 -1.02 0.00 0.00 32.46 29.15 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 0.72 4.59 0.35 0.55 1.01 -1.26 -5.06 116.67 117.57 1ik0 s ASP 87 Ca 0.39 0.60 -0.05 0.00 0.71 0.00 0.00 52.55 54.21 1ik0 s ASP 87 Cb 0.09 -1.15 -0.05 0.00 1.01 0.00 0.00 42.92 42.83 1ik0 s ASP 87 CO 0.01 -1.80 0.63 0.42 0.21 0.00 0.00 175.17 174.64 1ik0 s THR 88 N -3.44 4.98 0.49 -1.27 -4.23 -1.26 -4.86 115.64 106.05 1ik0 s THR 88 Ca 0.62 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 61.14 1ik0 s THR 88 Cb -0.11 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 1ik0 s THR 88 CO 0.47 -0.50 0.83 -0.54 -0.54 0.00 0.00 174.62 174.34 1ik0 s LYS 89 N -3.96 3.61 0.09 3.99 1.02 -1.26 -2.85 119.74 120.37 1ik0 s LYS 89 Ca 0.45 0.36 0.01 0.00 0.02 0.00 0.00 55.97 56.81 1ik0 s LYS 89 Cb -0.10 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1ik0 s LYS 89 CO 0.34 -0.24 -0.06 0.96 -0.92 0.00 0.00 175.35 175.44 1ik0 s ILE 90 N -2.74 0.59 0.47 2.17 -4.36 0.14 -4.88 121.20 112.58 1ik0 s ILE 90 Ca 0.50 -1.90 -0.24 0.00 -0.26 0.00 0.00 60.65 58.75 1ik0 s ILE 90 Cb -0.10 -1.64 -0.07 0.00 1.25 0.00 0.00 42.46 41.89 1ik0 s ILE 90 CO 0.44 -0.90 1.29 -1.61 0.24 0.00 0.00 174.94 174.39 1ik0 s GLU 91 N -3.85 3.62 0.26 0.37 2.02 -1.26 -0.79 118.70 119.07 1ik0 s GLU 91 Ca 0.11 2.09 -0.03 0.00 0.02 0.00 0.00 54.97 57.15 1ik0 s GLU 91 Cb 0.06 -2.49 0.38 0.00 0.10 0.00 0.00 34.13 32.18 1ik0 s GLU 91 CO -0.06 -0.76 1.87 0.28 0.02 0.00 0.00 175.26 176.61 1ik0 h VAL 92 N 1.95 1.07 -1.00 2.63 2.07 -1.84 -1.20 116.25 119.92 1ik0 h VAL 92 Ca -0.50 -0.38 0.16 0.00 0.82 0.00 0.00 66.70 66.80 1ik0 h VAL 92 Cb 1.27 -0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 1ik0 h VAL 92 CO 0.60 0.20 0.62 0.00 0.02 0.00 0.00 177.57 179.01 1ik0 h ALA 93 N 1.44 1.60 -0.08 1.67 0.00 -1.90 0.21 119.26 122.19 1ik0 h ALA 93 Ca 0.41 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 55.16 1ik0 h ALA 93 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ik0 h ALA 93 CO -0.17 0.08 -0.83 1.96 0.00 0.00 0.00 179.25 180.29 1ik0 h GLN 94 N 0.87 0.57 -0.17 0.00 4.20 -1.61 -2.79 115.11 116.19 1ik0 h GLN 94 Ca 0.54 -0.51 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1ik0 h GLN 94 Cb 0.71 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1ik0 h GLN 94 CO -0.33 1.14 0.11 0.35 -0.67 0.00 0.00 178.83 179.43 1ik0 h PHE 95 N 0.37 0.21 -0.08 2.96 3.04 -0.28 0.12 116.94 123.28 1ik0 h PHE 95 Ca -0.06 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1ik0 h PHE 95 Cb 1.44 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.88 1ik0 h PHE 95 CO 0.07 0.13 0.04 0.28 -2.02 0.00 0.00 178.31 176.81 1ik0 h VAL 96 N 0.23 1.11 -0.65 1.41 2.07 -1.13 -2.02 116.25 117.27 1ik0 h VAL 96 Ca 0.06 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1ik0 h VAL 96 Cb -0.03 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1ik0 h VAL 96 CO -0.01 0.10 0.34 0.11 0.02 0.00 0.00 177.57 178.12 1ik0 h LYS 97 N 0.00 0.92 -0.91 1.57 1.57 -1.31 -1.22 116.57 117.19 1ik0 h LYS 97 Ca 0.03 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ik0 h LYS 97 Cb 0.12 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1ik0 h LYS 97 CO -0.00 0.71 0.60 -0.44 -0.57 0.00 0.00 179.45 179.75 1ik0 h ASP 98 N 0.89 1.05 -0.34 0.86 3.32 -0.61 -1.39 116.42 120.20 1ik0 h ASP 98 Ca 0.23 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1ik0 h ASP 98 Cb 0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1ik0 h ASP 98 CO -0.03 0.76 -0.03 0.25 -1.72 0.00 0.00 179.24 178.47 1ik0 h LEU 99 N 1.23 0.69 -0.82 1.55 5.85 -0.92 -2.97 115.31 119.93 1ik0 h LEU 99 Ca 0.33 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1ik0 h LEU 99 Cb -0.14 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.65 1ik0 h LEU 99 CO -0.07 0.78 0.50 0.25 -0.34 0.00 0.00 178.44 179.56 1ik0 h LEU 100 N 0.67 0.78 -0.91 2.25 5.85 -0.09 -0.95 115.31 122.92 1ik0 h LEU 100 Ca 0.13 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ik0 h LEU 100 Cb 0.46 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1ik0 h LEU 100 CO 0.02 0.50 0.55 -0.07 -0.34 0.00 0.00 178.44 179.11 1ik0 h LEU 101 N 0.92 1.09 -0.38 2.25 -0.00 -1.35 -2.69 115.31 115.16 1ik0 h LEU 101 Ca 0.36 -0.07 -0.16 0.00 -0.00 0.00 0.00 57.88 58.01 1ik0 h LEU 101 Cb 0.17 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 1ik0 h LEU 101 CO -0.17 0.84 -0.40 0.45 -0.00 0.00 0.00 178.44 179.16 1ik0 h HIS 102 N 1.26 1.13 -0.21 1.13 3.86 -1.40 -2.70 115.15 118.22 1ik0 h HIS 102 Ca 0.33 -0.35 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1ik0 h HIS 102 Cb -0.06 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 1ik0 h HIS 102 CO 0.00 1.18 0.09 -0.07 0.86 0.00 0.00 177.93 180.00 1ik0 h LEU 103 N 0.76 0.13 -1.32 2.43 3.38 -0.88 -1.85 115.31 117.96 1ik0 h LEU 103 Ca 0.06 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ik0 h LEU 103 Cb 1.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1ik0 h LEU 103 CO 0.10 0.11 -0.34 0.07 0.09 0.00 0.00 178.44 178.46 1ik0 h LYS 104 N 0.21 0.00 -0.37 1.13 2.10 -1.54 -3.07 116.57 115.02 1ik0 h LYS 104 Ca 0.09 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.68 1ik0 h LYS 104 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1ik0 h LYS 104 CO -0.07 0.34 -0.01 -0.22 -2.00 0.00 0.00 179.45 177.49 1ik0 h LYS 105 N 0.00 0.66 -0.37 0.07 3.64 -1.01 -2.85 116.57 116.72 1ik0 h LYS 105 Ca -0.00 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1ik0 h LYS 105 Cb 0.60 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1ik0 h LYS 105 CO 0.04 0.77 0.19 -0.07 -2.27 0.00 0.00 179.45 178.12 1ik0 h LEU 106 N 0.48 0.44 -0.83 5.20 -0.00 -1.32 -2.43 115.31 116.85 1ik0 h LEU 106 Ca 0.10 -0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1ik0 h LEU 106 Cb 0.48 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.99 1ik0 h LEU 106 CO 0.02 0.36 0.55 0.15 -0.00 0.00 0.00 178.44 179.53 1ik0 h PHE 107 N 0.51 1.05 0.00 1.13 3.57 -1.48 -0.41 116.94 121.30 1ik0 h PHE 107 Ca 0.13 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1ik0 h PHE 107 Cb 0.02 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.40 1ik0 h PHE 107 CO 0.00 0.66 -0.16 0.00 -2.23 0.00 0.00 178.31 176.59 1ik0 h ARG 108 N 1.13 0.00 0.10 1.11 3.08 -1.42 -2.28 114.38 116.10 1ik0 h ARG 108 Ca 0.31 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.09 1ik0 h ARG 108 Cb -0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1ik0 h ARG 108 CO -0.07 0.16 -1.22 0.93 -1.07 0.00 0.00 179.97 178.70 1ik0 h GLU 109 N 0.00 0.21 0.00 0.04 5.08 -1.14 -3.47 114.58 115.31 1ik0 h GLU 109 Ca -0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1ik0 h GLU 109 Cb 0.32 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ik0 h GLU 109 CO 0.02 1.16 0.00 0.41 -1.00 0.00 0.00 179.01 179.60 1ik0 n GLY 110 N 1.50 1.34 3.38 -3.84 0.00 -0.30 -4.96 105.19 102.32 1ik0 n GLY 110 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.04 3.20 0.05 1.61 0.52 -1.26 -5.03 118.95 118.01 1ik0 s ARG 111 Ca 0.00 -1.52 -0.18 0.00 -0.52 0.00 0.00 55.73 53.50 1ik0 s ARG 111 Cb 0.00 -4.38 -0.06 0.00 0.52 0.00 0.00 34.95 31.02 1ik0 s ARG 111 CO 0.00 -1.55 0.53 -0.06 0.02 0.00 0.00 175.30 174.23 1ik0 s PHE 112 N 2.40 3.79 0.00 -0.53 0.08 -1.26 -4.95 117.98 117.50 1ik0 s PHE 112 Ca 0.16 1.20 0.00 0.00 0.12 0.00 0.00 56.93 58.41 1ik0 s PHE 112 Cb -0.19 -2.45 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 1ik0 s PHE 112 CO 0.02 0.60 0.00 0.09 -0.10 0.00 0.00 175.22 175.83