#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 1.73 1.02 -5.12 0.00 -1.26 -4.97 107.32 98.72 1ik0 s GLY 2 Ca 0.00 0.28 -0.18 0.00 0.00 0.00 0.00 44.72 44.82 1ik0 s GLY 2 CO 0.00 0.62 -0.34 -1.05 0.00 0.00 0.00 173.10 172.33 1ik0 n PRO 3 N -3.33 -0.52 -2.88 2.90 -0.02 -1.26 -4.93 135.00 124.96 1ik0 n PRO 3 Ca 0.09 -0.13 -0.34 0.00 -2.02 0.00 0.00 63.50 61.10 1ik0 n PRO 3 Cb 0.53 -1.46 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 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 -2.19 4.42 1.05 -1.45 -7.23 -1.26 -5.03 120.40 108.71 1ik0 s VAL 4 Ca 0.49 1.44 -0.13 0.00 -1.81 0.00 0.00 61.98 61.97 1ik0 s VAL 4 Cb -0.12 -3.68 0.15 0.00 0.56 0.00 0.00 36.38 33.29 1ik0 s VAL 4 CO 0.71 -0.20 0.67 -0.81 -0.31 0.00 0.00 175.10 175.15 1ik0 n PRO 5 N -0.33 -1.26 -0.03 4.82 -0.04 -1.26 -4.70 135.00 132.19 1ik0 n PRO 5 Ca 0.05 -0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 1ik0 n PRO 5 Cb 0.53 -2.04 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.09 0.19 -1.00 0.54 0.13 -1.99 -1.59 132.00 126.19 1ik0 h PRO 6 Ca -0.51 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1ik0 h PRO 6 Cb 1.31 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1ik0 h PRO 6 CO 0.41 0.37 0.66 0.66 -0.23 0.00 0.00 178.00 179.87 1ik0 h SER 7 N -0.02 1.15 -0.25 1.44 4.64 -1.95 -0.36 113.55 118.20 1ik0 h SER 7 Ca 0.04 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1ik0 h SER 7 Cb 0.27 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1ik0 h SER 7 CO 0.00 0.83 -0.23 0.74 -0.87 0.00 0.00 176.83 177.31 1ik0 h THR 8 N 1.35 1.31 -0.70 2.95 2.02 -1.90 -2.30 112.91 115.65 1ik0 h THR 8 Ca 0.37 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1ik0 h THR 8 Cb -0.15 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1ik0 h THR 8 CO -0.08 0.43 0.43 0.00 0.37 0.00 0.00 175.52 176.67 1ik0 h ALA 9 N 0.68 0.89 -0.16 6.16 0.00 -0.91 -1.11 119.26 124.81 1ik0 h ALA 9 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ik0 h ALA 9 Cb 0.78 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ik0 h ALA 9 CO 0.06 0.36 0.10 1.25 0.00 0.00 0.00 179.25 181.02 1ik0 h LEU 10 N 0.96 0.19 -0.72 0.00 5.85 -1.00 0.15 115.31 120.74 1ik0 h LEU 10 Ca 0.25 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1ik0 h LEU 10 Cb -0.04 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1ik0 h LEU 10 CO -0.05 0.16 0.47 0.03 -0.34 0.00 0.00 178.44 178.72 1ik0 h ARG 11 N 0.21 0.94 -0.74 1.25 3.08 -1.06 0.35 114.38 118.41 1ik0 h ARG 11 Ca 0.06 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1ik0 h ARG 11 Cb -0.00 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1ik0 h ARG 11 CO -0.01 0.62 0.21 0.93 -1.07 0.00 0.00 179.97 180.65 1ik0 h GLU 12 N 0.97 1.16 -0.17 0.04 5.08 -0.81 -1.35 114.58 119.50 1ik0 h GLU 12 Ca 0.26 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1ik0 h GLU 12 Cb -0.11 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1ik0 h GLU 12 CO -0.06 0.99 -0.19 1.25 -1.00 0.00 0.00 179.01 180.00 1ik0 h LEU 13 N 1.10 0.46 -0.44 1.33 5.85 0.11 -2.54 115.31 121.19 1ik0 h LEU 13 Ca 0.24 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1ik0 h LEU 13 Cb 0.33 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1ik0 h LEU 13 CO -0.00 0.86 0.29 0.40 -0.34 0.00 0.00 178.44 179.65 1ik0 h ILE 14 N 0.08 1.12 -0.90 4.05 2.04 -0.20 0.38 117.51 124.08 1ik0 h ILE 14 Ca 0.02 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1ik0 h ILE 14 Cb 0.74 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1ik0 h ILE 14 CO 0.05 0.11 0.59 -0.33 0.00 0.00 0.00 178.15 178.57 1ik0 h GLU 15 N 0.60 1.18 -0.32 2.37 5.08 -1.25 0.81 114.58 123.06 1ik0 h GLU 15 Ca 0.16 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1ik0 h GLU 15 Cb -0.06 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.92 1ik0 h GLU 15 CO -0.03 0.79 -0.39 1.49 -1.00 0.00 0.00 179.01 179.87 1ik0 h GLU 16 N 1.22 0.82 -0.66 2.33 4.81 -1.02 -0.71 114.58 121.37 1ik0 h GLU 16 Ca 0.33 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1ik0 h GLU 16 Cb -0.13 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1ik0 h GLU 16 CO -0.07 1.10 0.28 -0.07 -0.73 0.00 0.00 179.01 179.52 1ik0 h LEU 17 N 0.60 0.90 -0.49 1.64 3.38 -0.47 -2.26 115.31 118.60 1ik0 h LEU 17 Ca 0.04 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1ik0 h LEU 17 Cb 0.98 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1ik0 h LEU 17 CO 0.09 0.81 -0.14 0.58 0.09 0.00 0.00 178.44 179.87 1ik0 h VAL 18 N 0.93 1.27 -1.00 1.22 2.07 -0.76 -2.81 116.25 117.17 1ik0 h VAL 18 Ca 0.22 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1ik0 h VAL 18 Cb 0.18 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1ik0 h VAL 18 CO -0.02 0.45 0.66 0.78 0.02 0.00 0.00 177.57 179.45 1ik0 h ASN 19 N 0.82 1.15 1.93 0.57 2.35 -0.78 -1.53 115.58 120.10 1ik0 h ASN 19 Ca 0.12 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1ik0 h ASN 19 Cb 0.71 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1ik0 h ASN 19 CO 0.05 0.84 0.00 0.16 -1.65 0.00 0.00 177.43 176.83 1ik0 h ILE 20 N 1.35 0.00 0.00 2.81 3.07 -1.34 -3.31 117.51 120.09 1ik0 h ILE 20 Ca 0.36 -0.94 -0.03 0.00 1.55 0.00 0.00 64.86 65.80 1ik0 h ILE 20 Cb -0.15 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.33 1ik0 h ILE 20 CO -0.08 0.00 -1.88 0.35 -1.05 0.00 0.00 178.15 175.49 1ik0 n THR 21 N -3.01 0.22 0.05 0.16 -2.24 -1.04 -3.70 114.28 104.71 1ik0 n THR 21 Ca 0.04 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1ik0 n THR 21 Cb 0.52 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.52 -0.64 -0.78 4.20 -1.39 -3.24 115.11 113.78 1ik0 h GLN 22 Ca -0.05 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.16 1ik0 h GLN 22 Cb 1.11 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1ik0 h GLN 22 CO 0.00 1.13 0.00 0.27 -0.67 0.00 0.00 178.83 179.57 1ik0 n ASN 23 N -3.81 3.60 -4.70 1.46 6.94 -1.25 -4.93 115.26 112.57 1ik0 n ASN 23 Ca -0.07 -1.99 -0.42 0.00 -0.02 0.00 0.00 54.58 52.08 1ik0 n ASN 23 Cb 0.80 -0.43 -0.03 0.00 -2.36 0.00 0.00 39.78 37.76 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 -1.15 4.47 0.00 -3.83 -2.07 -1.23 -4.97 119.66 110.88 1ik0 s GLN 24 Ca 0.45 1.28 0.00 0.00 -1.82 0.00 0.00 55.36 55.27 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 0.31 -0.15 0.00 1.17 -1.32 0.00 0.00 175.29 175.30 1ik0 n LYS 25 N 4.38 0.00 -2.41 9.60 4.81 -1.26 -4.94 118.16 128.33 1ik0 n LYS 25 Ca 0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.18 1ik0 n LYS 25 Cb 0.50 -0.26 -0.03 0.00 0.02 0.00 0.00 35.03 35.27 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 -4.48 3.13 0.37 3.14 0.00 -1.26 -4.97 121.76 117.69 1ik0 s ALA 26 Ca 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.78 1ik0 s ALA 26 Cb 0.00 -3.03 -0.13 0.00 0.00 0.00 0.00 23.12 19.96 1ik0 s ALA 26 CO 0.00 -0.26 0.69 -2.30 0.00 0.00 0.00 175.76 173.89 1ik0 n PRO 27 N -1.70 0.75 0.00 0.00 -0.02 -1.26 -4.88 135.00 127.89 1ik0 n PRO 27 Ca 0.06 0.27 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1ik0 n PRO 27 Cb 0.54 -1.57 -0.07 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.14 0.07-10.40 2.45 3.38 -1.98 -3.43 115.31 106.55 1ik0 h LEU 28 Ca -0.39 -0.17 -0.49 0.00 0.09 0.00 0.00 57.88 56.92 1ik0 h LEU 28 Cb 1.39 -0.02 0.06 0.00 0.09 0.00 0.00 40.66 42.17 1ik0 h LEU 28 CO 0.54 0.23 0.26 0.00 0.09 0.00 0.00 178.44 179.56 1ik0 n ASN 30 N -2.64 2.04 -0.39 0.00 5.03 -1.26 -4.20 115.26 113.84 1ik0 n ASN 30 Ca 0.04 -1.76 -0.04 0.00 0.87 0.00 0.00 54.58 53.69 1ik0 n ASN 30 Cb 0.56 -0.51 -0.01 0.00 -1.02 0.00 0.00 39.78 38.80 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 2.46 0.44 3.75 7.41 0.00 -1.26 -4.98 105.19 113.00 1ik0 n GLY 31 Ca 0.11 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.88 5.32 0.09 1.61 0.01 -1.26 -4.90 113.70 111.70 1ik0 s SER 32 Ca 0.00 2.71 0.05 0.00 1.31 0.00 0.00 55.95 60.02 1ik0 s SER 32 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1ik0 s SER 32 CO 0.00 -1.53 -0.03 -0.04 0.41 0.00 0.00 173.24 172.05 1ik0 s MET 33 N -2.92 2.41 0.16 12.44 -1.94 -1.26 -2.83 119.30 125.37 1ik0 s MET 33 Ca 0.71 -0.89 0.05 0.00 -1.71 0.00 0.00 55.69 53.85 1ik0 s MET 33 Cb -0.39 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.94 1ik0 s MET 33 CO 0.46 0.53 -0.11 0.14 -0.01 0.00 0.00 175.02 176.03 1ik0 s VAL 34 N -1.27 1.32 0.17 -6.03 -7.23 -0.11 -4.88 120.40 102.36 1ik0 s VAL 34 Ca 0.24 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1ik0 s VAL 34 Cb -0.11 -1.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.85 1ik0 s VAL 34 CO 0.17 -0.71 1.21 0.26 -0.31 0.00 0.00 175.10 175.72 1ik0 s TRP 35 N -3.24 3.41 0.53 2.82 0.52 -1.26 -0.09 118.94 121.63 1ik0 s TRP 35 Ca 0.18 1.38 -0.19 0.00 0.02 0.00 0.00 56.10 57.49 1ik0 s TRP 35 Cb 0.02 -3.45 -0.07 0.00 -1.15 0.00 0.00 33.47 28.82 1ik0 s TRP 35 CO 0.02 -1.30 1.09 -1.54 0.02 0.00 0.00 176.95 175.24 1ik0 s SER 36 N 0.28 5.94 0.12 2.95 1.04 -1.13 -4.85 113.70 118.05 1ik0 s SER 36 Ca 0.54 2.05 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 63.18 1ik0 s SER 36 CO 0.36 -1.06 -0.07 0.27 0.98 0.00 0.00 173.24 173.71 1ik0 s ILE 37 N -1.91 0.89 -0.21 -1.02 -4.36 -1.26 -4.91 121.20 108.41 1ik0 s ILE 37 Ca 0.70 -1.99 -0.21 0.00 -0.26 0.00 0.00 60.65 58.89 1ik0 s ILE 37 Cb -0.20 -1.79 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 1ik0 s ILE 37 CO 0.25 -0.79 0.66 0.20 0.24 0.00 0.00 174.94 175.50 1ik0 s ASN 38 N -3.11 6.69 -0.45 4.36 0.01 -1.26 -5.01 114.94 116.18 1ik0 s ASN 38 Ca 0.15 0.84 -0.28 0.00 -0.71 0.00 0.00 52.86 52.85 1ik0 s ASN 38 Cb 0.04 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.37 1ik0 s ASN 38 CO -0.02 -0.32 1.08 -0.76 -1.51 0.00 0.00 177.10 175.58 1ik0 s LEU 39 N 2.12 3.75 0.00 0.60 2.01 -1.26 -4.73 118.68 121.17 1ik0 s LEU 39 Ca 0.29 0.49 0.00 0.00 0.01 0.00 0.00 54.13 54.92 1ik0 s LEU 39 Cb -0.16 -3.48 0.00 0.00 0.01 0.00 0.00 46.19 42.57 1ik0 s LEU 39 CO 0.10 -1.15 0.00 0.35 1.01 0.00 0.00 176.35 176.65 1ik0 n THR 40 N 6.61 0.00 0.03 5.49 -2.24 -1.26 -5.05 114.28 117.87 1ik0 n THR 40 Ca 0.11 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1ik0 n THR 40 Cb 0.49 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.26 2.91 -0.03 6.98 0.00 -1.26 -4.70 120.51 123.15 1ik0 n ALA 41 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 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 3.42 1.27 0.15 0.00 0.00 -1.26 -4.25 105.19 104.52 1ik0 n GLY 42 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 2.18 -0.30 -0.44 1.61 0.00 -1.86 0.79 114.93 116.91 1ik0 h MET 43 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 59.70 59.68 1ik0 h MET 43 Cb 0.46 0.07 -0.02 0.00 0.00 0.00 0.00 31.60 32.11 1ik0 h MET 43 CO 0.00 -0.20 0.11 1.88 0.00 0.00 0.00 176.91 178.70 1ik0 h TYR 44 N -0.31 0.75 0.25 -0.22 -1.99 -1.94 0.44 116.97 113.95 1ik0 h TYR 44 Ca -0.03 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.60 1ik0 h TYR 44 Cb 0.24 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1ik0 h TYR 44 CO -0.06 0.69 -0.12 0.00 -0.00 0.00 0.00 178.16 178.67 1ik0 h ALA 46 N -0.06 0.61 -0.71 0.00 0.00 0.62 -2.42 119.26 117.29 1ik0 h ALA 46 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ik0 h ALA 46 Cb 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ik0 h ALA 46 CO 0.06 0.07 0.24 0.00 0.00 0.00 0.00 179.25 179.62 1ik0 h ALA 47 N 1.16 1.09 -0.00 0.00 0.00 -0.10 -2.87 119.26 118.53 1ik0 h ALA 47 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ik0 h ALA 47 Cb -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1ik0 h ALA 47 CO -0.04 0.63 0.00 1.25 0.00 0.00 0.00 179.25 181.10 1ik0 h LEU 48 N 1.05 0.00 -1.38 0.00 5.85 -0.52 -2.15 115.31 118.15 1ik0 h LEU 48 Ca 0.23 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1ik0 h LEU 48 Cb 0.26 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1ik0 h LEU 48 CO -0.01 0.01 0.44 1.05 -0.34 0.00 0.00 178.44 179.58 1ik0 h GLU 49 N -0.00 0.79 -0.79 1.25 4.11 -1.38 -0.34 114.58 118.21 1ik0 h GLU 49 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1ik0 h GLU 49 Cb 0.01 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1ik0 h GLU 49 CO -0.00 0.52 0.39 0.66 0.07 0.00 0.00 179.01 180.65 1ik0 h SER 50 N 0.81 1.01 0.05 3.06 4.64 -1.22 -2.12 113.55 119.78 1ik0 h SER 50 Ca 0.26 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 1ik0 h SER 50 Cb 0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1ik0 h SER 50 CO -0.07 0.84 -0.43 -0.07 -0.87 0.00 0.00 176.83 176.23 1ik0 h LEU 51 N 1.11 0.50 -2.15 5.97 3.38 -0.48 -2.75 115.31 120.88 1ik0 h LEU 51 Ca 0.27 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1ik0 h LEU 51 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ik0 h LEU 51 CO -0.04 0.87 0.29 0.40 0.09 0.00 0.00 178.44 180.05 1ik0 h ILE 52 N 0.38 0.21 0.00 1.22 1.08 -0.54 0.51 117.51 120.37 1ik0 h ILE 52 Ca 0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1ik0 h ILE 52 Cb 0.91 0.74 -0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1ik0 h ILE 52 CO 0.08 0.00 -0.09 0.78 -0.69 0.00 0.00 178.15 178.23 1ik0 h ASN 53 N 0.00 0.00 -3.58 1.72 -0.26 -1.48 -3.43 115.58 108.54 1ik0 h ASN 53 Ca 0.07 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.19 1ik0 h ASN 53 Cb 0.66 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.79 1ik0 h ASN 53 CO -0.00 0.07 -0.02 -0.69 -1.06 0.00 0.00 177.43 175.73 1ik0 s VAL 54 N -3.18 5.07 0.08 2.81 1.01 0.18 -5.06 120.40 121.32 1ik0 s VAL 54 Ca 0.06 0.87 0.06 0.00 0.00 0.00 0.00 61.98 62.98 1ik0 s VAL 54 Cb 0.05 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1ik0 s VAL 54 CO 0.68 0.09 -0.17 -0.44 0.00 0.00 0.00 175.10 175.27 1ik0 s SER 55 N 1.53 1.99 0.00 3.32 0.01 -1.26 -4.73 113.70 114.56 1ik0 s SER 55 Ca 0.21 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1ik0 s SER 55 Cb -0.16 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1ik0 s SER 55 CO 0.09 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1ik0 n GLY 56 N 1.21 0.63 3.36 3.44 0.00 -1.26 -5.00 105.19 107.56 1ik0 n GLY 56 Ca -0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 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 7.79 0.31 0.00 0.00 0.87 -1.95 -3.04 113.55 117.53 1ik0 h SER 58 Ca 0.14 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1ik0 h SER 58 Cb 1.01 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1ik0 h SER 58 CO 0.87 0.83 0.41 0.00 -0.53 0.00 0.00 176.83 178.41 1ik0 n ALA 59 N -2.48 0.32 -1.05 6.23 0.00 -1.26 0.16 120.51 122.44 1ik0 n ALA 59 Ca -0.02 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1ik0 n ALA 59 Cb 0.61 -0.36 0.04 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.47 0.78 -0.11 0.00 -5.35 -1.15 -4.79 119.36 107.28 1ik0 n ILE 60 Ca -0.00 -0.89 -0.08 0.00 -0.27 0.00 0.00 62.75 61.50 1ik0 n ILE 60 Cb 0.41 0.39 -0.00 0.00 -1.74 0.00 0.00 39.64 38.70 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 0.47 -0.90 6.28 4.81 0.15 -1.67 114.58 123.72 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 0.99 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1ik0 h GLU 61 CO 0.00 0.31 0.49 0.87 -0.73 0.00 0.00 179.01 179.95 1ik0 h LYS 62 N 0.48 1.25 -0.79 1.92 1.57 -1.87 -2.39 116.57 116.75 1ik0 h LYS 62 Ca 0.14 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ik0 h LYS 62 Cb -0.04 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 31.98 1ik0 h LYS 62 CO -0.04 0.91 0.52 1.15 -0.57 0.00 0.00 179.45 181.42 1ik0 h THR 63 N 1.26 1.18 -0.92 -0.16 2.02 -1.67 -0.63 112.91 113.99 1ik0 h THR 63 Ca 0.32 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1ik0 h THR 63 Cb 0.03 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.43 1ik0 h THR 63 CO -0.05 0.19 0.52 1.56 0.37 0.00 0.00 175.52 178.11 1ik0 h GLN 64 N 1.05 1.27 -0.09 6.66 4.20 -0.83 -0.96 115.11 126.41 1ik0 h GLN 64 Ca 0.30 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1ik0 h GLN 64 Cb -0.09 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.43 1ik0 h GLN 64 CO -0.07 0.92 -0.01 0.00 -0.67 0.00 0.00 178.83 179.00 1ik0 h ARG 65 N 1.28 0.17 -0.86 1.46 3.08 -1.01 -2.78 114.38 115.71 1ik0 h ARG 65 Ca 0.32 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1ik0 h ARG 65 Cb 0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1ik0 h ARG 65 CO -0.05 0.45 0.43 0.52 -1.07 0.00 0.00 179.97 180.24 1ik0 h MET 66 N -0.12 1.24 -1.00 0.04 2.86 -0.94 -2.35 114.93 114.66 1ik0 h MET 66 Ca 0.03 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1ik0 h MET 66 Cb 0.38 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1ik0 h MET 66 CO 0.01 0.94 0.66 -0.07 1.06 0.00 0.00 176.91 179.50 1ik0 h LEU 67 N 1.23 1.14 -1.03 1.22 3.38 -1.14 -1.52 115.31 118.59 1ik0 h LEU 67 Ca 0.30 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.27 1ik0 h LEU 67 Cb 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1ik0 h LEU 67 CO -0.04 0.82 0.65 0.28 0.09 0.00 0.00 178.44 180.24 1ik0 h SER 68 N 1.35 1.10 -0.22 -0.43 0.02 -1.14 -0.26 113.55 113.96 1ik0 h SER 68 Ca 0.37 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.37 1ik0 h SER 68 Cb -0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.13 1ik0 h SER 68 CO -0.08 0.77 0.32 1.23 -1.14 0.00 0.00 176.83 177.92 1ik0 h GLY 69 N 1.28 0.00 0.70 -3.77 0.00 -1.04 0.29 103.07 100.53 1ik0 h GLY 69 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1ik0 h GLY 69 CO -0.11 0.00 -1.12 0.69 0.00 0.00 0.00 176.54 176.01 1ik0 n PHE 70 N -3.52 0.49 -3.43 5.60 3.72 -0.14 -4.73 117.46 115.45 1ik0 n PHE 70 Ca 0.03 0.14 -0.22 0.00 -0.05 0.00 0.00 57.45 57.35 1ik0 n PHE 70 Cb 0.44 -0.64 -0.11 0.00 -0.94 0.00 0.00 39.48 38.23 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 4.74 0.00 -3.08 0.00 -0.02 -1.18 -4.63 135.00 130.84 1ik0 n PRO 72 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 1ik0 n PRO 72 Cb 0.43 -1.25 -0.06 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.35 3.04 -0.87 6.00 2.46 -1.26 -4.99 115.29 121.02 1ik0 s HIS 73 Ca 0.00 -0.05 -0.23 0.00 0.47 0.00 0.00 55.06 55.25 1ik0 s HIS 73 Cb 0.00 -3.44 0.06 0.00 -0.13 0.00 0.00 32.58 29.07 1ik0 s HIS 73 CO 0.00 -0.92 1.26 0.15 -2.47 0.00 0.00 174.74 172.76 1ik0 s LYS 74 N 2.94 3.41 -0.12 2.88 1.02 -1.26 -4.98 119.74 123.62 1ik0 s LYS 74 Ca 0.24 -0.98 -0.14 0.00 0.02 0.00 0.00 55.97 55.11 1ik0 s LYS 74 Cb -0.14 -4.78 -0.05 0.00 -0.52 0.00 0.00 37.83 32.34 1ik0 s LYS 74 CO 0.19 -2.04 0.31 0.14 -0.92 0.00 0.00 175.35 173.04 1ik0 s VAL 75 N 4.55 5.26 0.22 3.17 -7.23 -1.26 -5.09 120.40 120.03 1ik0 s VAL 75 Ca 0.36 0.60 0.03 0.00 -1.81 0.00 0.00 61.98 61.17 1ik0 s VAL 75 Cb -0.06 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 1ik0 s VAL 75 CO -0.00 0.45 0.36 -0.44 -0.31 0.00 0.00 175.10 175.16 1ik0 s SER 76 N -0.01 6.33 0.10 4.85 0.01 -1.25 -4.96 113.70 118.77 1ik0 s SER 76 Ca 0.19 0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.72 1ik0 s SER 76 Cb -0.14 -1.92 0.41 0.00 0.21 0.00 0.00 66.02 64.59 1ik0 s SER 76 CO 0.06 -0.06 1.24 0.00 0.41 0.00 0.00 173.24 174.90 1ik0 n ALA 77 N -1.09 1.07 -0.08 1.44 0.00 -1.26 -1.92 120.51 118.68 1ik0 n ALA 77 Ca -0.07 0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1ik0 n ALA 77 Cb 0.56 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.31 -0.63 3.71 0.00 0.00 -1.26 -4.94 105.19 100.77 1ik0 n GLY 78 Ca -0.00 -0.22 -0.39 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 -2.38 4.36 0.10 1.61 -1.52 -0.81 -5.07 119.66 115.96 1ik0 s GLN 79 Ca -0.12 0.63 0.05 0.00 -1.95 0.00 0.00 55.36 53.97 1ik0 s GLN 79 Cb 0.05 -3.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.35 1ik0 s GLN 79 CO 0.58 0.08 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.50 1ik0 s PHE 80 N 0.84 1.29 0.00 0.91 0.08 -1.26 -3.86 117.98 115.99 1ik0 s PHE 80 Ca 0.31 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1ik0 s PHE 80 Cb -0.16 -0.70 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1ik0 s PHE 80 CO 0.13 0.09 0.00 0.43 -0.10 0.00 0.00 175.22 175.78 1ik0 n SER 81 N 0.83 3.78 -0.25 1.36 7.64 -1.26 -4.79 113.62 120.93 1ik0 n SER 81 Ca -0.18 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.81 1ik0 n SER 81 Cb 0.56 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.41 1.50 -1.20 6.43 2.88 -1.26 -4.32 113.62 115.24 1ik0 n SER 82 Ca 0.00 -1.24 -0.04 0.00 -1.33 0.00 0.00 58.87 56.26 1ik0 n SER 82 Cb 0.47 0.71 0.05 0.00 -0.75 0.00 0.00 64.21 64.69 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 -0.76 3.54 0.01 2.46 4.77 -1.26 -4.04 117.00 121.72 1ik0 n LEU 83 Ca 0.07 -1.81 -0.19 0.00 -0.03 0.00 0.00 56.01 54.04 1ik0 n LEU 83 Cb 0.40 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1ik0 n LEU 83 CO 0.35 0.57 0.16 0.45 -1.33 0.00 0.00 177.39 177.59 1ik0 h HIS 84 N 0.36 1.06 -3.88 -1.77 3.86 -1.93 -3.44 115.15 109.41 1ik0 h HIS 84 Ca 0.12 -0.53 -0.48 0.00 -1.16 0.00 0.00 60.37 58.32 1ik0 h HIS 84 Cb 1.32 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.66 1ik0 h HIS 84 CO 0.35 1.37 0.39 0.08 0.86 0.00 0.00 177.93 180.98 1ik0 s VAL 85 N -3.49 3.89 -1.27 2.45 1.01 -1.26 -4.94 120.40 116.79 1ik0 s VAL 85 Ca -0.10 1.62 -0.09 0.00 0.00 0.00 0.00 61.98 63.41 1ik0 s VAL 85 Cb 0.07 -3.93 0.18 0.00 0.00 0.00 0.00 36.38 32.71 1ik0 s VAL 85 CO 0.91 0.18 1.86 0.54 0.00 0.00 0.00 175.10 178.59 1ik0 n ARG 86 N 0.57 3.68 -2.13 2.72 1.74 -1.26 -4.97 116.66 117.00 1ik0 n ARG 86 Ca 0.02 -3.58 -0.27 0.00 -0.77 0.00 0.00 57.85 53.24 1ik0 n ARG 86 Cb 0.49 -2.90 0.13 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 0.70 3.99 0.38 0.55 1.01 -1.26 -5.08 116.67 116.96 1ik0 s ASP 87 Ca 0.39 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.90 1ik0 s ASP 87 Cb 0.09 -0.58 -0.03 0.00 1.01 0.00 0.00 42.92 43.42 1ik0 s ASP 87 CO 0.01 -2.15 0.59 0.42 0.21 0.00 0.00 175.17 174.25 1ik0 s THR 88 N -3.53 4.86 0.38 -1.27 -4.23 -1.26 -4.87 115.64 105.72 1ik0 s THR 88 Ca 0.67 -0.42 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 1ik0 s THR 88 Cb -0.07 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 69.92 1ik0 s THR 88 CO 0.48 -0.54 0.74 -0.54 -0.54 0.00 0.00 174.62 174.23 1ik0 s LYS 89 N -4.40 3.81 0.17 3.99 1.02 -1.26 -2.85 119.74 120.22 1ik0 s LYS 89 Ca 0.42 0.47 0.05 0.00 0.02 0.00 0.00 55.97 56.93 1ik0 s LYS 89 Cb -0.10 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 1ik0 s LYS 89 CO 0.37 0.03 -0.11 0.96 -0.92 0.00 0.00 175.35 175.68 1ik0 s ILE 90 N -2.26 1.34 0.42 2.17 -4.36 0.87 -4.86 121.20 114.52 1ik0 s ILE 90 Ca 0.51 -2.11 -0.26 0.00 -0.26 0.00 0.00 60.65 58.53 1ik0 s ILE 90 Cb -0.10 -1.94 -0.09 0.00 1.25 0.00 0.00 42.46 41.58 1ik0 s ILE 90 CO 0.28 -0.68 1.37 -1.61 0.24 0.00 0.00 174.94 174.55 1ik0 s GLU 91 N -3.72 3.89 0.26 0.37 0.41 -1.26 -0.94 118.70 117.71 1ik0 s GLU 91 Ca 0.19 2.30 -0.04 0.00 -0.41 0.00 0.00 54.97 57.02 1ik0 s GLU 91 Cb 0.02 -2.75 0.35 0.00 -1.78 0.00 0.00 34.13 29.97 1ik0 s GLU 91 CO 0.03 -0.61 1.90 0.28 -0.49 0.00 0.00 175.26 176.37 1ik0 h VAL 92 N 2.48 1.16 -0.82 2.63 2.07 -1.87 -1.72 116.25 120.18 1ik0 h VAL 92 Ca -0.50 -0.43 0.17 0.00 0.82 0.00 0.00 66.70 66.76 1ik0 h VAL 92 Cb 1.25 -0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.71 1ik0 h VAL 92 CO 0.62 0.23 0.34 0.00 0.02 0.00 0.00 177.57 178.78 1ik0 h ALA 93 N 1.42 1.21 0.00 1.67 0.00 -1.90 0.19 119.26 121.85 1ik0 h ALA 93 Ca 0.41 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.27 1ik0 h ALA 93 Cb 0.04 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1ik0 h ALA 93 CO -0.14 -0.24 -0.86 1.96 0.00 0.00 0.00 179.25 179.98 1ik0 h GLN 94 N 0.45 0.00 -0.04 0.00 1.08 -1.75 -2.84 115.11 112.01 1ik0 h GLN 94 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1ik0 h GLN 94 Cb 0.77 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1ik0 h GLN 94 CO -0.45 0.86 0.02 0.35 -0.95 0.00 0.00 178.83 178.66 1ik0 h PHE 95 N 0.00 0.04 -0.33 2.96 3.04 0.16 0.77 116.94 123.58 1ik0 h PHE 95 Ca -0.01 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1ik0 h PHE 95 Cb 1.52 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.00 1ik0 h PHE 95 CO 0.00 0.03 0.11 0.28 -2.02 0.00 0.00 178.31 176.71 1ik0 h VAL 96 N 0.05 1.20 -0.20 1.41 2.07 -1.15 -1.85 116.25 117.78 1ik0 h VAL 96 Ca 0.01 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ik0 h VAL 96 Cb -0.00 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1ik0 h VAL 96 CO -0.00 0.22 0.13 0.11 0.02 0.00 0.00 177.57 178.05 1ik0 h LYS 97 N 0.37 0.27 -0.81 1.57 1.57 -1.25 0.38 116.57 118.66 1ik0 h LYS 97 Ca 0.11 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1ik0 h LYS 97 Cb 0.23 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1ik0 h LYS 97 CO -0.01 0.18 0.54 -0.44 -0.57 0.00 0.00 179.45 179.15 1ik0 h ASP 98 N 0.27 0.93 -0.49 0.86 3.32 -0.75 -1.72 116.42 118.85 1ik0 h ASP 98 Ca 0.07 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1ik0 h ASP 98 Cb -0.03 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1ik0 h ASP 98 CO -0.02 0.67 0.08 0.25 -1.72 0.00 0.00 179.24 178.51 1ik0 h LEU 99 N 1.10 0.83 -0.42 1.55 5.85 -0.92 -3.09 115.31 120.20 1ik0 h LEU 99 Ca 0.30 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1ik0 h LEU 99 Cb -0.12 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 1ik0 h LEU 99 CO -0.07 0.84 0.17 0.25 -0.34 0.00 0.00 178.44 179.29 1ik0 h LEU 100 N 0.83 0.20 -1.00 2.25 5.85 0.01 -1.01 115.31 122.44 1ik0 h LEU 100 Ca 0.17 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1ik0 h LEU 100 Cb 0.38 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1ik0 h LEU 100 CO 0.01 0.15 0.66 -0.07 -0.34 0.00 0.00 178.44 178.85 1ik0 h LEU 101 N 0.35 1.15 -0.48 2.25 -0.00 -1.43 -2.49 115.31 114.66 1ik0 h LEU 101 Ca 0.19 -0.03 -0.14 0.00 -0.00 0.00 0.00 57.88 57.90 1ik0 h LEU 101 Cb 0.15 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 1ik0 h LEU 101 CO -0.17 0.83 -0.27 0.45 -0.00 0.00 0.00 178.44 179.28 1ik0 h HIS 102 N 1.36 1.12 -0.04 1.13 3.86 -1.45 -2.39 115.15 118.73 1ik0 h HIS 102 Ca 0.37 -0.29 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1ik0 h HIS 102 Cb -0.16 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.05 1ik0 h HIS 102 CO -0.00 1.11 -0.02 -0.07 0.86 0.00 0.00 177.93 179.81 1ik0 h LEU 103 N 0.81 -0.07 -1.50 2.43 3.38 -0.75 -1.58 115.31 118.04 1ik0 h LEU 103 Ca 0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1ik0 h LEU 103 Cb 0.85 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ik0 h LEU 103 CO 0.08 -0.03 -0.14 0.07 0.09 0.00 0.00 178.44 178.51 1ik0 h LYS 104 N -0.02 0.00 0.01 1.13 2.10 -1.53 -3.16 116.57 115.10 1ik0 h LYS 104 Ca 0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1ik0 h LYS 104 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1ik0 h LYS 104 CO -0.05 0.14 -0.01 -0.22 -2.00 0.00 0.00 179.45 177.31 1ik0 h LYS 105 N 0.00 -0.02 0.00 0.07 3.64 -0.75 -2.85 116.57 116.66 1ik0 h LYS 105 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1ik0 h LYS 105 Cb 0.55 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ik0 h LYS 105 CO 0.02 0.29 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.39 1ik0 h LEU 106 N -0.32 0.00 -0.92 5.20 -0.00 -1.43 -2.63 115.31 115.20 1ik0 h LEU 106 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1ik0 h LEU 106 Cb 0.31 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.93 1ik0 h LEU 106 CO 0.00 0.03 0.61 0.15 -0.00 0.00 0.00 178.44 179.23 1ik0 h PHE 107 N 0.00 1.15 -0.11 1.13 3.57 -1.54 -1.52 116.94 119.62 1ik0 h PHE 107 Ca -0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1ik0 h PHE 107 Cb 0.07 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1ik0 h PHE 107 CO 0.00 0.72 -0.19 0.00 -2.23 0.00 0.00 178.31 176.61 1ik0 h ARG 108 N 1.24 0.18 0.00 1.11 3.08 -1.54 -2.09 114.38 116.36 1ik0 h ARG 108 Ca 0.34 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1ik0 h ARG 108 Cb -0.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1ik0 h ARG 108 CO -0.08 0.37 -0.29 0.39 -1.07 0.00 0.00 179.97 179.29 1ik0 n GLU 109 N -4.24 0.20 -0.80 0.04 1.02 -0.84 -4.89 120.64 111.13 1ik0 n GLU 109 Ca -0.01 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1ik0 n GLU 109 Cb 0.30 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.37 0.28 3.41 0.62 0.00 -0.63 -4.90 105.19 105.33 1ik0 n GLY 110 Ca 0.05 0.00 -0.45 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 -0.91 3.37 0.20 1.61 0.52 -1.24 -5.02 118.95 117.49 1ik0 s ARG 111 Ca 0.00 -1.63 -0.13 0.00 -0.52 0.00 0.00 55.73 53.45 1ik0 s ARG 111 Cb 0.00 -4.54 -0.07 0.00 0.52 0.00 0.00 34.95 30.86 1ik0 s ARG 111 CO 0.00 -1.62 0.58 -0.06 0.02 0.00 0.00 175.30 174.22 1ik0 s PHE 112 N 2.41 3.52 0.00 -0.53 0.08 -1.26 -4.88 117.98 117.32 1ik0 s PHE 112 Ca 0.22 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.31 1ik0 s PHE 112 Cb -0.13 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1ik0 s PHE 112 CO -0.02 0.33 0.00 0.09 -0.10 0.00 0.00 175.22 175.52