#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ck3 h PRO 27 N 0.00 0.31 -0.47 1.57 0.11 -1.98 -1.98 132.00 129.57 1ck3 h PRO 27 Ca 0.00 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.11 1ck3 h PRO 27 Cb 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1ck3 h PRO 27 CO 0.00 0.21 0.31 0.93 -0.21 0.00 0.00 178.00 179.24 1ck3 h GLU 28 N 0.32 0.56 -0.11 1.05 4.39 -2.00 -0.60 114.58 118.20 1ck3 h GLU 28 Ca 0.22 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 1ck3 h GLU 28 Cb 0.45 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1ck3 h GLU 28 CO -0.05 0.37 -0.34 1.15 -1.16 0.00 0.00 179.01 178.98 1ck3 h THR 29 N 0.58 1.28 -0.02 1.13 2.02 -1.66 -2.32 112.91 113.92 1ck3 h THR 29 Ca 0.18 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.94 1ck3 h THR 29 Cb 0.02 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1ck3 h THR 29 CO -0.04 0.40 -0.36 -0.07 0.37 0.00 0.00 175.52 175.81 1ck3 h LEU 30 N 0.18 0.04 -0.66 2.58 3.38 -1.15 -1.80 115.31 117.87 1ck3 h LEU 30 Ca 0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1ck3 h LEU 30 Cb 0.70 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1ck3 h LEU 30 CO 0.05 0.40 0.14 0.58 0.09 0.00 0.00 178.44 179.70 1ck3 h VAL 31 N 0.03 1.26 -0.32 1.22 2.07 -1.04 -1.18 116.25 118.29 1ck3 h VAL 31 Ca 0.00 -0.98 -0.14 0.00 0.82 0.00 0.00 66.70 66.40 1ck3 h VAL 31 Cb 0.66 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1ck3 h VAL 31 CO 0.05 0.37 -0.37 0.50 0.02 0.00 0.00 177.57 178.13 1ck3 h LYS 32 N 0.99 0.75 -0.65 1.57 1.63 -1.26 0.40 116.57 120.00 1ck3 h LYS 32 Ca 0.20 -0.38 -0.07 0.00 -0.85 0.00 0.00 60.65 59.56 1ck3 h LYS 32 Cb 0.39 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 1ck3 h LYS 32 CO 0.01 1.00 0.15 0.28 -3.45 0.00 0.00 179.45 177.44 1ck3 h VAL 33 N 0.62 1.26 -0.54 2.00 2.07 -1.09 0.33 116.25 120.91 1ck3 h VAL 33 Ca 0.06 -0.95 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 1ck3 h VAL 33 Cb 0.92 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1ck3 h VAL 33 CO 0.08 0.36 -0.10 0.50 0.02 0.00 0.00 177.57 178.43 1ck3 h LYS 34 N 0.96 1.02 -0.85 1.57 3.11 -1.04 -1.54 116.57 119.80 1ck3 h LYS 34 Ca 0.20 -0.38 -0.03 0.00 -2.81 0.00 0.00 60.65 57.63 1ck3 h LYS 34 Cb 0.37 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.50 1ck3 h LYS 34 CO 0.00 1.06 0.40 0.22 -2.81 0.00 0.00 179.45 178.33 1ck3 h ASP 35 N 0.89 1.12 -0.29 4.20 3.58 -0.44 -1.98 116.42 123.51 1ck3 h ASP 35 Ca 0.14 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1ck3 h ASP 35 Cb 0.67 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 1ck3 h ASP 35 CO 0.05 0.95 0.19 0.00 -2.88 0.00 0.00 179.24 177.54 1ck3 h ALA 36 N 1.22 0.37 -0.66 -0.78 0.00 0.09 0.21 119.26 119.71 1ck3 h ALA 36 Ca 0.29 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1ck3 h ALA 36 Cb 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ck3 h ALA 36 CO -0.04 -0.18 0.44 0.93 0.00 0.00 0.00 179.25 180.41 1ck3 h GLU 37 N 0.38 0.80 -0.06 0.00 5.08 -0.87 0.98 114.58 120.88 1ck3 h GLU 37 Ca 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1ck3 h GLU 37 Cb -0.03 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1ck3 h GLU 37 CO -0.03 0.53 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.04 1ck3 h ASP 38 N 0.82 0.14 -0.31 1.42 3.32 -0.65 0.16 116.42 121.32 1ck3 h ASP 38 Ca 0.26 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1ck3 h ASP 38 Cb 0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1ck3 h ASP 38 CO -0.07 0.51 0.16 1.56 -1.72 0.00 0.00 179.24 179.69 1ck3 h GLN 39 N -0.24 0.45 0.00 3.56 1.08 -0.51 -3.06 115.11 116.39 1ck3 h GLN 39 Ca 0.01 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1ck3 h GLN 39 Cb 0.46 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1ck3 h GLN 39 CO 0.01 0.40 -0.21 -0.07 -0.95 0.00 0.00 178.83 178.01 1ck3 h LEU 40 N 0.38 0.00 -1.82 1.46 3.38 -0.88 -3.48 115.31 114.36 1ck3 h LEU 40 Ca 0.11 -0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.73 1ck3 h LEU 40 Cb 0.09 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.01 1ck3 h LEU 40 CO -0.02 0.02 -0.79 0.61 0.09 0.00 0.00 178.44 178.35 1ck3 n GLY 41 N 1.22 -0.51 3.81 0.83 0.00 0.53 -4.21 105.19 106.86 1ck3 n GLY 41 Ca 0.04 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 1ck3 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ck3 s ALA 42 N -3.38 -1.47 0.37 4.61 0.00 -0.99 -4.45 121.76 116.46 1ck3 s ALA 42 Ca 0.09 -0.19 -0.24 0.00 0.00 0.00 0.00 51.96 51.62 1ck3 s ALA 42 Cb -0.01 0.70 -0.10 0.00 0.00 0.00 0.00 23.12 23.71 1ck3 s ALA 42 CO 0.74 -1.04 0.95 1.03 0.00 0.00 0.00 175.76 177.44 1ck3 s ARG 43 N -2.82 4.41 -0.13 0.00 0.52 -1.22 -4.45 118.95 115.26 1ck3 s ARG 43 Ca 0.16 1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 56.60 1ck3 s ARG 43 Cb -0.03 -2.52 0.04 0.00 0.52 0.00 0.00 34.95 32.97 1ck3 s ARG 43 CO 0.05 0.12 0.02 0.08 0.02 0.00 0.00 175.30 175.60 1ck3 s VAL 44 N -1.86 0.38 -0.12 3.52 1.01 -1.26 -3.06 120.40 119.01 1ck3 s VAL 44 Ca 0.56 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1ck3 s VAL 44 Cb -0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1ck3 s VAL 44 CO 0.19 0.03 0.41 -0.83 0.00 0.00 0.00 175.10 174.90 1ck3 s GLY 45 N 1.95 2.34 0.01 4.51 0.00 0.20 -4.66 107.32 111.68 1ck3 s GLY 45 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1ck3 s GLY 45 CO -0.07 0.61 -0.04 -0.47 0.00 0.00 0.00 173.10 173.13 1ck3 s TYR 46 N 0.43 0.39 -0.24 1.90 5.04 0.35 -1.22 117.35 123.99 1ck3 s TYR 46 Ca 0.23 -0.22 -0.14 0.00 -2.44 0.00 0.00 57.07 54.50 1ck3 s TYR 46 Cb -0.15 -0.24 0.07 0.00 0.35 0.00 0.00 41.96 41.99 1ck3 s TYR 46 CO 0.09 -0.05 0.59 -1.50 -1.34 0.00 0.00 175.55 173.34 1ck3 s ILE 47 N -0.55 -0.01 -0.21 3.14 -1.16 -0.88 -0.25 121.20 121.28 1ck3 s ILE 47 Ca -0.03 0.03 -0.00 0.00 -0.51 0.00 0.00 60.65 60.13 1ck3 s ILE 47 Cb -0.04 -0.86 0.02 0.00 0.61 0.00 0.00 42.46 42.19 1ck3 s ILE 47 CO -0.00 0.01 -0.13 -0.70 -2.81 0.00 0.00 174.94 171.31 1ck3 s GLU 48 N 1.42 2.94 -0.01 3.50 2.12 -0.12 -1.51 118.70 127.04 1ck3 s GLU 48 Ca -0.09 -0.89 0.07 0.00 0.36 0.00 0.00 54.97 54.43 1ck3 s GLU 48 Cb -0.06 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 1ck3 s GLU 48 CO -0.15 -0.29 -0.22 -1.17 -0.54 0.00 0.00 175.26 172.89 1ck3 s LEU 49 N 1.31 2.34 -0.37 2.70 2.96 0.17 -0.50 118.68 127.29 1ck3 s LEU 49 Ca 0.03 -0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 53.25 1ck3 s LEU 49 Cb -0.15 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 45.15 1ck3 s LEU 49 CO -0.09 0.31 1.03 -0.62 -1.32 0.00 0.00 176.35 175.66 1ck3 s ASP 50 N -0.88 6.77 0.36 3.68 2.15 -0.47 0.51 116.67 128.79 1ck3 s ASP 50 Ca 0.11 0.75 0.09 0.00 0.43 0.00 0.00 52.55 53.94 1ck3 s ASP 50 Cb -0.10 -2.51 0.82 0.00 -0.30 0.00 0.00 42.92 40.83 1ck3 s ASP 50 CO 0.01 -0.94 1.88 0.25 -0.17 0.00 0.00 175.17 176.19 1ck3 h LEU 51 N 10.30 0.64 0.00 -1.34 5.85 -1.76 0.29 115.31 129.30 1ck3 h LEU 51 Ca -0.22 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ck3 h LEU 51 Cb 1.07 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1ck3 h LEU 51 CO 1.03 0.33 0.00 -3.20 -0.34 0.00 0.00 178.44 176.27 1ck3 n ASN 52 N -4.55 0.00 0.24 1.25 2.85 -1.26 -4.33 115.26 109.46 1ck3 n ASN 52 Ca 0.17 0.39 0.13 0.00 -0.11 0.00 0.00 54.58 55.15 1ck3 n ASN 52 Cb 0.45 -0.10 0.46 0.00 1.24 0.00 0.00 39.78 41.83 1ck3 n ASN 52 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1ck3 h SER 53 N 0.00 0.00 0.00 1.20 4.64 -1.96 -3.47 113.55 113.96 1ck3 h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ck3 h SER 53 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ck3 h SER 53 CO 0.00 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1ck3 n GLY 54 N 0.37 0.57 3.73 -0.77 0.00 0.09 -5.02 105.19 104.16 1ck3 n GLY 54 Ca 0.01 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1ck3 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ck3 s LYS 55 N -0.38 4.63 -0.34 1.61 -2.85 -1.25 -4.74 119.74 116.41 1ck3 s LYS 55 Ca 0.00 1.63 -0.29 0.00 -1.00 0.00 0.00 55.97 56.31 1ck3 s LYS 55 Cb 0.00 -3.31 0.01 0.00 -2.06 0.00 0.00 37.83 32.47 1ck3 s LYS 55 CO 0.00 0.12 1.26 0.42 0.10 0.00 0.00 175.35 177.25 1ck3 s ILE 56 N -0.16 4.17 -0.01 3.79 1.01 -1.26 -1.37 121.20 127.37 1ck3 s ILE 56 Ca 0.49 1.29 -0.19 0.00 0.00 0.00 0.00 60.65 62.23 1ck3 s ILE 56 Cb -0.27 -4.26 -0.33 0.00 0.01 0.00 0.00 42.46 37.61 1ck3 s ILE 56 CO 0.33 -0.59 0.95 -0.07 0.00 0.00 0.00 174.94 175.56 1ck3 h LEU 57 N 11.00 0.63 -7.32 2.97 3.38 -1.14 -3.48 115.31 121.35 1ck3 h LEU 57 Ca -0.25 -0.93 -0.08 0.00 0.09 0.00 0.00 57.88 56.72 1ck3 h LEU 57 Cb 1.09 -0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 1ck3 h LEU 57 CO 1.05 1.51 -0.07 -0.70 0.09 0.00 0.00 178.44 180.33 1ck3 s GLU 58 N -2.56 0.93 0.06 1.13 2.56 -1.10 -4.65 118.70 115.07 1ck3 s GLU 58 Ca -0.12 -0.27 -0.25 0.00 0.00 0.00 0.00 54.97 54.33 1ck3 s GLU 58 Cb 0.02 0.42 0.06 0.00 2.00 0.00 0.00 34.13 36.64 1ck3 s GLU 58 CO 0.88 -0.32 0.58 -1.54 -0.56 0.00 0.00 175.26 174.30 1ck3 s SER 59 N -1.87 -0.53 -0.20 -1.70 1.04 -1.26 -0.94 113.70 108.23 1ck3 s SER 59 Ca -0.06 0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.55 1ck3 s SER 59 Cb -0.01 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.73 1ck3 s SER 59 CO -0.01 -0.77 0.43 0.12 0.98 0.00 0.00 173.24 174.00 1ck3 s PHE 60 N -2.51 -0.79 -1.49 5.02 5.36 0.65 -4.88 117.98 119.34 1ck3 s PHE 60 Ca -0.05 1.53 -0.06 0.00 -0.96 0.00 0.00 56.93 57.39 1ck3 s PHE 60 Cb -0.01 0.33 0.05 0.00 -0.34 0.00 0.00 43.02 43.05 1ck3 s PHE 60 CO -0.02 -0.46 0.57 0.54 -1.46 0.00 0.00 175.22 174.38 1ck3 n ARG 61 N 5.14 -3.50 0.25 10.12 1.74 -1.26 -0.50 116.66 128.65 1ck3 n ARG 61 Ca -0.12 0.42 0.10 0.00 -0.77 0.00 0.00 57.85 57.48 1ck3 n ARG 61 Cb 0.51 -4.77 0.65 0.00 -1.02 0.00 0.00 32.46 27.83 1ck3 n ARG 61 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1ck3 h PRO 62 N -1.78 0.00 -0.30 5.56 0.13 -1.90 -3.06 132.00 130.66 1ck3 h PRO 62 Ca -0.62 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.42 1ck3 h PRO 62 Cb 1.38 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 1ck3 h PRO 62 CO 0.67 0.14 -0.02 0.39 -0.23 0.00 0.00 178.00 178.95 1ck3 n GLU 63 N -3.89 2.34 -3.95 0.86 1.02 -1.26 -1.78 120.64 113.98 1ck3 n GLU 63 Ca -0.02 -2.98 -0.32 0.00 -0.02 0.00 0.00 57.16 53.82 1ck3 n GLU 63 Cb 0.24 -1.82 -0.05 0.00 -0.02 0.00 0.00 31.44 29.79 1ck3 n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ck3 s GLU 64 N -3.03 3.33 0.19 3.49 2.02 -1.16 -5.01 118.70 118.54 1ck3 s GLU 64 Ca 0.43 -0.44 -0.26 0.00 0.02 0.00 0.00 54.97 54.72 1ck3 s GLU 64 Cb 0.37 -3.00 -0.08 0.00 0.10 0.00 0.00 34.13 31.52 1ck3 s GLU 64 CO 0.05 0.63 0.82 1.03 0.02 0.00 0.00 175.26 177.81 1ck3 s ARG 65 N -2.21 4.64 0.01 1.61 0.52 -1.26 -4.16 118.95 118.11 1ck3 s ARG 65 Ca 0.30 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 1ck3 s ARG 65 Cb -0.13 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 1ck3 s ARG 65 CO 0.22 0.55 -0.03 -0.06 0.02 0.00 0.00 175.30 176.01 1ck3 s PHE 66 N -1.17 0.24 0.17 -0.53 0.08 -0.12 -4.95 117.98 111.70 1ck3 s PHE 66 Ca 0.37 -0.32 -0.32 0.00 0.12 0.00 0.00 56.93 56.79 1ck3 s PHE 66 Cb -0.24 -0.16 -0.10 0.00 -0.57 0.00 0.00 43.02 41.94 1ck3 s PHE 66 CO 0.28 -0.10 1.62 -2.14 -0.10 0.00 0.00 175.22 174.77 1ck3 s PRO 67 N -0.90 4.19 0.08 0.24 0.02 -1.26 -1.47 135.00 135.89 1ck3 s PRO 67 Ca -0.09 2.42 -0.18 0.00 0.02 0.00 0.00 61.00 63.18 1ck3 s PRO 67 Cb -0.06 -3.18 -0.09 0.00 0.02 0.00 0.00 34.50 31.19 1ck3 s PRO 67 CO -0.00 -0.66 1.46 0.52 -0.33 0.00 0.00 177.00 177.99 1ck3 h MET 68 N 6.96 0.50 0.00 5.54 2.86 -1.64 -3.47 114.93 125.69 1ck3 h MET 68 Ca -0.43 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1ck3 h MET 68 Cb 1.20 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1ck3 h MET 68 CO 0.93 0.74 0.00 -1.33 1.06 0.00 0.00 176.91 178.31 1ck3 n MET 69 N -4.52 0.00 0.08 1.72 2.81 -1.26 -2.81 117.12 113.14 1ck3 n MET 69 Ca -0.04 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.94 1ck3 n MET 69 Cb 0.32 0.00 0.40 0.00 -0.71 0.00 0.00 33.22 33.24 1ck3 n MET 69 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ck3 n SER 70 N 0.80 0.39 0.33 7.83 7.64 -1.26 -2.90 113.62 126.44 1ck3 n SER 70 Ca 0.00 0.62 0.22 0.00 1.01 0.00 0.00 58.87 60.71 1ck3 n SER 70 Cb 0.00 -0.69 1.11 0.00 -1.01 0.00 0.00 64.21 63.62 1ck3 n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1ck3 h THR 71 N 0.00 0.02 0.00 0.44 1.35 -1.56 -0.58 112.91 112.58 1ck3 h THR 71 Ca 0.00 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 1ck3 h THR 71 Cb 0.23 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1ck3 h THR 71 CO 0.00 0.00 -0.10 2.19 -0.25 0.00 0.00 175.52 177.36 1ck3 h PHE 72 N 0.00 0.00 -0.03 4.73 -5.15 -1.73 -2.92 116.94 111.84 1ck3 h PHE 72 Ca -0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 1ck3 h PHE 72 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.27 1ck3 h PHE 72 CO 0.00 0.10 0.04 0.87 -2.00 0.00 0.00 178.31 177.32 1ck3 h LYS 73 N 0.00 0.00 -0.22 6.09 1.57 -1.35 0.22 116.57 122.88 1ck3 h LYS 73 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1ck3 h LYS 73 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1ck3 h LYS 73 CO 0.01 0.00 -0.67 0.28 -0.57 0.00 0.00 179.45 178.51 1ck3 h VAL 74 N 0.00 1.27 -0.31 0.50 2.07 -1.71 -2.34 116.25 115.74 1ck3 h VAL 74 Ca 0.02 -1.85 -0.15 0.00 0.82 0.00 0.00 66.70 65.53 1ck3 h VAL 74 Cb 0.09 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1ck3 h VAL 74 CO -0.00 0.60 -0.43 -0.07 0.02 0.00 0.00 177.57 177.69 1ck3 h LEU 75 N 0.61 0.83 0.04 2.57 3.38 -1.14 -1.34 115.31 120.26 1ck3 h LEU 75 Ca -0.02 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1ck3 h LEU 75 Cb 1.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1ck3 h LEU 75 CO 0.14 1.14 -0.10 0.25 0.09 0.00 0.00 178.44 179.96 1ck3 h LEU 76 N 0.62 -0.29 -0.78 1.67 5.85 -0.60 -0.41 115.31 121.38 1ck3 h LEU 76 Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ck3 h LEU 76 Cb 0.99 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1ck3 h LEU 76 CO 0.09 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 178.04 1ck3 h GLY 78 N 2.62 0.96 1.40 0.00 0.00 0.03 -0.91 103.07 107.15 1ck3 h GLY 78 Ca 0.00 -1.02 -0.20 0.00 0.00 0.00 0.00 47.33 46.11 1ck3 h GLY 78 CO 0.00 0.92 -0.73 0.00 0.00 0.00 0.00 176.54 176.73 1ck3 h ALA 79 N 0.73 0.48 -0.45 3.60 0.00 -0.48 -2.40 119.26 120.75 1ck3 h ALA 79 Ca 0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1ck3 h ALA 79 Cb 1.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1ck3 h ALA 79 CO 0.10 0.72 0.16 0.28 0.00 0.00 0.00 179.25 180.50 1ck3 h VAL 80 N 0.41 1.21 -0.13 0.00 2.07 -1.11 -2.56 116.25 116.15 1ck3 h VAL 80 Ca -0.03 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1ck3 h VAL 80 Cb 1.32 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1ck3 h VAL 80 CO 0.14 0.25 -0.23 -0.07 0.02 0.00 0.00 177.57 177.67 1ck3 h LEU 81 N 0.58 0.22 -1.17 2.57 3.38 -1.14 -1.58 115.31 118.17 1ck3 h LEU 81 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1ck3 h LEU 81 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ck3 h LEU 81 CO -0.01 0.46 0.05 -1.28 0.09 0.00 0.00 178.44 177.76 1ck3 h SER 82 N 0.21 0.58 1.02 -0.43 0.87 -1.11 -0.63 113.55 114.06 1ck3 h SER 82 Ca 0.03 -0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.36 1ck3 h SER 82 Cb 0.53 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1ck3 h SER 82 CO 0.04 0.62 -0.64 0.03 -0.53 0.00 0.00 176.83 176.35 1ck3 h ARG 83 N 0.60 0.00 -0.34 2.24 3.08 -1.02 -2.20 114.38 116.75 1ck3 h ARG 83 Ca 0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1ck3 h ARG 83 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1ck3 h ARG 83 CO 0.01 0.64 -0.12 0.82 -1.07 0.00 0.00 179.97 180.24 1ck3 h ILE 84 N 0.00 1.28 -0.59 2.04 1.08 -0.49 -0.69 117.51 120.15 1ck3 h ILE 84 Ca -0.01 -1.21 -0.06 0.00 -0.39 0.00 0.00 64.86 63.19 1ck3 h ILE 84 Cb 1.32 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 1ck3 h ILE 84 CO 0.08 0.39 0.12 0.44 -0.69 0.00 0.00 178.15 178.49 1ck3 h ASP 85 N 0.45 0.88 0.76 1.72 3.32 -1.07 -2.45 116.42 120.03 1ck3 h ASP 85 Ca 0.08 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ck3 h ASP 85 Cb 0.64 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ck3 h ASP 85 CO 0.04 0.87 0.00 0.00 -1.72 0.00 0.00 179.24 178.43 1ck3 n ALA 86 N -2.46 2.10 -0.83 3.45 0.00 -0.84 -4.89 120.51 117.04 1ck3 n ALA 86 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ck3 n ALA 86 Cb 0.25 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1ck3 n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ck3 n GLY 87 N 0.91 0.77 0.00 0.00 0.00 -0.89 -4.89 105.19 101.10 1ck3 n GLY 87 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1ck3 n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ck3 n GLN 88 N -2.37 0.00 -3.89 1.61 6.02 -0.34 -4.88 117.38 113.53 1ck3 n GLN 88 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1ck3 n GLN 88 Cb 0.00 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.67 1ck3 n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ck3 s GLU 89 N -3.00 0.69 0.01 -1.09 2.56 -0.76 -4.95 118.70 112.17 1ck3 s GLU 89 Ca 0.13 -0.79 0.06 0.00 0.00 0.00 0.00 54.97 54.36 1ck3 s GLU 89 Cb 0.18 0.28 -0.02 0.00 2.00 0.00 0.00 34.13 36.57 1ck3 s GLU 89 CO 0.60 -0.19 -0.18 -0.65 -0.56 0.00 0.00 175.26 174.28 1ck3 s GLN 90 N -2.99 1.34 0.36 4.30 1.11 -1.26 -4.23 119.66 118.28 1ck3 s GLN 90 Ca -0.02 -0.76 0.11 0.00 0.01 0.00 0.00 55.36 54.70 1ck3 s GLN 90 Cb 0.01 -1.35 0.69 0.00 -1.01 0.00 0.00 33.01 31.34 1ck3 s GLN 90 CO -0.06 0.36 1.82 -0.07 0.01 0.00 0.00 175.29 177.35 1ck3 h LEU 91 N 5.29 0.09 -1.33 2.90 3.38 -1.95 -3.05 115.31 120.64 1ck3 h LEU 91 Ca -0.39 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1ck3 h LEU 91 Cb 1.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1ck3 h LEU 91 CO 0.46 0.42 0.00 0.61 0.09 0.00 0.00 178.44 180.02 1ck3 n GLY 92 N -0.49 0.46 3.68 0.83 0.00 -1.26 -0.50 105.19 107.90 1ck3 n GLY 92 Ca -0.02 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1ck3 n GLY 92 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ck3 s ARG 93 N -1.87 4.20 -0.00 1.61 3.52 -1.15 -4.74 118.95 120.52 1ck3 s ARG 93 Ca 0.35 2.25 -0.30 0.00 -0.13 0.00 0.00 55.73 57.90 1ck3 s ARG 93 Cb 0.20 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1ck3 s ARG 93 CO 0.30 -0.76 1.07 0.50 -0.81 0.00 0.00 175.30 175.60 1ck3 s ARG 94 N 3.14 4.49 -0.18 5.12 6.06 -1.26 -1.74 118.95 134.58 1ck3 s ARG 94 Ca 0.73 1.54 -0.01 0.00 -2.50 0.00 0.00 55.73 55.50 1ck3 s ARG 94 Cb -0.37 -3.45 0.00 0.00 0.06 0.00 0.00 34.95 31.20 1ck3 s ARG 94 CO 0.31 -0.18 -0.14 0.42 -2.50 0.00 0.00 175.30 173.21 1ck3 s ILE 95 N 1.26 2.64 -0.08 4.11 1.01 0.14 -4.94 121.20 125.34 1ck3 s ILE 95 Ca 0.54 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 1ck3 s ILE 95 Cb -0.23 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1ck3 s ILE 95 CO 0.27 0.50 0.15 -1.00 0.00 0.00 0.00 174.94 174.85 1ck3 s HIS 96 N 1.16 3.56 0.14 3.97 3.76 -1.26 -1.79 115.29 124.84 1ck3 s HIS 96 Ca 0.01 0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 55.34 1ck3 s HIS 96 Cb -0.14 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 1ck3 s HIS 96 CO -0.06 0.70 0.13 1.52 -0.85 0.00 0.00 174.74 176.18 1ck3 s TYR 97 N -1.13 0.71 0.47 1.40 1.13 -1.26 -5.06 117.35 113.61 1ck3 s TYR 97 Ca 0.19 -1.08 0.02 0.00 -1.41 0.00 0.00 57.07 54.80 1ck3 s TYR 97 Cb -0.12 -0.34 0.02 0.00 -1.10 0.00 0.00 41.96 40.42 1ck3 s TYR 97 CO 0.09 -0.58 0.19 -1.13 -2.51 0.00 0.00 175.55 171.61 1ck3 n SER 98 N -0.13 2.89 0.30 -0.18 3.41 -1.26 -4.87 113.62 113.78 1ck3 n SER 98 Ca -0.06 -2.83 0.18 0.00 -0.26 0.00 0.00 58.87 55.90 1ck3 n SER 98 Cb 0.63 0.13 0.89 0.00 -0.26 0.00 0.00 64.21 65.60 1ck3 n SER 98 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1ck3 h GLN 99 N 0.00 0.00 0.00 4.33 -0.00 -1.98 -2.20 115.11 115.26 1ck3 h GLN 99 Ca -0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.28 1ck3 h GLN 99 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.61 1ck3 h GLN 99 CO 0.55 0.03 -0.13 -0.91 -0.00 0.00 0.00 178.83 178.38 1ck3 h ASN 100 N 0.00 0.00 1.06 0.06 2.35 -2.05 -2.84 115.58 114.16 1ck3 h ASN 100 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ck3 h ASN 100 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1ck3 h ASN 100 CO 0.00 0.13 -0.58 0.44 -1.65 0.00 0.00 177.43 175.77 1ck3 h ASP 101 N 0.00 0.00 -2.98 5.81 3.32 -1.79 -3.47 116.42 117.32 1ck3 h ASP 101 Ca -0.00 -0.13 -0.54 0.00 0.02 0.00 0.00 57.03 56.38 1ck3 h ASP 101 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1ck3 h ASP 101 CO 0.02 0.06 0.77 -0.76 -1.72 0.00 0.00 179.24 177.61 1ck3 s LEU 102 N -4.68 4.33 0.49 1.55 1.43 -1.07 -4.86 118.68 115.87 1ck3 s LEU 102 Ca 0.05 2.11 0.04 0.00 -1.03 0.00 0.00 54.13 55.31 1ck3 s LEU 102 Cb 0.12 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 1ck3 s LEU 102 CO 0.72 -0.66 0.18 0.68 0.23 0.00 0.00 176.35 177.49 1ck3 s VAL 103 N 1.99 1.65 0.59 -1.59 -7.23 -1.26 -5.08 120.40 109.47 1ck3 s VAL 103 Ca 0.63 -1.76 -0.20 0.00 -1.81 0.00 0.00 61.98 58.84 1ck3 s VAL 103 Cb -0.31 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1ck3 s VAL 103 CO 0.27 0.00 1.26 -1.84 -0.31 0.00 0.00 175.10 174.48 1ck3 n GLU 104 N -1.40 1.34 -3.12 4.82 0.28 -1.26 -4.06 120.64 117.24 1ck3 n GLU 104 Ca -0.08 0.51 -0.13 0.00 -0.16 0.00 0.00 57.16 57.29 1ck3 n GLU 104 Cb 0.65 -2.48 0.01 0.00 1.43 0.00 0.00 31.44 31.05 1ck3 n GLU 104 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1ck3 n TYR 105 N -1.46 -3.07 -3.19 -1.84 9.36 -1.26 -4.53 117.16 111.16 1ck3 n TYR 105 Ca 0.13 1.23 -0.21 0.00 3.32 0.00 0.00 57.90 62.37 1ck3 n TYR 105 Cb 0.46 -3.56 -0.05 0.00 -0.63 0.00 0.00 39.34 35.56 1ck3 n TYR 105 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1ck3 n SER 106 N -0.91 0.65 -0.02 2.98 7.64 -1.26 -1.42 113.62 121.28 1ck3 n SER 106 Ca 0.01 -2.87 0.13 0.00 1.01 0.00 0.00 58.87 57.14 1ck3 n SER 106 Cb 0.53 -0.63 0.55 0.00 -1.01 0.00 0.00 64.21 63.66 1ck3 n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ck3 h PRO 107 N 3.53 0.27 0.03 1.43 0.13 -1.94 -2.72 132.00 132.72 1ck3 h PRO 107 Ca 0.09 -0.02 -0.37 0.00 -0.87 0.00 0.00 66.00 64.83 1ck3 h PRO 107 Cb 0.91 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.93 1ck3 h PRO 107 CO 0.49 0.18 -2.08 0.28 -0.23 0.00 0.00 178.00 176.64 1ck3 n VAL 108 N -4.46 1.58 0.23 1.56 0.31 -1.26 -4.45 118.33 111.84 1ck3 n VAL 108 Ca 0.08 -0.40 0.07 0.00 -0.01 0.00 0.00 64.34 64.09 1ck3 n VAL 108 Cb 0.38 -1.78 0.56 0.00 -0.91 0.00 0.00 33.84 32.08 1ck3 n VAL 108 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1ck3 h THR 109 N -0.53 0.99 0.00 2.52 1.35 -1.98 -2.59 112.91 112.67 1ck3 h THR 109 Ca -0.52 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1ck3 h THR 109 Cb 1.69 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1ck3 h THR 109 CO -0.18 0.17 0.00 1.05 -0.25 0.00 0.00 175.52 176.31 1ck3 h GLU 110 N 0.00 0.00 -0.01 4.72 4.11 -1.71 -2.97 114.58 118.72 1ck3 h GLU 110 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ck3 h GLU 110 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ck3 h GLU 110 CO 0.02 0.00 -0.27 1.63 0.07 0.00 0.00 179.01 180.46 1ck3 n LYS 111 N -2.97 0.86 -1.74 1.06 4.01 -0.97 -4.27 118.16 114.14 1ck3 n LYS 111 Ca 0.01 -0.53 -0.07 0.00 -0.51 0.00 0.00 58.31 57.22 1ck3 n LYS 111 Cb 0.33 -1.49 0.08 0.00 -0.51 0.00 0.00 35.03 33.44 1ck3 n LYS 111 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1ck3 n HIS 112 N -0.61 1.32 -0.30 2.13 8.25 -1.12 -4.84 115.22 120.04 1ck3 n HIS 112 Ca 0.12 -1.77 -0.03 0.00 -0.26 0.00 0.00 57.72 55.78 1ck3 n HIS 112 Cb 0.36 -0.27 0.08 0.00 1.12 0.00 0.00 29.99 31.28 1ck3 n HIS 112 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ck3 h LEU 113 N 1.79 0.93 0.15 2.41 3.38 -1.74 0.39 115.31 122.62 1ck3 h LEU 113 Ca 0.08 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.72 1ck3 h LEU 113 Cb 1.39 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ck3 h LEU 113 CO 0.34 0.67 -1.48 0.71 0.09 0.00 0.00 178.44 178.77 1ck3 h THR 114 N 1.10 1.23 0.02 0.22 1.35 -1.89 -3.36 112.91 111.57 1ck3 h THR 114 Ca 0.31 -2.82 -0.20 0.00 -0.55 0.00 0.00 66.41 63.15 1ck3 h THR 114 Cb -0.10 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 1ck3 h THR 114 CO -0.08 0.84 -0.93 0.44 -0.25 0.00 0.00 175.52 175.54 1ck3 h ASP 115 N 0.09 0.19 -4.09 5.36 5.19 -1.87 -3.50 116.42 117.77 1ck3 h ASP 115 Ca -0.23 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1ck3 h ASP 115 Cb 2.04 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.49 1ck3 h ASP 115 CO 0.19 1.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.93 1ck3 n GLY 116 N 1.02 -2.17 3.38 2.75 0.00 0.14 -5.00 105.19 105.31 1ck3 n GLY 116 Ca -0.03 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 1ck3 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ck3 s MET 117 N -0.24 0.70 0.78 1.61 -1.94 -0.74 -4.85 119.30 114.62 1ck3 s MET 117 Ca 0.00 0.39 -0.12 0.00 -1.71 0.00 0.00 55.69 54.25 1ck3 s MET 117 Cb 0.00 0.33 0.06 0.00 2.01 0.00 0.00 34.83 37.23 1ck3 s MET 117 CO 0.00 -0.15 1.15 0.95 -0.01 0.00 0.00 175.02 176.97 1ck3 s THR 118 N -0.41 2.41 0.29 2.05 -4.23 -1.26 0.28 115.64 114.76 1ck3 s THR 118 Ca -0.06 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.57 1ck3 s THR 118 Cb -0.03 -3.13 0.17 0.00 1.34 0.00 0.00 72.50 70.85 1ck3 s THR 118 CO 0.03 -0.17 1.85 0.58 -0.54 0.00 0.00 174.62 176.37 1ck3 h VAL 119 N -0.94 1.22 -0.52 2.29 2.07 -1.13 -0.81 116.25 118.43 1ck3 h VAL 119 Ca -0.46 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1ck3 h VAL 119 Cb 1.31 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1ck3 h VAL 119 CO 0.65 0.28 0.20 -0.09 0.02 0.00 0.00 177.57 178.64 1ck3 h ARG 120 N 0.81 0.78 -0.25 1.57 2.43 -1.09 -2.09 114.38 116.55 1ck3 h ARG 120 Ca 0.18 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1ck3 h ARG 120 Cb 0.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ck3 h ARG 120 CO -0.01 0.69 -0.31 0.93 -1.51 0.00 0.00 179.97 179.77 1ck3 h GLU 121 N 0.71 0.51 -0.48 0.20 5.08 -1.72 -2.01 114.58 116.86 1ck3 h GLU 121 Ca 0.17 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1ck3 h GLU 121 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1ck3 h GLU 121 CO -0.01 0.76 0.00 -0.07 -1.00 0.00 0.00 179.01 178.69 1ck3 h LEU 122 N 0.44 0.83 -0.57 1.33 3.38 -0.93 -0.08 115.31 119.70 1ck3 h LEU 122 Ca 0.05 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 1ck3 h LEU 122 Cb 0.76 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ck3 h LEU 122 CO 0.06 0.93 -0.48 0.00 0.09 0.00 0.00 178.44 179.04 1ck3 h SER 124 N 0.46 0.75 -0.18 0.00 0.87 -1.24 -0.66 113.55 113.56 1ck3 h SER 124 Ca 0.02 -0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 1ck3 h SER 124 Cb 1.01 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1ck3 h SER 124 CO 0.09 0.82 -0.22 0.00 -0.53 0.00 0.00 176.83 176.99 1ck3 h ALA 125 N 0.96 1.00 -0.11 6.23 0.00 -0.85 0.39 119.26 126.89 1ck3 h ALA 125 Ca 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1ck3 h ALA 125 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ck3 h ALA 125 CO 0.01 0.59 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 1ck3 h ALA 126 N 1.20 0.18 0.00 0.00 0.00 -0.80 -0.05 119.26 119.79 1ck3 h ALA 126 Ca 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1ck3 h ALA 126 Cb 0.68 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ck3 h ALA 126 CO 0.05 0.21 -0.08 0.82 0.00 0.00 0.00 179.25 180.25 1ck3 h ILE 127 N -0.05 0.54 -0.51 0.00 2.04 -1.14 -1.89 117.51 116.51 1ck3 h ILE 127 Ca -0.01 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 1ck3 h ILE 127 Cb 0.91 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1ck3 h ILE 127 CO 0.06 0.18 0.11 0.74 0.00 0.00 0.00 178.15 179.25 1ck3 h THR 128 N -1.00 1.24 -0.01 -0.27 2.02 -1.09 -3.29 112.91 110.52 1ck3 h THR 128 Ca -0.01 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1ck3 h THR 128 Cb 0.36 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1ck3 h THR 128 CO -0.01 0.32 -0.44 0.23 0.37 0.00 0.00 175.52 175.99 1ck3 n MET 129 N -4.43 1.84 -2.37 6.66 2.81 -0.99 -2.44 117.12 118.20 1ck3 n MET 129 Ca 0.01 -0.54 -0.20 0.00 -1.81 0.00 0.00 57.70 55.17 1ck3 n MET 129 Cb 0.24 -1.24 -0.01 0.00 -0.71 0.00 0.00 33.22 31.50 1ck3 n MET 129 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ck3 n SER 130 N -0.52 -5.65 -4.66 7.83 2.88 -0.69 -4.91 113.62 107.90 1ck3 n SER 130 Ca 0.05 -0.01 -0.44 0.00 -1.33 0.00 0.00 58.87 57.14 1ck3 n SER 130 Cb 0.30 -4.68 -0.04 0.00 -0.75 0.00 0.00 64.21 59.04 1ck3 n SER 130 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ck3 n ASP 131 N -1.77 3.86 -0.11 -3.46 -0.08 -0.12 -4.91 116.55 109.96 1ck3 n ASP 131 Ca -0.23 0.86 -0.11 0.00 -1.51 0.00 0.00 54.79 53.79 1ck3 n ASP 131 Cb 0.68 -1.48 -0.03 0.00 2.34 0.00 0.00 41.12 42.63 1ck3 n ASP 131 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1ck3 h ASN 132 N 10.57 0.62 -0.44 1.67 2.35 -1.48 -2.90 115.58 125.98 1ck3 h ASN 132 Ca -0.48 -0.37 -0.09 0.00 -0.55 0.00 0.00 56.30 54.81 1ck3 h ASN 132 Cb 1.25 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1ck3 h ASN 132 CO 0.95 0.85 -0.03 0.74 -1.65 0.00 0.00 177.43 178.28 1ck3 h THR 133 N 0.39 1.25 -0.11 2.81 2.02 -1.84 -2.15 112.91 115.29 1ck3 h THR 133 Ca 0.08 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1ck3 h THR 133 Cb 0.58 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1ck3 h THR 133 CO 0.03 0.39 -0.05 0.00 0.37 0.00 0.00 175.52 176.26 1ck3 h ALA 134 N 1.17 1.73 -0.23 6.16 0.00 -1.88 0.99 119.26 127.19 1ck3 h ALA 134 Ca 0.15 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1ck3 h ALA 134 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ck3 h ALA 134 CO 0.03 0.21 -0.46 0.00 0.00 0.00 0.00 179.25 179.02 1ck3 h ALA 135 N 1.81 0.36 -0.52 0.00 0.00 -1.21 -2.05 119.26 117.65 1ck3 h ALA 135 Ca 0.04 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1ck3 h ALA 135 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ck3 h ALA 135 CO 0.01 0.51 -0.06 -0.91 0.00 0.00 0.00 179.25 178.80 1ck3 h ASN 136 N 0.43 0.94 -0.60 0.00 2.35 -0.71 0.17 115.58 118.17 1ck3 h ASN 136 Ca 0.01 -0.33 -0.08 0.00 -0.55 0.00 0.00 56.30 55.34 1ck3 h ASN 136 Cb 1.07 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 1ck3 h ASN 136 CO 0.10 1.05 0.06 -0.07 -1.65 0.00 0.00 177.43 176.92 1ck3 h LEU 137 N 0.82 0.98 -0.58 1.61 3.38 -0.86 -2.29 115.31 118.38 1ck3 h LEU 137 Ca 0.14 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1ck3 h LEU 137 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ck3 h LEU 137 CO 0.04 1.01 -0.47 -0.07 0.09 0.00 0.00 178.44 179.04 1ck3 h LEU 138 N 0.91 0.64 -1.12 1.67 3.38 -1.24 -3.08 115.31 116.46 1ck3 h LEU 138 Ca 0.18 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1ck3 h LEU 138 Cb 0.48 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1ck3 h LEU 138 CO 0.02 1.01 0.60 -0.07 0.09 0.00 0.00 178.44 180.08 1ck3 h LEU 139 N 0.47 0.99 -0.77 1.67 3.38 -0.32 -2.38 115.31 118.34 1ck3 h LEU 139 Ca 0.03 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1ck3 h LEU 139 Cb 1.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1ck3 h LEU 139 CO 0.09 0.69 -0.43 0.71 0.09 0.00 0.00 178.44 179.59 1ck3 h THR 140 N 1.15 1.31 0.00 0.22 1.35 -1.33 0.65 112.91 116.26 1ck3 h THR 140 Ca 0.35 -1.60 -0.04 0.00 -0.55 0.00 0.00 66.41 64.58 1ck3 h THR 140 Cb -0.01 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1ck3 h THR 140 CO -0.10 0.49 -0.19 0.71 -0.25 0.00 0.00 175.52 176.18 1ck3 h THR 141 N 0.33 0.66 -0.01 6.82 1.35 -1.38 -2.87 112.91 117.82 1ck3 h THR 141 Ca 0.03 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1ck3 h THR 141 Cb 0.90 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1ck3 h THR 141 CO 0.08 0.19 -0.58 2.30 -0.25 0.00 0.00 175.52 177.25 1ck3 n ILE 142 N -3.63 0.00 0.00 6.82 -5.35 -1.16 -4.96 119.36 111.09 1ck3 n ILE 142 Ca -0.01 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1ck3 n ILE 142 Cb 0.32 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 1ck3 n ILE 142 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ck3 n GLY 143 N 1.43 1.30 3.94 3.28 0.00 -1.08 -4.77 105.19 109.29 1ck3 n GLY 143 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ck3 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ck3 n GLY 144 N -1.02 -2.15 0.30 -0.02 0.00 0.23 -3.94 105.19 98.57 1ck3 n GLY 144 Ca 0.00 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.63 1ck3 n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ck3 h PRO 145 N 0.00 0.49 -0.94 1.61 0.11 -1.85 -1.91 132.00 129.50 1ck3 h PRO 145 Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.09 1ck3 h PRO 145 Cb 0.02 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 30.97 1ck3 h PRO 145 CO 0.00 0.32 0.62 0.87 -0.21 0.00 0.00 178.00 179.61 1ck3 h LYS 146 N 0.50 1.24 -0.05 1.05 6.56 -1.78 -1.29 116.57 122.80 1ck3 h LYS 146 Ca 0.46 -0.07 -0.20 0.00 -1.06 0.00 0.00 60.65 59.78 1ck3 h LYS 146 Cb 0.72 -0.28 -0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1ck3 h LYS 146 CO -0.41 0.82 -0.81 0.93 -2.06 0.00 0.00 179.45 177.92 1ck3 h GLU 147 N 1.27 0.39 -0.69 3.15 4.39 -1.49 -1.73 114.58 119.88 1ck3 h GLU 147 Ca 0.35 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1ck3 h GLU 147 Cb -0.14 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1ck3 h GLU 147 CO -0.08 1.01 0.15 1.25 -1.16 0.00 0.00 179.01 180.18 1ck3 h LEU 148 N 0.25 1.06 -0.69 1.33 5.85 -1.09 0.19 115.31 122.21 1ck3 h LEU 148 Ca -0.05 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 1ck3 h LEU 148 Cb 1.40 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1ck3 h LEU 148 CO 0.14 1.03 -0.10 0.74 -0.34 0.00 0.00 178.44 179.91 1ck3 h THR 149 N 1.04 1.26 -0.48 1.05 2.02 -1.19 -1.25 112.91 115.36 1ck3 h THR 149 Ca 0.21 -1.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.10 1ck3 h THR 149 Cb 0.39 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1ck3 h THR 149 CO 0.01 0.42 -0.01 0.00 0.37 0.00 0.00 175.52 176.30 1ck3 h ALA 150 N 1.06 1.07 -0.40 6.16 0.00 -0.90 -0.19 119.26 126.06 1ck3 h ALA 150 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ck3 h ALA 150 Cb 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ck3 h ALA 150 CO 0.04 0.58 0.09 0.35 0.00 0.00 0.00 179.25 180.31 1ck3 h PHE 151 N 0.75 0.68 -0.33 0.00 3.57 -0.58 -0.42 116.94 120.61 1ck3 h PHE 151 Ca 0.14 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1ck3 h PHE 151 Cb 0.48 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1ck3 h PHE 151 CO 0.03 0.66 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.44 1ck3 h LEU 152 N 0.51 0.68 -0.29 0.59 3.38 -0.95 -2.92 115.31 116.31 1ck3 h LEU 152 Ca 0.13 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1ck3 h LEU 152 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ck3 h LEU 152 CO 0.00 0.91 -0.07 -0.74 0.09 0.00 0.00 178.44 178.63 1ck3 h HIS 153 N 0.58 0.63 0.00 1.13 2.76 -0.78 -0.39 115.15 119.08 1ck3 h HIS 153 Ca 0.08 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1ck3 h HIS 153 Cb 0.74 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1ck3 h HIS 153 CO 0.03 0.75 0.00 -1.71 -1.30 0.00 0.00 177.93 175.71 1ck3 n ASN 154 N -4.50 0.01 -0.67 3.26 4.05 -0.18 -2.02 115.26 115.22 1ck3 n ASN 154 Ca -0.03 0.50 0.06 0.00 0.45 0.00 0.00 54.58 55.57 1ck3 n ASN 154 Cb 0.32 -0.51 0.14 0.00 1.23 0.00 0.00 39.78 40.96 1ck3 n ASN 154 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 177.26 175.36 1ck3 n MET 155 N -1.52 2.34 0.00 1.20 0.00 -1.04 -4.98 117.12 113.13 1ck3 n MET 155 Ca 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 57.70 55.81 1ck3 n MET 155 Cb 0.10 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.03 1ck3 n MET 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ck3 n GLY 156 N 0.67 2.27 3.57 3.17 0.00 -0.85 -5.05 105.19 108.97 1ck3 n GLY 156 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1ck3 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ck3 s ASP 157 N -1.06 6.40 0.00 1.61 -1.08 -0.18 -4.85 116.67 117.51 1ck3 s ASP 157 Ca 0.00 0.01 0.22 0.00 -0.52 0.00 0.00 52.55 52.26 1ck3 s ASP 157 Cb 0.00 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.41 1ck3 s ASP 157 CO 0.00 -1.54 1.44 1.41 0.52 0.00 0.00 175.17 177.01 1ck3 n HIS 158 N 8.57 0.70 0.00 -5.34 8.25 -1.26 -2.61 115.22 123.53 1ck3 n HIS 158 Ca 0.07 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1ck3 n HIS 158 Cb 0.49 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1ck3 n HIS 158 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1ck3 n VAL 159 N 1.49 0.00 -2.16 1.59 0.24 -1.26 -5.02 118.33 113.22 1ck3 n VAL 159 Ca 0.21 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.09 1ck3 n VAL 159 Cb 0.60 -0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 32.19 1ck3 n VAL 159 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ck3 s THR 160 N -1.87 3.68 -0.01 3.34 2.01 -1.26 -4.73 115.64 116.80 1ck3 s THR 160 Ca 0.00 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.00 1ck3 s THR 160 Cb 0.00 -3.63 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 1ck3 s THR 160 CO 0.00 -0.04 -0.07 0.00 -0.69 0.00 0.00 174.62 173.83 1ck3 s ARG 161 N 3.01 0.56 -0.11 4.92 1.70 -0.67 -4.85 118.95 123.51 1ck3 s ARG 161 Ca 0.66 -0.24 0.01 0.00 -0.47 0.00 0.00 55.73 55.70 1ck3 s ARG 161 Cb -0.32 -0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 33.50 1ck3 s ARG 161 CO 0.26 0.13 -0.15 -1.17 -1.08 0.00 0.00 175.30 173.30 1ck3 s LEU 162 N -0.10 2.64 0.00 -1.89 2.96 -1.26 -2.32 118.68 118.71 1ck3 s LEU 162 Ca 0.02 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1ck3 s LEU 162 Cb -0.03 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.08 1ck3 s LEU 162 CO -0.00 0.20 0.00 0.47 -1.32 0.00 0.00 176.35 175.70 1ck3 n ASP 163 N 3.27 2.00 -4.34 3.68 9.92 -1.26 -4.33 116.55 125.49 1ck3 n ASP 163 Ca -0.18 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 53.91 1ck3 n ASP 163 Cb 0.53 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.04 1ck3 n ASP 163 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ck3 n ARG 164 N -2.74 0.73 -3.96 -1.24 1.74 -1.26 -4.78 116.66 105.14 1ck3 n ARG 164 Ca 0.00 -2.59 -0.27 0.00 -0.77 0.00 0.00 57.85 54.23 1ck3 n ARG 164 Cb 0.50 -0.05 -0.02 0.00 -1.02 0.00 0.00 32.46 31.87 1ck3 n ARG 164 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ck3 s TRP 165 N -1.98 1.74 0.26 -1.55 0.52 -1.26 -4.76 118.94 111.91 1ck3 s TRP 165 Ca 0.42 -0.82 -0.29 0.00 0.02 0.00 0.00 56.10 55.42 1ck3 s TRP 165 Cb -0.03 -1.90 -0.09 0.00 -1.15 0.00 0.00 33.47 30.29 1ck3 s TRP 165 CO 0.27 -0.36 0.94 -1.21 0.02 0.00 0.00 176.95 176.60 1ck3 s GLU 166 N -4.22 4.79 0.00 4.98 0.41 -1.26 -1.66 118.70 121.73 1ck3 s GLU 166 Ca 0.32 1.45 0.22 0.00 -0.41 0.00 0.00 54.97 56.55 1ck3 s GLU 166 Cb -0.02 -3.16 0.52 0.00 -1.78 0.00 0.00 34.13 29.70 1ck3 s GLU 166 CO 0.20 0.45 1.45 -0.35 -0.49 0.00 0.00 175.26 176.52 1ck3 n PRO 167 N 1.25 2.42 0.22 0.39 -0.04 -1.26 -4.93 135.00 133.04 1ck3 n PRO 167 Ca -0.01 -2.16 0.11 0.00 -0.04 0.00 0.00 63.50 61.40 1ck3 n PRO 167 Cb 0.48 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 33.12 1ck3 n PRO 167 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ck3 h GLU 168 N 3.94 0.00 0.00 0.54 3.07 -1.72 -2.48 114.58 117.93 1ck3 h GLU 168 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ck3 h GLU 168 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1ck3 h GLU 168 CO 0.00 0.00 0.00 1.47 -1.40 0.00 0.00 179.01 179.08 1ck3 n LEU 169 N -4.42 0.00 -1.07 1.33 -0.00 -0.68 -2.13 117.00 110.02 1ck3 n LEU 169 Ca -0.01 0.29 0.12 0.00 -0.00 0.00 0.00 56.01 56.41 1ck3 n LEU 169 Cb 0.18 -0.29 0.23 0.00 -0.00 0.00 0.00 43.42 43.53 1ck3 n LEU 169 CO 0.34 -0.19 0.71 0.59 -0.00 0.00 0.00 177.39 178.84 1ck3 n ASN 170 N -1.29 3.22 -0.20 1.45 3.02 -0.93 -4.55 115.26 115.98 1ck3 n ASN 170 Ca 0.05 -1.96 0.01 0.00 -0.03 0.00 0.00 54.58 52.64 1ck3 n ASN 170 Cb 0.09 -0.21 0.11 0.00 -0.61 0.00 0.00 39.78 39.15 1ck3 n ASN 170 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1ck3 h GLU 171 N 4.24 0.23 -5.75 3.52 5.08 -1.62 -0.44 114.58 119.84 1ck3 h GLU 171 Ca 0.00 -0.01 -0.39 0.00 -1.00 0.00 0.00 59.36 57.96 1ck3 h GLU 171 Cb 0.93 -0.05 0.14 0.00 0.50 0.00 0.00 28.75 30.27 1ck3 h GLU 171 CO 0.00 0.15 -0.67 0.00 -1.00 0.00 0.00 179.01 177.50 1ck3 n ALA 172 N -2.61 -1.30 -1.84 3.43 0.00 -1.26 -4.39 120.51 112.54 1ck3 n ALA 172 Ca 0.09 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 1ck3 n ALA 172 Cb 0.32 -5.38 -0.02 0.00 0.00 0.00 0.00 19.45 14.37 1ck3 n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ck3 s ILE 173 N -3.31 2.44 0.21 0.00 1.01 -1.26 -4.84 121.20 115.44 1ck3 s ILE 173 Ca 0.57 0.37 -0.32 0.00 0.00 0.00 0.00 60.65 61.26 1ck3 s ILE 173 Cb -0.25 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 38.86 1ck3 s ILE 173 CO 0.72 0.06 1.59 -2.65 0.00 0.00 0.00 174.94 174.66 1ck3 n PRO 174 N 2.34 2.40 -0.68 2.79 -0.02 -1.26 -2.00 135.00 138.57 1ck3 n PRO 174 Ca 0.08 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1ck3 n PRO 174 Cb 0.39 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1ck3 n PRO 174 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ck3 n ASN 175 N 3.13 0.00 -4.66 2.55 3.02 -1.26 -4.98 115.26 113.05 1ck3 n ASN 175 Ca 0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 1ck3 n ASN 175 Cb 0.32 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.94 1ck3 n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ck3 s ASP 176 N -2.94 6.93 0.00 6.41 2.15 -0.85 -4.89 116.67 123.48 1ck3 s ASP 176 Ca 0.00 1.73 0.28 0.00 0.43 0.00 0.00 52.55 54.99 1ck3 s ASP 176 Cb 0.00 -2.54 1.02 0.00 -0.30 0.00 0.00 42.92 41.10 1ck3 s ASP 176 CO 0.00 -0.76 1.76 -0.62 -0.17 0.00 0.00 175.17 175.38 1ck3 n GLU 177 N 6.56 0.13 -2.09 4.34 1.02 -1.26 -4.87 120.64 124.47 1ck3 n GLU 177 Ca 0.14 -0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.85 1ck3 n GLU 177 Cb 0.45 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1ck3 n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ck3 s ARG 178 N -2.89 3.91 -1.50 3.49 0.52 -1.26 -3.38 118.95 117.85 1ck3 s ARG 178 Ca 0.16 2.08 -0.10 0.00 -0.52 0.00 0.00 55.73 57.35 1ck3 s ARG 178 Cb 0.19 -2.69 0.07 0.00 0.52 0.00 0.00 34.95 33.04 1ck3 s ARG 178 CO 0.57 -0.51 0.83 -0.25 0.02 0.00 0.00 175.30 175.97 1ck3 n ASP 179 N 0.00 -3.33 -4.49 0.23 8.00 -1.11 -4.93 116.55 110.92 1ck3 n ASP 179 Ca 0.04 -0.85 -0.25 0.00 0.71 0.00 0.00 54.79 54.45 1ck3 n ASP 179 Cb 0.44 -3.67 -0.10 0.00 -0.02 0.00 0.00 41.12 37.77 1ck3 n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ck3 s THR 180 N -3.45 1.34 0.31 -3.53 -4.23 -0.98 -1.70 115.64 103.40 1ck3 s THR 180 Ca 0.46 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1ck3 s THR 180 Cb -0.24 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1ck3 s THR 180 CO 0.85 0.00 0.52 0.28 -0.54 0.00 0.00 174.62 175.72 1ck3 s THR 181 N -3.08 0.00 -0.05 3.99 -1.32 -0.54 -1.68 115.64 112.96 1ck3 s THR 181 Ca 0.31 -1.45 0.04 0.00 -1.21 0.00 0.00 61.69 59.39 1ck3 s THR 181 Cb 0.08 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.54 1ck3 s THR 181 CO 0.15 0.00 -0.17 -0.04 -2.21 0.00 0.00 174.62 172.34 1ck3 s MET 182 N -3.34 2.53 0.37 7.08 -1.94 -1.26 -0.94 119.30 121.80 1ck3 s MET 182 Ca 0.25 -0.76 0.18 0.00 -1.71 0.00 0.00 55.69 53.66 1ck3 s MET 182 Cb -0.01 -2.32 1.14 0.00 2.01 0.00 0.00 34.83 35.65 1ck3 s MET 182 CO 0.14 0.54 1.69 -1.35 -0.01 0.00 0.00 175.02 176.04 1ck3 h PRO 183 N 5.59 0.31 -0.11 2.03 0.11 -1.69 0.98 132.00 139.21 1ck3 h PRO 183 Ca -0.42 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.49 1ck3 h PRO 183 Cb 1.16 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ck3 h PRO 183 CO 0.50 0.20 -0.69 -0.24 -0.21 0.00 0.00 178.00 177.56 1ck3 h VAL 184 N 0.32 1.35 -0.06 3.15 3.04 -1.69 -1.88 116.25 120.48 1ck3 h VAL 184 Ca 0.71 -2.04 -0.02 0.00 -1.01 0.00 0.00 66.70 64.34 1ck3 h VAL 184 Cb 1.78 2.02 -0.00 0.00 -2.01 0.00 0.00 31.29 33.07 1ck3 h VAL 184 CO -0.48 0.62 -0.06 0.00 -1.01 0.00 0.00 177.57 176.64 1ck3 h ALA 185 N 0.89 0.09 -0.70 3.17 0.00 -1.13 -2.24 119.26 119.35 1ck3 h ALA 185 Ca -0.02 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1ck3 h ALA 185 Cb 1.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1ck3 h ALA 185 CO 0.13 -0.11 0.45 1.98 0.00 0.00 0.00 179.25 181.69 1ck3 h MET 186 N -0.29 0.89 0.08 0.00 -1.53 -1.15 -0.15 114.93 112.78 1ck3 h MET 186 Ca 0.01 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1ck3 h MET 186 Cb 0.56 -0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 1ck3 h MET 186 CO 0.01 0.59 -0.10 0.00 0.14 0.00 0.00 176.91 177.55 1ck3 h ALA 187 N 1.27 -0.17 -0.38 0.39 0.00 -1.31 -0.40 119.26 118.66 1ck3 h ALA 187 Ca 0.27 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1ck3 h ALA 187 Cb -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ck3 h ALA 187 CO -0.08 -0.62 -0.26 1.79 0.00 0.00 0.00 179.25 180.09 1ck3 h THR 188 N -0.21 1.27 -0.70 0.00 1.35 -1.25 -2.20 112.91 111.17 1ck3 h THR 188 Ca 0.01 -1.39 -0.06 0.00 -0.55 0.00 0.00 66.41 64.42 1ck3 h THR 188 Cb 0.21 1.26 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 1ck3 h THR 188 CO -0.04 0.46 0.21 0.74 -0.25 0.00 0.00 175.52 176.64 1ck3 h THR 189 N 0.67 1.25 -0.54 6.82 2.02 -0.89 -1.48 112.91 120.77 1ck3 h THR 189 Ca 0.08 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.26 1ck3 h THR 189 Cb 0.78 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1ck3 h THR 189 CO 0.06 0.35 -0.09 0.25 0.37 0.00 0.00 175.52 176.46 1ck3 h LEU 190 N 1.04 0.98 -0.56 2.58 5.85 -0.94 -2.37 115.31 121.90 1ck3 h LEU 190 Ca 0.23 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1ck3 h LEU 190 Cb 0.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1ck3 h LEU 190 CO -0.01 1.09 0.21 -0.09 -0.34 0.00 0.00 178.44 179.30 1ck3 h ARG 191 N 0.89 0.84 -0.65 1.25 2.43 -1.01 -1.88 114.38 116.25 1ck3 h ARG 191 Ca 0.14 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1ck3 h ARG 191 Cb 0.64 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1ck3 h ARG 191 CO 0.04 0.74 0.14 0.87 -1.51 0.00 0.00 179.97 180.25 1ck3 h LYS 192 N 0.77 1.03 -0.32 0.20 1.57 -1.15 0.11 116.57 118.78 1ck3 h LYS 192 Ca 0.18 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1ck3 h LYS 192 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1ck3 h LYS 192 CO -0.01 0.92 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.63 1ck3 h LEU 193 N 0.98 0.64 0.19 2.94 3.38 -1.25 -0.40 115.31 121.79 1ck3 h LEU 193 Ca 0.20 -0.37 -0.31 0.00 0.09 0.00 0.00 57.88 57.49 1ck3 h LEU 193 Cb 0.37 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 40.97 1ck3 h LEU 193 CO 0.00 0.87 -1.37 -0.07 0.09 0.00 0.00 178.44 177.96 1ck3 h LEU 194 N 0.41 0.74 0.00 1.67 3.38 -1.22 -3.41 115.31 116.88 1ck3 h LEU 194 Ca 0.08 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1ck3 h LEU 194 Cb 0.60 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ck3 h LEU 194 CO 0.04 1.60 -0.09 0.35 0.09 0.00 0.00 178.44 180.42 1ck3 n THR 195 N -3.68 0.00 -1.17 0.22 -2.24 0.37 -4.88 114.28 102.90 1ck3 n THR 195 Ca -0.14 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 60.98 1ck3 n THR 195 Cb 1.06 0.99 0.16 0.00 -2.10 0.00 0.00 70.33 70.44 1ck3 n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ck3 n GLY 196 N 1.07 -2.17 1.34 3.38 0.00 -0.16 -4.97 105.19 103.68 1ck3 n GLY 196 Ca 0.00 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.58 1ck3 n GLY 196 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ck3 n GLU 197 N -3.45 2.69 -0.19 1.61 -0.58 -1.26 -4.50 120.64 114.97 1ck3 n GLU 197 Ca 0.11 -2.62 -0.08 0.00 -0.42 0.00 0.00 57.16 54.15 1ck3 n GLU 197 Cb 0.40 -1.57 0.02 0.00 -0.57 0.00 0.00 31.44 29.72 1ck3 n GLU 197 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1ck3 h LEU 198 N 4.28 0.74 -9.75 -4.62 -0.00 -1.91 -3.44 115.31 100.60 1ck3 h LEU 198 Ca 0.00 -0.17 -0.53 0.00 -0.00 0.00 0.00 57.88 57.18 1ck3 h LEU 198 Cb 0.98 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 41.38 1ck3 h LEU 198 CO 0.00 0.71 -0.58 -0.76 -0.00 0.00 0.00 178.44 177.81 1ck3 s LEU 199 N -9.77 3.58 0.74 0.17 1.43 -1.26 -4.99 118.68 108.58 1ck3 s LEU 199 Ca -0.13 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1ck3 s LEU 199 Cb 0.12 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1ck3 s LEU 199 CO 0.78 -0.01 1.08 0.42 0.23 0.00 0.00 176.35 178.85 1ck3 s THR 200 N -2.13 3.63 0.27 5.49 -4.23 -1.26 -4.75 115.64 112.65 1ck3 s THR 200 Ca 0.32 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1ck3 s THR 200 Cb -0.08 -3.18 0.25 0.00 1.34 0.00 0.00 72.50 70.84 1ck3 s THR 200 CO 0.23 -0.69 1.80 -0.07 -0.54 0.00 0.00 174.62 175.34 1ck3 h LEU 201 N -0.93 0.71 -0.85 4.79 -0.00 -1.97 0.19 115.31 117.24 1ck3 h LEU 201 Ca -0.44 0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 57.45 1ck3 h LEU 201 Cb 1.23 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.80 1ck3 h LEU 201 CO 0.55 0.34 0.17 0.00 -0.00 0.00 0.00 178.44 179.51 1ck3 h ALA 202 N 1.54 1.06 -0.05 1.53 0.00 -1.99 -1.53 119.26 119.83 1ck3 h ALA 202 Ca 0.47 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 1ck3 h ALA 202 Cb 0.57 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ck3 h ALA 202 CO -0.31 0.62 -0.89 0.77 0.00 0.00 0.00 179.25 179.44 1ck3 h SER 203 N 0.99 0.70 -0.46 0.00 0.02 -1.61 -0.39 113.55 112.80 1ck3 h SER 203 Ca 0.21 -0.52 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1ck3 h SER 203 Cb 0.33 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1ck3 h SER 203 CO -0.00 1.31 0.12 0.03 -1.14 0.00 0.00 176.83 177.15 1ck3 h ARG 204 N 0.34 0.73 -0.53 3.45 3.08 -0.91 -0.45 114.38 120.09 1ck3 h ARG 204 Ca -0.08 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.71 1ck3 h ARG 204 Cb 1.52 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 1ck3 h ARG 204 CO 0.17 0.72 -0.04 0.37 -1.07 0.00 0.00 179.97 180.11 1ck3 h GLN 205 N 0.61 0.94 -0.68 0.04 5.75 -1.28 -2.33 115.11 118.16 1ck3 h GLN 205 Ca 0.14 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1ck3 h GLN 205 Cb 0.31 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1ck3 h GLN 205 CO 0.00 0.95 0.16 0.37 -2.65 0.00 0.00 178.83 177.66 1ck3 h GLN 206 N 0.85 1.08 -0.13 1.69 5.75 -0.74 -1.27 115.11 122.34 1ck3 h GLN 206 Ca 0.15 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1ck3 h GLN 206 Cb 0.56 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1ck3 h GLN 206 CO 0.03 0.96 0.04 1.25 -2.65 0.00 0.00 178.83 178.46 1ck3 h LEU 207 N 1.02 0.20 -1.04 -2.39 5.85 -0.84 -2.72 115.31 115.38 1ck3 h LEU 207 Ca 0.21 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1ck3 h LEU 207 Cb 0.37 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ck3 h LEU 207 CO 0.00 0.36 -0.11 0.16 -0.34 0.00 0.00 178.44 178.51 1ck3 h ILE 208 N 0.02 1.24 -0.59 4.05 3.07 -1.30 -2.17 117.51 121.83 1ck3 h ILE 208 Ca 0.04 -1.04 0.03 0.00 1.55 0.00 0.00 64.86 65.44 1ck3 h ILE 208 Cb 0.24 1.11 -0.04 0.00 -0.27 0.00 0.00 36.82 37.86 1ck3 h ILE 208 CO -0.00 0.34 0.35 0.44 -1.05 0.00 0.00 178.15 178.24 1ck3 h ASP 209 N 0.52 0.57 -0.55 2.16 3.32 -1.14 0.18 116.42 121.48 1ck3 h ASP 209 Ca 0.09 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1ck3 h ASP 209 Cb 0.51 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1ck3 h ASP 209 CO 0.03 0.40 0.30 -0.50 -1.72 0.00 0.00 179.24 177.75 1ck3 h TRP 210 N 0.69 0.75 -0.08 4.55 6.55 -1.15 -1.51 115.95 125.75 1ck3 h TRP 210 Ca 0.24 -0.02 -0.10 0.00 0.95 0.00 0.00 58.89 59.96 1ck3 h TRP 210 Cb 0.04 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.08 1ck3 h TRP 210 CO -0.06 0.55 -0.39 0.52 -1.05 0.00 0.00 178.44 178.01 1ck3 h MET 211 N 0.74 0.18 -0.03 0.49 2.86 -0.78 -2.88 114.93 115.49 1ck3 h MET 211 Ca 0.19 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.58 1ck3 h MET 211 Cb 0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1ck3 h MET 211 CO -0.03 0.55 -0.75 1.49 1.06 0.00 0.00 176.91 179.22 1ck3 h GLU 212 N 0.15 0.24 0.00 1.72 4.81 -0.38 -1.46 114.58 119.67 1ck3 h GLU 212 Ca 0.02 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1ck3 h GLU 212 Cb 0.76 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1ck3 h GLU 212 CO 0.06 0.88 0.00 0.00 -0.73 0.00 0.00 179.01 179.22 1ck3 n ALA 213 N -2.47 2.64 -1.68 2.92 0.00 -0.60 -4.88 120.51 116.45 1ck3 n ALA 213 Ca -0.03 -0.17 -0.54 0.00 0.00 0.00 0.00 53.44 52.70 1ck3 n ALA 213 Cb 0.72 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1ck3 n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ck3 n ASP 214 N -0.94 2.52 -0.64 0.00 2.03 -1.11 -4.87 116.55 113.54 1ck3 n ASP 214 Ca 0.21 1.06 0.07 0.00 0.52 0.00 0.00 54.79 56.65 1ck3 n ASP 214 Cb 0.10 -1.22 0.11 0.00 -0.72 0.00 0.00 41.12 39.39 1ck3 n ASP 214 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ck3 n LYS 215 N 4.96 1.78 0.00 -0.67 4.01 -1.02 -4.61 118.16 122.60 1ck3 n LYS 215 Ca 0.23 -1.70 0.04 0.00 -0.51 0.00 0.00 58.31 56.37 1ck3 n LYS 215 Cb 0.19 -1.29 0.01 0.00 -0.51 0.00 0.00 35.03 33.43 1ck3 n LYS 215 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1ck3 n VAL 216 N 0.73 0.00 -1.12 -0.18 0.24 -1.25 -4.62 118.33 112.12 1ck3 n VAL 216 Ca 0.11 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 1ck3 n VAL 216 Cb 0.39 1.11 0.26 0.00 -1.47 0.00 0.00 33.84 34.13 1ck3 n VAL 216 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ck3 n ALA 217 N -0.11 4.95 -0.07 2.33 0.00 -1.26 -4.68 120.51 121.66 1ck3 n ALA 217 Ca 0.03 -2.56 -0.09 0.00 0.00 0.00 0.00 53.44 50.82 1ck3 n ALA 217 Cb 0.16 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 1ck3 n ALA 217 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ck3 h GLY 218 N 2.07 0.38 2.00 0.00 0.00 -1.90 -2.89 103.07 102.73 1ck3 h GLY 218 Ca 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1ck3 h GLY 218 CO 0.87 0.13 0.00 -2.55 0.00 0.00 0.00 176.54 174.98 1ck3 h PRO 219 N 0.35 0.00 0.00 4.80 0.11 -1.97 -3.14 132.00 132.15 1ck3 h PRO 219 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ck3 h PRO 219 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1ck3 h PRO 219 CO -0.03 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.04 1ck3 n LEU 220 N -2.40 0.00 0.17 2.35 4.77 -1.09 -4.70 117.00 116.10 1ck3 n LEU 220 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1ck3 n LEU 220 Cb 0.11 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 41.88 1ck3 n LEU 220 CO 0.15 0.00 1.12 -0.07 -1.33 0.00 0.00 177.39 177.25 1ck3 h LEU 221 N 0.00 0.00 -1.40 2.23 3.38 -1.83 -2.61 115.31 115.08 1ck3 h LEU 221 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ck3 h LEU 221 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ck3 h LEU 221 CO 0.00 0.00 -0.17 0.03 0.09 0.00 0.00 178.44 178.39 1ck3 h ARG 222 N 0.00 0.19 0.00 1.13 3.08 -1.75 -2.47 114.38 114.55 1ck3 h ARG 222 Ca 0.10 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1ck3 h ARG 222 Cb 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1ck3 h ARG 222 CO -0.00 0.36 -0.23 0.66 -1.07 0.00 0.00 179.97 179.69 1ck3 h SER 223 N 0.18 0.00 -0.72 7.04 4.64 -1.41 -2.63 113.55 120.65 1ck3 h SER 223 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1ck3 h SER 223 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1ck3 h SER 223 CO 0.03 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 1ck3 n ALA 224 N -2.28 2.37 -2.59 5.18 0.00 -0.95 -4.96 120.51 117.29 1ck3 n ALA 224 Ca -0.01 -1.30 -0.38 0.00 0.00 0.00 0.00 53.44 51.76 1ck3 n ALA 224 Cb 0.38 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 1ck3 n ALA 224 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ck3 s LEU 225 N -1.01 4.39 0.71 0.00 2.96 -0.99 -4.68 118.68 120.06 1ck3 s LEU 225 Ca 0.48 0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 55.17 1ck3 s LEU 225 Cb 0.25 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 44.34 1ck3 s LEU 225 CO 0.33 0.19 1.07 -2.84 -1.32 0.00 0.00 176.35 173.79 1ck3 s PRO 226 N -0.35 2.86 0.40 0.98 0.02 -1.26 -5.01 135.00 132.64 1ck3 s PRO 226 Ca 0.24 0.66 -0.27 0.00 0.02 0.00 0.00 61.00 61.66 1ck3 s PRO 226 Cb -0.16 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.26 1ck3 s PRO 226 CO 0.12 -1.08 1.35 0.00 -0.33 0.00 0.00 177.00 177.06 1ck3 s ALA 227 N -3.21 3.33 0.00 -1.55 0.00 -1.26 -2.94 121.76 116.13 1ck3 s ALA 227 Ca 0.58 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1ck3 s ALA 227 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1ck3 s ALA 227 CO 0.53 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1ck3 n GLY 228 N 0.64 3.22 3.78 0.00 0.00 -1.26 -4.98 105.19 106.59 1ck3 n GLY 228 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1ck3 n GLY 228 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ck3 s TRP 229 N -2.17 2.70 0.05 1.61 0.52 -1.15 -1.61 118.94 118.89 1ck3 s TRP 229 Ca 0.00 1.55 -0.09 0.00 0.02 0.00 0.00 56.10 57.57 1ck3 s TRP 229 Cb 0.00 -3.20 -0.05 0.00 -1.15 0.00 0.00 33.47 29.07 1ck3 s TRP 229 CO 0.00 -1.53 0.36 0.12 0.02 0.00 0.00 176.95 175.93 1ck3 s PHE 230 N -2.09 3.59 -0.16 -1.98 2.19 0.25 -4.70 117.98 115.08 1ck3 s PHE 230 Ca 0.69 0.75 -0.06 0.00 0.33 0.00 0.00 56.93 58.64 1ck3 s PHE 230 Cb -0.21 -2.12 0.07 0.00 -1.31 0.00 0.00 43.02 39.45 1ck3 s PHE 230 CO 0.33 0.56 0.34 -1.50 1.83 0.00 0.00 175.22 176.78 1ck3 s ILE 231 N -1.34 -0.43 -0.19 3.12 1.10 -1.26 -2.66 121.20 119.54 1ck3 s ILE 231 Ca 0.31 0.21 0.00 0.00 -0.51 0.00 0.00 60.65 60.65 1ck3 s ILE 231 Cb -0.14 -0.54 0.05 0.00 0.15 0.00 0.00 42.46 41.98 1ck3 s ILE 231 CO 0.17 0.09 -0.06 0.00 -2.11 0.00 0.00 174.94 173.02 1ck3 s ALA 232 N 2.28 1.70 0.31 1.50 0.00 -0.39 -4.33 121.76 122.83 1ck3 s ALA 232 Ca -0.02 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.96 1ck3 s ALA 232 Cb -0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1ck3 s ALA 232 CO -0.11 -0.87 0.29 0.16 0.00 0.00 0.00 175.76 175.23 1ck3 s ASP 233 N 1.53 1.35 -0.27 0.00 1.47 -0.57 -0.65 116.67 119.54 1ck3 s ASP 233 Ca -0.01 -1.67 -0.09 0.00 1.18 0.00 0.00 52.55 51.97 1ck3 s ASP 233 Cb -0.16 0.55 0.12 0.00 -0.34 0.00 0.00 42.92 43.09 1ck3 s ASP 233 CO -0.08 -1.07 0.58 -0.75 0.68 0.00 0.00 175.17 174.53 1ck3 s LYS 234 N -3.48 0.50 0.59 2.11 2.47 -0.95 -4.61 119.74 116.36 1ck3 s LYS 234 Ca 0.39 1.32 -0.01 0.00 -1.56 0.00 0.00 55.97 56.11 1ck3 s LYS 234 Cb 0.03 0.70 0.04 0.00 -1.46 0.00 0.00 37.83 37.13 1ck3 s LYS 234 CO 0.24 -0.23 0.83 -1.54 0.16 0.00 0.00 175.35 174.82 1ck3 s SER 235 N 2.81 5.16 -0.09 1.43 1.04 -1.26 -2.24 113.70 120.55 1ck3 s SER 235 Ca -0.04 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.40 1ck3 s SER 235 Cb -0.12 -0.93 0.02 0.00 0.10 0.00 0.00 66.02 65.09 1ck3 s SER 235 CO -0.17 -1.26 0.26 -0.83 0.98 0.00 0.00 173.24 172.22 1ck3 s GLY 236 N -4.45 -0.18 -0.04 7.32 0.00 0.04 -3.50 107.32 106.51 1ck3 s GLY 236 Ca 0.58 0.68 -0.04 0.00 0.00 0.00 0.00 44.72 45.94 1ck3 s GLY 236 CO 0.40 0.57 0.11 0.00 0.00 0.00 0.00 173.10 174.18 1ck3 s ALA 237 N -0.01 -0.27 0.17 3.20 0.00 -1.26 -1.70 121.76 121.88 1ck3 s ALA 237 Ca -0.01 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 1ck3 s ALA 237 Cb -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1ck3 s ALA 237 CO 0.01 -0.08 0.29 0.41 0.00 0.00 0.00 175.76 176.39 1ck3 n GLY 238 N 2.79 2.04 3.68 0.00 0.00 -0.72 -4.58 105.19 108.40 1ck3 n GLY 238 Ca -0.14 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 1ck3 n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ck3 s GLU 240 N -2.18 0.42 -1.43 1.61 2.02 -0.18 -3.58 118.70 115.39 1ck3 s GLU 240 Ca 0.10 0.51 -0.07 0.00 0.02 0.00 0.00 54.97 55.52 1ck3 s GLU 240 Cb -0.01 -1.74 0.04 0.00 0.10 0.00 0.00 34.13 32.52 1ck3 s GLU 240 CO 0.07 -2.73 0.82 0.54 0.02 0.00 0.00 175.26 173.98 1ck3 n ARG 241 N -4.17 -5.08 -0.95 1.61 1.74 -1.26 -2.08 116.66 106.46 1ck3 n ARG 241 Ca 0.05 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 1ck3 n ARG 241 Cb 0.57 -5.28 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1ck3 n ARG 241 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ck3 n GLY 242 N -1.66 0.17 3.73 -0.13 0.00 -1.21 -0.71 105.19 105.37 1ck3 n GLY 242 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1ck3 n GLY 242 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ck3 s SER 243 N -2.04 6.47 -0.08 1.61 0.01 -0.88 -4.46 113.70 114.32 1ck3 s SER 243 Ca 0.00 2.79 -0.27 0.00 1.31 0.00 0.00 55.95 59.78 1ck3 s SER 243 Cb 0.00 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.68 1ck3 s SER 243 CO 0.00 -0.88 0.62 -0.60 0.41 0.00 0.00 173.24 172.79 1ck3 s ARG 244 N 0.47 0.94 0.07 12.44 6.06 -0.48 -1.75 118.95 136.70 1ck3 s ARG 244 Ca 0.68 0.33 -0.27 0.00 -2.50 0.00 0.00 55.73 53.97 1ck3 s ARG 244 Cb -0.46 0.44 0.09 0.00 0.06 0.00 0.00 34.95 35.08 1ck3 s ARG 244 CO 0.38 -0.26 1.15 0.20 -2.50 0.00 0.00 175.30 174.27 1ck3 s GLY 245 N -0.89 -0.23 -0.20 8.12 0.00 -0.69 -1.28 107.32 112.16 1ck3 s GLY 245 Ca -0.09 0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.61 1ck3 s GLY 245 CO 0.07 1.24 0.84 -1.50 0.00 0.00 0.00 173.10 173.75 1ck3 s ILE 246 N -2.57 0.00 -0.02 0.90 2.07 0.45 -0.78 121.20 121.24 1ck3 s ILE 246 Ca 0.17 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.48 1ck3 s ILE 246 Cb 0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 1ck3 s ILE 246 CO -0.00 0.00 -0.22 0.27 -1.91 0.00 0.00 174.94 173.08 1ck3 s ILE 247 N -0.32 1.75 0.07 2.00 -4.36 -0.95 -0.89 121.20 118.50 1ck3 s ILE 247 Ca -0.02 -0.94 -0.18 0.00 -0.26 0.00 0.00 60.65 59.25 1ck3 s ILE 247 Cb -0.03 -1.45 0.04 0.00 1.25 0.00 0.00 42.46 42.27 1ck3 s ILE 247 CO 0.02 0.49 0.42 0.00 0.24 0.00 0.00 174.94 176.11 1ck3 s ALA 248 N -0.46 -1.03 -0.22 2.27 0.00 0.20 -2.25 121.76 120.27 1ck3 s ALA 248 Ca 0.07 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1ck3 s ALA 248 Cb -0.09 0.44 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1ck3 s ALA 248 CO -0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 175.76 175.16 1ck3 s ALA 249 N -2.81 2.04 0.15 0.00 0.00 0.17 -1.19 121.76 120.12 1ck3 s ALA 249 Ca -0.03 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 1ck3 s ALA 249 Cb -0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1ck3 s ALA 249 CO -0.05 -1.02 0.09 -0.48 0.00 0.00 0.00 175.76 174.31 1ck3 s LEU 250 N 1.37 1.59 0.00 0.00 2.34 -0.52 -1.26 118.68 122.20 1ck3 s LEU 250 Ca -0.04 -1.20 0.00 0.00 0.06 0.00 0.00 54.13 52.95 1ck3 s LEU 250 Cb -0.18 0.41 0.00 0.00 -0.56 0.00 0.00 46.19 45.86 1ck3 s LEU 250 CO -0.07 -0.77 0.00 0.61 -1.06 0.00 0.00 176.35 175.07 1ck3 n GLY 251 N -0.13 1.33 3.84 -3.48 0.00 -1.09 -1.53 105.19 104.12 1ck3 n GLY 251 Ca -0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1ck3 n GLY 251 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ck3 s PRO 252 N -2.00 2.00 -1.36 1.61 0.04 -1.24 -0.58 135.00 133.46 1ck3 s PRO 252 Ca 0.00 0.40 -0.03 0.00 0.04 0.00 0.00 61.00 61.41 1ck3 s PRO 252 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ck3 s PRO 252 CO 0.00 -1.62 0.41 -0.25 0.04 0.00 0.00 177.00 175.58 1ck3 n ASP 254 N -3.39 -5.40 -0.82 6.66 8.00 -1.25 -2.71 116.55 117.63 1ck3 n ASP 254 Ca 0.07 -0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.27 1ck3 n ASP 254 Cb 0.58 -4.28 -0.05 0.00 -0.02 0.00 0.00 41.12 37.35 1ck3 n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ck3 n GLY 255 N -1.33 1.07 3.06 0.44 0.00 -0.63 -4.96 105.19 102.84 1ck3 n GLY 255 Ca -0.12 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1ck3 n GLY 255 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ck3 s LYS 256 N -2.81 1.78 0.30 1.61 0.00 -1.10 -4.71 119.74 114.81 1ck3 s LYS 256 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 55.97 55.20 1ck3 s LYS 256 Cb 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 37.83 36.26 1ck3 s LYS 256 CO 0.00 0.09 1.10 -1.25 0.00 0.00 0.00 175.35 175.29 1ck3 s PRO 257 N 0.48 4.55 0.00 1.78 0.04 -1.26 -3.65 135.00 136.93 1ck3 s PRO 257 Ca -0.12 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1ck3 s PRO 257 Cb -0.15 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1ck3 s PRO 257 CO 0.04 0.14 0.11 -1.13 0.04 0.00 0.00 177.00 176.19 1ck3 n SER 258 N 0.98 0.00 -3.66 6.66 3.41 -0.59 -4.85 113.62 115.57 1ck3 n SER 258 Ca -0.00 -1.00 -0.15 0.00 -0.26 0.00 0.00 58.87 57.46 1ck3 n SER 258 Cb 0.45 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 1ck3 n SER 258 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ck3 s ARG 259 N 0.00 0.76 -0.15 4.33 3.52 -0.69 -2.25 118.95 124.47 1ck3 s ARG 259 Ca 0.00 0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.99 1ck3 s ARG 259 Cb 0.00 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.72 1ck3 s ARG 259 CO 0.00 -0.17 -0.01 0.42 -0.81 0.00 0.00 175.30 174.73 1ck3 s ILE 260 N -0.44 4.12 -0.07 4.11 -1.09 0.18 -1.43 121.20 126.58 1ck3 s ILE 260 Ca -0.06 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 1ck3 s ILE 260 Cb -0.03 -2.81 -0.00 0.00 -1.58 0.00 0.00 42.46 38.04 1ck3 s ILE 260 CO 0.04 0.50 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.35 1ck3 s VAL 261 N 0.25 1.73 -0.09 2.92 1.01 -0.33 0.46 120.40 126.36 1ck3 s VAL 261 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1ck3 s VAL 261 Cb -0.13 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1ck3 s VAL 261 CO 0.02 0.49 -0.08 -0.69 0.00 0.00 0.00 175.10 174.84 1ck3 s VAL 262 N 0.23 0.93 -0.08 2.92 1.01 -0.57 -0.63 120.40 124.22 1ck3 s VAL 262 Ca -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1ck3 s VAL 262 Cb -0.15 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1ck3 s VAL 262 CO 0.05 0.34 -0.08 -0.63 0.00 0.00 0.00 175.10 174.78 1ck3 s ILE 263 N 1.39 0.89 0.08 2.22 1.01 -0.06 -2.08 121.20 124.64 1ck3 s ILE 263 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1ck3 s ILE 263 Cb -0.14 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1ck3 s ILE 263 CO -0.04 0.32 -0.12 -0.31 0.00 0.00 0.00 174.94 174.79 1ck3 s TYR 264 N 1.18 1.10 -0.14 3.97 2.02 -0.36 -0.41 117.35 124.71 1ck3 s TYR 264 Ca -0.06 -0.53 -0.25 0.00 -0.37 0.00 0.00 57.07 55.86 1ck3 s TYR 264 Cb -0.14 -0.61 0.06 0.00 -0.40 0.00 0.00 41.96 40.87 1ck3 s TYR 264 CO -0.02 0.03 0.63 -0.08 -1.57 0.00 0.00 175.55 174.53 1ck3 s THR 265 N -1.71 0.01 0.02 -0.71 -1.32 -0.40 0.62 115.64 112.14 1ck3 s THR 265 Ca -0.00 -0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.20 1ck3 s THR 265 Cb -0.07 -0.91 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 1ck3 s THR 265 CO 0.01 -0.03 0.52 0.28 -2.21 0.00 0.00 174.62 173.19 1ck3 s THR 266 N -0.46 0.03 0.00 5.08 -1.32 -1.17 -1.39 115.64 116.41 1ck3 s THR 266 Ca -0.06 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1ck3 s THR 266 Cb -0.03 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1ck3 s THR 266 CO 0.05 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 1ck3 n GLY 267 N 0.63 0.41 3.78 6.08 0.00 0.11 -3.43 105.19 112.77 1ck3 n GLY 267 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1ck3 n GLY 267 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ck3 s SER 268 N -1.89 6.97 0.00 1.61 0.15 -1.24 -4.83 113.70 114.46 1ck3 s SER 268 Ca 0.00 2.05 0.23 0.00 0.70 0.00 0.00 55.95 58.94 1ck3 s SER 268 Cb 0.00 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 1ck3 s SER 268 CO 0.00 -0.34 1.40 0.00 1.20 0.00 0.00 173.24 175.50 1ck3 n GLN 269 N 0.31 2.43 -1.80 5.44 6.02 -1.26 -3.33 117.38 125.19 1ck3 n GLN 269 Ca 0.03 -2.15 -0.33 0.00 -0.01 0.00 0.00 57.00 54.54 1ck3 n GLN 269 Cb 0.49 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.29 1ck3 n GLN 269 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ck3 s ALA 270 N -1.59 2.53 1.04 -1.58 0.00 -1.26 -5.03 121.76 115.86 1ck3 s ALA 270 Ca 0.37 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 1ck3 s ALA 270 Cb 0.22 -3.30 0.21 0.00 0.00 0.00 0.00 23.12 20.26 1ck3 s ALA 270 CO 0.31 -1.19 1.09 0.95 0.00 0.00 0.00 175.76 176.93 1ck3 s THR 271 N -2.39 1.94 0.22 0.00 -4.23 -1.26 -4.80 115.64 105.12 1ck3 s THR 271 Ca 0.66 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.10 1ck3 s THR 271 Cb -0.19 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.30 1ck3 s THR 271 CO 0.41 0.00 1.75 0.24 -0.54 0.00 0.00 174.62 176.48 1ck3 h MET 272 N -2.05 1.09 -0.69 3.99 2.86 -1.99 -1.88 114.93 116.27 1ck3 h MET 272 Ca -0.54 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 56.80 1ck3 h MET 272 Cb 1.33 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 1ck3 h MET 272 CO 0.54 0.94 0.18 -0.44 1.06 0.00 0.00 176.91 179.20 1ck3 h ASP 273 N 1.04 1.03 -0.33 1.22 3.32 -1.98 0.14 116.42 120.86 1ck3 h ASP 273 Ca 0.22 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1ck3 h ASP 273 Cb 0.33 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1ck3 h ASP 273 CO -0.00 0.99 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.98 1ck3 h GLU 274 N 1.02 0.80 -0.16 3.56 5.08 -1.88 0.41 114.58 123.41 1ck3 h GLU 274 Ca 0.22 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1ck3 h GLU 274 Cb 0.35 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ck3 h GLU 274 CO -0.00 0.93 -0.04 0.00 -1.00 0.00 0.00 179.01 178.90 1ck3 h ARG 275 N 0.70 0.31 -0.18 2.33 3.08 -1.03 -2.66 114.38 116.94 1ck3 h ARG 275 Ca 0.10 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1ck3 h ARG 275 Cb 0.70 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1ck3 h ARG 275 CO 0.05 0.59 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.97 1ck3 h ASP 276 N 0.02 0.28 -0.49 7.04 3.32 -0.61 -2.57 116.42 123.40 1ck3 h ASP 276 Ca 0.04 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1ck3 h ASP 276 Cb 0.47 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1ck3 h ASP 276 CO 0.02 0.44 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.85 1ck3 h ARG 277 N 0.28 0.89 -0.50 3.56 2.43 -0.82 -0.99 114.38 119.22 1ck3 h ARG 277 Ca 0.06 -0.31 -0.08 0.00 -0.81 0.00 0.00 59.98 58.84 1ck3 h ARG 277 Cb 0.41 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1ck3 h ARG 277 CO 0.02 0.95 0.02 1.96 -1.51 0.00 0.00 179.97 181.41 1ck3 h GLN 278 N 0.75 0.88 -0.62 0.20 1.08 -1.19 -0.12 115.11 116.09 1ck3 h GLN 278 Ca 0.13 -0.27 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 1ck3 h GLN 278 Cb 0.57 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1ck3 h GLN 278 CO 0.03 0.90 0.07 0.82 -0.95 0.00 0.00 178.83 179.71 1ck3 h ILE 279 N 0.74 1.26 -0.40 2.54 2.04 -1.41 -1.54 117.51 120.74 1ck3 h ILE 279 Ca 0.14 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.89 1ck3 h ILE 279 Cb 0.49 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1ck3 h ILE 279 CO 0.02 0.39 -0.05 0.00 0.00 0.00 0.00 178.15 178.51 1ck3 h ALA 280 N 1.11 1.15 -0.35 1.87 0.00 -0.88 -1.29 119.26 120.88 1ck3 h ALA 280 Ca 0.19 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1ck3 h ALA 280 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ck3 h ALA 280 CO 0.02 0.54 -0.25 0.93 0.00 0.00 0.00 179.25 180.48 1ck3 h GLU 281 N 0.63 0.70 -0.58 0.00 3.07 -0.50 -0.44 114.58 117.46 1ck3 h GLU 281 Ca 0.12 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.36 58.62 1ck3 h GLU 281 Cb 0.47 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1ck3 h GLU 281 CO 0.02 0.88 0.11 0.82 -1.40 0.00 0.00 179.01 179.44 1ck3 h ILE 282 N 0.61 1.26 -0.26 3.13 2.04 -0.82 -1.59 117.51 121.87 1ck3 h ILE 282 Ca 0.08 -0.96 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 1ck3 h ILE 282 Cb 0.75 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1ck3 h ILE 282 CO 0.06 0.35 -0.12 1.23 0.00 0.00 0.00 178.15 179.67 1ck3 h GLY 283 N 0.86 0.48 0.93 5.37 0.00 -0.88 0.14 103.07 109.96 1ck3 h GLY 283 Ca 0.18 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1ck3 h GLY 283 CO 0.01 0.30 -0.06 0.00 0.00 0.00 0.00 176.54 176.79 1ck3 h ALA 284 N 1.46 0.49 -0.41 3.60 0.00 -0.68 -1.33 119.26 122.39 1ck3 h ALA 284 Ca 0.08 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1ck3 h ALA 284 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ck3 h ALA 284 CO 0.03 0.31 -0.12 1.03 0.00 0.00 0.00 179.25 180.50 1ck3 h SER 285 N 0.47 0.74 -0.59 0.00 0.87 -1.00 -0.69 113.55 113.35 1ck3 h SER 285 Ca 0.09 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1ck3 h SER 285 Cb 0.55 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1ck3 h SER 285 CO 0.03 0.88 0.39 0.25 -0.53 0.00 0.00 176.83 177.85 1ck3 h LEU 286 N 0.68 0.68 0.10 2.23 7.12 -0.74 -2.35 115.31 123.04 1ck3 h LEU 286 Ca 0.11 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 1ck3 h LEU 286 Cb 0.59 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1ck3 h LEU 286 CO 0.04 0.50 -0.05 0.40 -0.13 0.00 0.00 178.44 179.20 1ck3 h ILE 287 N 0.80 1.09 -0.72 4.05 1.08 -0.89 -2.79 117.51 120.12 1ck3 h ILE 287 Ca 0.22 -0.79 0.16 0.00 -0.39 0.00 0.00 64.86 64.05 1ck3 h ILE 287 Cb -0.08 1.59 -0.11 0.00 -3.07 0.00 0.00 36.82 35.15 1ck3 h ILE 287 CO -0.05 0.19 0.16 0.50 -0.69 0.00 0.00 178.15 178.27 1ck3 h LYS 288 N -0.51 0.25 -0.90 2.37 3.64 -1.02 -0.73 116.57 119.66 1ck3 h LYS 288 Ca -0.01 -0.01 -0.48 0.00 -1.27 0.00 0.00 60.65 58.87 1ck3 h LYS 288 Cb 0.42 -0.06 -0.28 0.00 -0.41 0.00 0.00 32.23 31.90 1ck3 h LYS 288 CO 0.02 0.16 0.55 0.72 -2.27 0.00 0.00 179.45 178.64 1ck3 n HIS 289 N -5.17 2.80 0.00 1.91 8.25 -0.89 -5.11 115.22 117.01 1ck3 n HIS 289 Ca 0.14 -1.88 0.00 0.00 -0.26 0.00 0.00 57.72 55.71 1ck3 n HIS 289 Cb 0.45 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.65 1ck3 n HIS 289 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85