#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ik9 n GLU 3 N 0.00 0.00 -3.65 0.00 -0.00 -1.26 -5.03 120.64 110.70 3ik9 n GLU 3 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.16 56.80 3ik9 n GLU 3 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.37 3ik9 n GLU 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3ik9 s LYS 4 N -0.19 4.04 0.49 3.44 1.02 -1.26 -5.00 119.74 122.27 3ik9 s LYS 4 Ca 0.00 -0.00 -0.23 0.00 0.02 0.00 0.00 55.97 55.76 3ik9 s LYS 4 Cb 0.00 -3.36 -0.06 0.00 -0.52 0.00 0.00 37.83 33.89 3ik9 s LYS 4 CO 0.00 0.41 1.29 -2.14 -0.92 0.00 0.00 175.35 173.98 3ik9 s PRO 5 N -0.02 3.51 -0.17 -1.68 0.02 -1.26 -4.76 135.00 130.65 3ik9 s PRO 5 Ca 0.15 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.25 3ik9 s PRO 5 Cb -0.13 -2.41 0.02 0.00 0.02 0.00 0.00 34.50 32.00 3ik9 s PRO 5 CO 0.03 -0.84 -0.19 0.21 -0.33 0.00 0.00 177.00 175.89 3ik9 s LYS 6 N -2.71 2.80 -0.33 5.54 2.20 -0.96 -0.16 119.74 126.12 3ik9 s LYS 6 Ca 0.66 -0.76 -0.12 0.00 -0.36 0.00 0.00 55.97 55.39 3ik9 s LYS 6 Cb -0.36 -2.42 -0.02 0.00 -1.51 0.00 0.00 37.83 33.52 3ik9 s LYS 6 CO 0.44 -0.19 0.21 -0.51 -0.36 0.00 0.00 175.35 174.94 3ik9 s LEU 7 N 1.29 4.37 -0.37 5.43 1.02 -0.14 -1.60 118.68 128.66 3ik9 s LEU 7 Ca 0.04 -0.39 -0.15 0.00 0.02 0.00 0.00 54.13 53.64 3ik9 s LEU 7 Cb -0.13 -2.11 0.00 0.00 0.02 0.00 0.00 46.19 43.97 3ik9 s LEU 7 CO -0.11 -0.20 0.33 -1.00 0.02 0.00 0.00 176.35 175.38 3ik9 s HIS 8 N 1.70 3.22 0.13 0.29 3.76 0.47 -1.67 115.29 123.19 3ik9 s HIS 8 Ca 0.06 -0.29 -0.24 0.00 -0.15 0.00 0.00 55.06 54.43 3ik9 s HIS 8 Cb -0.17 -2.64 0.08 0.00 1.11 0.00 0.00 32.58 30.96 3ik9 s HIS 8 CO 0.10 -0.50 1.08 -0.47 -0.85 0.00 0.00 174.74 174.10 3ik9 s TYR 9 N 1.87 0.02 0.61 1.40 5.04 -1.21 -2.56 117.35 122.51 3ik9 s TYR 9 Ca 0.08 -0.34 -0.16 0.00 -2.44 0.00 0.00 57.07 54.22 3ik9 s TYR 9 Cb -0.18 0.66 -0.03 0.00 0.35 0.00 0.00 41.96 42.76 3ik9 s TYR 9 CO 0.11 -0.75 1.08 -0.06 -1.34 0.00 0.00 175.55 174.59 3ik9 s PHE 10 N -2.36 2.83 -0.98 4.97 2.99 -1.26 0.21 117.98 124.38 3ik9 s PHE 10 Ca 0.20 1.53 -0.24 0.00 0.00 0.00 0.00 56.93 58.42 3ik9 s PHE 10 Cb -0.01 -3.09 -0.06 0.00 0.00 0.00 0.00 43.02 39.85 3ik9 s PHE 10 CO 0.03 -1.34 1.97 1.21 -0.00 0.00 0.00 175.22 177.09 3ik9 s ASN 11 N -2.60 5.03 0.00 1.36 2.47 -1.26 -4.74 114.94 115.21 3ik9 s ASN 11 Ca 0.66 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 53.02 3ik9 s ASN 11 Cb -0.18 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 3ik9 s ASN 11 CO 0.37 -2.92 0.00 0.61 -3.72 0.00 0.00 177.10 171.44 3ik9 n GLY 12 N 6.56 0.39 0.00 1.21 0.00 -1.26 -4.98 105.19 107.11 3ik9 n GLY 12 Ca 0.42 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3ik9 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ik9 n ARG 13 N -0.56 0.00 0.00 1.61 1.74 -1.26 -4.73 116.66 113.46 3ik9 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ik9 n ARG 13 Cb 0.00 -0.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 3ik9 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ik9 n GLY 14 N 1.71 2.72 0.34 -0.13 0.00 -1.26 -2.01 105.19 106.56 3ik9 n GLY 14 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.41 3ik9 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ik9 n ARG 15 N 11.91 1.69 0.14 1.61 1.74 -1.26 -4.18 116.66 128.30 3ik9 n ARG 15 Ca 0.00 -0.75 0.12 0.00 -0.77 0.00 0.00 57.85 56.44 3ik9 n ARG 15 Cb 0.00 -1.27 0.08 0.00 -1.02 0.00 0.00 32.46 30.25 3ik9 n ARG 15 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3ik9 h MET 16 N 1.67 0.00 -0.09 5.56 4.05 -1.71 -3.41 114.93 121.00 3ik9 h MET 16 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3ik9 h MET 16 Cb 0.54 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 3ik9 h MET 16 CO 0.00 0.00 0.03 1.49 0.23 0.00 0.00 176.91 178.66 3ik9 h GLU 17 N 0.00 0.14 -0.75 0.39 4.57 -1.68 -2.24 114.58 115.01 3ik9 h GLU 17 Ca 0.00 -0.03 0.17 0.00 -1.18 0.00 0.00 59.36 58.33 3ik9 h GLU 17 Cb 0.97 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 3ik9 h GLU 17 CO 0.00 0.28 0.51 0.66 -1.18 0.00 0.00 179.01 179.28 3ik9 h SER 18 N -0.03 0.26 0.56 1.04 4.64 -1.86 0.37 113.55 118.53 3ik9 h SER 18 Ca 0.03 0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.15 3ik9 h SER 18 Cb 0.19 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3ik9 h SER 18 CO -0.00 0.13 -0.96 0.74 -0.87 0.00 0.00 176.83 175.86 3ik9 h THR 19 N 0.27 1.49 0.56 2.95 2.02 -1.70 -0.58 112.91 117.92 3ik9 h THR 19 Ca 0.37 -2.71 -0.03 0.00 0.77 0.00 0.00 66.41 64.81 3ik9 h THR 19 Cb 1.04 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 70.02 3ik9 h THR 19 CO -0.09 0.79 -0.27 0.03 0.37 0.00 0.00 175.52 176.35 3ik9 h ARG 20 N 0.12 -0.73 -0.93 6.66 3.08 0.04 -0.84 114.38 121.79 3ik9 h ARG 20 Ca -0.07 0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.30 3ik9 h ARG 20 Cb 1.62 0.17 -0.16 0.00 0.08 0.00 0.00 29.97 31.67 3ik9 h ARG 20 CO 0.15 -0.42 0.16 -1.49 -1.07 0.00 0.00 179.97 177.30 3ik9 h TRP 21 N -1.01 0.20 -0.14 3.04 4.06 -1.09 -0.32 115.95 120.69 3ik9 h TRP 21 Ca -0.08 0.06 -0.18 0.00 2.06 0.00 0.00 58.89 60.75 3ik9 h TRP 21 Cb 0.64 0.06 0.01 0.00 -1.00 0.00 0.00 29.16 28.88 3ik9 h TRP 21 CO 0.00 -0.34 -0.63 1.25 -3.56 0.00 0.00 178.44 175.16 3ik9 h LEU 22 N 0.09 0.80 -0.87 -4.49 5.85 -0.90 -1.85 115.31 113.94 3ik9 h LEU 22 Ca 0.59 -0.63 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3ik9 h LEU 22 Cb 1.25 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3ik9 h LEU 22 CO -0.78 1.29 0.01 -0.07 -0.34 0.00 0.00 178.44 178.55 3ik9 h LEU 23 N 0.35 0.82 0.56 2.25 3.38 -0.62 -2.60 115.31 119.45 3ik9 h LEU 23 Ca -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3ik9 h LEU 23 Cb 1.27 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.81 3ik9 h LEU 23 CO 0.13 0.88 -0.27 0.00 0.09 0.00 0.00 178.44 179.27 3ik9 h ALA 24 N 1.22 -0.75 -1.08 1.53 0.00 -1.10 0.44 119.26 119.51 3ik9 h ALA 24 Ca 0.15 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.17 3ik9 h ALA 24 Cb 0.46 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 3ik9 h ALA 24 CO 0.02 -0.87 0.72 0.00 0.00 0.00 0.00 179.25 179.13 3ik9 h ALA 25 N -0.50 2.52 -0.34 0.00 0.00 -1.24 0.35 119.26 120.04 3ik9 h ALA 25 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ik9 h ALA 25 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ik9 h ALA 25 CO 0.13 -0.90 0.00 0.00 0.00 0.00 0.00 179.25 178.47 3ik9 n ALA 26 N -2.57 2.45 -2.54 0.00 0.00 -0.99 -4.74 120.51 112.13 3ik9 n ALA 26 Ca 0.25 -0.83 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 3ik9 n ALA 26 Cb 1.00 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.50 3ik9 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik9 n GLY 27 N 1.36 0.22 3.58 0.00 0.00 0.12 -5.03 105.19 105.44 3ik9 n GLY 27 Ca 0.18 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3ik9 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ik9 s VAL 28 N -2.76 4.61 0.25 1.61 1.01 0.12 -5.03 120.40 120.20 3ik9 s VAL 28 Ca 0.11 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3ik9 s VAL 28 Cb -0.05 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 3ik9 s VAL 28 CO 0.14 0.43 0.97 -1.61 0.00 0.00 0.00 175.10 175.03 3ik9 s GLU 29 N 0.68 4.82 0.07 2.72 2.02 -1.26 -4.30 118.70 123.44 3ik9 s GLU 29 Ca 0.03 1.55 0.01 0.00 0.02 0.00 0.00 54.97 56.58 3ik9 s GLU 29 Cb -0.13 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 3ik9 s GLU 29 CO 0.02 0.46 -0.05 -0.59 0.02 0.00 0.00 175.26 175.11 3ik9 s PHE 30 N -1.17 0.70 0.40 1.61 -0.12 -1.26 -3.97 117.98 114.16 3ik9 s PHE 30 Ca 0.42 -0.90 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 3ik9 s PHE 30 Cb -0.27 -0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 41.67 3ik9 s PHE 30 CO 0.34 -0.23 0.58 -1.21 -0.05 0.00 0.00 175.22 174.66 3ik9 s GLU 31 N -3.49 3.11 -0.04 1.99 2.02 0.77 -4.97 118.70 118.09 3ik9 s GLU 31 Ca 0.06 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.38 3ik9 s GLU 31 Cb 0.04 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.63 3ik9 s GLU 31 CO -0.06 -0.11 -0.01 -1.21 0.02 0.00 0.00 175.26 173.89 3ik9 s GLU 32 N -4.39 0.45 -0.33 1.61 2.02 -1.26 -0.97 118.70 115.83 3ik9 s GLU 32 Ca 0.46 0.03 -0.09 0.00 0.02 0.00 0.00 54.97 55.40 3ik9 s GLU 32 Cb -0.10 -0.61 0.02 0.00 0.10 0.00 0.00 34.13 33.54 3ik9 s GLU 32 CO 0.35 -0.13 0.14 0.21 0.02 0.00 0.00 175.26 175.85 3ik9 s LYS 33 N 1.07 2.98 0.17 1.61 2.20 -0.67 -4.90 119.74 122.19 3ik9 s LYS 33 Ca -0.09 -0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 54.27 3ik9 s LYS 33 Cb -0.14 -3.55 -0.07 0.00 -1.51 0.00 0.00 37.83 32.56 3ik9 s LYS 33 CO -0.01 -0.56 1.02 -0.06 -0.36 0.00 0.00 175.35 175.38 3ik9 s PHE 34 N 1.53 3.74 -0.57 4.03 0.08 -1.26 -3.35 117.98 122.19 3ik9 s PHE 34 Ca 0.02 1.73 -0.27 0.00 0.12 0.00 0.00 56.93 58.54 3ik9 s PHE 34 Cb -0.18 -3.14 0.03 0.00 -0.57 0.00 0.00 43.02 39.16 3ik9 s PHE 34 CO 0.05 -0.12 1.11 0.42 -0.10 0.00 0.00 175.22 176.58 3ik9 s ILE 35 N -0.36 4.14 -0.53 0.64 1.01 0.13 -4.91 121.20 121.33 3ik9 s ILE 35 Ca 0.47 0.72 0.21 0.00 0.00 0.00 0.00 60.65 62.04 3ik9 s ILE 35 Cb -0.27 -4.66 -0.27 0.00 0.01 0.00 0.00 42.46 37.27 3ik9 s ILE 35 CO 0.33 -1.26 0.68 0.29 0.00 0.00 0.00 174.94 174.98 3ik9 n LYS 36 N 8.11 0.45 -4.12 2.79 4.76 -1.26 -4.35 118.16 124.54 3ik9 n LYS 36 Ca 0.06 -0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 3ik9 n LYS 36 Cb 0.49 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.13 3ik9 n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ik9 s SER 37 N -3.61 0.40 0.45 4.39 1.04 -1.26 -5.03 113.70 110.09 3ik9 s SER 37 Ca 0.01 -1.30 0.17 0.00 0.48 0.00 0.00 55.95 55.30 3ik9 s SER 37 Cb 0.14 0.53 1.11 0.00 0.10 0.00 0.00 66.02 67.91 3ik9 s SER 37 CO 0.85 -1.07 1.96 0.00 0.98 0.00 0.00 173.24 175.97 3ik9 h ALA 38 N 2.33 2.14 -0.08 5.32 0.00 -1.91 -2.75 119.26 124.32 3ik9 h ALA 38 Ca -0.30 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 3ik9 h ALA 38 Cb 1.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ik9 h ALA 38 CO 0.42 -0.30 -0.74 0.93 0.00 0.00 0.00 179.25 179.57 3ik9 h GLU 39 N 0.33 0.42 -0.38 0.00 3.07 -1.95 -1.08 114.58 114.99 3ik9 h GLU 39 Ca 0.30 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3ik9 h GLU 39 Cb 0.73 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 3ik9 h GLU 39 CO -0.08 0.98 0.21 -0.44 -1.40 0.00 0.00 179.01 178.29 3ik9 h ASP 40 N 0.29 0.46 -0.49 1.42 3.32 -1.90 -0.05 116.42 119.48 3ik9 h ASP 40 Ca -0.03 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.97 3ik9 h ASP 40 Cb 1.31 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 3ik9 h ASP 40 CO 0.13 0.41 0.27 0.25 -1.72 0.00 0.00 179.24 178.57 3ik9 h LEU 41 N 0.48 0.41 -1.00 1.55 5.85 -1.37 -2.50 115.31 118.73 3ik9 h LEU 41 Ca 0.13 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3ik9 h LEU 41 Cb 0.04 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3ik9 h LEU 41 CO -0.02 0.29 -0.45 0.44 -0.34 0.00 0.00 178.44 178.36 3ik9 h ASP 42 N 0.53 0.00 0.02 1.25 3.32 -0.82 -0.39 116.42 120.33 3ik9 h ASP 42 Ca 0.20 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ik9 h ASP 42 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3ik9 h ASP 42 CO -0.12 0.45 -0.01 0.50 -1.72 0.00 0.00 179.24 178.34 3ik9 h LYS 43 N 0.00 -0.03 -0.02 3.56 1.63 -0.88 0.13 116.57 120.97 3ik9 h LYS 43 Ca -0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 3ik9 h LYS 43 Cb 0.88 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.48 3ik9 h LYS 43 CO 0.06 0.22 -0.21 -0.07 -3.45 0.00 0.00 179.45 175.99 3ik9 h LEU 44 N -0.27 -0.62 -0.07 5.20 3.38 -1.18 -1.04 115.31 120.71 3ik9 h LEU 44 Ca -0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3ik9 h LEU 44 Cb 0.26 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3ik9 h LEU 44 CO 0.00 -0.28 -0.20 0.03 0.09 0.00 0.00 178.44 178.09 3ik9 h ARG 45 N -0.33 -0.28 0.00 1.13 3.08 -0.98 -2.24 114.38 114.76 3ik9 h ARG 45 Ca 0.06 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3ik9 h ARG 45 Cb 0.41 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3ik9 h ARG 45 CO -0.21 -0.19 -0.21 -0.97 -1.07 0.00 0.00 179.97 177.33 3ik9 h ASN 46 N -0.29 0.00 -0.11 7.04 -1.24 -0.49 -0.41 115.58 120.08 3ik9 h ASN 46 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3ik9 h ASN 46 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 3ik9 h ASN 46 CO -0.23 0.21 0.00 0.47 -1.29 0.00 0.00 177.43 176.59 3ik9 n ASP 47 N -3.72 0.89 -2.11 1.15 8.00 -0.42 -4.92 116.55 115.42 3ik9 n ASP 47 Ca -0.01 -1.66 -0.13 0.00 0.71 0.00 0.00 54.79 53.69 3ik9 n ASP 47 Cb 0.32 -0.07 0.04 0.00 -0.02 0.00 0.00 41.12 41.39 3ik9 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ik9 n GLY 48 N 0.93 0.05 0.05 0.44 0.00 -0.16 -4.92 105.19 101.58 3ik9 n GLY 48 Ca 0.13 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3ik9 n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ik9 n TYR 49 N -3.96 0.45 -3.96 1.61 4.02 -0.86 -4.74 117.16 109.72 3ik9 n TYR 49 Ca -0.02 0.13 -0.30 0.00 -0.01 0.00 0.00 57.90 57.69 3ik9 n TYR 49 Cb 0.55 -0.58 -0.14 0.00 -0.02 0.00 0.00 39.34 39.14 3ik9 n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3ik9 s LEU 50 N -4.26 4.37 0.32 7.72 1.43 -1.26 -4.90 118.68 122.10 3ik9 s LEU 50 Ca 0.03 -2.82 0.05 0.00 -1.03 0.00 0.00 54.13 50.37 3ik9 s LEU 50 Cb 0.13 -1.62 0.86 0.00 0.03 0.00 0.00 46.19 45.59 3ik9 s LEU 50 CO 0.78 -0.26 1.59 -0.03 0.23 0.00 0.00 176.35 178.65 3ik9 h MET 51 N 6.74 0.04 -0.35 1.70 1.85 -1.87 0.21 114.93 123.25 3ik9 h MET 51 Ca -0.07 -0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.86 3ik9 h MET 51 Cb 0.92 -0.01 -0.09 0.00 0.43 0.00 0.00 31.60 32.84 3ik9 h MET 51 CO 0.65 0.03 -0.04 1.19 -0.40 0.00 0.00 176.91 178.33 3ik9 n PHE 52 N -5.39 1.10 -1.00 1.39 3.72 -1.26 -4.95 117.46 111.07 3ik9 n PHE 52 Ca 0.26 -1.49 0.00 0.00 -0.05 0.00 0.00 57.45 56.17 3ik9 n PHE 52 Cb 0.85 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 3ik9 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ik9 n GLN 53 N -1.03 -1.20 -4.27 -1.08 6.02 0.73 -4.96 117.38 111.58 3ik9 n GLN 53 Ca 0.32 0.30 -0.16 0.00 -0.01 0.00 0.00 57.00 57.45 3ik9 n GLN 53 Cb 1.03 -4.20 -0.10 0.00 1.02 0.00 0.00 30.24 27.98 3ik9 n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ik9 s GLN 54 N -1.20 1.13 0.28 -1.09 -0.21 -1.26 -4.93 119.66 112.37 3ik9 s GLN 54 Ca 0.00 -1.44 0.08 0.00 0.02 0.00 0.00 55.36 54.02 3ik9 s GLN 54 Cb 0.00 -0.82 -0.04 0.00 1.00 0.00 0.00 33.01 33.16 3ik9 s GLN 54 CO 0.00 0.13 0.12 0.14 -2.12 0.00 0.00 175.29 173.55 3ik9 s VAL 55 N -2.98 3.80 0.56 1.09 -7.23 -1.26 -4.65 120.40 109.72 3ik9 s VAL 55 Ca 0.17 -1.64 -0.20 0.00 -1.81 0.00 0.00 61.98 58.50 3ik9 s VAL 55 Cb 0.00 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 3ik9 s VAL 55 CO 0.03 -0.32 1.20 -2.16 -0.31 0.00 0.00 175.10 173.54 3ik9 s PRO 56 N -3.79 3.19 -0.01 4.82 0.04 -1.26 -4.99 135.00 132.99 3ik9 s PRO 56 Ca 0.34 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.23 3ik9 s PRO 56 Cb -0.06 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3ik9 s PRO 56 CO 0.23 -1.03 -0.10 1.41 0.04 0.00 0.00 177.00 177.55 3ik9 s MET 57 N -3.17 0.87 -0.13 4.56 1.75 -1.06 -3.84 119.30 118.28 3ik9 s MET 57 Ca 0.74 -0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 3ik9 s MET 57 Cb -0.30 -0.83 0.02 0.00 2.84 0.00 0.00 34.83 36.56 3ik9 s MET 57 CO 0.34 0.19 -0.11 0.08 -0.65 0.00 0.00 175.02 174.87 3ik9 s VAL 58 N -0.14 1.29 -0.34 10.11 1.01 0.03 -0.39 120.40 131.98 3ik9 s VAL 58 Ca 0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 3ik9 s VAL 58 Cb -0.05 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3ik9 s VAL 58 CO -0.00 0.41 1.00 -1.61 0.00 0.00 0.00 175.10 174.90 3ik9 s GLU 59 N 1.55 3.98 -0.13 2.72 2.02 -0.63 -0.54 118.70 127.67 3ik9 s GLU 59 Ca 0.04 0.85 -0.14 0.00 0.02 0.00 0.00 54.97 55.74 3ik9 s GLU 59 Cb -0.13 -3.76 0.04 0.00 0.10 0.00 0.00 34.13 30.38 3ik9 s GLU 59 CO -0.09 -0.90 0.38 -1.50 0.02 0.00 0.00 175.26 173.17 3ik9 s ILE 60 N 3.54 0.01 -1.36 -1.63 2.07 -0.71 -2.25 121.20 120.87 3ik9 s ILE 60 Ca 0.42 -0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.54 3ik9 s ILE 60 Cb -0.12 -0.56 0.01 0.00 0.13 0.00 0.00 42.46 41.91 3ik9 s ILE 60 CO 0.16 -0.04 0.09 0.47 -1.91 0.00 0.00 174.94 173.72 3ik9 n ASP 61 N 2.61 0.18 0.00 4.50 8.00 -1.26 0.05 116.55 130.63 3ik9 n ASP 61 Ca -0.14 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3ik9 n ASP 61 Cb 0.57 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 3ik9 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ik9 n GLY 62 N -2.38 2.00 3.82 0.44 0.00 -1.26 -5.01 105.19 102.80 3ik9 n GLY 62 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 3ik9 n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ik9 s MET 63 N -0.03 2.68 -0.69 1.61 -1.94 0.11 -5.08 119.30 115.96 3ik9 s MET 63 Ca 0.00 -1.31 0.02 0.00 -1.71 0.00 0.00 55.69 52.69 3ik9 s MET 63 Cb 0.00 -2.43 0.17 0.00 2.01 0.00 0.00 34.83 34.58 3ik9 s MET 63 CO 0.00 0.14 0.49 0.15 -0.01 0.00 0.00 175.02 175.79 3ik9 s LYS 64 N -3.94 2.52 -0.25 2.03 1.02 -1.26 -1.74 119.74 118.12 3ik9 s LYS 64 Ca 0.39 -3.06 -0.28 0.00 0.02 0.00 0.00 55.97 53.05 3ik9 s LYS 64 Cb -0.06 -3.55 0.01 0.00 -0.52 0.00 0.00 37.83 33.71 3ik9 s LYS 64 CO 0.26 -1.22 0.98 -0.51 -0.92 0.00 0.00 175.35 173.93 3ik9 s LEU 65 N -0.98 4.07 0.56 3.17 1.43 0.30 -4.83 118.68 122.39 3ik9 s LEU 65 Ca 0.22 1.20 0.08 0.00 -1.03 0.00 0.00 54.13 54.60 3ik9 s LEU 65 Cb -0.12 -3.43 0.06 0.00 0.03 0.00 0.00 46.19 42.72 3ik9 s LEU 65 CO -0.10 -0.67 0.60 0.68 0.23 0.00 0.00 176.35 177.09 3ik9 s VAL 66 N 3.18 1.90 0.12 -1.59 -7.23 -1.26 -0.79 120.40 114.74 3ik9 s VAL 66 Ca 0.41 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 3ik9 s VAL 66 Cb -0.15 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3ik9 s VAL 66 CO 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.87 3ik9 n GLN 67 N -2.00 -4.48 -0.25 4.82 1.13 -1.25 -4.43 117.38 110.92 3ik9 n GLN 67 Ca 0.07 3.29 0.01 0.00 -1.94 0.00 0.00 57.00 58.43 3ik9 n GLN 67 Cb 0.63 -3.66 0.08 0.00 0.11 0.00 0.00 30.24 27.40 3ik9 n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ik9 h THR 68 N 3.52 0.26 0.00 5.09 2.02 -1.91 -0.93 112.91 120.96 3ik9 h THR 68 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3ik9 h THR 68 Cb 0.00 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3ik9 h THR 68 CO 0.00 0.00 -0.36 0.03 0.37 0.00 0.00 175.52 175.56 3ik9 h ARG 69 N -0.01 0.00 -0.08 6.66 3.08 -1.97 0.08 114.38 122.14 3ik9 h ARG 69 Ca 0.35 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.21 3ik9 h ARG 69 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3ik9 h ARG 69 CO -0.76 0.36 -0.72 0.00 -1.07 0.00 0.00 179.97 177.78 3ik9 h ALA 70 N 1.64 0.60 -0.05 0.04 0.00 -1.43 -1.39 119.26 118.67 3ik9 h ALA 70 Ca -0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 3ik9 h ALA 70 Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ik9 h ALA 70 CO 0.05 0.76 -0.15 0.82 0.00 0.00 0.00 179.25 180.72 3ik9 h ILE 71 N 0.28 1.45 0.33 0.00 2.04 -0.93 -2.96 117.51 117.72 3ik9 h ILE 71 Ca -0.03 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 3ik9 h ILE 71 Cb 1.30 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 3ik9 h ILE 71 CO 0.12 0.43 -0.16 -0.07 0.00 0.00 0.00 178.15 178.48 3ik9 h LEU 72 N -0.36 -0.37 -1.31 1.44 3.38 -1.03 -1.90 115.31 115.15 3ik9 h LEU 72 Ca -0.01 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.08 3ik9 h LEU 72 Cb 0.78 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 3ik9 h LEU 72 CO 0.03 -0.24 0.56 0.78 0.09 0.00 0.00 178.44 179.66 3ik9 h ASN 73 N -0.48 0.65 -0.26 -0.43 2.35 -1.36 0.50 115.58 116.56 3ik9 h ASN 73 Ca -0.05 0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 3ik9 h ASN 73 Cb 0.36 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3ik9 h ASN 73 CO 0.07 0.35 -0.49 0.22 -1.65 0.00 0.00 177.43 175.93 3ik9 h TYR 74 N 0.70 0.99 -0.20 1.19 3.20 -1.35 -1.85 116.97 119.64 3ik9 h TYR 74 Ca 0.42 -0.35 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 3ik9 h TYR 74 Cb 0.63 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3ik9 h TYR 74 CO -0.00 1.16 -0.35 0.82 -1.64 0.00 0.00 178.16 178.14 3ik9 h ILE 75 N 0.53 1.33 -0.40 1.81 2.04 -0.53 -1.97 117.51 120.31 3ik9 h ILE 75 Ca 0.01 -1.58 0.08 0.00 1.00 0.00 0.00 64.86 64.38 3ik9 h ILE 75 Cb 1.10 1.85 -0.09 0.00 -0.74 0.00 0.00 36.82 38.95 3ik9 h ILE 75 CO 0.11 0.49 -0.20 0.00 0.00 0.00 0.00 178.15 178.55 3ik9 h ALA 76 N 0.60 0.10 0.15 1.87 0.00 -0.03 -2.24 119.26 119.72 3ik9 h ALA 76 Ca 0.01 0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 3ik9 h ALA 76 Cb 0.95 0.48 0.02 0.00 0.00 0.00 0.00 17.79 19.23 3ik9 h ALA 76 CO 0.08 -0.56 -1.28 0.66 0.00 0.00 0.00 179.25 178.14 3ik9 h SER 77 N -0.12 0.65 -0.78 0.00 4.64 -1.32 0.50 113.55 117.11 3ik9 h SER 77 Ca 0.20 -0.66 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ik9 h SER 77 Cb 0.43 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3ik9 h SER 77 CO -0.48 1.50 0.47 0.50 -0.87 0.00 0.00 176.83 177.95 3ik9 h LYS 78 N 0.15 1.06 -0.95 4.77 3.64 -1.29 -2.41 116.57 121.55 3ik9 h LYS 78 Ca -0.18 -0.10 -0.40 0.00 -1.27 0.00 0.00 60.65 58.70 3ik9 h LYS 78 Cb 1.98 -0.22 -0.24 0.00 -0.41 0.00 0.00 32.23 33.34 3ik9 h LYS 78 CO 0.23 0.75 0.51 0.66 -2.27 0.00 0.00 179.45 179.33 3ik9 n TYR 79 N -4.48 2.65 -4.24 1.91 4.01 -0.85 -4.94 117.16 111.22 3ik9 n TYR 79 Ca 0.08 -1.57 -0.33 0.00 -0.16 0.00 0.00 57.90 55.92 3ik9 n TYR 79 Cb 0.06 -0.82 -0.06 0.00 -0.31 0.00 0.00 39.34 38.20 3ik9 n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ik9 n ASN 80 N -0.77 -0.88 -0.88 7.72 3.02 -0.91 -4.86 115.26 117.71 3ik9 n ASN 80 Ca 0.50 -1.14 0.07 0.00 -0.03 0.00 0.00 54.58 53.98 3ik9 n ASN 80 Cb 1.50 -2.26 0.22 0.00 -0.61 0.00 0.00 39.78 38.63 3ik9 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ik9 n LEU 81 N -4.40 3.43 -1.17 3.41 4.77 0.17 -4.57 117.00 118.65 3ik9 n LEU 81 Ca -0.15 -2.22 -0.03 0.00 -0.03 0.00 0.00 56.01 53.58 3ik9 n LEU 81 Cb 0.60 -0.36 0.21 0.00 -2.33 0.00 0.00 43.42 41.55 3ik9 n LEU 81 CO 0.85 0.76 0.73 0.00 -1.33 0.00 0.00 177.39 178.40 3ik9 n TYR 82 N 0.55 1.18 -3.09 -1.77 4.19 -1.07 -1.17 117.16 115.98 3ik9 n TYR 82 Ca 0.16 -1.46 0.01 0.00 3.31 0.00 0.00 57.90 59.92 3ik9 n TYR 82 Cb 0.58 -0.48 -0.00 0.00 0.49 0.00 0.00 39.34 39.93 3ik9 n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3ik9 n GLY 83 N -1.00 -1.97 0.01 2.98 0.00 -1.26 -4.37 105.19 99.57 3ik9 n GLY 83 Ca 0.32 -1.38 0.01 0.00 0.00 0.00 0.00 46.02 44.98 3ik9 n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ik9 n LYS 84 N -0.75 5.75 -3.85 1.61 2.85 -1.26 -4.99 118.16 117.53 3ik9 n LYS 84 Ca 0.00 -0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 57.13 3ik9 n LYS 84 Cb 0.04 -0.65 -0.04 0.00 -0.65 0.00 0.00 35.03 33.73 3ik9 n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3ik9 s ASP 85 N -1.18 -0.20 0.29 -5.58 1.47 -1.26 -5.05 116.67 105.15 3ik9 s ASP 85 Ca 0.01 -0.65 0.03 0.00 1.18 0.00 0.00 52.55 53.13 3ik9 s ASP 85 Cb 0.02 0.60 0.68 0.00 -0.34 0.00 0.00 42.92 43.88 3ik9 s ASP 85 CO 0.10 -1.13 1.75 -0.29 0.68 0.00 0.00 175.17 176.28 3ik9 h ILE 86 N 2.19 0.65 0.00 2.11 2.10 -1.97 -1.03 117.51 121.57 3ik9 h ILE 86 Ca -0.26 -0.22 -0.14 0.00 1.08 0.00 0.00 64.86 65.32 3ik9 h ILE 86 Cb 1.25 -0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 36.94 3ik9 h ILE 86 CO 0.34 0.11 -0.67 0.11 -1.08 0.00 0.00 178.15 176.97 3ik9 h LYS 87 N 0.63 0.00 -0.18 2.19 1.57 -1.99 -1.58 116.57 117.22 3ik9 h LYS 87 Ca 0.54 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.30 3ik9 h LYS 87 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3ik9 h LYS 87 CO -0.41 0.67 0.04 0.93 -0.57 0.00 0.00 179.45 180.10 3ik9 h GLU 88 N 0.00 0.28 -0.34 3.15 5.08 -1.65 -2.55 114.58 118.55 3ik9 h GLU 88 Ca -0.01 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3ik9 h GLU 88 Cb 1.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 3ik9 h GLU 88 CO 0.09 0.43 0.23 0.00 -1.00 0.00 0.00 179.01 178.76 3ik9 h ARG 89 N 0.09 0.23 -0.30 2.33 3.08 -0.95 0.37 114.38 119.22 3ik9 h ARG 89 Ca 0.05 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.91 3ik9 h ARG 89 Cb 0.28 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ik9 h ARG 89 CO 0.00 0.15 -0.52 0.00 -1.07 0.00 0.00 179.97 178.53 3ik9 h ALA 90 N 1.82 0.47 -0.13 0.04 0.00 -1.18 0.41 119.26 120.69 3ik9 h ALA 90 Ca 0.15 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3ik9 h ALA 90 Cb 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ik9 h ALA 90 CO -0.03 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.81 3ik9 h LEU 91 N 0.68 0.24 -0.11 0.00 3.38 -0.93 -1.06 115.31 117.51 3ik9 h LEU 91 Ca 0.02 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3ik9 h LEU 91 Cb 1.13 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3ik9 h LEU 91 CO 0.12 0.53 -0.09 0.40 0.09 0.00 0.00 178.44 179.48 3ik9 h ILE 92 N -0.05 0.73 -0.67 1.22 2.04 -0.15 -1.72 117.51 118.91 3ik9 h ILE 92 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3ik9 h ILE 92 Cb 0.41 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3ik9 h ILE 92 CO 0.01 0.00 0.40 0.44 0.00 0.00 0.00 178.15 179.00 3ik9 h ASP 93 N -0.11 0.81 -0.70 1.72 3.32 -0.15 -0.54 116.42 120.76 3ik9 h ASP 93 Ca 0.07 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3ik9 h ASP 93 Cb 0.22 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3ik9 h ASP 93 CO -0.18 0.63 0.43 -0.03 -1.72 0.00 0.00 179.24 178.37 3ik9 h MET 94 N 0.91 0.80 -0.01 3.56 4.05 -0.94 -1.96 114.93 121.34 3ik9 h MET 94 Ca 0.24 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.61 3ik9 h MET 94 Cb -0.02 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 3ik9 h MET 94 CO -0.04 0.53 -0.01 1.88 0.23 0.00 0.00 176.91 179.50 3ik9 h TYR 95 N 0.82 0.02 0.00 1.39 0.05 -0.31 -2.89 116.97 116.05 3ik9 h TYR 95 Ca 0.29 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.07 3ik9 h TYR 95 Cb 0.07 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3ik9 h TYR 95 CO -0.05 0.52 0.00 -0.84 -1.05 0.00 0.00 178.16 176.74 3ik9 h ILE 96 N -0.49 0.00 0.14 -2.88 3.07 -1.10 -1.70 117.51 114.54 3ik9 h ILE 96 Ca 0.00 -0.36 -0.26 0.00 1.55 0.00 0.00 64.86 65.79 3ik9 h ILE 96 Cb 0.52 1.24 0.03 0.00 -0.27 0.00 0.00 36.82 38.33 3ik9 h ILE 96 CO 0.00 0.00 -1.12 -0.33 -1.05 0.00 0.00 178.15 175.66 3ik9 h GLU 97 N 0.00 0.51 -0.57 0.16 4.39 -1.29 0.74 114.58 118.52 3ik9 h GLU 97 Ca 0.00 -0.74 0.05 0.00 0.34 0.00 0.00 59.36 59.01 3ik9 h GLU 97 Cb 0.42 0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 3ik9 h GLU 97 CO 0.00 1.33 0.30 0.78 -1.16 0.00 0.00 179.01 180.26 3ik9 h GLY 98 N 0.05 0.81 0.92 -3.84 0.00 -1.24 -1.49 103.07 98.29 3ik9 h GLY 98 Ca -0.18 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 46.95 3ik9 h GLY 98 CO 0.21 0.13 0.17 -2.22 0.00 0.00 0.00 176.54 174.83 3ik9 h ILE 99 N 0.58 1.02 -0.08 2.60 2.04 -1.26 -2.79 117.51 119.62 3ik9 h ILE 99 Ca 0.25 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 3ik9 h ILE 99 Cb 0.15 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3ik9 h ILE 99 CO -0.16 0.06 -0.26 0.00 0.00 0.00 0.00 178.15 177.79 3ik9 h ALA 100 N 1.13 1.41 -0.38 1.87 0.00 -0.55 0.21 119.26 122.96 3ik9 h ALA 100 Ca 0.12 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3ik9 h ALA 100 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ik9 h ALA 100 CO -0.06 0.42 0.01 -0.44 0.00 0.00 0.00 179.25 179.18 3ik9 h ASP 101 N 0.13 0.56 0.02 0.00 3.32 -1.05 -0.69 116.42 118.71 3ik9 h ASP 101 Ca 0.02 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3ik9 h ASP 101 Cb 0.54 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3ik9 h ASP 101 CO 0.04 0.62 -0.01 0.25 -1.72 0.00 0.00 179.24 178.42 3ik9 h LEU 102 N 0.57 -0.02 -0.92 1.55 5.85 -1.11 -3.23 115.31 117.99 3ik9 h LEU 102 Ca 0.12 -0.76 0.26 0.00 0.84 0.00 0.00 57.88 58.35 3ik9 h LEU 102 Cb 0.35 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.24 3ik9 h LEU 102 CO 0.01 0.80 0.37 1.23 -0.34 0.00 0.00 178.44 180.51 3ik9 h GLY 103 N -0.89 1.62 0.93 3.75 0.00 -0.64 -0.72 103.07 107.11 3ik9 h GLY 103 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3ik9 h GLY 103 CO 0.00 -0.39 0.45 -2.09 0.00 0.00 0.00 176.54 174.51 3ik9 h GLU 104 N 0.28 0.87 -0.48 4.80 4.57 -1.19 0.13 114.58 123.56 3ik9 h GLU 104 Ca 0.61 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.69 3ik9 h GLU 104 Cb 1.28 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 3ik9 h GLU 104 CO -0.62 0.58 0.12 0.52 -1.18 0.00 0.00 179.01 178.43 3ik9 h MET 105 N 0.90 0.76 -0.21 1.92 2.86 -1.16 -1.49 114.93 118.50 3ik9 h MET 105 Ca 0.27 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3ik9 h MET 105 Cb -0.04 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3ik9 h MET 105 CO -0.09 0.74 0.12 0.82 1.06 0.00 0.00 176.91 179.56 3ik9 h ILE 106 N 0.65 1.11 -0.87 -1.22 2.04 -1.06 -1.16 117.51 116.99 3ik9 h ILE 106 Ca 0.15 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.78 3ik9 h ILE 106 Cb 0.32 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3ik9 h ILE 106 CO 0.00 0.11 0.57 0.40 0.00 0.00 0.00 178.15 179.23 3ik9 h ILE 107 N 0.24 1.05 0.00 -0.67 2.04 -0.57 -2.54 117.51 117.06 3ik9 h ILE 107 Ca 0.07 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 3ik9 h ILE 107 Cb 0.07 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 3ik9 h ILE 107 CO -0.01 0.18 -0.84 0.24 0.00 0.00 0.00 178.15 177.71 3ik9 h MET 108 N 0.97 0.00 -0.82 2.37 2.86 -1.06 -3.40 114.93 115.84 3ik9 h MET 108 Ca 0.38 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 58.20 3ik9 h MET 108 Cb 0.23 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.78 3ik9 h MET 108 CO -0.14 0.32 0.32 1.25 1.06 0.00 0.00 176.91 179.71 3ik9 h LEU 109 N 0.00 0.25 -1.13 1.22 5.85 -0.76 -0.66 115.31 120.07 3ik9 h LEU 109 Ca -0.06 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ik9 h LEU 109 Cb 1.37 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3ik9 h LEU 109 CO 0.04 0.03 0.00 -2.65 -0.34 0.00 0.00 178.44 175.52 3ik9 n PRO 110 N -5.05 0.16 0.03 5.25 -0.02 -1.26 -2.21 135.00 131.89 3ik9 n PRO 110 Ca 0.18 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 3ik9 n PRO 110 Cb 0.53 -1.92 0.06 0.00 -0.02 0.00 0.00 33.50 32.15 3ik9 n PRO 110 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ik9 n PHE 111 N -2.23 0.28 -1.40 6.00 3.01 -0.26 -4.95 117.46 117.92 3ik9 n PHE 111 Ca -0.00 0.08 -0.40 0.00 1.01 0.00 0.00 57.45 58.14 3ik9 n PHE 111 Cb 0.10 -0.44 0.02 0.00 -0.01 0.00 0.00 39.48 39.15 3ik9 n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ik9 s PRO 113 N -1.58 4.15 0.55 0.00 0.02 -1.26 -4.82 135.00 132.07 3ik9 s PRO 113 Ca 0.63 2.52 0.50 0.00 0.02 0.00 0.00 61.00 64.68 3ik9 s PRO 113 Cb -0.52 -3.01 1.74 0.00 0.02 0.00 0.00 34.50 32.73 3ik9 s PRO 113 CO 0.59 -0.53 1.57 -2.30 -0.33 0.00 0.00 177.00 175.99 3ik9 n PRO 114 N 1.31 -0.00 -0.18 5.54 -0.02 -1.26 -0.23 135.00 140.17 3ik9 n PRO 114 Ca 0.04 1.09 0.06 0.00 -2.02 0.00 0.00 63.50 62.68 3ik9 n PRO 114 Cb 0.39 -2.51 0.18 0.00 -0.02 0.00 0.00 33.50 31.53 3ik9 n PRO 114 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3ik9 n GLU 115 N -3.95 1.83 0.00 -0.52 0.00 -1.26 -3.82 120.64 112.91 3ik9 n GLU 115 Ca 0.45 -1.28 0.00 0.00 0.00 0.00 0.00 57.16 56.33 3ik9 n GLU 115 Cb 2.02 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 32.17 3ik9 n GLU 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ik9 n GLU 116 N 0.54 2.66 -0.23 3.44 1.02 0.68 -4.83 120.64 123.91 3ik9 n GLU 116 Ca 0.12 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 3ik9 n GLU 116 Cb 0.31 -0.72 0.15 0.00 -0.02 0.00 0.00 31.44 31.16 3ik9 n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ik9 h LYS 117 N 0.00 0.25 -0.80 3.49 1.57 -1.63 -0.46 116.57 119.00 3ik9 h LYS 117 Ca 0.00 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3ik9 h LYS 117 Cb 0.00 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 3ik9 h LYS 117 CO 0.00 0.17 0.51 -0.44 -0.57 0.00 0.00 179.45 179.12 3ik9 h ASP 118 N 0.26 0.83 -0.01 0.86 3.45 -1.88 0.13 116.42 120.06 3ik9 h ASP 118 Ca 0.38 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.79 3ik9 h ASP 118 Cb 0.61 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3ik9 h ASP 118 CO -0.48 0.57 -0.17 0.00 -1.57 0.00 0.00 179.24 177.59 3ik9 h ALA 119 N 1.35 0.04 0.00 3.45 0.00 -1.52 -2.17 119.26 120.41 3ik9 h ALA 119 Ca 0.33 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ik9 h ALA 119 Cb 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ik9 h ALA 119 CO -0.13 0.02 -0.13 -0.22 0.00 0.00 0.00 179.25 178.79 3ik9 h LYS 120 N -0.52 0.00 -0.00 0.00 3.64 -1.11 -1.04 116.57 117.53 3ik9 h LYS 120 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ik9 h LYS 120 Cb 0.89 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3ik9 h LYS 120 CO 0.03 0.13 0.00 1.25 -2.27 0.00 0.00 179.45 178.60 3ik9 h LEU 121 N 0.00 0.01 -0.59 5.20 5.85 -0.94 -2.50 115.31 122.34 3ik9 h LEU 121 Ca -0.00 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3ik9 h LEU 121 Cb 0.43 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3ik9 h LEU 121 CO 0.02 0.30 0.35 0.00 -0.34 0.00 0.00 178.44 178.77 3ik9 h ALA 122 N 0.71 0.75 -1.00 1.25 0.00 -0.72 -1.08 119.26 119.17 3ik9 h ALA 122 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ik9 h ALA 122 Cb 0.30 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3ik9 h ALA 122 CO 0.00 0.24 0.66 1.25 0.00 0.00 0.00 179.25 181.40 3ik9 h LEU 123 N 0.80 1.12 -0.24 0.00 5.85 -1.27 0.11 115.31 121.68 3ik9 h LEU 123 Ca 0.21 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3ik9 h LEU 123 Cb -0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3ik9 h LEU 123 CO -0.04 0.78 0.07 0.40 -0.34 0.00 0.00 178.44 179.31 3ik9 h ILE 124 N 1.31 1.20 -0.82 4.05 2.04 -1.09 -0.81 117.51 123.38 3ik9 h ILE 124 Ca 0.39 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3ik9 h ILE 124 Cb -0.07 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3ik9 h ILE 124 CO -0.11 0.20 0.53 0.11 0.00 0.00 0.00 178.15 178.88 3ik9 h LYS 125 N 0.21 0.99 -0.30 2.37 1.57 -0.69 0.34 116.57 121.07 3ik9 h LYS 125 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3ik9 h LYS 125 Cb 0.25 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3ik9 h LYS 125 CO -0.00 0.66 0.12 1.49 -0.57 0.00 0.00 179.45 181.14 3ik9 h GLU 126 N 1.02 0.45 -0.16 3.15 4.22 -0.63 -2.51 114.58 120.12 3ik9 h GLU 126 Ca 0.33 -0.08 -0.10 0.00 0.08 0.00 0.00 59.36 59.58 3ik9 h GLU 126 Cb 0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3ik9 h GLU 126 CO -0.11 0.47 -0.35 0.87 -2.18 0.00 0.00 179.01 177.70 3ik9 h LYS 127 N 0.33 0.33 -0.69 1.92 1.57 -0.69 -0.22 116.57 119.13 3ik9 h LYS 127 Ca 0.10 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3ik9 h LYS 127 Cb 0.19 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3ik9 h LYS 127 CO -0.01 0.64 0.24 0.82 -0.57 0.00 0.00 179.45 180.57 3ik9 h ILE 128 N 0.28 1.25 0.18 1.86 2.04 -0.73 0.15 117.51 122.54 3ik9 h ILE 128 Ca 0.03 -0.82 -0.30 0.00 1.00 0.00 0.00 64.86 64.77 3ik9 h ILE 128 Cb 0.76 0.46 0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3ik9 h ILE 128 CO 0.06 0.32 -1.43 0.50 0.00 0.00 0.00 178.15 177.60 3ik9 h LYS 129 N 1.01 0.38 0.00 2.37 3.64 -1.07 -2.01 116.57 120.88 3ik9 h LYS 129 Ca 0.23 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3ik9 h LYS 129 Cb 0.25 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3ik9 h LYS 129 CO -0.01 1.31 -1.16 0.09 -2.27 0.00 0.00 179.45 177.40 3ik9 n ASN 130 N -3.81 0.70 0.05 4.20 3.02 -0.13 -4.41 115.26 114.89 3ik9 n ASN 130 Ca -0.21 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 3ik9 n ASN 130 Cb 0.99 1.10 0.00 0.00 -0.61 0.00 0.00 39.78 41.26 3ik9 n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3ik9 n ARG 131 N -1.74 0.00 0.08 3.52 0.63 0.39 -4.83 116.66 114.71 3ik9 n ARG 131 Ca 0.02 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.83 3ik9 n ARG 131 Cb 0.40 -0.31 -0.13 0.00 0.45 0.00 0.00 32.46 32.86 3ik9 n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3ik9 h TYR 132 N 0.00 0.29 0.06 -0.14 0.05 -1.29 -2.94 116.97 113.00 3ik9 h TYR 132 Ca 0.00 -0.21 -0.22 0.00 0.05 0.00 0.00 58.73 58.35 3ik9 h TYR 132 Cb 0.00 -0.01 0.02 0.00 1.01 0.00 0.00 36.73 37.75 3ik9 h TYR 132 CO 0.00 1.18 -0.88 0.74 -1.05 0.00 0.00 178.16 178.14 3ik9 h PHE 133 N 0.04 0.78 -0.92 4.88 -1.00 -1.59 -2.80 116.94 116.34 3ik9 h PHE 133 Ca -0.10 -0.46 0.10 0.00 2.81 0.00 0.00 57.97 60.31 3ik9 h PHE 133 Cb 1.90 -0.07 -0.08 0.00 3.61 0.00 0.00 35.95 41.31 3ik9 h PHE 133 CO 0.04 1.31 0.56 -1.35 -1.61 0.00 0.00 178.31 177.25 3ik9 h PRO 134 N 0.03 0.90 -0.10 1.51 0.11 -1.77 0.36 132.00 133.04 3ik9 h PRO 134 Ca -0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3ik9 h PRO 134 Cb 1.59 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 3ik9 h PRO 134 CO 0.17 0.59 0.06 0.00 -0.21 0.00 0.00 178.00 178.62 3ik9 h ALA 135 N 1.48 0.13 0.08 -0.75 0.00 -1.45 0.32 119.26 119.07 3ik9 h ALA 135 Ca 0.44 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.07 3ik9 h ALA 135 Cb 0.38 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.15 3ik9 h ALA 135 CO -0.24 -0.39 -1.14 0.74 0.00 0.00 0.00 179.25 178.22 3ik9 h PHE 136 N 0.13 0.84 -0.26 0.00 0.04 -1.41 -2.52 116.94 113.77 3ik9 h PHE 136 Ca 0.04 -0.51 0.06 0.00 2.80 0.00 0.00 57.97 60.35 3ik9 h PHE 136 Cb -0.01 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.00 3ik9 h PHE 136 CO -0.07 1.36 -0.12 1.49 -0.60 0.00 0.00 178.31 180.36 3ik9 h GLU 137 N 0.25 -0.08 -0.68 1.51 4.57 -0.76 0.61 114.58 120.00 3ik9 h GLU 137 Ca -0.15 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.13 3ik9 h GLU 137 Cb 1.81 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 30.38 3ik9 h GLU 137 CO 0.21 -0.06 0.45 -0.22 -1.18 0.00 0.00 179.01 178.21 3ik9 h LYS 138 N -0.09 0.54 -0.43 1.92 3.64 -0.93 0.48 116.57 121.69 3ik9 h LYS 138 Ca 0.14 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3ik9 h LYS 138 Cb 0.30 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3ik9 h LYS 138 CO -0.32 0.35 0.12 0.28 -2.27 0.00 0.00 179.45 177.61 3ik9 h VAL 139 N 0.55 1.23 -0.04 2.00 2.07 -0.45 0.40 116.25 122.01 3ik9 h VAL 139 Ca 0.31 -0.77 -0.25 0.00 0.82 0.00 0.00 66.70 66.81 3ik9 h VAL 139 Cb 0.48 0.91 0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3ik9 h VAL 139 CO -0.10 0.27 -0.96 -0.07 0.02 0.00 0.00 177.57 176.73 3ik9 h LEU 140 N 0.55 0.91 -0.99 2.57 3.38 -0.32 -3.02 115.31 118.39 3ik9 h LEU 140 Ca 0.14 -0.71 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 3ik9 h LEU 140 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ik9 h LEU 140 CO -0.00 1.50 -0.19 0.50 0.09 0.00 0.00 178.44 180.34 3ik9 h LYS 141 N 0.42 0.50 0.14 1.13 1.63 -0.10 -1.89 116.57 118.41 3ik9 h LYS 141 Ca -0.11 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.51 3ik9 h LYS 141 Cb 1.61 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 3ik9 h LYS 141 CO 0.19 0.67 -0.07 0.77 -3.45 0.00 0.00 179.45 177.57 3ik9 h SER 142 N 0.46 -0.16 -0.09 4.20 0.02 -0.93 -3.24 113.55 113.81 3ik9 h SER 142 Ca 0.08 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3ik9 h SER 142 Cb 0.59 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3ik9 h SER 142 CO 0.04 0.43 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 3ik9 n HIS 143 N -4.89 0.11 -1.83 3.45 1.44 -1.14 -4.93 115.22 107.43 3ik9 n HIS 143 Ca -0.07 -0.05 -0.06 0.00 -2.01 0.00 0.00 57.72 55.53 3ik9 n HIS 143 Cb 0.25 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.34 3ik9 n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ik9 n GLY 144 N 1.00 0.04 3.80 -1.39 0.00 -0.71 -4.94 105.19 102.98 3ik9 n GLY 144 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3ik9 n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ik9 s GLN 145 N -3.78 2.72 0.00 1.61 -0.21 -1.24 -5.03 119.66 113.74 3ik9 s GLN 145 Ca 0.00 -1.23 0.25 0.00 0.02 0.00 0.00 55.36 54.40 3ik9 s GLN 145 Cb 0.00 -2.44 1.17 0.00 1.00 0.00 0.00 33.01 32.73 3ik9 s GLN 145 CO 0.00 0.27 1.79 -0.25 -2.12 0.00 0.00 175.29 174.98 3ik9 n ASP 146 N -1.20 0.94 -4.05 5.90 8.00 -1.26 -4.80 116.55 120.08 3ik9 n ASP 146 Ca -0.05 -1.43 -0.12 0.00 0.71 0.00 0.00 54.79 53.89 3ik9 n ASP 146 Cb 0.59 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 3ik9 n ASP 146 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ik9 s TYR 147 N -1.94 0.60 0.16 1.24 2.02 -1.26 -4.96 117.35 113.20 3ik9 s TYR 147 Ca 0.37 -0.51 -0.16 0.00 -0.37 0.00 0.00 57.07 56.39 3ik9 s TYR 147 Cb 0.19 -0.37 0.07 0.00 -0.40 0.00 0.00 41.96 41.45 3ik9 s TYR 147 CO 0.30 -0.10 1.74 -0.07 -1.57 0.00 0.00 175.55 175.84 3ik9 h LEU 148 N 4.51 0.06 -7.93 -1.29 3.38 -1.87 -3.42 115.31 108.75 3ik9 h LEU 148 Ca -0.35 0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.43 3ik9 h LEU 148 Cb 1.20 0.06 -0.25 0.00 0.09 0.00 0.00 40.66 41.76 3ik9 h LEU 148 CO 0.41 0.07 -0.72 -0.69 0.09 0.00 0.00 178.44 177.60 3ik9 s VAL 149 N -6.16 0.22 -0.22 1.22 1.01 -1.26 -4.84 120.40 110.36 3ik9 s VAL 149 Ca -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3ik9 s VAL 149 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.23 3ik9 s VAL 149 CO 0.71 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3ik9 n GLY 150 N 2.30 0.45 4.08 4.51 0.00 -1.26 -2.64 105.19 112.63 3ik9 n GLY 150 Ca -0.18 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 3ik9 n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ik9 n ASN 151 N -0.28 -2.89 -3.47 1.61 5.15 -1.26 -4.92 115.26 109.19 3ik9 n ASN 151 Ca -0.02 -0.89 -0.11 0.00 -0.60 0.00 0.00 54.58 52.97 3ik9 n ASN 151 Cb 0.25 -2.41 -0.02 0.00 -0.53 0.00 0.00 39.78 37.07 3ik9 n ASN 151 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3ik9 s LYS 152 N -6.76 1.19 0.11 1.20 -2.85 -1.08 -4.91 119.74 106.64 3ik9 s LYS 152 Ca 0.68 -0.46 -0.31 0.00 -1.00 0.00 0.00 55.97 54.87 3ik9 s LYS 152 Cb -0.38 0.54 -0.11 0.00 -2.06 0.00 0.00 37.83 35.82 3ik9 s LYS 152 CO 0.83 -0.52 1.84 -0.11 0.10 0.00 0.00 175.35 177.49 3ik9 n LEU 153 N -0.35 3.97 -4.41 2.77 7.94 -1.26 -4.53 117.00 121.12 3ik9 n LEU 153 Ca -0.14 0.98 -0.20 0.00 -1.11 0.00 0.00 56.01 55.54 3ik9 n LEU 153 Cb 0.64 -1.53 -0.10 0.00 0.53 0.00 0.00 43.42 42.96 3ik9 n LEU 153 CO 0.12 0.14 -0.28 -0.94 -1.11 0.00 0.00 177.39 175.32 3ik9 s SER 154 N 2.84 2.13 0.49 1.96 1.04 -1.26 -4.82 113.70 116.09 3ik9 s SER 154 Ca 0.83 -1.35 0.31 0.00 0.48 0.00 0.00 55.95 56.23 3ik9 s SER 154 Cb -0.50 -0.04 1.42 0.00 0.10 0.00 0.00 66.02 67.00 3ik9 s SER 154 CO 0.39 -0.60 1.76 0.08 0.98 0.00 0.00 173.24 175.85 3ik9 h ARG 155 N 2.21 0.12 -0.66 4.02 0.11 -1.54 -0.72 114.38 117.93 3ik9 h ARG 155 Ca -0.40 -0.01 0.12 0.00 0.10 0.00 0.00 59.98 59.79 3ik9 h ARG 155 Cb 1.24 -0.03 -0.09 0.00 1.11 0.00 0.00 29.97 32.21 3ik9 h ARG 155 CO 0.67 0.08 0.20 0.00 0.10 0.00 0.00 179.97 181.02 3ik9 h ALA 156 N 1.47 0.84 -0.19 0.08 0.00 -1.91 0.26 119.26 119.81 3ik9 h ALA 156 Ca 0.62 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.50 3ik9 h ALA 156 Cb 2.16 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.09 3ik9 h ALA 156 CO -0.14 -0.26 -0.46 -0.44 0.00 0.00 0.00 179.25 177.95 3ik9 h ASP 157 N 0.34 0.73 0.04 0.00 3.32 -1.53 -0.09 116.42 119.23 3ik9 h ASP 157 Ca 0.35 -0.57 0.01 0.00 0.02 0.00 0.00 57.03 56.84 3ik9 h ASP 157 Cb 0.51 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3ik9 h ASP 157 CO -0.39 1.17 -0.11 0.40 -1.72 0.00 0.00 179.24 178.59 3ik9 h ILE 158 N 0.33 0.74 -0.30 0.35 1.08 -1.27 -1.33 117.51 117.11 3ik9 h ILE 158 Ca -0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.34 3ik9 h ILE 158 Cb 1.07 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 3ik9 h ILE 158 CO 0.10 0.00 -0.32 0.45 -0.69 0.00 0.00 178.15 177.69 3ik9 h HIS 159 N -0.20 0.76 -0.49 1.37 3.86 -0.39 -2.54 115.15 117.53 3ik9 h HIS 159 Ca 0.03 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 3ik9 h HIS 159 Cb 0.23 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 3ik9 h HIS 159 CO -0.15 0.89 0.23 1.25 0.86 0.00 0.00 177.93 181.02 3ik9 h LEU 160 N 0.55 0.64 -0.11 2.43 5.85 -0.91 -2.88 115.31 120.88 3ik9 h LEU 160 Ca 0.06 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 3ik9 h LEU 160 Cb 0.82 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3ik9 h LEU 160 CO 0.07 0.59 -0.29 0.58 -0.34 0.00 0.00 178.44 179.05 3ik9 h VAL 161 N 0.64 1.39 -0.97 1.05 2.07 -1.04 -1.63 116.25 117.75 3ik9 h VAL 161 Ca 0.17 -1.60 0.24 0.00 0.82 0.00 0.00 66.70 66.33 3ik9 h VAL 161 Cb 0.12 2.13 -0.18 0.00 -1.52 0.00 0.00 31.29 31.84 3ik9 h VAL 161 CO -0.02 0.47 -0.06 -0.08 0.02 0.00 0.00 177.57 177.89 3ik9 h GLU 162 N -0.04 0.01 -0.04 1.57 4.81 -1.54 0.38 114.58 119.73 3ik9 h GLU 162 Ca -0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3ik9 h GLU 162 Cb 0.90 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3ik9 h GLU 162 CO 0.06 0.01 -0.42 1.25 -0.73 0.00 0.00 179.01 179.18 3ik9 h LEU 163 N 0.01 0.09 -0.67 1.64 5.85 -1.20 -2.49 115.31 118.54 3ik9 h LEU 163 Ca 0.54 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 59.13 3ik9 h LEU 163 Cb 1.03 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3ik9 h LEU 163 CO -0.94 0.50 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.56 3ik9 h LEU 164 N 0.08 0.98 -0.39 2.25 3.38 0.66 -0.68 115.31 121.58 3ik9 h LEU 164 Ca 0.00 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3ik9 h LEU 164 Cb 0.77 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3ik9 h LEU 164 CO 0.06 1.05 0.25 1.88 0.09 0.00 0.00 178.44 181.78 3ik9 h TYR 165 N 0.90 0.48 -0.34 1.13 0.05 -0.95 0.18 116.97 118.43 3ik9 h TYR 165 Ca 0.16 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 3ik9 h TYR 165 Cb 0.58 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3ik9 h TYR 165 CO 0.04 0.30 0.03 1.88 -1.05 0.00 0.00 178.16 179.36 3ik9 h TYR 166 N 0.52 0.52 -0.10 4.88 0.05 -1.06 -0.10 116.97 121.68 3ik9 h TYR 166 Ca 0.15 -0.04 -0.15 0.00 0.05 0.00 0.00 58.73 58.74 3ik9 h TYR 166 Cb -0.05 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3ik9 h TYR 166 CO -0.05 0.49 -0.58 0.28 -1.05 0.00 0.00 178.16 177.24 3ik9 h VAL 167 N 0.49 1.37 0.29 -2.88 2.07 -0.78 -2.25 116.25 114.56 3ik9 h VAL 167 Ca 0.11 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 3ik9 h VAL 167 Cb 0.27 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3ik9 h VAL 167 CO 0.00 0.57 -0.23 -0.08 0.02 0.00 0.00 177.57 177.85 3ik9 h GLU 168 N 0.23 -0.49 -1.00 1.57 4.81 0.10 0.98 114.58 120.78 3ik9 h GLU 168 Ca -0.00 0.03 0.37 0.00 -0.13 0.00 0.00 59.36 59.64 3ik9 h GLU 168 Cb 1.08 0.11 -0.18 0.00 0.63 0.00 0.00 28.75 30.40 3ik9 h GLU 168 CO 0.09 -0.33 0.40 0.93 -0.73 0.00 0.00 179.01 179.38 3ik9 h GLU 169 N -0.51 0.02 -0.01 1.92 5.08 -1.10 0.49 114.58 120.47 3ik9 h GLU 169 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ik9 h GLU 169 Cb 0.43 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3ik9 h GLU 169 CO 0.00 0.01 -0.03 1.25 -1.00 0.00 0.00 179.01 179.24 3ik9 h LEU 170 N 0.02 0.05 -5.93 1.33 6.46 -1.19 -3.45 115.31 112.59 3ik9 h LEU 170 Ca 0.78 -0.62 0.12 0.00 -0.12 0.00 0.00 57.88 58.04 3ik9 h LEU 170 Cb 1.95 -0.01 -0.19 0.00 -0.73 0.00 0.00 40.66 41.67 3ik9 h LEU 170 CO -0.81 0.66 -0.19 -0.62 -0.62 0.00 0.00 178.44 176.87 3ik9 s ASP 171 N -5.89 -0.93 0.00 1.25 -1.08 0.32 -5.05 116.67 105.29 3ik9 s ASP 171 Ca -0.16 0.02 0.10 0.00 -0.52 0.00 0.00 52.55 51.98 3ik9 s ASP 171 Cb 0.01 1.52 0.55 0.00 -1.46 0.00 0.00 42.92 43.53 3ik9 s ASP 171 CO 0.69 -0.16 1.08 -1.54 0.52 0.00 0.00 175.17 175.76 3ik9 n SER 172 N 5.04 0.00 -0.83 -0.34 3.41 -0.89 -2.40 113.62 117.61 3ik9 n SER 172 Ca 0.08 -0.16 0.10 0.00 -0.26 0.00 0.00 58.87 58.63 3ik9 n SER 172 Cb 0.57 -0.09 0.09 0.00 -0.26 0.00 0.00 64.21 64.52 3ik9 n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ik9 n SER 173 N -1.09 2.74 -0.03 4.04 3.41 -1.26 -4.46 113.62 116.98 3ik9 n SER 173 Ca 0.06 -1.86 -0.16 0.00 -0.26 0.00 0.00 58.87 56.66 3ik9 n SER 173 Cb 0.05 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 63.89 3ik9 n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ik9 h LEU 174 N 4.01 0.57 -1.05 1.04 3.38 -1.81 -2.78 115.31 118.67 3ik9 h LEU 174 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3ik9 h LEU 174 Cb 0.86 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ik9 h LEU 174 CO 0.00 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.66 3ik9 n ILE 175 N -4.27 0.97 0.26 1.22 3.06 -1.26 -3.91 119.36 115.43 3ik9 n ILE 175 Ca -0.08 0.50 0.10 0.00 -2.50 0.00 0.00 62.75 60.76 3ik9 n ILE 175 Cb 0.58 -1.47 0.69 0.00 0.54 0.00 0.00 39.64 39.99 3ik9 n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3ik9 h SER 176 N 0.00 0.00 -0.30 9.51 4.64 -1.71 0.16 113.55 125.85 3ik9 h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ik9 h SER 176 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3ik9 h SER 176 CO 0.00 0.04 0.00 -0.24 -0.87 0.00 0.00 176.83 175.76 3ik9 n SER 177 N -4.27 1.90 -3.24 4.97 2.88 -1.25 -4.54 113.62 110.07 3ik9 n SER 177 Ca -0.03 -1.89 -0.24 0.00 -1.33 0.00 0.00 58.87 55.38 3ik9 n SER 177 Cb 0.12 -0.20 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 3ik9 n SER 177 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3ik9 n PHE 178 N 0.51 1.31 -0.35 0.66 3.72 0.57 -4.96 117.46 118.92 3ik9 n PHE 178 Ca 0.14 -3.81 0.07 0.00 -0.05 0.00 0.00 57.45 53.80 3ik9 n PHE 178 Cb 0.33 -0.44 0.24 0.00 -0.94 0.00 0.00 39.48 38.67 3ik9 n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ik9 h PRO 179 N 3.85 0.90 -0.42 -1.08 0.13 -1.80 -0.76 132.00 132.81 3ik9 h PRO 179 Ca 0.12 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 3ik9 h PRO 179 Cb 0.79 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 3ik9 h PRO 179 CO 0.61 0.59 0.20 -0.07 -0.23 0.00 0.00 178.00 179.10 3ik9 h LEU 180 N 0.92 0.52 -0.39 1.56 3.38 -1.94 0.38 115.31 119.75 3ik9 h LEU 180 Ca 0.49 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.23 3ik9 h LEU 180 Cb 0.52 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3ik9 h LEU 180 CO -0.28 0.45 -0.65 -0.07 0.09 0.00 0.00 178.44 177.98 3ik9 h LEU 181 N 0.59 0.67 -0.18 1.67 3.38 -1.59 -1.38 115.31 118.47 3ik9 h LEU 181 Ca 0.15 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3ik9 h LEU 181 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ik9 h LEU 181 CO -0.02 1.15 0.11 0.11 0.09 0.00 0.00 178.44 179.87 3ik9 h LYS 182 N 0.42 0.22 -0.52 1.13 1.57 0.26 -1.11 116.57 118.53 3ik9 h LYS 182 Ca -0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ik9 h LYS 182 Cb 1.23 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 3ik9 h LYS 182 CO 0.12 0.14 0.31 0.00 -0.57 0.00 0.00 179.45 179.45 3ik9 h ALA 183 N 1.08 0.67 -0.84 3.86 0.00 -0.31 -2.41 119.26 121.30 3ik9 h ALA 183 Ca 0.07 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ik9 h ALA 183 Cb -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3ik9 h ALA 183 CO -0.03 0.16 0.53 1.25 0.00 0.00 0.00 179.25 181.17 3ik9 h LEU 184 N 0.70 0.88 -0.05 0.00 5.85 -1.09 -0.57 115.31 121.03 3ik9 h LEU 184 Ca 0.19 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3ik9 h LEU 184 Cb 0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3ik9 h LEU 184 CO -0.03 0.60 -0.13 0.50 -0.34 0.00 0.00 178.44 179.03 3ik9 h LYS 185 N 1.03 -0.19 0.07 1.25 3.64 -0.74 -1.23 116.57 120.39 3ik9 h LYS 185 Ca 0.34 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.74 3ik9 h LYS 185 Cb 0.04 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3ik9 h LYS 185 CO -0.13 -0.13 -0.11 1.15 -2.27 0.00 0.00 179.45 177.97 3ik9 h THR 186 N -0.20 0.74 -0.54 1.00 2.02 -1.20 -0.67 112.91 114.06 3ik9 h THR 186 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.26 3ik9 h THR 186 Cb 0.29 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3ik9 h THR 186 CO -0.17 0.00 0.35 0.03 0.37 0.00 0.00 175.52 176.10 3ik9 h ARG 187 N -0.22 0.68 -0.10 6.66 3.08 -0.89 -0.68 114.38 122.92 3ik9 h ARG 187 Ca 0.02 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 3ik9 h ARG 187 Cb 0.23 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3ik9 h ARG 187 CO -0.06 0.45 -0.78 0.82 -1.07 0.00 0.00 179.97 179.33 3ik9 h ILE 188 N 0.71 1.34 -0.43 2.04 1.08 -1.25 -3.00 117.51 117.99 3ik9 h ILE 188 Ca 0.21 -2.11 0.03 0.00 -0.39 0.00 0.00 64.86 62.60 3ik9 h ILE 188 Cb -0.05 2.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.78 3ik9 h ILE 188 CO -0.06 0.65 0.29 0.28 -0.69 0.00 0.00 178.15 178.61 3ik9 h SER 189 N 0.38 0.40 0.89 1.72 0.02 -0.70 -2.38 113.55 113.88 3ik9 h SER 189 Ca -0.05 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3ik9 h SER 189 Cb 1.39 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3ik9 h SER 189 CO 0.15 0.28 0.00 0.59 -1.14 0.00 0.00 176.83 176.71 3ik9 n ASN 190 N -4.48 0.00 -4.76 3.07 3.02 -0.30 -1.25 115.26 110.57 3ik9 n ASN 190 Ca 0.04 0.47 -0.41 0.00 -0.03 0.00 0.00 54.58 54.65 3ik9 n ASN 190 Cb 0.15 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 3ik9 n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ik9 s LEU 191 N -2.98 4.40 0.15 3.41 1.43 -0.90 -4.72 118.68 119.48 3ik9 s LEU 191 Ca 0.13 2.67 -0.30 0.00 -1.03 0.00 0.00 54.13 55.61 3ik9 s LEU 191 Cb 0.17 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3ik9 s LEU 191 CO 0.48 -0.63 1.55 -0.65 0.23 0.00 0.00 176.35 177.33 3ik9 h PRO 192 N 4.32 -0.20 -0.64 1.29 0.11 -1.89 0.20 132.00 135.18 3ik9 h PRO 192 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 3ik9 h PRO 192 Cb 1.22 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 3ik9 h PRO 192 CO 0.72 -0.13 0.37 1.79 -0.21 0.00 0.00 178.00 180.54 3ik9 h THR 193 N -0.21 1.02 0.15 -1.15 1.35 -1.88 -1.04 112.91 111.16 3ik9 h THR 193 Ca 0.14 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.75 3ik9 h THR 193 Cb 0.53 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 3ik9 h THR 193 CO -0.76 0.13 -0.07 0.58 -0.25 0.00 0.00 175.52 175.15 3ik9 h VAL 194 N 0.71 1.00 -0.90 6.82 2.07 -1.58 -0.97 116.25 123.41 3ik9 h VAL 194 Ca 0.27 -0.86 0.25 0.00 0.82 0.00 0.00 66.70 67.18 3ik9 h VAL 194 Cb 0.10 1.51 -0.15 0.00 -1.52 0.00 0.00 31.29 31.23 3ik9 h VAL 194 CO -0.14 0.20 0.18 0.50 0.02 0.00 0.00 177.57 178.32 3ik9 h LYS 195 N -0.63 0.13 0.58 1.57 3.64 0.77 0.34 116.57 122.97 3ik9 h LYS 195 Ca -0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3ik9 h LYS 195 Cb 0.47 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3ik9 h LYS 195 CO 0.03 0.09 -0.30 -0.22 -2.27 0.00 0.00 179.45 176.78 3ik9 h LYS 196 N 0.14 -0.78 0.00 1.90 3.64 -1.02 -2.74 116.57 117.71 3ik9 h LYS 196 Ca 0.57 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.99 3ik9 h LYS 196 Cb 1.17 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3ik9 h LYS 196 CO -0.73 -0.52 -0.06 0.35 -2.27 0.00 0.00 179.45 176.22 3ik9 h PHE 197 N -0.81 0.00 0.00 1.91 3.57 0.48 -0.62 116.94 121.47 3ik9 h PHE 197 Ca -0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3ik9 h PHE 197 Cb 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3ik9 h PHE 197 CO -0.06 0.06 0.00 -0.07 -2.23 0.00 0.00 178.31 176.02 3ik9 h LEU 198 N 0.00 0.00-10.25 0.59 3.38 -0.26 -3.41 115.31 105.36 3ik9 h LEU 198 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3ik9 h LEU 198 Cb 0.13 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.91 3ik9 h LEU 198 CO 0.01 0.00 0.37 -1.10 0.09 0.00 0.00 178.44 177.80 3ik9 s GLN 199 N -3.46 3.81 0.73 1.13 -0.21 -0.24 -5.02 119.66 116.40 3ik9 s GLN 199 Ca 0.04 0.84 -0.16 0.00 0.02 0.00 0.00 55.36 56.10 3ik9 s GLN 199 Cb 0.08 -2.14 0.02 0.00 1.00 0.00 0.00 33.01 31.96 3ik9 s GLN 199 CO 0.59 -0.35 1.05 -0.35 -2.12 0.00 0.00 175.29 174.11 3ik9 n PRO 200 N -1.96 0.52 0.00 2.91 -0.04 -1.26 -3.12 135.00 132.04 3ik9 n PRO 200 Ca 0.06 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3ik9 n PRO 200 Cb 0.54 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3ik9 n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ik9 n GLY 201 N 0.97 3.11 3.63 0.55 0.00 -1.26 -5.06 105.19 107.13 3ik9 n GLY 201 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3ik9 n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ik9 s SER 202 N -0.44 2.21 0.00 1.61 1.04 -1.18 -4.90 113.70 112.04 3ik9 s SER 202 Ca 0.00 1.25 0.13 0.00 0.48 0.00 0.00 55.95 57.82 3ik9 s SER 202 Cb 0.00 -1.95 0.71 0.00 0.10 0.00 0.00 66.02 64.89 3ik9 s SER 202 CO 0.00 -3.40 1.31 -2.65 0.98 0.00 0.00 173.24 169.48 3ik9 n PRO 203 N -4.36 0.27 -1.58 4.02 -0.02 -1.26 -4.81 135.00 127.26 3ik9 n PRO 203 Ca 0.05 0.11 -0.48 0.00 -2.02 0.00 0.00 63.50 61.15 3ik9 n PRO 203 Cb 0.57 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 3ik9 n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3ik9 n ARG 204 N -1.19 1.22 -4.07 -0.52 0.63 -1.26 -4.94 116.66 106.52 3ik9 n ARG 204 Ca 0.08 0.43 -0.34 0.00 -0.92 0.00 0.00 57.85 57.10 3ik9 n ARG 204 Cb 0.09 -1.92 -0.07 0.00 0.45 0.00 0.00 32.46 31.01 3ik9 n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3ik9 s LYS 205 N -0.51 3.15 0.74 -0.14 -0.14 -1.26 -5.02 119.74 116.56 3ik9 s LYS 205 Ca 0.71 -0.42 -0.11 0.00 -1.36 0.00 0.00 55.97 54.79 3ik9 s LYS 205 Cb -0.83 -2.92 0.04 0.00 -1.68 0.00 0.00 37.83 32.44 3ik9 s LYS 205 CO 0.53 0.67 1.07 -1.25 -0.76 0.00 0.00 175.35 175.61 3ik9 s PRO 206 N -1.64 2.55 0.80 -1.68 0.04 -1.26 -4.83 135.00 128.98 3ik9 s PRO 206 Ca 0.22 0.92 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 3ik9 s PRO 206 Cb -0.12 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3ik9 s PRO 206 CO 0.13 -1.37 0.32 -2.30 0.04 0.00 0.00 177.00 173.83 3ik9 n PRO 207 N -3.30 0.09 -2.04 0.56 -0.02 -1.26 -4.47 135.00 124.56 3ik9 n PRO 207 Ca 0.08 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.20 3ik9 n PRO 207 Cb 0.54 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 3ik9 n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ik9 s PRO 208 N -2.83 4.17 0.28 0.52 0.04 -1.26 -4.99 135.00 130.93 3ik9 s PRO 208 Ca 0.60 2.13 0.06 0.00 0.04 0.00 0.00 61.00 63.84 3ik9 s PRO 208 Cb -0.30 -3.97 -0.02 0.00 0.04 0.00 0.00 34.50 30.24 3ik9 s PRO 208 CO 0.64 -0.86 0.38 0.16 0.04 0.00 0.00 177.00 177.36 3ik9 s ASP 209 N 3.31 6.02 0.55 6.66 -4.77 -1.26 -4.94 116.67 122.24 3ik9 s ASP 209 Ca 0.72 -0.11 0.24 0.00 -3.30 0.00 0.00 52.55 50.10 3ik9 s ASP 209 Cb -0.32 -1.50 1.49 0.00 -1.09 0.00 0.00 42.92 41.50 3ik9 s ASP 209 CO 0.29 -0.23 2.12 -0.33 0.70 0.00 0.00 175.17 177.71 3ik9 h GLU 210 N 1.11 0.00 -0.75 2.11 4.39 -1.99 0.42 114.58 119.86 3ik9 h GLU 210 Ca -0.49 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.24 3ik9 h GLU 210 Cb 1.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 3ik9 h GLU 210 CO 0.58 0.00 0.49 0.82 -1.16 0.00 0.00 179.01 179.73 3ik9 h ILE 211 N 0.00 1.14 0.16 3.13 2.04 -1.99 -2.10 117.51 119.88 3ik9 h ILE 211 Ca 0.08 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3ik9 h ILE 211 Cb 0.37 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3ik9 h ILE 211 CO -0.00 0.18 -0.08 0.22 0.00 0.00 0.00 178.15 178.47 3ik9 h TYR 212 N 0.96 -0.19 0.13 1.37 5.03 -0.58 -0.80 116.97 122.89 3ik9 h TYR 212 Ca 0.29 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.62 3ik9 h TYR 212 Cb -0.03 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.28 3ik9 h TYR 212 CO -0.03 0.11 -0.29 0.28 -1.32 0.00 0.00 178.16 176.91 3ik9 h VAL 213 N -0.50 0.38 -0.38 1.81 2.07 -1.30 0.60 116.25 118.92 3ik9 h VAL 213 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3ik9 h VAL 213 Cb 0.39 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3ik9 h VAL 213 CO 0.04 0.00 -0.01 -0.09 0.02 0.00 0.00 177.57 177.52 3ik9 h ARG 214 N -0.51 0.61 -0.69 1.57 2.43 -1.46 0.20 114.38 116.54 3ik9 h ARG 214 Ca 0.03 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3ik9 h ARG 214 Cb 0.53 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3ik9 h ARG 214 CO -0.16 0.65 0.45 1.15 -1.51 0.00 0.00 179.97 180.55 3ik9 h THR 215 N 0.58 1.16 -0.39 0.20 2.02 -0.41 1.27 112.91 117.34 3ik9 h THR 215 Ca 0.12 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 3ik9 h THR 215 Cb 0.39 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3ik9 h THR 215 CO 0.02 0.17 -0.28 0.58 0.37 0.00 0.00 175.52 176.37 3ik9 h VAL 216 N 0.92 1.27 -0.66 3.16 2.07 -0.14 -2.39 116.25 120.48 3ik9 h VAL 216 Ca 0.26 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3ik9 h VAL 216 Cb -0.08 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3ik9 h VAL 216 CO -0.06 0.48 0.34 1.88 0.02 0.00 0.00 177.57 180.22 3ik9 h TYR 217 N 0.71 0.92 0.00 1.57 0.05 -0.15 -2.69 116.97 117.37 3ik9 h TYR 217 Ca 0.08 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3ik9 h TYR 217 Cb 0.83 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.28 3ik9 h TYR 217 CO 0.05 0.67 0.00 0.09 -1.05 0.00 0.00 178.16 177.92 3ik9 n ASN 218 N -4.51 0.19 0.00 3.88 4.13 0.43 -2.11 115.26 117.28 3ik9 n ASN 218 Ca 0.05 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.65 3ik9 n ASN 218 Cb 0.11 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 3ik9 n ASN 218 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3ik9 n ILE 219 N -0.01 0.00 0.44 2.41 5.41 -1.07 -4.10 119.36 122.44 3ik9 n ILE 219 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 3ik9 n ILE 219 Cb 0.05 -1.06 0.04 0.00 -0.71 0.00 0.00 39.64 37.96 3ik9 n ILE 219 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04