#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikf n ASP 2 N 0.00 5.63 -4.82 3.17 2.03 -1.26 -5.02 116.55 116.27 3ikf n ASP 2 Ca 0.00 -3.14 -0.35 0.00 0.52 0.00 0.00 54.79 51.81 3ikf n ASP 2 Cb 0.00 -1.32 -0.06 0.00 -0.72 0.00 0.00 41.12 39.02 3ikf n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ikf s PHE 3 N -1.69 3.58 0.02 -0.67 0.08 -1.26 -0.52 117.98 117.52 3ikf s PHE 3 Ca 0.31 1.39 0.02 0.00 0.12 0.00 0.00 56.93 58.77 3ikf s PHE 3 Cb -0.06 -2.63 -0.02 0.00 -0.57 0.00 0.00 43.02 39.74 3ikf s PHE 3 CO -0.04 0.25 -0.07 1.03 -0.10 0.00 0.00 175.22 176.30 3ikf s ARG 4 N -2.26 0.50 0.09 0.44 1.81 -0.29 -4.97 118.95 114.27 3ikf s ARG 4 Ca 0.47 -0.53 0.06 0.00 -1.72 0.00 0.00 55.73 54.01 3ikf s ARG 4 Cb -0.15 -0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 33.95 3ikf s ARG 4 CO 0.20 0.08 -0.07 0.96 -0.68 0.00 0.00 175.30 175.79 3ikf s ILE 5 N -0.85 3.55 0.13 1.52 -4.36 -1.26 -1.25 121.20 118.68 3ikf s ILE 5 Ca -0.05 -1.14 0.02 0.00 -0.26 0.00 0.00 60.65 59.22 3ikf s ILE 5 Cb -0.07 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 3ikf s ILE 5 CO 0.00 0.15 -0.05 -0.83 0.24 0.00 0.00 174.94 174.45 3ikf s GLY 6 N -2.13 0.94 0.03 6.27 0.00 -0.24 -3.97 107.32 108.22 3ikf s GLY 6 Ca 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3ikf s GLY 6 CO 0.14 -1.49 -0.04 -0.86 0.00 0.00 0.00 173.10 170.85 3ikf s GLN 7 N -3.85 0.36 0.03 2.90 1.03 -1.26 -0.77 119.66 118.11 3ikf s GLN 7 Ca 0.16 -0.66 -0.00 0.00 0.04 0.00 0.00 55.36 54.90 3ikf s GLN 7 Cb 0.05 0.04 -0.02 0.00 0.03 0.00 0.00 33.01 33.11 3ikf s GLN 7 CO -0.01 -0.03 -0.03 0.20 -2.54 0.00 0.00 175.29 172.87 3ikf s GLY 8 N -1.54 0.31 -0.05 2.60 0.00 0.24 -3.80 107.32 105.08 3ikf s GLY 8 Ca -0.14 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 3ikf s GLY 8 CO -0.01 -0.81 0.21 -0.47 0.00 0.00 0.00 173.10 172.01 3ikf s TYR 9 N -1.97 -0.16 -0.06 1.90 6.14 -1.26 -1.10 117.35 120.83 3ikf s TYR 9 Ca -0.11 0.37 -0.30 0.00 0.64 0.00 0.00 57.07 57.67 3ikf s TYR 9 Cb -0.06 0.05 0.07 0.00 0.42 0.00 0.00 41.96 42.44 3ikf s TYR 9 CO -0.03 -0.19 0.68 0.34 0.64 0.00 0.00 175.55 176.99 3ikf s ASP 10 N -0.41 -0.66 -0.02 4.32 2.15 -0.85 -4.60 116.67 116.60 3ikf s ASP 10 Ca -0.05 0.75 -0.05 0.00 0.43 0.00 0.00 52.55 53.63 3ikf s ASP 10 Cb -0.03 0.59 0.00 0.00 -0.30 0.00 0.00 42.92 43.18 3ikf s ASP 10 CO 0.01 -0.59 0.11 0.54 -0.17 0.00 0.00 175.17 175.07 3ikf s VAL 11 N -1.10 0.04 0.03 1.11 0.11 -1.26 -0.65 120.40 118.68 3ikf s VAL 11 Ca -0.10 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 3ikf s VAL 11 Cb -0.00 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3ikf s VAL 11 CO 0.09 -0.18 -0.04 -1.00 -3.33 0.00 0.00 175.10 170.64 3ikf s HIS 12 N -0.59 0.41 0.44 1.54 3.76 -0.85 -5.00 115.29 115.00 3ikf s HIS 12 Ca -0.07 -0.56 -0.24 0.00 -0.15 0.00 0.00 55.06 54.04 3ikf s HIS 12 Cb -0.04 -0.27 -0.08 0.00 1.11 0.00 0.00 32.58 33.30 3ikf s HIS 12 CO 0.00 -0.17 1.17 -0.65 -0.85 0.00 0.00 174.74 174.25 3ikf s GLN 13 N -1.70 3.84 -0.30 1.40 -0.21 -1.26 -1.56 119.66 119.85 3ikf s GLN 13 Ca -0.12 1.80 -0.01 0.00 0.02 0.00 0.00 55.36 57.05 3ikf s GLN 13 Cb -0.09 -2.48 0.06 0.00 1.00 0.00 0.00 33.01 31.50 3ikf s GLN 13 CO -0.01 -0.49 0.00 -1.17 -2.12 0.00 0.00 175.29 171.49 3ikf s LEU 14 N -2.88 3.98 0.04 2.90 2.96 0.55 -2.57 118.68 123.66 3ikf s LEU 14 Ca 0.62 -1.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.12 3ikf s LEU 14 Cb -0.29 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 3ikf s LEU 14 CO 0.36 -0.28 -0.02 0.68 -1.32 0.00 0.00 176.35 175.77 3ikf s VAL 15 N 1.20 0.18 0.54 1.68 -7.23 -0.54 -4.54 120.40 111.68 3ikf s VAL 15 Ca -0.04 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.44 3ikf s VAL 15 Cb -0.20 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 3ikf s VAL 15 CO -0.02 -0.81 1.37 -2.65 -0.31 0.00 0.00 175.10 172.68 3ikf n PRO 16 N 0.63 1.74 0.00 4.82 -0.02 -1.26 -1.24 135.00 139.67 3ikf n PRO 16 Ca -0.18 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3ikf n PRO 16 Cb 0.59 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3ikf n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikf n GLY 17 N 0.74 0.89 3.10 -1.23 0.00 -1.26 -4.85 105.19 102.58 3ikf n GLY 17 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3ikf n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ikf s ARG 18 N -0.24 0.65 0.59 1.61 1.81 -1.26 -5.02 118.95 117.09 3ikf s ARG 18 Ca 0.00 -1.06 -0.16 0.00 -1.72 0.00 0.00 55.73 52.79 3ikf s ARG 18 Cb 0.00 -0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 3ikf s ARG 18 CO 0.00 -0.02 1.05 -1.25 -0.68 0.00 0.00 175.30 174.40 3ikf s PRO 19 N -2.90 3.39 -0.49 3.54 0.04 -1.26 -2.97 135.00 134.35 3ikf s PRO 19 Ca 0.01 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 3ikf s PRO 19 Cb -0.01 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.56 3ikf s PRO 19 CO -0.04 -0.75 0.48 -1.17 0.04 0.00 0.00 177.00 175.57 3ikf s LEU 20 N -4.49 5.38 -0.21 -3.56 2.96 -1.25 -3.12 118.68 114.39 3ikf s LEU 20 Ca 0.63 -1.17 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3ikf s LEU 20 Cb -0.15 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.28 3ikf s LEU 20 CO 0.37 -0.74 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.89 3ikf s ILE 21 N 2.01 2.49 -0.06 6.68 1.01 -1.26 0.52 121.20 132.60 3ikf s ILE 21 Ca 0.08 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 3ikf s ILE 21 Cb -0.22 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.13 3ikf s ILE 21 CO 0.09 0.42 -0.01 -0.63 0.00 0.00 0.00 174.94 174.80 3ikf s ILE 22 N 1.32 0.37 -1.40 2.92 1.01 -0.78 -4.26 121.20 120.38 3ikf s ILE 22 Ca 0.03 0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 3ikf s ILE 22 Cb -0.14 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.86 3ikf s ILE 22 CO -0.09 0.23 1.11 0.61 0.00 0.00 0.00 174.94 176.80 3ikf n GLY 23 N 4.69 -0.54 2.79 6.18 0.00 -1.26 -2.18 105.19 114.87 3ikf n GLY 23 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ikf n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikf n GLY 24 N -1.93 0.79 3.29 -0.02 0.00 -1.26 -4.36 105.19 101.71 3ikf n GLY 24 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ikf n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ikf s VAL 25 N -3.24 3.14 -0.10 1.61 1.01 -0.93 -5.07 120.40 116.84 3ikf s VAL 25 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 3ikf s VAL 25 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3ikf s VAL 25 CO 0.00 0.46 0.96 -0.89 0.00 0.00 0.00 175.10 175.63 3ikf s THR 26 N 1.27 4.82 -0.18 3.92 2.01 -1.26 -1.87 115.64 124.36 3ikf s THR 26 Ca 0.03 1.96 0.00 0.00 0.31 0.00 0.00 61.69 63.99 3ikf s THR 26 Cb -0.14 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.10 3ikf s THR 26 CO -0.03 0.04 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.14 3ikf s ILE 27 N 1.82 2.40 0.08 1.82 1.01 0.19 -5.00 121.20 123.53 3ikf s ILE 27 Ca 0.47 -0.84 -0.31 0.00 0.00 0.00 0.00 60.65 59.97 3ikf s ILE 27 Cb -0.18 -2.02 -0.10 0.00 0.01 0.00 0.00 42.46 40.16 3ikf s ILE 27 CO 0.19 0.52 1.89 -0.81 0.00 0.00 0.00 174.94 176.72 3ikf n PRO 28 N 4.47 2.78 -3.47 2.79 -0.04 -1.26 -4.11 135.00 136.16 3ikf n PRO 28 Ca -0.20 1.02 -0.14 0.00 -0.04 0.00 0.00 63.50 64.13 3ikf n PRO 28 Cb 0.51 -2.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.00 3ikf n PRO 28 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3ikf s TYR 29 N 3.40 -0.58 -1.81 0.54 5.04 -1.26 -4.98 117.35 117.70 3ikf s TYR 29 Ca 0.85 0.67 0.15 0.00 -2.44 0.00 0.00 57.07 56.30 3ikf s TYR 29 Cb -0.48 0.49 0.82 0.00 0.35 0.00 0.00 41.96 43.15 3ikf s TYR 29 CO 0.40 -0.72 1.33 -0.85 -1.34 0.00 0.00 175.55 174.36 3ikf n GLU 30 N 0.20 0.37 -4.27 4.97 0.28 -1.26 -4.80 120.64 116.12 3ikf n GLU 30 Ca -0.17 0.05 -0.18 0.00 -0.16 0.00 0.00 57.16 56.70 3ikf n GLU 30 Cb 0.61 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.90 3ikf n GLU 30 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3ikf s ARG 31 N -2.19 1.61 0.30 3.44 0.52 -1.26 -4.21 118.95 117.16 3ikf s ARG 31 Ca 0.19 -1.92 -0.20 0.00 -0.52 0.00 0.00 55.73 53.28 3ikf s ARG 31 Cb 0.10 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.85 3ikf s ARG 31 CO 0.19 -0.56 0.74 0.20 0.02 0.00 0.00 175.30 175.88 3ikf s GLY 32 N -3.33 0.01 -0.11 -3.53 0.00 -0.37 -3.94 107.32 96.05 3ikf s GLY 32 Ca 0.39 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.63 3ikf s GLY 32 CO 0.23 -0.14 0.18 1.08 0.00 0.00 0.00 173.10 174.45 3ikf s LEU 33 N -2.95 4.39 -1.24 0.66 1.43 -1.18 -1.47 118.68 118.31 3ikf s LEU 33 Ca 0.12 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 3ikf s LEU 33 Cb -0.06 -2.14 0.18 0.00 0.03 0.00 0.00 46.19 44.20 3ikf s LEU 33 CO 0.08 0.38 1.64 0.18 0.23 0.00 0.00 176.35 178.86 3ikf n LEU 34 N 2.06 5.94 0.17 1.79 4.77 -1.06 -4.71 117.00 125.97 3ikf n LEU 34 Ca -0.19 -4.59 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 3ikf n LEU 34 Cb 0.54 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 3ikf n LEU 34 CO 0.32 1.08 0.60 -0.90 -1.33 0.00 0.00 177.39 177.16 3ikf n ASP 38 N 4.60 0.00 -2.85 -1.43 5.68 -1.26 -4.64 116.55 116.64 3ikf n ASP 38 Ca 0.38 0.27 -0.20 0.00 -0.50 0.00 0.00 54.79 54.73 3ikf n ASP 38 Cb 0.39 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.42 3ikf n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ikf n ALA 39 N -1.06 -0.96 -2.41 2.12 0.00 -1.26 -4.68 120.51 112.26 3ikf n ALA 39 Ca 0.00 0.29 -0.37 0.00 0.00 0.00 0.00 53.44 53.36 3ikf n ALA 39 Cb 0.60 -4.04 -0.03 0.00 0.00 0.00 0.00 19.45 15.98 3ikf n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ikf s ASP 40 N -2.98 6.15 0.26 0.00 -1.08 -1.26 -4.85 116.67 112.90 3ikf s ASP 40 Ca 0.37 -1.51 -0.05 0.00 -0.52 0.00 0.00 52.55 50.84 3ikf s ASP 40 Cb -0.16 -2.57 0.49 0.00 -1.46 0.00 0.00 42.92 39.22 3ikf s ASP 40 CO 0.46 -1.85 1.62 -0.37 0.52 0.00 0.00 175.17 175.55 3ikf h VAL 41 N 6.59 0.28 -0.34 1.11 -1.51 -1.92 -2.07 116.25 118.40 3ikf h VAL 41 Ca 0.23 -0.03 -0.05 0.00 -1.23 0.00 0.00 66.70 65.62 3ikf h VAL 41 Cb 0.97 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 3ikf h VAL 41 CO 1.37 0.02 0.01 0.25 -1.23 0.00 0.00 177.57 177.98 3ikf h LEU 42 N 0.09 0.58 -0.86 4.19 5.85 -1.90 -2.08 115.31 121.18 3ikf h LEU 42 Ca 0.45 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 3ikf h LEU 42 Cb 0.81 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3ikf h LEU 42 CO -0.72 0.74 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.98 3ikf h LEU 43 N 0.40 0.75 -0.31 2.25 3.38 -1.83 -2.08 115.31 117.87 3ikf h LEU 43 Ca 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3ikf h LEU 43 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ikf h LEU 43 CO 0.02 0.86 0.13 0.45 0.09 0.00 0.00 178.44 179.99 3ikf h HIS 44 N 0.70 0.47 -0.20 1.13 3.86 -1.23 0.62 115.15 120.51 3ikf h HIS 44 Ca 0.13 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3ikf h HIS 44 Cb 0.54 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 3ikf h HIS 44 CO 0.03 0.44 -0.05 0.00 0.86 0.00 0.00 177.93 179.22 3ikf h ALA 45 N 0.98 0.13 -0.78 2.45 0.00 -1.28 0.20 119.26 120.96 3ikf h ALA 45 Ca 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ikf h ALA 45 Cb 0.17 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ikf h ALA 45 CO -0.01 -0.47 0.41 0.82 0.00 0.00 0.00 179.25 179.99 3ikf h ILE 46 N 0.00 1.23 -0.02 0.00 2.04 -1.23 -0.05 117.51 119.49 3ikf h ILE 46 Ca 0.09 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3ikf h ILE 46 Cb 0.14 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3ikf h ILE 46 CO -0.20 0.27 0.01 0.74 0.00 0.00 0.00 178.15 178.97 3ikf h THR 47 N 1.09 1.08 -0.63 -0.27 2.02 0.02 -1.38 112.91 114.84 3ikf h THR 47 Ca 0.27 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.26 3ikf h THR 47 Cb 0.05 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3ikf h THR 47 CO -0.04 0.07 0.35 0.44 0.37 0.00 0.00 175.52 176.71 3ikf h ASP 48 N -0.07 0.53 -0.76 4.18 3.45 -0.35 -1.17 116.42 122.22 3ikf h ASP 48 Ca 0.01 0.03 0.05 0.00 0.43 0.00 0.00 57.03 57.54 3ikf h ASP 48 Cb 0.10 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 38.73 3ikf h ASP 48 CO -0.00 0.35 0.46 0.00 -1.57 0.00 0.00 179.24 178.49 3ikf h ALA 49 N 1.32 1.02 -0.15 3.45 0.00 -0.80 0.41 119.26 124.51 3ikf h ALA 49 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ikf h ALA 49 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ikf h ALA 49 CO -0.17 0.21 0.01 -0.07 0.00 0.00 0.00 179.25 179.23 3ikf h LEU 50 N 0.87 0.26 -1.23 0.00 3.38 -0.65 -1.35 115.31 116.59 3ikf h LEU 50 Ca 0.32 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ikf h LEU 50 Cb 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3ikf h LEU 50 CO -0.15 0.50 0.38 -0.26 0.09 0.00 0.00 178.44 179.00 3ikf h PHE 51 N 0.02 0.88 -0.22 1.13 0.04 -1.07 -2.20 116.94 115.52 3ikf h PHE 51 Ca 0.04 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3ikf h PHE 51 Cb 0.36 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3ikf h PHE 51 CO 0.03 0.60 0.13 0.78 -0.60 0.00 0.00 178.31 179.25 3ikf h GLY 52 N 0.97 0.32 1.24 -1.45 0.00 -0.75 0.32 103.07 103.71 3ikf h GLY 52 Ca 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3ikf h GLY 52 CO -0.04 0.13 0.37 0.00 0.00 0.00 0.00 176.54 177.00 3ikf h ALA 53 N 1.03 1.32 0.00 3.60 0.00 -1.03 -1.73 119.26 122.44 3ikf h ALA 53 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ikf h ALA 53 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ikf h ALA 53 CO -0.01 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3ikf n ALA 54 N -2.43 2.08 -3.37 0.00 0.00 -0.85 -4.64 120.51 111.31 3ikf n ALA 54 Ca 0.07 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 3ikf n ALA 54 Cb 0.11 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.19 3ikf n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikf n ALA 55 N -1.79 -1.31 -1.02 0.00 0.00 -0.20 -4.94 120.51 111.24 3ikf n ALA 55 Ca 0.04 0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.76 3ikf n ALA 55 Cb 0.37 -3.95 0.29 0.00 0.00 0.00 0.00 19.45 16.16 3ikf n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ikf n LEU 56 N -4.13 4.55 0.00 0.00 4.77 -0.07 -5.03 117.00 117.08 3ikf n LEU 56 Ca -0.07 -3.09 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 3ikf n LEU 56 Cb 0.58 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3ikf n LEU 56 CO 0.54 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3ikf n GLY 57 N -0.30 0.99 3.63 -0.72 0.00 -1.26 -4.90 105.19 102.63 3ikf n GLY 57 Ca 0.26 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 3ikf n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ikf s ASP 58 N -4.00 0.21 0.25 1.61 1.47 -1.26 -4.15 116.67 110.80 3ikf s ASP 58 Ca 0.00 -1.11 -0.04 0.00 1.18 0.00 0.00 52.55 52.58 3ikf s ASP 58 Cb 0.00 0.67 0.40 0.00 -0.34 0.00 0.00 42.92 43.66 3ikf s ASP 58 CO 0.00 -1.31 1.82 -0.29 0.68 0.00 0.00 175.17 176.07 3ikf h ILE 59 N 2.14 0.93 -0.81 2.11 2.10 -1.90 -2.07 117.51 120.02 3ikf h ILE 59 Ca -0.27 -0.29 0.05 0.00 1.08 0.00 0.00 64.86 65.42 3ikf h ILE 59 Cb 1.25 0.02 -0.05 0.00 -1.09 0.00 0.00 36.82 36.94 3ikf h ILE 59 CO 0.36 0.15 0.53 1.23 -1.08 0.00 0.00 178.15 179.35 3ikf h GLY 60 N 0.84 1.13 1.76 8.18 0.00 -1.98 0.52 103.07 113.53 3ikf h GLY 60 Ca 0.40 -0.38 -0.20 0.00 0.00 0.00 0.00 47.33 47.16 3ikf h GLY 60 CO -0.24 0.31 -0.86 3.21 0.00 0.00 0.00 176.54 178.96 3ikf h ARG 61 N 0.95 0.22 0.15 4.80 3.08 -1.79 -3.32 114.38 118.47 3ikf h ARG 61 Ca 0.33 -0.23 -0.25 0.00 0.07 0.00 0.00 59.98 59.91 3ikf h ARG 61 Cb 0.12 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.24 3ikf h ARG 61 CO -0.11 0.95 -1.17 0.45 -1.07 0.00 0.00 179.97 179.03 3ikf h HIS 62 N 0.12 0.58 -3.03 3.04 3.86 -1.11 -3.42 115.15 115.18 3ikf h HIS 62 Ca -0.04 -0.42 -0.62 0.00 -1.16 0.00 0.00 60.37 58.13 3ikf h HIS 62 Cb 1.48 -0.02 -0.41 0.00 1.06 0.00 0.00 27.41 29.52 3ikf h HIS 62 CO 0.03 1.45 -0.66 -0.06 0.86 0.00 0.00 177.93 179.56 3ikf s PHE 63 N -2.48 2.98 0.43 2.45 0.08 0.14 -5.10 117.98 116.49 3ikf s PHE 63 Ca -0.15 -3.07 -0.25 0.00 0.12 0.00 0.00 56.93 53.58 3ikf s PHE 63 Cb 0.03 -2.39 -0.08 0.00 -0.57 0.00 0.00 43.02 40.01 3ikf s PHE 63 CO 0.82 -0.65 1.34 0.45 -0.10 0.00 0.00 175.22 177.09 3ikf s SER 64 N -0.83 6.12 0.00 1.36 0.15 -1.25 -4.64 113.70 114.61 3ikf s SER 64 Ca 0.24 2.74 0.13 0.00 0.70 0.00 0.00 55.95 59.75 3ikf s SER 64 Cb -0.10 -2.64 0.72 0.00 -1.71 0.00 0.00 66.02 62.29 3ikf s SER 64 CO -0.12 -0.99 1.22 -0.90 1.20 0.00 0.00 173.24 173.65 3ikf n ASP 65 N -0.05 0.00 -0.01 5.45 3.85 -1.26 -2.78 116.55 121.75 3ikf n ASP 65 Ca 0.05 -0.26 -0.01 0.00 -0.71 0.00 0.00 54.79 53.86 3ikf n ASP 65 Cb 0.43 -0.08 -0.02 0.00 -1.35 0.00 0.00 41.12 40.11 3ikf n ASP 65 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3ikf n THR 66 N -1.08 0.15 -1.02 2.12 -2.24 -1.26 -5.08 114.28 105.87 3ikf n THR 66 Ca 0.08 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 3ikf n THR 66 Cb 0.06 -0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 67.43 3ikf n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ikf n ASP 67 N -2.28 0.48 0.28 3.42 -0.08 -1.12 -4.80 116.55 112.44 3ikf n ASP 67 Ca -0.04 0.72 0.14 0.00 -1.51 0.00 0.00 54.79 54.11 3ikf n ASP 67 Cb 0.56 -0.55 0.77 0.00 2.34 0.00 0.00 41.12 44.24 3ikf n ASP 67 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ikf h PRO 68 N 2.63 0.00 -0.00 -0.67 0.11 -1.98 -2.26 132.00 129.83 3ikf h PRO 68 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ikf h PRO 68 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3ikf h PRO 68 CO 0.53 0.00 -0.42 0.54 -0.21 0.00 0.00 178.00 178.44 3ikf n ARG 69 N -2.66 0.17 -3.77 1.05 3.00 -1.26 -5.08 116.66 108.11 3ikf n ARG 69 Ca -0.02 -0.10 -0.17 0.00 -0.01 0.00 0.00 57.85 57.55 3ikf n ARG 69 Cb 0.27 -1.50 -0.17 0.00 0.00 0.00 0.00 32.46 31.06 3ikf n ARG 69 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3ikf s PHE 70 N -2.89 0.14 0.03 -1.55 0.08 -0.85 -5.09 117.98 107.85 3ikf s PHE 70 Ca 0.14 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.32 3ikf s PHE 70 Cb 0.18 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 42.24 3ikf s PHE 70 CO 0.65 -0.14 0.00 0.00 -0.10 0.00 0.00 175.22 175.63 3ikf n ALA 73 N 4.59 -0.69 -1.99 5.36 0.00 -1.26 -5.02 120.51 121.49 3ikf n ALA 73 Ca -0.19 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 3ikf n ALA 73 Cb 0.50 -0.56 0.05 0.00 0.00 0.00 0.00 19.45 19.44 3ikf n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ikf s ASP 74 N -3.02 5.13 0.54 0.00 1.47 -1.26 -4.88 116.67 114.65 3ikf s ASP 74 Ca 0.00 -0.22 0.26 0.00 1.18 0.00 0.00 52.55 53.76 3ikf s ASP 74 Cb 0.00 -0.56 1.53 0.00 -0.34 0.00 0.00 42.92 43.55 3ikf s ASP 74 CO 0.00 -1.25 2.14 0.28 0.68 0.00 0.00 175.17 177.02 3ikf h SER 75 N 0.04 0.00 -0.39 2.11 0.02 -1.98 -0.33 113.55 113.01 3ikf h SER 75 Ca -0.39 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.43 3ikf h SER 75 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3ikf h SER 75 CO 0.48 0.07 -0.22 0.03 -1.14 0.00 0.00 176.83 176.04 3ikf h ARG 76 N 0.00 0.90 -0.32 3.45 3.08 -1.97 -0.85 114.38 118.66 3ikf h ARG 76 Ca -0.00 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3ikf h ARG 76 Cb 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3ikf h ARG 76 CO 0.01 1.03 0.12 0.00 -1.07 0.00 0.00 179.97 180.06 3ikf h ALA 77 N 0.96 0.42 -0.70 0.04 0.00 -1.45 0.06 119.26 118.60 3ikf h ALA 77 Ca 0.10 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3ikf h ALA 77 Cb 0.77 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3ikf h ALA 77 CO 0.06 0.03 0.41 -0.07 0.00 0.00 0.00 179.25 179.68 3ikf h LEU 78 N 0.37 0.62 -0.08 0.00 3.38 -1.42 0.75 115.31 118.94 3ikf h LEU 78 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ikf h LEU 78 Cb 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ikf h LEU 78 CO -0.01 0.41 0.05 0.25 0.09 0.00 0.00 178.44 179.23 3ikf h LEU 79 N 0.76 0.10 -0.50 1.67 5.85 -0.82 0.48 115.31 122.84 3ikf h LEU 79 Ca 0.31 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.09 3ikf h LEU 79 Cb 0.16 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3ikf h LEU 79 CO -0.17 0.09 0.15 0.03 -0.34 0.00 0.00 178.44 178.19 3ikf h ARG 80 N 0.10 0.30 -0.05 1.25 3.08 -0.57 -0.34 114.38 118.13 3ikf h ARG 80 Ca 0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ikf h ARG 80 Cb 0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3ikf h ARG 80 CO -0.01 0.20 0.02 1.49 -1.07 0.00 0.00 179.97 180.60 3ikf h GLU 81 N 0.31 0.08 -0.84 0.04 4.57 -0.50 -2.38 114.58 115.86 3ikf h GLU 81 Ca 0.25 -0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.57 3ikf h GLU 81 Cb 0.30 -0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 28.72 3ikf h GLU 81 CO -0.28 0.23 -0.26 0.00 -1.18 0.00 0.00 179.01 177.52 3ikf h ALA 83 N 1.65 1.39 -0.19 0.00 0.00 -0.79 0.21 119.26 121.54 3ikf h ALA 83 Ca 0.38 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 3ikf h ALA 83 Cb 0.61 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ikf h ALA 83 CO -0.87 0.44 -0.69 1.03 0.00 0.00 0.00 179.25 179.15 3ikf h SER 84 N 0.11 0.94 -0.65 0.00 0.87 -0.71 -1.11 113.55 112.99 3ikf h SER 84 Ca 0.02 -0.60 -0.01 0.00 -1.23 0.00 0.00 61.79 59.97 3ikf h SER 84 Cb 0.58 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3ikf h SER 84 CO 0.04 1.38 0.38 0.03 -0.53 0.00 0.00 176.83 178.14 3ikf h ARG 85 N 0.55 0.89 -0.24 2.24 3.08 -0.89 -1.26 114.38 118.75 3ikf h ARG 85 Ca -0.03 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 59.97 3ikf h ARG 85 Cb 1.32 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 3ikf h ARG 85 CO 0.15 0.64 0.02 0.28 -1.07 0.00 0.00 179.97 179.98 3ikf h VAL 86 N 0.88 0.85 -0.66 2.04 2.07 -0.91 -2.20 116.25 118.32 3ikf h VAL 86 Ca 0.23 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.79 3ikf h VAL 86 Cb -0.01 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3ikf h VAL 86 CO -0.04 0.02 0.34 0.00 0.02 0.00 0.00 177.57 177.91 3ikf h ALA 87 N 1.20 0.89 -0.00 1.67 0.00 -0.83 -2.62 119.26 119.56 3ikf h ALA 87 Ca 0.11 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3ikf h ALA 87 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ikf h ALA 87 CO -0.18 -0.01 -0.43 1.96 0.00 0.00 0.00 179.25 180.58 3ikf h GLN 88 N 0.62 0.01 0.00 0.00 1.08 -1.00 -0.26 115.11 115.55 3ikf h GLN 88 Ca 0.31 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 3ikf h GLN 88 Cb 0.26 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3ikf h GLN 88 CO -0.22 0.44 0.00 0.00 -0.95 0.00 0.00 178.83 178.10 3ikf n ALA 89 N -2.46 1.52 0.00 3.87 0.00 -0.85 -4.86 120.51 117.74 3ikf n ALA 89 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3ikf n ALA 89 Cb 0.46 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3ikf n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikf n GLY 90 N -0.31 1.16 3.54 0.00 0.00 -0.11 -5.10 105.19 104.37 3ikf n GLY 90 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3ikf n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ikf s PHE 91 N -2.00 3.07 -0.13 1.61 0.08 -1.01 -4.33 117.98 115.26 3ikf s PHE 91 Ca 0.00 -0.19 -0.13 0.00 0.12 0.00 0.00 56.93 56.73 3ikf s PHE 91 Cb 0.00 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 3ikf s PHE 91 CO 0.00 0.05 0.28 0.00 -0.10 0.00 0.00 175.22 175.45 3ikf s ALA 92 N 0.22 3.65 -0.06 5.36 0.00 0.15 -3.78 121.76 127.30 3ikf s ALA 92 Ca -0.01 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 3ikf s ALA 92 Cb -0.14 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 3ikf s ALA 92 CO 0.02 0.22 1.17 0.42 0.00 0.00 0.00 175.76 177.60 3ikf s ILE 93 N 0.03 4.33 -0.20 0.00 1.01 -1.26 -0.87 121.20 124.24 3ikf s ILE 93 Ca 0.17 1.65 -0.14 0.00 0.00 0.00 0.00 60.65 62.33 3ikf s ILE 93 Cb -0.13 -4.06 -0.20 0.00 0.01 0.00 0.00 42.46 38.08 3ikf s ILE 93 CO 0.05 0.01 0.14 0.54 0.00 0.00 0.00 174.94 175.68 3ikf n ARG 94 N 5.11 0.64 -3.53 2.79 5.12 0.32 -4.97 116.66 122.13 3ikf n ARG 94 Ca 0.10 0.40 -0.09 0.00 -1.93 0.00 0.00 57.85 56.34 3ikf n ARG 94 Cb 0.47 -1.68 -0.02 0.00 -1.16 0.00 0.00 32.46 30.07 3ikf n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ikf s ASN 95 N -6.98 -0.38 0.00 0.55 4.22 -1.09 -4.84 114.94 106.41 3ikf s ASN 95 Ca -0.29 -0.08 0.03 0.00 -2.14 0.00 0.00 52.86 50.38 3ikf s ASN 95 Cb 0.08 0.46 -0.01 0.00 1.28 0.00 0.00 41.25 43.06 3ikf s ASN 95 CO 0.63 -0.77 -0.10 -0.69 -2.04 0.00 0.00 177.10 174.14 3ikf s VAL 96 N -3.32 0.76 0.05 3.54 1.01 -0.52 -1.69 120.40 120.22 3ikf s VAL 96 Ca 0.05 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3ikf s VAL 96 Cb -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3ikf s VAL 96 CO -0.08 0.15 -0.07 -0.62 0.00 0.00 0.00 175.10 174.48 3ikf s ASP 97 N -0.40 0.83 0.19 3.32 2.15 -0.55 -1.06 116.67 121.15 3ikf s ASP 97 Ca 0.03 -0.68 -0.19 0.00 0.43 0.00 0.00 52.55 52.14 3ikf s ASP 97 Cb -0.04 0.07 0.04 0.00 -0.30 0.00 0.00 42.92 42.68 3ikf s ASP 97 CO -0.00 -0.30 0.55 -0.94 -0.17 0.00 0.00 175.17 174.31 3ikf s SER 98 N -1.98 -0.32 -0.02 -0.34 1.04 -0.93 -0.67 113.70 110.47 3ikf s SER 98 Ca -0.05 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.02 3ikf s SER 98 Cb -0.05 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.67 3ikf s SER 98 CO -0.02 -1.04 -0.03 -0.89 0.98 0.00 0.00 173.24 172.24 3ikf s THR 99 N -3.85 0.33 -0.18 2.02 2.01 0.38 -0.79 115.64 115.56 3ikf s THR 99 Ca 0.07 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 3ikf s THR 99 Cb -0.01 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 3ikf s THR 99 CO -0.05 0.15 0.06 -0.63 -0.69 0.00 0.00 174.62 173.46 3ikf s ILE 100 N 0.55 4.76 -0.33 1.82 1.01 0.71 -0.31 121.20 129.42 3ikf s ILE 100 Ca -0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 3ikf s ILE 100 Cb -0.09 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.27 3ikf s ILE 100 CO -0.01 0.47 0.11 -0.63 0.00 0.00 0.00 174.94 174.88 3ikf s ILE 101 N 0.32 3.86 -0.06 2.92 1.01 -0.05 -0.28 121.20 128.92 3ikf s ILE 101 Ca 0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 3ikf s ILE 101 Cb -0.12 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.23 3ikf s ILE 101 CO 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 174.94 174.96 3ikf s ALA 102 N 1.43 -0.31 0.29 9.38 0.00 0.02 -2.34 121.76 130.23 3ikf s ALA 102 Ca -0.01 0.59 0.14 0.00 0.00 0.00 0.00 51.96 52.68 3ikf s ALA 102 Cb -0.19 -0.38 0.60 0.00 0.00 0.00 0.00 23.12 23.15 3ikf s ALA 102 CO 0.03 -0.13 1.73 0.37 0.00 0.00 0.00 175.76 177.77 3ikf h GLN 103 N 6.75 0.00 -1.85 0.00 5.75 -1.81 -3.35 115.11 120.60 3ikf h GLN 103 Ca -0.36 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.22 3ikf h GLN 103 Cb 1.16 0.00 -0.20 0.00 1.07 0.00 0.00 27.48 29.52 3ikf h GLN 103 CO 0.42 0.46 0.51 0.00 -2.65 0.00 0.00 178.83 177.57 3ikf s ALA 104 N -3.83 -1.88 1.01 3.38 0.00 -1.26 -4.84 121.76 114.33 3ikf s ALA 104 Ca -0.02 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 3ikf s ALA 104 Cb 0.13 -0.24 0.20 0.00 0.00 0.00 0.00 23.12 23.21 3ikf s ALA 104 CO 0.73 -0.45 1.21 -1.25 0.00 0.00 0.00 175.76 175.99 3ikf s PRO 105 N -1.86 0.31 0.10 0.00 0.04 -1.26 -5.05 135.00 127.29 3ikf s PRO 105 Ca 0.00 -0.12 -0.32 0.00 0.04 0.00 0.00 61.00 60.61 3ikf s PRO 105 Cb -0.01 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.64 3ikf s PRO 105 CO -0.02 -2.68 1.82 0.36 0.04 0.00 0.00 177.00 176.53 3ikf n LYS 106 N -4.02 2.65 -0.00 4.56 0.00 -1.26 -4.90 118.16 115.19 3ikf n LYS 106 Ca 0.12 0.97 0.11 0.00 -0.00 0.00 0.00 58.31 59.51 3ikf n LYS 106 Cb 0.59 -2.84 -0.16 0.00 -0.00 0.00 0.00 35.03 32.62 3ikf n LYS 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3ikf n LEU 107 N 5.60 0.07 -0.28 -5.58 4.77 -1.26 -4.56 117.00 115.76 3ikf n LEU 107 Ca 0.19 0.03 0.10 0.00 -0.03 0.00 0.00 56.01 56.29 3ikf n LEU 107 Cb 0.36 -0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.69 3ikf n LEU 107 CO 0.67 -0.01 0.96 0.00 -1.33 0.00 0.00 177.39 177.67 3ikf h ALA 108 N 2.00 1.16 0.00 -1.18 0.00 -1.96 -0.23 119.26 119.04 3ikf h ALA 108 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ikf h ALA 108 Cb 1.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ikf h ALA 108 CO 0.00 -0.38 0.02 -1.35 0.00 0.00 0.00 179.25 177.54 3ikf h PRO 109 N 0.27 0.00 -0.02 0.00 0.11 -2.01 -2.97 132.00 127.39 3ikf h PRO 109 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3ikf h PRO 109 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3ikf h PRO 109 CO -0.57 0.00 -0.09 0.72 -0.21 0.00 0.00 178.00 177.85 3ikf n HIS 110 N -3.06 0.00 -0.07 0.65 8.25 -0.10 -4.60 115.22 116.28 3ikf n HIS 110 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 3ikf n HIS 110 Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 3ikf n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ikf h ILE 111 N 3.31 1.09 -0.93 1.59 1.08 -1.54 -2.08 117.51 120.03 3ikf h ILE 111 Ca 0.00 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.32 3ikf h ILE 111 Cb 0.75 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 3ikf h ILE 111 CO 0.00 0.09 0.61 0.44 -0.69 0.00 0.00 178.15 178.59 3ikf h ASP 112 N 0.35 1.00 -0.38 1.72 3.32 -1.83 0.24 116.42 120.84 3ikf h ASP 112 Ca 0.10 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3ikf h ASP 112 Cb -0.01 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3ikf h ASP 112 CO -0.02 0.68 0.06 0.00 -1.72 0.00 0.00 179.24 178.24 3ikf h ALA 113 N 1.46 0.51 -0.38 3.45 0.00 -1.82 -1.10 119.26 121.38 3ikf h ALA 113 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ikf h ALA 113 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ikf h ALA 113 CO -0.12 0.22 0.24 0.52 0.00 0.00 0.00 179.25 180.12 3ikf h MET 114 N 0.48 0.51 -0.93 0.00 2.86 -0.72 -0.51 114.93 116.62 3ikf h MET 114 Ca 0.12 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3ikf h MET 114 Cb 0.37 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 3ikf h MET 114 CO 0.01 0.37 0.61 0.00 1.06 0.00 0.00 176.91 178.95 3ikf h ARG 115 N 0.51 1.16 -0.22 1.72 3.08 -0.92 -0.95 114.38 118.76 3ikf h ARG 115 Ca 0.14 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ikf h ARG 115 Cb -0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 3ikf h ARG 115 CO -0.03 0.77 0.12 0.00 -1.07 0.00 0.00 179.97 179.76 3ikf h ALA 116 N 1.37 0.28 -0.24 0.04 0.00 -0.68 -0.51 119.26 119.53 3ikf h ALA 116 Ca 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ikf h ALA 116 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ikf h ALA 116 CO -0.11 -0.20 0.14 -0.91 0.00 0.00 0.00 179.25 178.17 3ikf h ASN 117 N 0.25 0.29 -0.34 0.00 2.35 -0.64 0.36 115.58 117.85 3ikf h ASN 117 Ca 0.08 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3ikf h ASN 117 Cb 0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3ikf h ASN 117 CO -0.01 0.26 0.02 0.40 -1.65 0.00 0.00 177.43 176.45 3ikf h ILE 118 N 0.29 1.25 -0.56 2.81 2.04 -1.17 0.10 117.51 122.28 3ikf h ILE 118 Ca 0.09 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3ikf h ILE 118 Cb 0.03 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3ikf h ILE 118 CO -0.02 0.31 0.31 0.00 0.00 0.00 0.00 178.15 178.75 3ikf h ALA 119 N 0.87 0.72 0.35 1.87 0.00 -1.02 0.80 119.26 122.84 3ikf h ALA 119 Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ikf h ALA 119 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ikf h ALA 119 CO 0.01 0.23 -0.46 0.00 0.00 0.00 0.00 179.25 179.04 3ikf h ALA 120 N 1.14 -0.96 -0.53 0.00 0.00 -0.62 -1.47 119.26 116.82 3ikf h ALA 120 Ca 0.20 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3ikf h ALA 120 Cb 0.03 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3ikf h ALA 120 CO -0.03 -1.09 0.35 -0.44 0.00 0.00 0.00 179.25 178.04 3ikf h ASP 121 N -0.85 0.44 0.02 0.00 3.32 -0.56 -2.13 116.42 116.66 3ikf h ASP 121 Ca -0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ikf h ASP 121 Cb 0.78 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3ikf h ASP 121 CO -0.13 0.29 -0.09 0.18 -1.72 0.00 0.00 179.24 177.77 3ikf n LEU 122 N -4.47 1.87 -3.82 1.55 4.77 0.25 -4.48 117.00 112.66 3ikf n LEU 122 Ca 0.07 -0.62 -0.25 0.00 -0.03 0.00 0.00 56.01 55.18 3ikf n LEU 122 Cb 0.23 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3ikf n LEU 122 CO 0.34 0.32 -0.05 -0.67 -1.33 0.00 0.00 177.39 176.01 3ikf n ASP 123 N 0.33 -2.09 -4.59 -1.43 2.03 -0.63 -5.01 116.55 105.16 3ikf n ASP 123 Ca 0.16 -0.85 -0.30 0.00 0.52 0.00 0.00 54.79 54.32 3ikf n ASP 123 Cb 0.43 -3.79 -0.10 0.00 -0.72 0.00 0.00 41.12 36.94 3ikf n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ikf s LEU 124 N -6.91 3.10 0.33 -2.67 1.43 -0.73 -5.06 118.68 108.16 3ikf s LEU 124 Ca 0.21 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 3ikf s LEU 124 Cb -0.11 -1.87 -0.13 0.00 0.03 0.00 0.00 46.19 44.12 3ikf s LEU 124 CO 0.83 0.20 1.27 -2.65 0.23 0.00 0.00 176.35 176.24 3ikf n PRO 125 N 0.87 2.05 -0.03 1.29 -0.02 -1.26 -4.66 135.00 133.24 3ikf n PRO 125 Ca -0.14 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 3ikf n PRO 125 Cb 0.52 -2.29 0.57 0.00 -0.02 0.00 0.00 33.50 32.29 3ikf n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ikf h LEU 126 N 2.64 0.22 0.00 2.45 5.85 -1.94 -1.70 115.31 122.83 3ikf h LEU 126 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3ikf h LEU 126 Cb 1.29 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3ikf h LEU 126 CO 0.63 0.13 0.00 -0.90 -0.34 0.00 0.00 178.44 177.97 3ikf n ASP 127 N -4.45 0.00 -0.68 1.25 5.68 -1.26 -2.36 116.55 114.73 3ikf n ASP 127 Ca 0.09 -1.66 0.06 0.00 -0.50 0.00 0.00 54.79 52.77 3ikf n ASP 127 Cb 0.42 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.56 3ikf n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ikf n ARG 128 N -0.60 2.87 -4.37 0.11 1.74 -0.64 -4.96 116.66 110.81 3ikf n ARG 128 Ca 0.04 -2.09 -0.25 0.00 -0.77 0.00 0.00 57.85 54.78 3ikf n ARG 128 Cb 0.02 -1.29 -0.17 0.00 -1.02 0.00 0.00 32.46 30.00 3ikf n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ikf s VAL 129 N -1.02 1.10 0.01 1.55 1.01 -1.00 -1.44 120.40 120.62 3ikf s VAL 129 Ca 0.25 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3ikf s VAL 129 Cb 0.13 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 3ikf s VAL 129 CO 0.17 0.36 -0.11 0.21 0.00 0.00 0.00 175.10 175.72 3ikf s ASN 130 N 0.99 1.33 -0.03 3.32 2.47 -0.23 -4.98 114.94 117.81 3ikf s ASN 130 Ca -0.08 -0.30 0.02 0.00 0.42 0.00 0.00 52.86 52.92 3ikf s ASN 130 Cb -0.15 -0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.54 3ikf s ASN 130 CO -0.00 0.07 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.67 3ikf s VAL 131 N -0.53 0.75 0.17 -5.21 1.01 -1.26 -2.18 120.40 113.15 3ikf s VAL 131 Ca 0.02 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.77 3ikf s VAL 131 Cb -0.06 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3ikf s VAL 131 CO 0.00 0.24 -0.23 -0.54 0.00 0.00 0.00 175.10 174.57 3ikf s LYS 132 N 0.23 1.39 -0.07 2.72 1.02 0.03 -4.94 119.74 120.11 3ikf s LYS 132 Ca -0.04 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 54.57 3ikf s LYS 132 Cb -0.09 -1.66 -0.01 0.00 -0.52 0.00 0.00 37.83 35.55 3ikf s LYS 132 CO 0.00 0.36 -0.20 0.00 -0.92 0.00 0.00 175.35 174.59 3ikf s ALA 133 N -1.61 2.36 0.08 5.17 0.00 -1.26 -0.21 121.76 126.29 3ikf s ALA 133 Ca 0.17 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3ikf s ALA 133 Cb -0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3ikf s ALA 133 CO 0.08 0.41 -0.07 0.15 0.00 0.00 0.00 175.76 176.32 3ikf s LYS 134 N -0.17 0.75 0.45 0.00 -0.14 0.61 -4.94 119.74 116.30 3ikf s LYS 134 Ca -0.02 -1.14 0.08 0.00 -1.36 0.00 0.00 55.97 53.52 3ikf s LYS 134 Cb -0.14 -0.27 0.01 0.00 -1.68 0.00 0.00 37.83 35.75 3ikf s LYS 134 CO 0.04 0.02 0.47 0.95 -0.76 0.00 0.00 175.35 176.06 3ikf s THR 135 N -2.81 2.55 -0.67 2.17 -4.23 -1.26 -0.80 115.64 110.61 3ikf s THR 135 Ca 0.05 -1.25 0.16 0.00 -1.18 0.00 0.00 61.69 59.47 3ikf s THR 135 Cb -0.00 -2.80 0.77 0.00 1.34 0.00 0.00 72.50 71.81 3ikf s THR 135 CO -0.03 0.00 1.69 -3.20 -0.54 0.00 0.00 174.62 172.54 3ikf n ASN 136 N -1.72 5.26 -3.54 3.99 5.15 -1.26 -4.84 115.26 118.30 3ikf n ASN 136 Ca 0.05 -2.71 -0.26 0.00 -0.60 0.00 0.00 54.58 51.07 3ikf n ASN 136 Cb 0.61 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 39.25 3ikf n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ikf n GLU 137 N 0.84 -4.51 -1.45 1.20 -0.58 -1.26 -1.70 120.64 113.18 3ikf n GLU 137 Ca 0.27 0.60 -0.13 0.00 -0.42 0.00 0.00 57.16 57.47 3ikf n GLU 137 Cb 1.05 -5.41 -0.05 0.00 -0.57 0.00 0.00 31.44 26.45 3ikf n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ikf n LYS 138 N -4.18 -0.95 -4.15 3.49 5.02 -1.26 -5.00 118.16 111.14 3ikf n LYS 138 Ca -0.01 0.95 -0.36 0.00 -2.02 0.00 0.00 58.31 56.88 3ikf n LYS 138 Cb 0.55 -5.04 -0.08 0.00 -0.02 0.00 0.00 35.03 30.44 3ikf n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ikf s LEU 139 N -3.12 3.90 0.00 -0.35 1.43 -0.69 -4.61 118.68 115.25 3ikf s LEU 139 Ca 0.00 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3ikf s LEU 139 Cb 0.00 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3ikf s LEU 139 CO 0.00 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.55 3ikf n GLY 140 N 2.27 -1.66 0.37 -3.19 0.00 -1.26 -0.82 105.19 100.90 3ikf n GLY 140 Ca -0.19 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.75 3ikf n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ikf h TYR 141 N -0.44 0.81 -0.20 1.61 -0.00 -1.96 -0.07 116.97 116.72 3ikf h TYR 141 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.75 3ikf h TYR 141 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 36.90 3ikf h TYR 141 CO 0.00 0.30 0.08 -0.07 -0.00 0.00 0.00 178.16 178.47 3ikf h LEU 142 N 0.68 0.28 -1.59 0.10 3.38 -1.80 0.17 115.31 116.52 3ikf h LEU 142 Ca 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3ikf h LEU 142 Cb 0.72 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3ikf h LEU 142 CO -0.20 0.37 -0.07 1.23 0.09 0.00 0.00 178.44 179.86 3ikf h GLY 143 N 0.17 0.00 -0.48 0.83 0.00 -0.16 -2.05 103.07 101.38 3ikf h GLY 143 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3ikf h GLY 143 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.07 3ikf n ARG 144 N -3.23 1.66 -1.75 4.80 1.74 -0.12 -4.26 116.66 115.49 3ikf n ARG 144 Ca -0.00 -0.96 -0.07 0.00 -0.77 0.00 0.00 57.85 56.05 3ikf n ARG 144 Cb 0.30 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 3ikf n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ikf n GLY 145 N 1.16 0.41 0.02 -0.13 0.00 -0.77 -4.92 105.19 100.96 3ikf n GLY 145 Ca 0.19 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.66 3ikf n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ikf n GLU 146 N -2.10 0.07 -3.76 1.61 1.02 0.55 -4.65 120.64 113.38 3ikf n GLU 146 Ca -0.07 -0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 56.99 3ikf n GLU 146 Cb 0.42 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 3ikf n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ikf s GLY 147 N -2.96 -0.21 -0.01 0.62 0.00 -1.24 -0.33 107.32 103.19 3ikf s GLY 147 Ca 0.12 0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.98 3ikf s GLY 147 CO 0.71 0.17 -0.10 -0.42 0.00 0.00 0.00 173.10 173.46 3ikf s ILE 148 N -3.15 0.84 0.14 0.90 1.01 -0.60 -4.55 121.20 115.78 3ikf s ILE 148 Ca 0.13 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.42 3ikf s ILE 148 Cb -0.01 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3ikf s ILE 148 CO 0.02 0.24 -0.05 -0.70 0.00 0.00 0.00 174.94 174.46 3ikf s GLU 149 N -0.11 2.27 0.06 2.79 2.12 -0.99 -2.01 118.70 122.83 3ikf s GLU 149 Ca 0.02 -1.06 0.06 0.00 0.36 0.00 0.00 54.97 54.35 3ikf s GLU 149 Cb -0.06 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 3ikf s GLU 149 CO -0.00 0.48 -0.18 0.00 -0.54 0.00 0.00 175.26 175.03 3ikf s ALA 150 N -1.47 1.49 0.02 6.30 0.00 0.18 -0.87 121.76 127.41 3ikf s ALA 150 Ca 0.24 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.25 3ikf s ALA 150 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3ikf s ALA 150 CO 0.16 0.30 -0.19 -0.65 0.00 0.00 0.00 175.76 175.38 3ikf s GLN 151 N -1.41 1.40 0.03 0.00 -0.21 0.58 -2.00 119.66 118.03 3ikf s GLN 151 Ca 0.04 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.63 3ikf s GLN 151 Cb -0.09 -1.42 -0.02 0.00 1.00 0.00 0.00 33.01 32.48 3ikf s GLN 151 CO 0.02 0.38 -0.04 0.00 -2.12 0.00 0.00 175.29 173.53 3ikf s ALA 152 N -0.63 0.20 0.02 6.09 0.00 -0.26 -0.47 121.76 126.71 3ikf s ALA 152 Ca 0.07 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.42 3ikf s ALA 152 Cb -0.08 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3ikf s ALA 152 CO 0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 175.76 175.46 3ikf s ALA 153 N -1.62 1.22 -0.00 0.00 0.00 0.15 -0.59 121.76 120.91 3ikf s ALA 153 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3ikf s ALA 153 Cb -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3ikf s ALA 153 CO -0.01 0.26 0.00 0.00 0.00 0.00 0.00 175.76 176.01 3ikf s ALA 154 N -0.62 0.06 -0.13 0.00 0.00 0.05 -1.49 121.76 119.63 3ikf s ALA 154 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 3ikf s ALA 154 Cb -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3ikf s ALA 154 CO 0.01 -0.01 -0.05 -1.17 0.00 0.00 0.00 175.76 174.53 3ikf s LEU 155 N 0.20 3.19 0.28 0.00 2.96 -0.68 -1.07 118.68 123.56 3ikf s LEU 155 Ca -0.02 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3ikf s LEU 155 Cb -0.03 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 3ikf s LEU 155 CO -0.01 0.22 0.06 0.68 -1.32 0.00 0.00 176.35 175.99 3ikf s VAL 156 N 0.06 0.88 -0.04 1.68 -7.23 -0.38 -0.52 120.40 114.85 3ikf s VAL 156 Ca -0.01 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.13 3ikf s VAL 156 Cb -0.14 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.18 3ikf s VAL 156 CO 0.03 -0.06 0.09 0.54 -0.31 0.00 0.00 175.10 175.39 3ikf s VAL 157 N -3.53 -0.02 -2.82 1.32 0.11 -0.05 -1.13 120.40 114.28 3ikf s VAL 157 Ca 0.36 0.07 0.25 0.00 -2.93 0.00 0.00 61.98 59.73 3ikf s VAL 157 Cb 0.08 -0.15 0.32 0.00 -1.53 0.00 0.00 36.38 35.10 3ikf s VAL 157 CO 0.13 0.03 1.44 -1.14 -3.33 0.00 0.00 175.10 172.23