#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4i s PHE 3 N 0.00 3.54 0.12 3.52 0.40 -1.26 -5.06 117.98 119.24 3i4i s PHE 3 Ca 0.00 0.67 0.01 0.00 -0.60 0.00 0.00 56.93 57.01 3i4i s PHE 3 Cb 0.00 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 3i4i s PHE 3 CO 0.00 0.39 -0.01 -0.08 0.70 0.00 0.00 175.22 176.22 3i4i s THR 4 N -0.06 0.51 0.22 0.64 -1.32 -1.26 -4.86 115.64 109.51 3i4i s THR 4 Ca 0.18 -1.93 -0.29 0.00 -1.21 0.00 0.00 61.69 58.44 3i4i s THR 4 Cb -0.14 -1.88 -0.16 0.00 -1.51 0.00 0.00 72.50 68.82 3i4i s THR 4 CO 0.06 -0.68 0.80 1.57 -2.21 0.00 0.00 174.62 174.16 3i4i n HIS 5 N -0.10 0.42 -4.46 9.09 -0.00 -1.26 -4.71 115.22 114.19 3i4i n HIS 5 Ca -0.09 0.85 -0.22 0.00 0.46 0.00 0.00 57.72 58.71 3i4i n HIS 5 Cb 0.62 -2.11 -0.16 0.00 -0.12 0.00 0.00 29.99 28.22 3i4i n HIS 5 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 3i4i s PHE 6 N -0.87 1.14 -0.00 1.57 2.19 -0.19 -4.99 117.98 116.83 3i4i s PHE 6 Ca 0.65 -0.34 0.00 0.00 0.33 0.00 0.00 56.93 57.57 3i4i s PHE 6 Cb -0.86 -0.83 0.00 0.00 -1.31 0.00 0.00 43.02 40.02 3i4i s PHE 6 CO 0.57 -0.17 -0.00 0.20 1.83 0.00 0.00 175.22 177.65 3i4i s GLY 7 N 0.40 0.03 -0.08 13.12 0.00 -1.26 -1.09 107.32 118.44 3i4i s GLY 7 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 3i4i s GLY 7 CO 0.01 0.03 0.17 1.85 0.00 0.00 0.00 173.10 175.17 3i4i s GLU 8 N 0.06 0.10 0.00 2.90 2.56 -0.80 -5.02 118.70 118.50 3i4i s GLU 8 Ca -0.00 0.47 0.14 0.00 0.00 0.00 0.00 54.97 55.57 3i4i s GLU 8 Cb -0.01 -0.18 0.01 0.00 2.00 0.00 0.00 34.13 35.95 3i4i s GLU 8 CO -0.00 -0.21 0.79 0.41 -0.56 0.00 0.00 175.26 175.69 3i4i n GLY 9 N 4.55 -0.08 2.67 -1.50 0.00 -1.26 -1.81 105.19 107.75 3i4i n GLY 9 Ca -0.20 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 3i4i n GLY 9 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i4i n PHE 10 N -0.05 -1.45 0.09 1.61 3.72 -1.26 -4.56 117.46 115.55 3i4i n PHE 10 Ca 0.06 0.41 -0.18 0.00 -0.05 0.00 0.00 57.45 57.69 3i4i n PHE 10 Cb 0.29 -3.49 -0.14 0.00 -0.94 0.00 0.00 39.48 35.20 3i4i n PHE 10 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3i4i h ASP 11 N -1.09 0.49 -4.40 4.37 3.45 -1.94 -3.35 116.42 113.95 3i4i h ASP 11 Ca -0.37 -0.58 -0.11 0.00 0.43 0.00 0.00 57.03 56.39 3i4i h ASP 11 Cb 1.25 -0.16 -0.22 0.00 -0.56 0.00 0.00 39.33 39.65 3i4i h ASP 11 CO 0.39 1.47 -0.21 -0.31 -1.57 0.00 0.00 179.24 179.01 3i4i s TYR 12 N -2.63 -0.37 -0.34 4.55 4.12 -1.26 -4.77 117.35 116.65 3i4i s TYR 12 Ca -0.07 0.79 -0.26 0.00 0.02 0.00 0.00 57.07 57.55 3i4i s TYR 12 Cb 0.06 0.15 0.01 0.00 -1.52 0.00 0.00 41.96 40.67 3i4i s TYR 12 CO 0.88 -0.32 0.94 -0.47 0.02 0.00 0.00 175.55 176.60 3i4i s TYR 13 N -0.48 3.13 -0.38 2.71 5.04 -1.26 -5.01 117.35 121.10 3i4i s TYR 13 Ca -0.06 0.92 -0.07 0.00 -2.44 0.00 0.00 57.07 55.42 3i4i s TYR 13 Cb -0.04 -3.56 0.06 0.00 0.35 0.00 0.00 41.96 38.78 3i4i s TYR 13 CO 0.03 -0.74 0.17 0.34 -1.34 0.00 0.00 175.55 174.01 3i4i s ASP 14 N 1.74 5.42 0.39 4.32 -1.08 -1.26 -4.98 116.67 121.22 3i4i s ASP 14 Ca 0.39 -1.41 0.28 0.00 -0.52 0.00 0.00 52.55 51.29 3i4i s ASP 14 Cb -0.13 -1.90 1.38 0.00 -1.46 0.00 0.00 42.92 40.81 3i4i s ASP 14 CO 0.16 -0.44 1.84 0.77 0.52 0.00 0.00 175.17 178.02 3i4i h SER 15 N 8.26 0.00 1.16 -0.34 4.64 -1.96 0.10 113.55 125.42 3i4i h SER 15 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3i4i h SER 15 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3i4i h SER 15 CO 0.67 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 3i4i n GLN 16 N -2.49 0.13 0.00 4.77 1.13 -1.26 -4.27 117.38 115.39 3i4i n GLN 16 Ca -0.01 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 3i4i n GLN 16 Cb 0.12 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 28.80 3i4i n GLN 16 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i4i n LEU 17 N -1.90 1.40 -4.38 1.08 4.77 0.27 -4.75 117.00 113.50 3i4i n LEU 17 Ca 0.06 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.84 3i4i n LEU 17 Cb 0.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 3i4i n LEU 17 CO 0.27 0.23 -0.41 0.26 -1.33 0.00 0.00 177.39 176.42 3i4i s TRP 18 N -1.97 1.81 -0.05 -1.77 0.52 -0.71 -0.04 118.94 116.73 3i4i s TRP 18 Ca 0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 56.10 55.48 3i4i s TRP 18 Cb 0.00 -0.92 0.03 0.00 -1.15 0.00 0.00 33.47 31.42 3i4i s TRP 18 CO 0.00 0.32 0.02 -2.00 0.02 0.00 0.00 176.95 175.31 3i4i s GLU 19 N -3.68 0.27 -0.31 4.98 2.12 0.31 -4.40 118.70 117.98 3i4i s GLU 19 Ca 0.26 0.19 -0.25 0.00 0.36 0.00 0.00 54.97 55.53 3i4i s GLU 19 Cb 0.01 -0.64 0.00 0.00 0.26 0.00 0.00 34.13 33.77 3i4i s GLU 19 CO 0.09 -0.25 0.85 0.15 -0.54 0.00 0.00 175.26 175.56 3i4i s LYS 20 N 1.69 3.99 0.34 4.30 1.02 -1.26 -1.47 119.74 128.35 3i4i s LYS 20 Ca -0.00 0.69 -0.28 0.00 0.02 0.00 0.00 55.97 56.40 3i4i s LYS 20 Cb -0.13 -3.73 -0.10 0.00 -0.52 0.00 0.00 37.83 33.36 3i4i s LYS 20 CO -0.03 -0.72 1.28 0.00 -0.92 0.00 0.00 175.35 174.95 3i4i s ALA 21 N 3.10 3.44 -0.27 5.17 0.00 -0.16 -4.80 121.76 128.23 3i4i s ALA 21 Ca 0.35 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 3i4i s ALA 21 Cb -0.14 -3.46 0.16 0.00 0.00 0.00 0.00 23.12 19.68 3i4i s ALA 21 CO 0.13 -0.62 0.49 0.34 0.00 0.00 0.00 175.76 176.10 3i4i s ASP 22 N -0.60 -0.58 0.00 0.00 2.15 -1.25 -2.85 116.67 113.55 3i4i s ASP 22 Ca 0.50 0.61 0.00 0.00 0.43 0.00 0.00 52.55 54.09 3i4i s ASP 22 Cb -0.38 1.65 0.00 0.00 -0.30 0.00 0.00 42.92 43.89 3i4i s ASP 22 CO 0.50 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.84 3i4i n GLY 23 N 5.40 0.52 3.07 2.66 0.00 0.66 -4.98 105.19 112.53 3i4i n GLY 23 Ca -0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 3i4i n GLY 23 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3i4i s TRP 24 N -2.00 0.49 0.41 1.61 -2.14 -1.26 -4.98 118.94 111.07 3i4i s TRP 24 Ca 0.00 -0.98 0.06 0.00 2.66 0.00 0.00 56.10 57.84 3i4i s TRP 24 Cb 0.00 -0.36 -0.07 0.00 -3.10 0.00 0.00 33.47 29.94 3i4i s TRP 24 CO 0.00 -0.34 0.02 0.20 -2.66 0.00 0.00 176.95 174.16 3i4i s GLY 25 N -2.68 2.50 0.21 3.67 0.00 -1.26 -1.14 107.32 108.61 3i4i s GLY 25 Ca 0.03 -2.07 0.26 0.00 0.00 0.00 0.00 44.72 42.94 3i4i s GLY 25 CO -0.08 -2.06 1.72 0.70 0.00 0.00 0.00 173.10 173.37 3i4i n ASN 26 N -0.96 0.84 0.00 1.64 4.13 -1.26 -5.01 115.26 114.64 3i4i n ASN 26 Ca -0.06 0.53 0.00 0.00 1.68 0.00 0.00 54.58 56.73 3i4i n ASN 26 Cb 0.67 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 3i4i n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i4i n GLY 27 N 1.30 -0.29 7.00 7.41 0.00 -1.26 -4.88 105.19 114.47 3i4i n GLY 27 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3i4i n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4i n GLY 28 N 0.00 3.32 0.00 -0.02 0.00 -1.26 -0.15 105.19 107.08 3i4i n GLY 28 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3i4i n GLY 28 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i4i n VAL 29 N 0.00 0.97 -2.84 1.61 0.24 -1.26 -4.62 118.33 112.43 3i4i n VAL 29 Ca 0.00 0.24 -0.43 0.00 -2.04 0.00 0.00 64.34 62.12 3i4i n VAL 29 Cb 0.00 -0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 31.34 3i4i n VAL 29 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3i4i s PHE 30 N -2.97 3.05 -0.64 6.34 0.40 0.78 -1.73 117.98 123.22 3i4i s PHE 30 Ca 0.08 0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 57.01 3i4i s PHE 30 Cb 0.10 -3.68 0.36 0.00 0.51 0.00 0.00 43.02 40.31 3i4i s PHE 30 CO 0.26 -0.88 2.10 -1.71 0.70 0.00 0.00 175.22 175.69 3i4i n ASN 31 N 6.80 7.38 -3.65 1.36 5.15 -0.41 -4.16 115.26 127.72 3i4i n ASN 31 Ca 0.06 -3.64 -0.11 0.00 -0.60 0.00 0.00 54.58 50.29 3i4i n ASN 31 Cb 0.48 -1.03 -0.05 0.00 -0.53 0.00 0.00 39.78 38.65 3i4i n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i4i s ILE 33 N -3.44 5.28 0.11 0.00 -1.09 -1.01 -4.39 121.20 116.65 3i4i s ILE 33 Ca 0.01 0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.26 3i4i s ILE 33 Cb 0.01 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.25 3i4i s ILE 33 CO -0.09 0.32 1.06 0.26 -1.23 0.00 0.00 174.94 175.25 3i4i s TRP 34 N -1.35 3.64 -0.07 3.97 0.23 -0.29 -0.89 118.94 124.16 3i4i s TRP 34 Ca 0.30 1.62 0.03 0.00 -2.03 0.00 0.00 56.10 56.01 3i4i s TRP 34 Cb -0.13 -3.21 0.01 0.00 0.03 0.00 0.00 33.47 30.16 3i4i s TRP 34 CO 0.18 -0.41 -0.15 1.03 0.96 0.00 0.00 176.95 178.56 3i4i s ARG 35 N 0.24 2.06 0.53 4.98 1.81 -0.60 -0.24 118.95 127.72 3i4i s ARG 35 Ca 0.51 -0.54 0.23 0.00 -1.72 0.00 0.00 55.73 54.21 3i4i s ARG 35 Cb -0.26 -1.64 1.44 0.00 -0.45 0.00 0.00 34.95 34.04 3i4i s ARG 35 CO 0.31 0.07 2.13 0.00 -0.68 0.00 0.00 175.30 177.13 3i4i h ALA 36 N 6.91 1.59 0.00 2.13 0.00 -1.84 -2.28 119.26 125.77 3i4i h ALA 36 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i4i h ALA 36 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i4i h ALA 36 CO 0.47 0.09 0.00 2.48 0.00 0.00 0.00 179.25 182.29 3i4i n TYR 37 N -4.03 0.00 -0.19 0.00 0.18 -1.26 -2.23 117.16 109.62 3i4i n TYR 37 Ca -0.03 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.87 3i4i n TYR 37 Cb 0.16 -0.25 0.30 0.00 -0.38 0.00 0.00 39.34 39.16 3i4i n TYR 37 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3i4i n ASN 38 N -1.25 3.86 -4.70 9.48 5.03 -0.86 -4.79 115.26 122.02 3i4i n ASN 38 Ca 0.13 -2.00 -0.36 0.00 0.87 0.00 0.00 54.58 53.21 3i4i n ASN 38 Cb 0.19 -0.43 -0.08 0.00 -1.02 0.00 0.00 39.78 38.43 3i4i n ASN 38 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i4i s ILE 39 N -1.14 5.35 -0.03 2.41 1.01 -0.95 -0.46 121.20 127.39 3i4i s ILE 39 Ca 0.47 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.47 3i4i s ILE 39 Cb 0.25 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 39.19 3i4i s ILE 39 CO 0.33 0.38 -0.01 -0.70 0.00 0.00 0.00 174.94 174.94 3i4i s GLU 40 N 0.67 0.42 -0.29 2.79 2.12 -0.20 -4.99 118.70 119.22 3i4i s GLU 40 Ca 0.11 0.01 -0.07 0.00 0.36 0.00 0.00 54.97 55.38 3i4i s GLU 40 Cb -0.13 -0.53 0.00 0.00 0.26 0.00 0.00 34.13 33.74 3i4i s GLU 40 CO 0.02 -0.09 0.09 -0.51 -0.54 0.00 0.00 175.26 174.23 3i4i s LEU 41 N 0.84 3.86 -0.07 2.70 1.02 -1.26 0.54 118.68 126.31 3i4i s LEU 41 Ca -0.09 -0.64 -0.03 0.00 0.02 0.00 0.00 54.13 53.39 3i4i s LEU 41 Cb -0.12 -1.90 0.04 0.00 0.02 0.00 0.00 46.19 44.22 3i4i s LEU 41 CO -0.01 -0.18 0.14 -0.75 0.02 0.00 0.00 176.35 175.57 3i4i s LYS 42 N 1.53 0.05 -1.63 1.70 2.20 -0.59 -4.89 119.74 118.10 3i4i s LYS 42 Ca 0.03 0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 56.04 3i4i s LYS 42 Cb -0.17 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 35.92 3i4i s LYS 42 CO 0.03 -0.23 0.44 -0.25 -0.36 0.00 0.00 175.35 174.98 3i4i n ASP 43 N 4.68 -6.10 -0.51 1.43 8.00 -1.26 -0.56 116.55 122.22 3i4i n ASP 43 Ca -0.17 -0.21 -0.07 0.00 0.71 0.00 0.00 54.79 55.05 3i4i n ASP 43 Cb 0.51 -4.97 -0.03 0.00 -0.02 0.00 0.00 41.12 36.61 3i4i n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4i n GLY 44 N -1.39 0.88 3.18 0.44 0.00 -1.26 -5.02 105.19 102.03 3i4i n GLY 44 Ca -0.15 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 3i4i n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i4i s ILE 45 N -2.18 1.99 -0.28 -0.61 -1.09 0.27 -4.65 121.20 114.66 3i4i s ILE 45 Ca 0.00 -0.96 -0.29 0.00 -2.23 0.00 0.00 60.65 57.17 3i4i s ILE 45 Cb 0.00 -1.74 0.01 0.00 -1.58 0.00 0.00 42.46 39.15 3i4i s ILE 45 CO 0.00 0.54 1.09 -0.22 -1.23 0.00 0.00 174.94 175.12 3i4i s LEU 46 N 0.62 4.01 -0.31 2.97 2.96 -0.31 -1.55 118.68 127.06 3i4i s LEU 46 Ca -0.12 1.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.94 3i4i s LEU 46 Cb -0.17 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.00 3i4i s LEU 46 CO 0.03 -0.81 0.10 0.20 -1.32 0.00 0.00 176.35 174.55 3i4i s ASN 47 N 1.58 5.22 -0.22 3.68 0.01 0.19 -1.04 114.94 124.36 3i4i s ASN 47 Ca 0.46 -0.88 -0.09 0.00 -0.71 0.00 0.00 52.86 51.64 3i4i s ASN 47 Cb -0.14 -1.88 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 3i4i s ASN 47 CO 0.12 -0.25 0.11 -0.76 -1.51 0.00 0.00 177.10 174.81 3i4i s LEU 48 N 1.47 3.93 0.18 0.60 1.43 -0.24 -1.03 118.68 125.02 3i4i s LEU 48 Ca 0.01 0.07 0.11 0.00 -1.03 0.00 0.00 54.13 53.29 3i4i s LEU 48 Cb -0.18 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3i4i s LEU 48 CO 0.03 0.11 -0.23 -0.44 0.23 0.00 0.00 176.35 176.04 3i4i s SER 49 N 0.80 3.25 -0.21 2.29 0.01 0.39 -0.71 113.70 119.53 3i4i s SER 49 Ca 0.06 -0.85 -0.08 0.00 1.31 0.00 0.00 55.95 56.39 3i4i s SER 49 Cb -0.13 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 3i4i s SER 49 CO 0.02 0.10 0.09 -0.63 0.41 0.00 0.00 173.24 173.22 3i4i s ILE 50 N -1.66 4.85 0.39 1.44 1.01 -0.43 -3.57 121.20 123.23 3i4i s ILE 50 Ca 0.19 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.88 3i4i s ILE 50 Cb -0.08 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 3i4i s ILE 50 CO 0.09 0.42 0.18 0.42 0.00 0.00 0.00 174.94 176.04 3i4i s THR 51 N 0.71 0.38 0.19 2.92 -4.23 -0.65 -2.21 115.64 112.75 3i4i s THR 51 Ca 0.04 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.26 3i4i s THR 51 Cb -0.13 -2.37 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 3i4i s THR 51 CO 0.02 0.00 1.07 -1.81 -0.54 0.00 0.00 174.62 173.36 3i4i s ASP 52 N -3.54 7.32 0.91 3.99 1.11 -1.26 -0.85 116.67 124.35 3i4i s ASP 52 Ca 0.28 2.07 -0.14 0.00 0.18 0.00 0.00 52.55 54.94 3i4i s ASP 52 Cb 0.02 -2.61 0.15 0.00 1.07 0.00 0.00 42.92 41.56 3i4i s ASP 52 CO 0.19 -0.17 1.24 -0.62 1.18 0.00 0.00 175.17 176.99 3i4i s ASP 53 N -0.27 3.60 0.69 0.27 2.15 -0.43 -4.51 116.67 118.16 3i4i s ASP 53 Ca 0.48 0.56 -0.15 0.00 0.43 0.00 0.00 52.55 53.87 3i4i s ASP 53 Cb -0.29 -0.85 0.02 0.00 -0.30 0.00 0.00 42.92 41.50 3i4i s ASP 53 CO 0.35 -2.46 1.17 -0.04 -0.17 0.00 0.00 175.17 174.02 3i4i s MET 54 N -5.68 2.48 0.48 4.34 -1.94 -1.26 -4.89 119.30 112.83 3i4i s MET 54 Ca 0.68 1.63 0.23 0.00 -1.71 0.00 0.00 55.69 56.52 3i4i s MET 54 Cb -0.08 -1.89 1.26 0.00 2.01 0.00 0.00 34.83 36.13 3i4i s MET 54 CO 0.52 -1.54 1.90 -1.35 -0.01 0.00 0.00 175.02 174.54 3i4i h PRO 55 N -0.04 0.20 -0.22 2.03 0.11 -1.96 -1.79 132.00 130.33 3i4i h PRO 55 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i4i h PRO 55 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i4i h PRO 55 CO 0.52 0.13 0.00 0.43 -0.21 0.00 0.00 178.00 178.87 3i4i n SER 56 N -4.41 3.21 -4.76 -2.05 7.64 -1.26 -4.93 113.62 107.06 3i4i n SER 56 Ca 0.16 -1.99 -0.39 0.00 1.01 0.00 0.00 58.87 57.66 3i4i n SER 56 Cb 0.73 -0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 3i4i n SER 56 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i4i s SER 57 N -1.73 6.00 0.15 6.43 0.15 -0.67 -4.94 113.70 119.09 3i4i s SER 57 Ca 0.34 2.71 0.18 0.00 0.70 0.00 0.00 55.95 59.88 3i4i s SER 57 Cb 0.22 -2.64 0.78 0.00 -1.71 0.00 0.00 66.02 62.67 3i4i s SER 57 CO 0.31 -1.07 1.55 -1.54 1.20 0.00 0.00 173.24 173.69 3i4i n SER 58 N -0.22 0.36 -4.46 5.45 3.41 -1.26 -4.82 113.62 112.08 3i4i n SER 58 Ca 0.06 0.60 -0.25 0.00 -0.26 0.00 0.00 58.87 59.02 3i4i n SER 58 Cb 0.44 -0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 63.61 3i4i n SER 58 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i4i s LYS 59 N -3.20 1.66 0.41 4.33 -0.14 -1.26 -5.04 119.74 116.50 3i4i s LYS 59 Ca 0.04 -1.63 0.21 0.00 -1.36 0.00 0.00 55.97 53.22 3i4i s LYS 59 Cb 0.08 -1.83 0.86 0.00 -1.68 0.00 0.00 37.83 35.26 3i4i s LYS 59 CO 0.29 0.36 1.82 -1.35 -0.76 0.00 0.00 175.35 175.71 3i4i h PRO 60 N 2.66 0.00 -5.63 -1.68 0.11 -1.88 -3.43 132.00 122.16 3i4i h PRO 60 Ca -0.43 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.22 3i4i h PRO 60 Cb 1.24 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.17 3i4i h PRO 60 CO 0.55 0.30 -0.76 0.71 -0.21 0.00 0.00 178.00 178.58 3i4i s TYR 61 N -3.77 1.60 -0.13 0.65 2.02 -1.25 -1.32 117.35 115.16 3i4i s TYR 61 Ca -0.01 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 3i4i s TYR 61 Cb 0.11 -0.81 -0.00 0.00 -0.40 0.00 0.00 41.96 40.87 3i4i s TYR 61 CO 0.66 0.24 -0.19 0.00 -1.57 0.00 0.00 175.55 174.70 3i4i s ALA 62 N -2.28 2.37 0.10 3.71 0.00 -0.03 -2.40 121.76 123.24 3i4i s ALA 62 Ca 0.14 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3i4i s ALA 62 Cb -0.04 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.05 3i4i s ALA 62 CO 0.05 0.14 0.13 0.41 0.00 0.00 0.00 175.76 176.49 3i4i n GLY 63 N 3.76 2.17 3.00 0.00 0.00 -0.07 -1.64 105.19 112.41 3i4i n GLY 63 Ca -0.19 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.53 3i4i n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4i s ALA 64 N -2.13 0.48 -0.09 4.61 0.00 -1.13 -1.56 121.76 121.94 3i4i s ALA 64 Ca 0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 3i4i s ALA 64 Cb -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.10 3i4i s ALA 64 CO 0.06 0.06 0.20 -2.00 0.00 0.00 0.00 175.76 174.08 3i4i s GLU 65 N -0.67 0.16 -0.13 0.00 2.12 -1.26 -1.76 118.70 117.17 3i4i s GLU 65 Ca -0.03 0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.78 3i4i s GLU 65 Cb -0.05 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.21 3i4i s GLU 65 CO 0.00 -0.16 -0.19 -0.47 -0.54 0.00 0.00 175.26 173.90 3i4i s TYR 66 N 1.18 2.35 -0.00 5.30 5.04 0.22 -0.99 117.35 130.46 3i4i s TYR 66 Ca -0.09 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.38 3i4i s TYR 66 Cb -0.11 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.56 3i4i s TYR 66 CO -0.07 -0.56 -0.01 -0.98 -1.34 0.00 0.00 175.55 172.59 3i4i s ARG 67 N 0.92 0.08 0.57 4.97 1.70 -0.54 -0.23 118.95 126.43 3i4i s ARG 67 Ca -0.06 -0.03 -0.19 0.00 -0.47 0.00 0.00 55.73 54.97 3i4i s ARG 67 Cb -0.15 -0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.10 3i4i s ARG 67 CO -0.02 0.02 1.22 0.95 -1.08 0.00 0.00 175.30 176.38 3i4i s THR 68 N 0.02 2.64 0.16 4.99 -4.23 -0.28 0.11 115.64 119.04 3i4i s THR 68 Ca 0.00 0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 60.84 3i4i s THR 68 Cb -0.01 -3.17 -0.05 0.00 1.34 0.00 0.00 72.50 70.61 3i4i s THR 68 CO -0.00 -0.07 1.48 0.03 -0.54 0.00 0.00 174.62 175.52 3i4i h ARG 69 N 1.05 0.81 -6.83 3.99 2.47 -0.75 -3.44 114.38 111.68 3i4i h ARG 69 Ca -0.50 -0.46 -0.45 0.00 -1.26 0.00 0.00 59.98 57.30 3i4i h ARG 69 Cb 1.29 0.03 0.04 0.00 -1.65 0.00 0.00 29.97 29.68 3i4i h ARG 69 CO 0.56 1.09 -0.02 -0.51 0.56 0.00 0.00 179.97 181.65 3i4i s ASP 70 N -6.88 5.56 0.23 7.04 1.01 -1.26 -5.02 116.67 117.34 3i4i s ASP 70 Ca -0.10 0.25 0.09 0.00 0.71 0.00 0.00 52.55 53.50 3i4i s ASP 70 Cb 0.11 -1.31 -0.04 0.00 1.01 0.00 0.00 42.92 42.69 3i4i s ASP 70 CO 0.87 -0.95 -0.05 -0.54 0.21 0.00 0.00 175.17 174.71 3i4i s LYS 71 N -4.72 2.18 0.07 8.23 1.02 -1.26 -4.29 119.74 120.97 3i4i s LYS 71 Ca 0.53 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 55.18 3i4i s LYS 71 Cb -0.10 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 3i4i s LYS 71 CO 0.39 0.39 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.06 3i4i s PHE 72 N -2.09 0.91 0.00 3.18 0.08 0.13 -4.87 117.98 115.33 3i4i s PHE 72 Ca 0.29 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.78 3i4i s PHE 72 Cb -0.07 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 41.86 3i4i s PHE 72 CO 0.18 -0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.67 3i4i n GLY 73 N 1.07 3.83 3.55 4.36 0.00 -1.26 -2.16 105.19 114.59 3i4i n GLY 73 Ca -0.20 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3i4i n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i4i n TYR 74 N 0.00 0.53 -1.26 1.61 4.01 -1.26 -4.88 117.16 115.91 3i4i n TYR 74 Ca 0.00 0.56 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 3i4i n TYR 74 Cb 0.00 -2.13 0.00 0.00 -0.31 0.00 0.00 39.34 36.90 3i4i n TYR 74 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i4i n GLY 75 N 1.41 0.29 3.57 2.72 0.00 -0.46 -3.97 105.19 108.74 3i4i n GLY 75 Ca 0.11 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 3i4i n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i4i s LEU 76 N 0.00 4.26 -0.24 0.99 2.96 0.21 -0.94 118.68 125.92 3i4i s LEU 76 Ca 0.00 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 3i4i s LEU 76 Cb 0.00 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 3i4i s LEU 76 CO 0.00 -0.20 0.13 -0.31 -1.32 0.00 0.00 176.35 174.65 3i4i s TYR 77 N 1.87 3.21 0.04 5.38 1.51 -0.17 -1.11 117.35 128.07 3i4i s TYR 77 Ca 0.09 -0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 3i4i s TYR 77 Cb -0.16 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 3i4i s TYR 77 CO 0.11 -0.11 -0.22 -0.65 -1.11 0.00 0.00 175.55 173.57 3i4i s GLN 78 N 1.31 1.49 0.00 -0.62 -0.21 0.41 -1.64 119.66 120.40 3i4i s GLN 78 Ca 0.06 -0.96 0.03 0.00 0.02 0.00 0.00 55.36 54.51 3i4i s GLN 78 Cb -0.15 -1.61 -0.01 0.00 1.00 0.00 0.00 33.01 32.25 3i4i s GLN 78 CO 0.06 0.41 -0.10 0.08 -2.12 0.00 0.00 175.29 173.62 3i4i s VAL 79 N -0.78 0.81 -0.34 1.09 1.01 0.05 -0.83 120.40 121.40 3i4i s VAL 79 Ca 0.08 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 3i4i s VAL 79 Cb -0.09 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.62 3i4i s VAL 79 CO 0.02 0.16 0.16 -0.60 0.00 0.00 0.00 175.10 174.84 3i4i s ARG 80 N -0.41 2.95 0.12 2.72 3.52 -0.18 -1.28 118.95 126.39 3i4i s ARG 80 Ca 0.03 -0.98 -0.10 0.00 -0.13 0.00 0.00 55.73 54.55 3i4i s ARG 80 Cb -0.05 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 3i4i s ARG 80 CO -0.00 -0.59 0.27 0.00 -0.81 0.00 0.00 175.30 174.17 3i4i s MET 81 N 1.53 0.99 -0.33 5.12 0.23 -0.69 0.14 119.30 126.29 3i4i s MET 81 Ca 0.02 -0.97 -0.00 0.00 -1.03 0.00 0.00 55.69 53.70 3i4i s MET 81 Cb -0.18 0.38 0.11 0.00 -1.53 0.00 0.00 34.83 33.61 3i4i s MET 81 CO 0.05 -0.35 0.13 0.21 -2.03 0.00 0.00 175.02 173.03 3i4i s LYS 82 N -3.88 0.76 1.02 3.16 2.20 0.22 -2.11 119.74 121.12 3i4i s LYS 82 Ca 0.08 -1.20 -0.11 0.00 -0.36 0.00 0.00 55.97 54.38 3i4i s LYS 82 Cb 0.04 -1.95 0.21 0.00 -1.51 0.00 0.00 37.83 34.61 3i4i s LYS 82 CO -0.08 -1.03 1.08 -1.25 -0.36 0.00 0.00 175.35 173.72 3i4i s PRO 83 N 1.42 0.18 0.29 4.03 0.04 -1.25 -1.06 135.00 138.64 3i4i s PRO 83 Ca 0.11 1.13 -0.21 0.00 0.04 0.00 0.00 61.00 62.07 3i4i s PRO 83 Cb -0.19 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 3i4i s PRO 83 CO -0.20 -3.07 0.81 0.00 0.04 0.00 0.00 177.00 174.58 3i4i s ALA 84 N -2.61 3.30 -0.20 8.56 0.00 -1.25 -4.22 121.76 125.35 3i4i s ALA 84 Ca 0.67 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 3i4i s ALA 84 Cb -0.23 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3i4i s ALA 84 CO 0.61 0.27 -0.01 0.21 0.00 0.00 0.00 175.76 176.83 3i4i s LYS 85 N -2.31 3.56 -0.27 0.00 2.20 -1.26 -4.45 119.74 117.21 3i4i s LYS 85 Ca 0.49 -0.55 -0.28 0.00 -0.36 0.00 0.00 55.97 55.27 3i4i s LYS 85 Cb -0.15 -3.04 0.18 0.00 -1.51 0.00 0.00 37.83 33.30 3i4i s LYS 85 CO 0.20 -0.02 1.29 1.21 -0.36 0.00 0.00 175.35 177.68 3i4i s ASN 86 N 1.07 -0.13 0.44 1.43 3.84 -0.95 -5.03 114.94 115.61 3i4i s ASN 86 Ca 0.02 0.17 -0.25 0.00 0.21 0.00 0.00 52.86 53.01 3i4i s ASN 86 Cb -0.14 0.15 -0.09 0.00 -0.55 0.00 0.00 41.25 40.61 3i4i s ASN 86 CO 0.01 -0.09 1.29 -0.81 -2.79 0.00 0.00 177.10 174.71 3i4i n PRO 87 N 0.91 1.93 -0.89 0.43 -0.04 -1.26 -2.75 135.00 133.33 3i4i n PRO 87 Ca -0.05 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 3i4i n PRO 87 Cb 0.58 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 3i4i n PRO 87 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i4i n GLY 88 N 0.79 0.48 3.47 0.55 0.00 0.05 -4.21 105.19 106.32 3i4i n GLY 88 Ca 0.07 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 3i4i n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i4i s ILE 89 N -2.00 0.94 -0.04 -0.61 -4.36 -1.25 -0.72 121.20 113.15 3i4i s ILE 89 Ca 0.00 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 3i4i s ILE 89 Cb 0.00 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.12 3i4i s ILE 89 CO 0.00 0.00 0.10 -0.69 0.24 0.00 0.00 174.94 174.59 3i4i s VAL 90 N -3.29 -0.02 -0.08 8.37 1.01 -0.05 -1.49 120.40 124.86 3i4i s VAL 90 Ca 0.31 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.40 3i4i s VAL 90 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 3i4i s VAL 90 CO 0.15 0.03 -0.17 -0.44 0.00 0.00 0.00 175.10 174.67 3i4i s SER 91 N 0.49 3.72 0.06 3.32 0.01 -0.32 -1.88 113.70 119.11 3i4i s SER 91 Ca -0.04 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 56.93 3i4i s SER 91 Cb -0.05 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 3i4i s SER 91 CO -0.02 0.26 -0.13 -0.44 0.41 0.00 0.00 173.24 173.33 3i4i s SER 92 N -0.24 1.48 -0.06 2.44 0.01 0.11 -0.32 113.70 117.13 3i4i s SER 92 Ca 0.00 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3i4i s SER 92 Cb -0.13 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.08 3i4i s SER 92 CO 0.03 -0.08 -0.03 0.12 0.41 0.00 0.00 173.24 173.69 3i4i s PHE 93 N -1.19 0.75 0.17 2.43 5.36 -0.25 -2.92 117.98 122.33 3i4i s PHE 93 Ca -0.03 -0.22 -0.19 0.00 -0.96 0.00 0.00 56.93 55.53 3i4i s PHE 93 Cb -0.09 -0.74 0.04 0.00 -0.34 0.00 0.00 43.02 41.88 3i4i s PHE 93 CO 0.02 -0.26 0.53 -0.59 -1.46 0.00 0.00 175.22 173.45 3i4i s PHE 94 N 1.37 -0.27 0.15 10.12 -0.71 -0.54 -0.76 117.98 127.35 3i4i s PHE 94 Ca -0.04 -0.03 0.04 0.00 -1.04 0.00 0.00 56.93 55.86 3i4i s PHE 94 Cb -0.13 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 3i4i s PHE 94 CO -0.03 -0.86 0.15 0.95 -1.34 0.00 0.00 175.22 174.10 3i4i s THR 95 N -3.82 4.62 -0.26 -4.49 -4.23 -0.61 -0.20 115.64 106.66 3i4i s THR 95 Ca 0.05 -0.98 -0.13 0.00 -1.18 0.00 0.00 61.69 59.45 3i4i s THR 95 Cb -0.01 -3.35 0.08 0.00 1.34 0.00 0.00 72.50 70.57 3i4i s THR 95 CO -0.08 -0.08 0.62 -0.47 -0.54 0.00 0.00 174.62 174.07 3i4i s TYR 96 N -1.71 -1.02 0.22 3.99 6.14 -0.18 -3.05 117.35 121.74 3i4i s TYR 96 Ca 0.31 1.99 0.03 0.00 0.64 0.00 0.00 57.07 60.04 3i4i s TYR 96 Cb -0.10 0.58 -0.05 0.00 0.42 0.00 0.00 41.96 42.81 3i4i s TYR 96 CO 0.24 -0.52 0.00 -0.08 0.64 0.00 0.00 175.55 175.84 3i4i s THR 97 N 1.85 0.92 0.23 4.34 -1.32 -0.67 -0.71 115.64 120.28 3i4i s THR 97 Ca -0.09 -2.02 -0.22 0.00 -1.21 0.00 0.00 61.69 58.16 3i4i s THR 97 Cb -0.07 -2.31 0.06 0.00 -1.51 0.00 0.00 72.50 68.66 3i4i s THR 97 CO -0.18 -0.34 0.91 -0.83 -2.21 0.00 0.00 174.62 171.97 3i4i s GLY 98 N -3.28 0.02 0.43 6.08 0.00 -1.24 -2.19 107.32 107.14 3i4i s GLY 98 Ca 0.28 -0.27 0.12 0.00 0.00 0.00 0.00 44.72 44.85 3i4i s GLY 98 CO 0.08 0.61 1.99 -0.56 0.00 0.00 0.00 173.10 175.22 3i4i h PRO 99 N 2.00 0.16 -0.80 2.90 0.13 -1.73 0.16 132.00 134.81 3i4i h PRO 99 Ca -0.26 -0.03 0.19 0.00 -0.87 0.00 0.00 66.00 65.03 3i4i h PRO 99 Cb 1.23 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 3i4i h PRO 99 CO 0.31 0.26 0.55 -0.24 -0.23 0.00 0.00 178.00 178.65 3i4i h VAL 100 N 0.15 0.70 -0.64 1.56 3.04 -1.97 0.09 116.25 119.18 3i4i h VAL 100 Ca 0.03 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3i4i h VAL 100 Cb 0.26 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 3i4i h VAL 100 CO 0.01 0.05 0.00 1.41 -1.01 0.00 0.00 177.57 178.03 3i4i n HIS 101 N -4.44 1.07 -1.04 3.17 8.25 0.04 -4.92 115.22 117.36 3i4i n HIS 101 Ca 0.16 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 3i4i n HIS 101 Cb 0.69 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.71 3i4i n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4i n GLY 102 N 1.37 0.43 3.31 -1.41 0.00 0.02 -4.93 105.19 103.98 3i4i n GLY 102 Ca 0.23 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 3i4i n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4i s THR 103 N -2.00 1.27 0.89 2.61 -4.23 -1.18 -5.02 115.64 107.97 3i4i s THR 103 Ca 0.00 -2.09 -0.13 0.00 -1.18 0.00 0.00 61.69 58.30 3i4i s THR 103 Cb 0.00 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.80 3i4i s THR 103 CO 0.00 -0.55 0.69 -2.65 -0.54 0.00 0.00 174.62 171.57 3i4i n PRO 104 N -0.33 -0.15 -2.34 3.99 -0.02 -1.26 -2.48 135.00 132.40 3i4i n PRO 104 Ca -0.08 0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 61.05 3i4i n PRO 104 Cb 0.62 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 3i4i n PRO 104 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3i4i s TRP 105 N -2.32 2.14 -0.12 6.00 -0.00 -1.26 -3.66 118.94 119.73 3i4i s TRP 105 Ca 0.63 -0.02 -0.02 0.00 -0.00 0.00 0.00 56.10 56.69 3i4i s TRP 105 Cb -0.25 -4.41 -0.03 0.00 -0.00 0.00 0.00 33.47 28.78 3i4i s TRP 105 CO 0.61 -1.98 -0.06 -0.51 -0.00 0.00 0.00 176.95 175.01 3i4i s ASP 106 N 6.02 4.62 -0.26 5.86 1.11 -0.93 -1.19 116.67 131.91 3i4i s ASP 106 Ca 0.53 -0.12 -0.26 0.00 0.18 0.00 0.00 52.55 52.88 3i4i s ASP 106 Cb -0.06 -1.54 0.09 0.00 1.07 0.00 0.00 42.92 42.48 3i4i s ASP 106 CO 0.03 0.24 0.83 -0.70 1.18 0.00 0.00 175.17 176.74 3i4i s GLU 107 N -0.05 0.74 -0.04 8.23 2.12 -0.25 -1.67 118.70 127.77 3i4i s GLU 107 Ca 0.00 0.79 0.04 0.00 0.36 0.00 0.00 54.97 56.16 3i4i s GLU 107 Cb -0.13 0.36 -0.00 0.00 0.26 0.00 0.00 34.13 34.61 3i4i s GLU 107 CO 0.03 -0.11 -0.16 0.42 -0.54 0.00 0.00 175.26 174.90 3i4i s ILE 108 N 0.17 1.33 -0.03 -3.70 1.01 -1.17 0.40 121.20 119.20 3i4i s ILE 108 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.03 3i4i s ILE 108 Cb -0.05 -1.14 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 3i4i s ILE 108 CO -0.01 0.38 -0.15 -1.81 0.00 0.00 0.00 174.94 173.35 3i4i s ASP 109 N 0.02 1.92 -0.31 3.58 1.01 -0.16 -1.57 116.67 121.16 3i4i s ASP 109 Ca -0.03 -0.31 0.02 0.00 0.71 0.00 0.00 52.55 52.95 3i4i s ASP 109 Cb -0.11 -0.46 0.08 0.00 1.01 0.00 0.00 42.92 43.45 3i4i s ASP 109 CO 0.02 0.15 0.00 -0.63 0.21 0.00 0.00 175.17 174.92 3i4i s ILE 110 N -0.03 2.45 -0.20 0.77 1.01 0.06 -2.70 121.20 122.57 3i4i s ILE 110 Ca -0.01 -1.92 -0.04 0.00 0.00 0.00 0.00 60.65 58.67 3i4i s ILE 110 Cb -0.10 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3i4i s ILE 110 CO 0.01 -0.33 -0.02 -1.61 0.00 0.00 0.00 174.94 172.99 3i4i s GLU 111 N 1.05 3.53 -0.44 2.79 2.02 0.22 -1.09 118.70 126.78 3i4i s GLU 111 Ca 0.01 -0.56 -0.19 0.00 0.02 0.00 0.00 54.97 54.25 3i4i s GLU 111 Cb -0.20 -3.04 0.03 0.00 0.10 0.00 0.00 34.13 31.02 3i4i s GLU 111 CO -0.05 -0.05 0.55 -0.06 0.02 0.00 0.00 175.26 175.66 3i4i s PHE 112 N 1.14 3.11 -0.56 1.61 0.08 0.57 -0.26 117.98 123.68 3i4i s PHE 112 Ca 0.02 -0.25 -0.28 0.00 0.12 0.00 0.00 56.93 56.54 3i4i s PHE 112 Cb -0.14 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.16 3i4i s PHE 112 CO 0.01 -0.81 1.45 -0.51 -0.10 0.00 0.00 175.22 175.26 3i4i s LEU 113 N 2.48 3.40 0.64 -0.37 1.02 -1.26 -1.17 118.68 123.41 3i4i s LEU 113 Ca 0.17 0.32 0.22 0.00 0.02 0.00 0.00 54.13 54.86 3i4i s LEU 113 Cb -0.16 -3.04 1.11 0.00 0.02 0.00 0.00 46.19 44.12 3i4i s LEU 113 CO 0.16 -1.75 1.61 1.23 0.02 0.00 0.00 176.35 177.62 3i4i h GLY 114 N 13.31 0.00 2.00 -3.19 0.00 -1.42 -1.25 103.07 112.52 3i4i h GLY 114 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3i4i h GLY 114 CO 1.17 0.00 -0.02 0.07 0.00 0.00 0.00 176.54 177.76 3i4i h LYS 115 N 0.00 0.00 -0.68 4.80 2.10 -1.70 -2.52 116.57 118.56 3i4i h LYS 115 Ca 0.12 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.82 3i4i h LYS 115 Cb 1.41 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.55 3i4i h LYS 115 CO -0.00 0.02 -0.28 0.34 -2.00 0.00 0.00 179.45 177.53 3i4i s ASP 116 N -5.54 -1.08 -0.04 7.07 2.15 -0.47 -4.82 116.67 113.93 3i4i s ASP 116 Ca -0.03 -0.27 0.08 0.00 0.43 0.00 0.00 52.55 52.76 3i4i s ASP 116 Cb 0.12 1.49 0.29 0.00 -0.30 0.00 0.00 42.92 44.51 3i4i s ASP 116 CO 0.49 -0.15 1.12 0.35 -0.17 0.00 0.00 175.17 176.81 3i4i n THR 117 N 4.59 0.68 0.64 1.71 -2.24 -1.25 -2.52 114.28 115.90 3i4i n THR 117 Ca 0.08 -0.46 0.09 0.00 -2.27 0.00 0.00 64.05 61.49 3i4i n THR 117 Cb 0.58 -0.06 0.25 0.00 -2.10 0.00 0.00 70.33 69.00 3i4i n THR 117 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i4i n THR 118 N 0.31 0.52 -4.18 4.28 -2.24 -1.26 0.07 114.28 111.79 3i4i n THR 118 Ca 0.10 -0.58 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 3i4i n THR 118 Cb 0.40 0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.93 3i4i n THR 118 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i4i s LYS 119 N -1.48 0.83 0.14 -0.78 1.02 -1.05 0.16 119.74 118.58 3i4i s LYS 119 Ca 0.33 -1.01 0.11 0.00 0.02 0.00 0.00 55.97 55.42 3i4i s LYS 119 Cb 0.17 -0.77 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 3i4i s LYS 119 CO 0.24 0.16 -0.25 0.08 -0.92 0.00 0.00 175.35 174.66 3i4i s VAL 120 N -1.54 2.37 -0.17 3.17 1.01 -0.19 -4.64 120.40 120.42 3i4i s VAL 120 Ca -0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.17 3i4i s VAL 120 Cb -0.08 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3i4i s VAL 120 CO 0.02 0.05 -0.02 -1.58 0.00 0.00 0.00 175.10 173.57 3i4i s GLN 121 N -2.19 3.68 0.02 2.72 0.74 0.64 -0.40 119.66 124.88 3i4i s GLN 121 Ca 0.16 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.07 3i4i s GLN 121 Cb -0.10 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 31.01 3i4i s GLN 121 CO 0.07 0.20 0.08 -0.06 -0.55 0.00 0.00 175.29 175.03 3i4i s PHE 122 N 0.48 3.26 0.03 1.67 0.08 -0.16 -0.61 117.98 122.73 3i4i s PHE 122 Ca -0.03 0.17 -0.28 0.00 0.12 0.00 0.00 56.93 56.91 3i4i s PHE 122 Cb -0.14 -1.70 0.09 0.00 -0.57 0.00 0.00 43.02 40.70 3i4i s PHE 122 CO 0.03 0.54 0.92 1.21 -0.10 0.00 0.00 175.22 177.82 3i4i s ASN 123 N -1.93 -0.30 0.09 1.36 2.47 -1.10 -1.98 114.94 113.55 3i4i s ASN 123 Ca 0.25 -0.11 -0.17 0.00 0.42 0.00 0.00 52.86 53.25 3i4i s ASN 123 Cb -0.12 0.40 0.04 0.00 -1.45 0.00 0.00 41.25 40.12 3i4i s ASN 123 CO 0.16 -0.68 0.41 -0.72 -3.72 0.00 0.00 177.10 172.55 3i4i s TYR 124 N -3.14 -0.24 -0.04 0.43 1.13 -1.26 -0.98 117.35 113.25 3i4i s TYR 124 Ca 0.07 0.04 0.05 0.00 -1.41 0.00 0.00 57.07 55.83 3i4i s TYR 124 Cb -0.01 0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 41.09 3i4i s TYR 124 CO -0.06 -0.65 -0.21 0.71 -2.51 0.00 0.00 175.55 172.84 3i4i s TYR 125 N -3.23 1.99 -0.14 -3.49 1.51 0.16 -4.40 117.35 109.76 3i4i s TYR 125 Ca -0.01 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.49 3i4i s TYR 125 Cb 0.01 -1.32 0.04 0.00 -0.11 0.00 0.00 41.96 40.58 3i4i s TYR 125 CO -0.08 -0.16 0.01 0.99 -1.11 0.00 0.00 175.55 175.21 3i4i s THR 126 N -0.14 0.50 -1.55 -0.71 2.01 -0.76 -1.09 115.64 113.90 3i4i s THR 126 Ca -0.01 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 3i4i s THR 126 Cb -0.12 -0.83 0.10 0.00 0.01 0.00 0.00 72.50 71.67 3i4i s THR 126 CO 0.02 0.03 0.88 -3.20 -0.69 0.00 0.00 174.62 171.66 3i4i n ASN 127 N 5.08 -4.45 0.00 3.53 5.15 -0.42 -1.72 115.26 122.44 3i4i n ASN 127 Ca -0.08 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 3i4i n ASN 127 Cb 0.49 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 36.16 3i4i n ASN 127 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3i4i n SER 128 N -2.72 0.00 -4.57 1.20 7.64 -0.33 -4.78 113.62 110.06 3i4i n SER 128 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 3i4i n SER 128 Cb 0.52 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 3i4i n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4i s ALA 129 N -3.04 3.47 0.00 -0.43 0.00 -0.70 -4.99 121.76 116.06 3i4i s ALA 129 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3i4i s ALA 129 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3i4i s ALA 129 CO 0.00 -1.30 0.00 0.41 0.00 0.00 0.00 175.76 174.87 3i4i n GLY 130 N 4.64 0.83 3.79 0.00 0.00 -1.26 -1.83 105.19 111.35 3i4i n GLY 130 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3i4i n GLY 130 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4i n ASN 131 N 0.00 -2.56 -0.36 1.61 3.02 -1.26 -4.91 115.26 110.79 3i4i n ASN 131 Ca 0.00 -0.81 0.08 0.00 -0.03 0.00 0.00 54.58 53.82 3i4i n ASN 131 Cb 0.00 -3.98 0.17 0.00 -0.61 0.00 0.00 39.78 35.36 3i4i n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3i4i n HIS 132 N -4.44 0.00 -1.69 3.10 8.25 -1.26 -5.08 115.22 114.10 3i4i n HIS 132 Ca -0.17 -1.23 -0.44 0.00 -0.26 0.00 0.00 57.72 55.62 3i4i n HIS 132 Cb 0.62 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 3i4i n HIS 132 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i4i n GLU 133 N -1.23 2.17 -3.73 -0.41 4.71 -1.26 -4.46 120.64 116.42 3i4i n GLU 133 Ca 0.17 0.77 -0.14 0.00 -0.01 0.00 0.00 57.16 57.95 3i4i n GLU 133 Cb 0.67 -2.44 -0.15 0.00 -1.01 0.00 0.00 31.44 28.51 3i4i n GLU 133 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 3i4i s TYR 134 N -0.14 -0.15 -0.26 -0.32 5.04 -0.84 -5.00 117.35 115.68 3i4i s TYR 134 Ca 0.66 0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 55.70 3i4i s TYR 134 Cb -0.61 -0.14 -0.02 0.00 0.35 0.00 0.00 41.96 41.54 3i4i s TYR 134 CO 0.51 -0.18 0.08 0.42 -1.34 0.00 0.00 175.55 175.03 3i4i s ILE 135 N 1.41 4.29 -0.22 3.14 1.01 -1.26 -0.99 121.20 128.57 3i4i s ILE 135 Ca -0.06 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 3i4i s ILE 135 Cb -0.12 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 3i4i s ILE 135 CO -0.06 0.26 0.14 -0.47 0.00 0.00 0.00 174.94 174.82 3i4i s TYR 136 N 1.60 3.34 -0.14 3.97 6.14 0.47 -4.95 117.35 127.78 3i4i s TYR 136 Ca 0.06 0.24 -0.29 0.00 0.64 0.00 0.00 57.07 57.71 3i4i s TYR 136 Cb -0.16 -2.22 -0.02 0.00 0.42 0.00 0.00 41.96 39.98 3i4i s TYR 136 CO 0.04 0.14 1.23 0.34 0.64 0.00 0.00 175.55 177.93 3i4i s ASP 137 N 0.80 6.99 0.03 4.32 -1.08 -1.26 -1.02 116.67 125.45 3i4i s ASP 137 Ca 0.07 1.69 -0.04 0.00 -0.52 0.00 0.00 52.55 53.76 3i4i s ASP 137 Cb -0.13 -2.54 -0.28 0.00 -1.46 0.00 0.00 42.92 38.51 3i4i s ASP 137 CO 0.02 -0.71 0.98 -0.07 0.52 0.00 0.00 175.17 175.92 3i4i h LEU 138 N 9.30 0.42 0.65 -1.34 3.38 -0.64 -3.48 115.31 123.61 3i4i h LEU 138 Ca -0.28 -0.52 -0.27 0.00 0.09 0.00 0.00 57.88 56.90 3i4i h LEU 138 Cb 1.11 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.62 3i4i h LEU 138 CO 0.95 1.42 -0.25 -2.11 0.09 0.00 0.00 178.44 178.54 3i4i n ARG 139 N -3.50 -0.93 -4.02 1.13 -4.01 -1.24 -4.96 116.66 99.14 3i4i n ARG 139 Ca -0.13 0.96 -0.10 0.00 -1.04 0.00 0.00 57.85 57.54 3i4i n ARG 139 Cb 1.04 -5.03 -0.07 0.00 -3.04 0.00 0.00 32.46 25.36 3i4i n ARG 139 CO 0.00 0.00 0.00 -0.59 -3.04 0.00 0.00 177.63 174.00 3i4i s PHE 140 N -2.50 0.51 -0.45 2.89 -0.12 -1.26 -5.13 117.98 111.92 3i4i s PHE 140 Ca 0.00 -0.85 -0.18 0.00 -0.05 0.00 0.00 56.93 55.85 3i4i s PHE 140 Cb 0.00 -0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.42 3i4i s PHE 140 CO 0.00 -0.86 0.53 0.34 -0.05 0.00 0.00 175.22 175.18 3i4i s ASP 141 N -3.03 6.23 0.53 1.98 -1.08 -1.26 -4.09 116.67 115.94 3i4i s ASP 141 Ca 0.24 -0.72 0.25 0.00 -0.52 0.00 0.00 52.55 51.81 3i4i s ASP 141 Cb 0.02 -2.26 1.49 0.00 -1.46 0.00 0.00 42.92 40.70 3i4i s ASP 141 CO 0.07 -0.72 2.13 0.00 0.52 0.00 0.00 175.17 177.17 3i4i h ALA 142 N 8.84 1.48 0.00 3.66 0.00 -0.70 -1.22 119.26 131.33 3i4i h ALA 142 Ca -0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i4i h ALA 142 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i4i h ALA 142 CO 0.87 0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.89 3i4i h SER 143 N 0.00 0.00 1.05 0.00 4.64 -1.73 -3.32 113.55 114.19 3i4i h SER 143 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3i4i h SER 143 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3i4i h SER 143 CO 0.01 0.00 -0.99 -0.33 -0.87 0.00 0.00 176.83 174.65 3i4i h GLU 144 N 0.00 0.00 -3.60 4.77 5.08 -1.52 -3.46 114.58 115.85 3i4i h GLU 144 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3i4i h GLU 144 Cb 0.45 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 3i4i h GLU 144 CO 0.00 0.21 -0.18 -0.51 -1.00 0.00 0.00 179.01 177.54 3i4i s ASP 145 N -5.82 -0.09 0.28 1.42 1.01 -1.25 -5.14 116.67 107.08 3i4i s ASP 145 Ca -0.00 -0.60 -0.27 0.00 0.71 0.00 0.00 52.55 52.38 3i4i s ASP 145 Cb 0.08 0.47 -0.09 0.00 1.01 0.00 0.00 42.92 44.39 3i4i s ASP 145 CO 0.78 -0.90 0.92 -0.36 0.21 0.00 0.00 175.17 175.82 3i4i s PHE 146 N -3.89 3.81 0.19 4.23 0.08 -1.26 -4.56 117.98 116.58 3i4i s PHE 146 Ca 0.10 1.81 -0.01 0.00 0.12 0.00 0.00 56.93 58.95 3i4i s PHE 146 Cb 0.02 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 3i4i s PHE 146 CO -0.05 0.32 0.11 -1.01 -0.10 0.00 0.00 175.22 174.49 3i4i s HIS 147 N -1.43 1.15 -0.20 0.36 3.76 -0.90 -4.93 115.29 113.10 3i4i s HIS 147 Ca 0.46 -1.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.01 3i4i s HIS 147 Cb -0.21 -0.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.88 3i4i s HIS 147 CO 0.27 -0.58 -0.07 0.42 -0.85 0.00 0.00 174.74 173.93 3i4i s ILE 148 N -4.09 3.25 0.10 0.60 -1.09 -1.26 -1.71 121.20 117.01 3i4i s ILE 148 Ca 0.36 -0.54 0.09 0.00 -2.23 0.00 0.00 60.65 58.32 3i4i s ILE 148 Cb 0.07 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 3i4i s ILE 148 CO 0.10 0.45 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.77 3i4i s TYR 149 N 1.23 2.54 0.06 3.97 2.02 -0.40 0.19 117.35 126.95 3i4i s TYR 149 Ca 0.03 -0.26 -0.16 0.00 -0.37 0.00 0.00 57.07 56.30 3i4i s TYR 149 Cb -0.14 -1.36 0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3i4i s TYR 149 CO -0.02 0.36 0.37 0.00 -1.57 0.00 0.00 175.55 174.69 3i4i s ALA 150 N -1.11 -0.86 0.03 3.71 0.00 0.45 -0.77 121.76 123.21 3i4i s ALA 150 Ca 0.17 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.31 3i4i s ALA 150 Cb -0.11 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3i4i s ALA 150 CO 0.09 -0.47 -0.13 -0.59 0.00 0.00 0.00 175.76 174.66 3i4i s PHE 151 N -2.71 1.16 -0.28 0.00 -0.12 -0.65 -0.64 117.98 114.73 3i4i s PHE 151 Ca -0.04 -0.32 -0.08 0.00 -0.05 0.00 0.00 56.93 56.43 3i4i s PHE 151 Cb -0.00 -0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 41.67 3i4i s PHE 151 CO -0.04 0.02 0.11 1.21 -0.05 0.00 0.00 175.22 176.47 3i4i s ASN 152 N -0.97 5.32 -0.32 1.98 2.47 0.10 -1.00 114.94 122.53 3i4i s ASN 152 Ca 0.02 -0.44 -0.11 0.00 0.42 0.00 0.00 52.86 52.75 3i4i s ASN 152 Cb -0.07 -1.95 -0.02 0.00 -1.45 0.00 0.00 41.25 37.76 3i4i s ASN 152 CO 0.01 -0.13 0.20 0.86 -3.72 0.00 0.00 177.10 174.31 3i4i s TRP 153 N 1.59 3.21 0.36 0.43 -0.00 -0.12 -1.29 118.94 123.12 3i4i s TRP 153 Ca 0.05 -0.27 0.09 0.00 -0.00 0.00 0.00 56.10 55.97 3i4i s TRP 153 Cb -0.16 -2.42 -0.06 0.00 -0.00 0.00 0.00 33.47 30.83 3i4i s TRP 153 CO 0.05 -0.35 0.01 -0.65 -0.00 0.00 0.00 176.95 176.00 3i4i s GLN 154 N 1.69 2.02 0.26 5.86 -1.52 0.42 -1.35 119.66 127.04 3i4i s GLN 154 Ca 0.06 -1.86 -0.01 0.00 -1.95 0.00 0.00 55.36 51.59 3i4i s GLN 154 Cb -0.17 -1.84 0.54 0.00 -0.22 0.00 0.00 33.01 31.32 3i4i s GLN 154 CO 0.09 0.08 1.74 -1.35 -0.25 0.00 0.00 175.29 175.60 3i4i h PRO 155 N 1.81 0.50 -0.04 2.91 0.11 -1.98 -2.84 132.00 132.47 3i4i h PRO 155 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i4i h PRO 155 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i4i h PRO 155 CO 0.70 0.33 0.00 0.09 -0.21 0.00 0.00 178.00 178.91 3i4i n ASN 156 N -4.95 2.47 -3.59 -2.05 4.13 -1.26 -4.74 115.26 105.27 3i4i n ASN 156 Ca 0.17 -1.73 -0.07 0.00 1.68 0.00 0.00 54.58 54.63 3i4i n ASN 156 Cb 0.46 -0.01 -0.02 0.00 -1.54 0.00 0.00 39.78 38.68 3i4i n ASN 156 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 3i4i s TYR 157 N -1.43 -0.29 -0.11 3.10 -0.85 -1.07 -4.60 117.35 112.10 3i4i s TYR 157 Ca 0.21 0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.87 3i4i s TYR 157 Cb 0.15 0.58 0.00 0.00 0.38 0.00 0.00 41.96 43.07 3i4i s TYR 157 CO 0.22 -0.69 -0.22 0.42 -1.52 0.00 0.00 175.55 173.75 3i4i s ILE 158 N -3.27 1.98 -0.10 -3.49 1.01 -0.43 -0.43 121.20 116.47 3i4i s ILE 158 Ca 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 3i4i s ILE 158 Cb -0.01 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3i4i s ILE 158 CO -0.05 0.54 -0.01 0.00 0.00 0.00 0.00 174.94 175.42 3i4i s ALA 159 N 0.53 3.22 0.18 9.38 0.00 -0.41 -1.44 121.76 133.21 3i4i s ALA 159 Ca -0.15 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.08 3i4i s ALA 159 Cb -0.17 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 3i4i s ALA 159 CO 0.05 0.52 -0.04 -1.58 0.00 0.00 0.00 175.76 174.70 3i4i s TRP 160 N -0.64 2.75 -0.01 0.00 0.51 0.99 0.02 118.94 122.57 3i4i s TRP 160 Ca 0.10 -0.17 -0.09 0.00 -2.12 0.00 0.00 56.10 53.82 3i4i s TRP 160 Cb -0.12 -1.34 0.01 0.00 -0.81 0.00 0.00 33.47 31.21 3i4i s TRP 160 CO 0.02 0.52 0.19 -0.51 -0.51 0.00 0.00 176.95 176.66 3i4i s LEU 161 N -2.89 1.34 -0.05 2.99 1.02 0.18 -1.04 118.68 120.23 3i4i s LEU 161 Ca 0.26 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.35 3i4i s LEU 161 Cb -0.09 0.83 0.01 0.00 0.02 0.00 0.00 46.19 46.97 3i4i s LEU 161 CO 0.17 -0.37 -0.10 -0.69 0.02 0.00 0.00 176.35 175.38 3i4i s VAL 162 N -1.26 0.91 -1.53 -1.59 1.01 -0.26 -0.42 120.40 117.27 3i4i s VAL 162 Ca -0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3i4i s VAL 162 Cb -0.07 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3i4i s VAL 162 CO 0.02 0.30 0.24 0.47 0.00 0.00 0.00 175.10 176.13 3i4i n ASP 163 N 3.74 0.08 0.00 3.32 8.00 0.13 -1.80 116.55 130.02 3i4i n ASP 163 Ca -0.23 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3i4i n ASP 163 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 41.12 39.41 3i4i n ASP 163 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4i n GLY 164 N -2.21 2.55 3.45 0.44 0.00 -1.26 -5.02 105.19 103.14 3i4i n GLY 164 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3i4i n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i4i s GLU 165 N -0.13 2.89 0.19 1.61 0.41 -0.74 -5.07 118.70 117.87 3i4i s GLU 165 Ca 0.00 -0.67 -0.30 0.00 -0.41 0.00 0.00 54.97 53.59 3i4i s GLU 165 Cb 0.00 -2.51 -0.09 0.00 -1.78 0.00 0.00 34.13 29.75 3i4i s GLU 165 CO 0.00 0.46 1.32 -2.00 -0.49 0.00 0.00 175.26 174.55 3i4i s GLU 166 N -0.30 4.38 0.00 1.61 2.12 -1.26 -1.10 118.70 124.14 3i4i s GLU 166 Ca 0.03 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.42 3i4i s GLU 166 Cb -0.13 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3i4i s GLU 166 CO 0.03 -0.28 0.00 1.33 -0.54 0.00 0.00 175.26 175.80 3i4i n VAL 167 N 2.74 0.00 -3.62 3.70 0.24 -0.21 -4.95 118.33 116.23 3i4i n VAL 167 Ca 0.07 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 3i4i n VAL 167 Cb 0.43 0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 33.58 3i4i n VAL 167 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3i4i s TYR 168 N -0.64 -0.67 -0.00 6.34 5.04 -1.18 -5.01 117.35 121.22 3i4i s TYR 168 Ca 0.00 1.58 -0.01 0.00 -2.44 0.00 0.00 57.07 56.20 3i4i s TYR 168 Cb 0.00 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.63 3i4i s TYR 168 CO 0.00 -0.36 0.01 0.50 -1.34 0.00 0.00 175.55 174.36 3i4i s ARG 169 N 0.11 0.03 0.03 4.97 3.52 -1.26 -0.00 118.95 126.35 3i4i s ARG 169 Ca -0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 3i4i s ARG 169 Cb -0.04 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 3i4i s ARG 169 CO -0.00 -0.00 -0.07 0.00 -0.81 0.00 0.00 175.30 174.41 3i4i s ALA 170 N -0.06 0.56 0.00 6.12 0.00 -0.52 -5.00 121.76 122.87 3i4i s ALA 170 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3i4i s ALA 170 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3i4i s ALA 170 CO -0.00 0.04 0.00 0.66 0.00 0.00 0.00 175.76 176.46 3i4i n TYR 171 N 1.98 0.00 -2.66 0.00 4.01 -1.26 -1.32 117.16 117.92 3i4i n TYR 171 Ca -0.19 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.12 3i4i n TYR 171 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.57 3i4i n TYR 171 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i4i s ASP 172 N -1.85 7.12 -1.02 7.72 2.15 -1.26 -4.36 116.67 125.17 3i4i s ASP 172 Ca 0.00 1.43 -0.15 0.00 0.43 0.00 0.00 52.55 54.26 3i4i s ASP 172 Cb 0.00 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 40.08 3i4i s ASP 172 CO 0.00 -0.63 0.73 -0.67 -0.17 0.00 0.00 175.17 174.44 3i4i n ASP 173 N 6.04 -5.52 -4.77 -0.34 2.03 -1.26 -4.90 116.55 107.83 3i4i n ASP 173 Ca 0.11 -0.89 -0.39 0.00 0.52 0.00 0.00 54.79 54.15 3i4i n ASP 173 Cb 0.47 -3.18 -0.06 0.00 -0.72 0.00 0.00 41.12 37.62 3i4i n ASP 173 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3i4i s ILE 174 N -3.30 4.19 0.79 5.18 -1.09 -1.26 -4.70 121.20 121.01 3i4i s ILE 174 Ca 0.31 1.90 -0.15 0.00 -2.23 0.00 0.00 60.65 60.49 3i4i s ILE 174 Cb -0.12 -4.17 0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3i4i s ILE 174 CO 0.86 0.36 0.73 -2.65 -1.23 0.00 0.00 174.94 173.02 3i4i n PRO 175 N 1.14 0.17 0.00 2.79 -0.02 -1.26 -5.00 135.00 132.83 3i4i n PRO 175 Ca -0.01 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3i4i n PRO 175 Cb 0.48 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3i4i n PRO 175 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i4i n VAL 176 N -2.89 0.00 -3.74 -1.45 0.31 -1.26 -4.91 118.33 104.38 3i4i n VAL 176 Ca 0.11 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.07 3i4i n VAL 176 Cb 0.51 -0.45 -0.07 0.00 -0.91 0.00 0.00 33.84 32.92 3i4i n VAL 176 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3i4i s HIS 177 N -1.78 3.54 0.42 3.52 3.76 -1.26 -5.01 115.29 118.47 3i4i s HIS 177 Ca 0.00 0.53 -0.25 0.00 -0.15 0.00 0.00 55.06 55.19 3i4i s HIS 177 Cb 0.00 -2.10 -0.08 0.00 1.11 0.00 0.00 32.58 31.51 3i4i s HIS 177 CO 0.00 0.52 1.26 -1.25 -0.85 0.00 0.00 174.74 174.42 3i4i s PRO 178 N -0.39 3.92 0.24 8.40 0.04 -1.26 -4.78 135.00 141.16 3i4i s PRO 178 Ca 0.14 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.25 3i4i s PRO 178 Cb -0.12 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 3i4i s PRO 178 CO 0.03 -0.50 0.02 0.20 0.04 0.00 0.00 177.00 176.80 3i4i s GLY 179 N -0.92 1.62 0.48 0.56 0.00 -0.92 -4.58 107.32 103.57 3i4i s GLY 179 Ca 0.58 -1.80 -0.17 0.00 0.00 0.00 0.00 44.72 43.33 3i4i s GLY 179 CO 0.45 -1.66 0.96 0.54 0.00 0.00 0.00 173.10 173.38 3i4i s LYS 180 N -3.90 4.01 -0.04 2.90 1.02 0.11 0.19 119.74 124.03 3i4i s LYS 180 Ca 0.31 0.96 -0.24 0.00 0.02 0.00 0.00 55.97 57.01 3i4i s LYS 180 Cb 0.06 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 3i4i s LYS 180 CO 0.10 -0.19 0.72 0.42 -0.92 0.00 0.00 175.35 175.48 3i4i s ILE 181 N -2.48 4.98 -0.02 2.17 1.01 -1.26 -1.01 121.20 124.58 3i4i s ILE 181 Ca 0.59 1.50 0.03 0.00 0.00 0.00 0.00 60.65 62.77 3i4i s ILE 181 Cb -0.10 -4.06 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 3i4i s ILE 181 CO 0.27 0.27 -0.10 -0.04 0.00 0.00 0.00 174.94 175.34 3i4i s MET 182 N 0.61 1.01 -0.08 2.79 -1.94 0.72 -1.13 119.30 121.29 3i4i s MET 182 Ca 0.38 -0.36 0.04 0.00 -1.71 0.00 0.00 55.69 54.04 3i4i s MET 182 Cb -0.18 -0.94 -0.01 0.00 2.01 0.00 0.00 34.83 35.70 3i4i s MET 182 CO 0.19 0.17 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.65 3i4i s LEU 183 N 0.02 2.31 0.16 -0.03 1.02 0.68 -1.46 118.68 121.37 3i4i s LEU 183 Ca -0.01 -0.43 -0.11 0.00 0.02 0.00 0.00 54.13 53.61 3i4i s LEU 183 Cb -0.07 -1.45 0.00 0.00 0.02 0.00 0.00 46.19 44.68 3i4i s LEU 183 CO 0.00 0.23 0.32 0.54 0.02 0.00 0.00 176.35 177.46 3i4i s ASN 184 N -0.09 -0.01 -0.04 2.29 2.20 -1.15 0.72 114.94 118.86 3i4i s ASN 184 Ca -0.05 -0.74 -0.03 0.00 -0.94 0.00 0.00 52.86 51.11 3i4i s ASN 184 Cb -0.14 0.45 0.02 0.00 -2.00 0.00 0.00 41.25 39.58 3i4i s ASN 184 CO 0.04 -0.89 0.11 -0.51 -2.94 0.00 0.00 177.10 172.91 3i4i s ILE 185 N -3.92 -0.02 -0.01 0.54 2.07 -0.72 -0.71 121.20 118.42 3i4i s ILE 185 Ca 0.13 0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 59.18 3i4i s ILE 185 Cb 0.03 -0.17 0.06 0.00 0.13 0.00 0.00 42.46 42.51 3i4i s ILE 185 CO -0.03 0.03 0.61 -1.66 -1.91 0.00 0.00 174.94 171.98 3i4i s TRP 186 N 0.51 -0.56 -0.07 3.50 1.48 -0.79 -2.83 118.94 120.18 3i4i s TRP 186 Ca -0.04 0.87 -0.12 0.00 -1.06 0.00 0.00 56.10 55.75 3i4i s TRP 186 Cb -0.05 0.38 -0.05 0.00 -1.16 0.00 0.00 33.47 32.59 3i4i s TRP 186 CO -0.02 -0.61 0.30 -1.25 -4.06 0.00 0.00 176.95 171.30 3i4i s PRO 187 N -1.61 3.84 0.43 3.25 0.04 -1.26 -0.87 135.00 138.82 3i4i s PRO 187 Ca -0.09 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.12 3i4i s PRO 187 Cb -0.01 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 3i4i s PRO 187 CO 0.06 0.61 0.65 0.20 0.04 0.00 0.00 177.00 178.56 3i4i s GLY 188 N -0.70 1.54 -0.06 0.56 0.00 0.10 -1.29 107.32 107.46 3i4i s GLY 188 Ca 0.19 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 3i4i s GLY 188 CO 0.08 -0.89 0.23 -1.50 0.00 0.00 0.00 173.10 171.02 3i4i s ILE 189 N -2.51 0.02 -0.60 0.90 2.07 -0.70 -4.49 121.20 115.88 3i4i s ILE 189 Ca 0.47 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 3i4i s ILE 189 Cb -0.10 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.10 3i4i s ILE 189 CO 0.37 -0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.91 3i4i n GLY 190 N 2.45 0.77 2.58 1.50 0.00 -1.26 -4.50 105.19 106.72 3i4i n GLY 190 Ca -0.16 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 3i4i n GLY 190 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i4i n VAL 191 N -2.64 1.56 0.14 1.61 0.24 -1.26 -4.90 118.33 113.09 3i4i n VAL 191 Ca -0.06 -3.69 0.02 0.00 -2.04 0.00 0.00 64.34 58.58 3i4i n VAL 191 Cb 0.29 0.04 0.39 0.00 -1.47 0.00 0.00 33.84 33.08 3i4i n VAL 191 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3i4i h ASP 192 N 2.75 0.15 -0.74 -1.34 5.19 -1.90 -1.55 116.42 118.98 3i4i h ASP 192 Ca 0.05 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 3i4i h ASP 192 Cb 1.15 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 3i4i h ASP 192 CO 0.58 0.37 0.24 -0.33 -3.12 0.00 0.00 179.24 176.98 3i4i h GLU 193 N 0.15 1.15 0.02 3.56 3.07 -1.90 0.29 114.58 120.91 3i4i h GLU 193 Ca 0.03 -0.24 -0.14 0.00 -0.50 0.00 0.00 59.36 58.51 3i4i h GLU 193 Cb 0.45 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3i4i h GLU 193 CO 0.03 0.97 -0.72 2.35 -1.40 0.00 0.00 179.01 180.24 3i4i h TRP 194 N 1.10 0.09 0.00 4.33 7.01 -1.83 -3.40 115.95 123.25 3i4i h TRP 194 Ca 0.24 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.17 3i4i h TRP 194 Cb 0.29 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 3i4i h TRP 194 CO 0.02 1.28 -1.77 1.28 -2.79 0.00 0.00 178.44 176.47 3i4i n LEU 195 N -4.42 0.22 -0.22 0.65 4.32 -0.64 -5.01 117.00 111.91 3i4i n LEU 195 Ca -0.21 -0.10 0.03 0.00 -0.02 0.00 0.00 56.01 55.71 3i4i n LEU 195 Cb 0.63 -0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.42 3i4i n LEU 195 CO 0.30 0.05 -0.10 0.61 -1.22 0.00 0.00 177.39 177.03 3i4i n GLY 196 N 1.31 -2.71 3.71 -0.72 0.00 0.09 -0.77 105.19 106.11 3i4i n GLY 196 Ca -0.02 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3i4i n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4i s ALA 197 N -3.15 3.61 0.46 4.61 0.00 -1.26 -3.72 121.76 122.31 3i4i s ALA 197 Ca 0.00 1.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.84 3i4i s ALA 197 Cb 0.00 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 3i4i s ALA 197 CO 0.00 -0.68 1.22 -0.47 0.00 0.00 0.00 175.76 175.83 3i4i s TYR 198 N 1.32 2.79 -0.14 0.00 5.04 -1.26 -4.02 117.35 121.07 3i4i s TYR 198 Ca 0.65 1.49 0.18 0.00 -2.44 0.00 0.00 57.07 56.95 3i4i s TYR 198 Cb -0.37 -3.51 0.34 0.00 0.35 0.00 0.00 41.96 38.77 3i4i s TYR 198 CO 0.30 -1.83 1.21 -0.40 -1.34 0.00 0.00 175.55 173.48 3i4i n ASP 199 N -0.40 2.68 0.00 4.32 5.68 -1.26 -4.96 116.55 122.61 3i4i n ASP 199 Ca 0.07 -3.04 0.00 0.00 -0.50 0.00 0.00 54.79 51.32 3i4i n ASP 199 Cb 0.46 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3i4i n ASP 199 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i4i n GLY 200 N -1.20 0.23 3.69 6.12 0.00 -1.26 -4.94 105.19 107.83 3i4i n GLY 200 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3i4i n GLY 200 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i4i n LYS 201 N -0.81 2.38 -3.16 1.61 3.00 -1.26 -4.92 118.16 115.00 3i4i n LYS 201 Ca 0.00 0.86 -0.33 0.00 -0.00 0.00 0.00 58.31 58.84 3i4i n LYS 201 Cb 0.27 -2.63 -0.06 0.00 0.00 0.00 0.00 35.03 32.61 3i4i n LYS 201 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3i4i s THR 202 N 0.74 4.69 -1.21 3.15 -1.32 -1.26 -4.42 115.64 116.02 3i4i s THR 202 Ca 0.74 0.92 -0.20 0.00 -1.21 0.00 0.00 61.69 61.95 3i4i s THR 202 Cb -0.60 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 3i4i s THR 202 CO 0.39 -0.17 0.68 -0.46 -2.21 0.00 0.00 174.62 172.86 3i4i n ASN 203 N -0.32 -4.00 -4.78 8.08 2.04 -0.94 -4.98 115.26 110.36 3i4i n ASN 203 Ca 0.03 -1.08 -0.39 0.00 -0.44 0.00 0.00 54.58 52.70 3i4i n ASN 203 Cb 0.53 -2.92 -0.06 0.00 -2.53 0.00 0.00 39.78 34.80 3i4i n ASN 203 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3i4i s LEU 204 N -6.79 4.57 -0.05 -4.53 1.43 -1.09 -4.92 118.68 107.29 3i4i s LEU 204 Ca 0.38 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 3i4i s LEU 204 Cb -0.16 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 42.91 3i4i s LEU 204 CO 0.89 0.22 -0.06 -0.89 0.23 0.00 0.00 176.35 176.75 3i4i s THR 205 N -1.08 0.63 -0.14 5.49 2.01 -1.26 -1.31 115.64 119.98 3i4i s THR 205 Ca 0.34 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 3i4i s THR 205 Cb -0.22 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 3i4i s THR 205 CO 0.24 0.24 0.05 0.00 -0.69 0.00 0.00 174.62 174.46 3i4i s ALA 206 N 0.87 3.42 0.12 7.40 0.00 0.11 -3.85 121.76 129.83 3i4i s ALA 206 Ca -0.12 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 51.20 3i4i s ALA 206 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3i4i s ALA 206 CO 0.01 0.37 -0.25 -1.12 0.00 0.00 0.00 175.76 174.76 3i4i s SER 207 N -0.21 3.43 -0.05 0.00 0.01 -0.23 -1.08 113.70 115.57 3i4i s SER 207 Ca 0.07 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.61 3i4i s SER 207 Cb -0.12 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.85 3i4i s SER 207 CO 0.02 0.18 0.04 -0.31 0.41 0.00 0.00 173.24 173.58 3i4i s TYR 208 N -1.06 0.24 -0.08 2.43 1.51 -0.21 0.73 117.35 120.91 3i4i s TYR 208 Ca 0.15 0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 56.18 3i4i s TYR 208 Cb -0.10 -0.56 -0.29 0.00 -0.11 0.00 0.00 41.96 40.90 3i4i s TYR 208 CO 0.07 -0.22 0.63 0.22 -1.11 0.00 0.00 175.55 175.13 3i4i h ASP 209 N 8.32 0.47 -5.01 2.29 3.58 0.90 -0.80 116.42 126.16 3i4i h ASP 209 Ca -0.17 -0.89 0.09 0.00 0.42 0.00 0.00 57.03 56.48 3i4i h ASP 209 Cb 1.12 -0.15 -0.10 0.00 1.72 0.00 0.00 39.33 41.92 3i4i h ASP 209 CO 0.21 1.65 0.36 -1.66 -2.88 0.00 0.00 179.24 176.92 3i4i s TRP 210 N -2.50 -0.29 0.05 0.28 1.48 -1.15 -4.45 118.94 112.35 3i4i s TRP 210 Ca -0.18 0.01 0.04 0.00 -1.06 0.00 0.00 56.10 54.90 3i4i s TRP 210 Cb 0.04 0.62 -0.03 0.00 -1.16 0.00 0.00 33.47 32.94 3i4i s TRP 210 CO 0.80 -0.87 -0.11 0.08 -4.06 0.00 0.00 176.95 172.79 3i4i s VAL 211 N -3.51 0.81 -0.01 -0.66 1.01 -0.75 -1.01 120.40 116.27 3i4i s VAL 211 Ca 0.08 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 3i4i s VAL 211 Cb -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3i4i s VAL 211 CO -0.03 -0.29 0.17 0.00 0.00 0.00 0.00 175.10 174.96 3i4i s ALA 212 N -1.28 -0.42 -0.03 5.51 0.00 -0.01 -1.91 121.76 123.61 3i4i s ALA 212 Ca -0.06 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.91 3i4i s ALA 212 Cb -0.10 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3i4i s ALA 212 CO 0.01 -0.21 -0.06 -0.47 0.00 0.00 0.00 175.76 175.03 3i4i s TYR 213 N -1.28 0.75 -0.09 0.00 5.04 -0.25 -0.45 117.35 121.08 3i4i s TYR 213 Ca -0.14 -0.19 -0.00 0.00 -2.44 0.00 0.00 57.07 54.30 3i4i s TYR 213 Cb -0.07 -0.60 0.02 0.00 0.35 0.00 0.00 41.96 41.67 3i4i s TYR 213 CO 0.02 -0.13 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.54 3i4i s ASP 214 N 0.51 1.85 -0.36 4.32 1.01 -0.27 -1.02 116.67 122.71 3i4i s ASP 214 Ca -0.07 -0.21 -0.28 0.00 0.71 0.00 0.00 52.55 52.69 3i4i s ASP 214 Cb -0.11 -0.67 -0.01 0.00 1.01 0.00 0.00 42.92 43.14 3i4i s ASP 214 CO 0.00 -0.13 1.73 -2.16 0.21 0.00 0.00 175.17 174.82 3i4i s PRO 215 N 1.67 3.33 0.00 8.23 0.05 -1.26 -0.62 135.00 146.41 3i4i s PRO 215 Ca 0.02 1.28 0.00 0.00 0.05 0.00 0.00 61.00 62.35 3i4i s PRO 215 Cb -0.13 -4.18 0.00 0.00 0.05 0.00 0.00 34.50 30.24 3i4i s PRO 215 CO -0.06 -1.86 0.20 0.44 0.05 0.00 0.00 177.00 175.77