#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksu s TYR 4 N 0.00 3.49 -0.01 2.13 2.02 -1.26 -4.96 117.35 118.76 3ksu s TYR 4 Ca 0.00 1.40 -0.11 0.00 -0.37 0.00 0.00 57.07 57.99 3ksu s TYR 4 Cb 0.00 -3.36 -0.06 0.00 -0.40 0.00 0.00 41.96 38.13 3ksu s TYR 4 CO 0.00 -1.02 0.70 0.45 -1.57 0.00 0.00 175.55 174.12 3ksu h HIS 5 N 6.40 -0.38 -2.67 2.71 3.86 -1.99 -3.49 115.15 119.60 3ksu h HIS 5 Ca -0.42 -0.01 -0.50 0.00 -1.16 0.00 0.00 60.37 58.28 3ksu h HIS 5 Cb 1.21 0.12 -0.14 0.00 1.06 0.00 0.00 27.41 29.67 3ksu h HIS 5 CO 0.66 -0.23 -0.59 -0.51 0.86 0.00 0.00 177.93 178.12 3ksu s ASP 6 N -3.71 2.56 0.00 2.45 1.01 -1.26 -5.01 116.67 112.71 3ksu s ASP 6 Ca -0.06 -1.45 0.23 0.00 0.71 0.00 0.00 52.55 51.99 3ksu s ASP 6 Cb 0.01 0.04 0.43 0.00 1.01 0.00 0.00 42.92 44.41 3ksu s ASP 6 CO 0.18 -0.67 1.40 0.18 0.21 0.00 0.00 175.17 176.46 3ksu n LEU 7 N -0.76 3.20 -4.77 1.23 4.77 -1.26 -5.00 117.00 114.41 3ksu n LEU 7 Ca -0.04 -1.32 -0.40 0.00 -0.03 0.00 0.00 56.01 54.22 3ksu n LEU 7 Cb 0.66 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3ksu n LEU 7 CO 0.41 0.66 0.95 -0.54 -1.33 0.00 0.00 177.39 177.55 3ksu s LYS 8 N -1.62 4.23 0.00 3.23 -0.14 -1.26 -3.29 119.74 120.89 3ksu s LYS 8 Ca 0.36 2.15 0.00 0.00 -1.36 0.00 0.00 55.97 57.12 3ksu s LYS 8 Cb 0.22 -2.95 0.00 0.00 -1.68 0.00 0.00 37.83 33.42 3ksu s LYS 8 CO 0.31 -0.27 0.00 0.09 -0.76 0.00 0.00 175.35 174.72 3ksu n ASN 9 N 0.56 -4.90 -4.83 2.83 3.02 -0.62 -4.99 115.26 106.33 3ksu n ASN 9 Ca 0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.22 3ksu n ASN 9 Cb 0.43 -2.45 -0.06 0.00 -0.61 0.00 0.00 39.78 37.09 3ksu n ASN 9 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ksu s LYS 10 N -1.30 4.13 -0.29 3.52 1.02 -1.21 -4.75 119.74 120.87 3ksu s LYS 10 Ca 0.00 0.76 -0.11 0.00 0.02 0.00 0.00 55.97 56.64 3ksu s LYS 10 Cb 0.00 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 3ksu s LYS 10 CO 0.00 0.30 0.18 0.08 -0.92 0.00 0.00 175.35 174.99 3ksu s VAL 11 N -1.71 5.14 -0.12 3.17 1.01 -1.26 -0.59 120.40 126.04 3ksu s VAL 11 Ca 0.47 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3ksu s VAL 11 Cb -0.14 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3ksu s VAL 11 CO 0.19 0.21 -0.16 -0.63 0.00 0.00 0.00 175.10 174.72 3ksu s ILE 12 N 1.73 1.56 -0.22 2.22 1.01 0.04 -0.05 121.20 127.49 3ksu s ILE 12 Ca 0.07 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 3ksu s ILE 12 Cb -0.16 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3ksu s ILE 12 CO 0.10 0.45 0.06 -0.69 0.00 0.00 0.00 174.94 174.86 3ksu s VAL 13 N 1.07 4.45 -0.23 2.92 1.01 0.37 -0.47 120.40 129.52 3ksu s VAL 13 Ca -0.04 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3ksu s VAL 13 Cb -0.15 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.23 3ksu s VAL 13 CO -0.03 0.38 -0.14 -0.63 0.00 0.00 0.00 175.10 174.68 3ksu s ILE 14 N 1.16 2.22 -0.04 2.22 1.01 0.23 0.01 121.20 128.02 3ksu s ILE 14 Ca 0.04 -1.27 -0.29 0.00 0.00 0.00 0.00 60.65 59.14 3ksu s ILE 14 Cb -0.14 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 3ksu s ILE 14 CO 0.03 0.24 0.94 0.00 0.00 0.00 0.00 174.94 176.15 3ksu s ALA 15 N 1.21 3.24 -0.81 9.38 0.00 -0.02 -0.74 121.76 134.02 3ksu s ALA 15 Ca -0.02 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 3ksu s ALA 15 Cb -0.17 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3ksu s ALA 15 CO -0.08 -0.31 0.70 0.41 0.00 0.00 0.00 175.76 176.48 3ksu n GLY 16 N 2.99 -0.48 0.92 0.00 0.00 -0.90 -2.72 105.19 104.99 3ksu n GLY 16 Ca 0.06 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.42 3ksu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksu n GLY 17 N -1.24 0.96 0.00 -0.02 0.00 0.51 -3.79 105.19 101.61 3ksu n GLY 17 Ca -0.10 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.34 3ksu n GLY 17 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ksu n ILE 18 N 1.27 0.00 -4.33 -0.61 -5.35 -1.26 -2.40 119.36 106.68 3ksu n ILE 18 Ca 0.14 -0.26 -0.17 0.00 -0.27 0.00 0.00 62.75 62.18 3ksu n ILE 18 Cb 0.56 0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 38.84 3ksu n ILE 18 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3ksu s LYS 19 N -2.66 1.29 5.37 6.28 -2.85 -1.26 -4.56 119.74 121.34 3ksu s LYS 19 Ca -0.01 -1.60 0.00 0.00 -1.00 0.00 0.00 55.97 53.36 3ksu s LYS 19 Cb 0.09 -0.88 0.00 0.00 -2.06 0.00 0.00 37.83 34.98 3ksu s LYS 19 CO 0.54 0.07 0.00 0.09 0.10 0.00 0.00 175.35 176.15 3ksu n ASN 20 N -0.37 0.00 -0.27 0.03 3.02 -1.26 -2.69 115.26 113.73 3ksu n ASN 20 Ca -0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.42 3ksu n ASN 20 Cb 0.62 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.84 3ksu n ASN 20 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3ksu h LEU 21 N 0.00 0.90 -0.65 3.41 5.85 -1.93 -2.60 115.31 120.28 3ksu h LEU 21 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3ksu h LEU 21 Cb 0.00 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3ksu h LEU 21 CO 0.00 0.71 0.41 1.23 -0.34 0.00 0.00 178.44 180.46 3ksu h GLY 22 N 1.01 0.93 0.97 3.75 0.00 -1.60 0.25 103.07 108.37 3ksu h GLY 22 Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3ksu h GLY 22 CO -0.05 0.36 0.22 0.00 0.00 0.00 0.00 176.54 177.07 3ksu h ALA 23 N 1.22 0.53 -0.63 3.60 0.00 -1.33 0.21 119.26 122.85 3ksu h ALA 23 Ca 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ksu h ALA 23 Cb -0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3ksu h ALA 23 CO -0.05 0.07 0.22 1.25 0.00 0.00 0.00 179.25 180.74 3ksu h LEU 24 N 0.54 0.91 -0.26 0.00 5.85 -1.19 -1.02 115.31 120.13 3ksu h LEU 24 Ca 0.14 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3ksu h LEU 24 Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3ksu h LEU 24 CO -0.02 0.86 0.15 0.74 -0.34 0.00 0.00 178.44 179.83 3ksu h THR 25 N 0.90 1.03 -0.53 1.05 2.02 -0.32 -1.16 112.91 115.91 3ksu h THR 25 Ca 0.21 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.34 3ksu h THR 25 Cb 0.26 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3ksu h THR 25 CO -0.01 0.06 0.23 0.00 0.37 0.00 0.00 175.52 176.17 3ksu h ALA 26 N 1.11 0.67 -0.18 6.16 0.00 -0.70 -1.56 119.26 124.76 3ksu h ALA 26 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3ksu h ALA 26 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ksu h ALA 26 CO -0.04 -0.14 -0.13 0.87 0.00 0.00 0.00 179.25 179.81 3ksu h LYS 27 N 0.45 0.29 -0.24 0.00 1.57 -0.91 -1.51 116.57 116.22 3ksu h LYS 27 Ca 0.25 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3ksu h LYS 27 Cb 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3ksu h LYS 27 CO -0.21 0.43 -0.34 1.15 -0.57 0.00 0.00 179.45 179.91 3ksu h THR 28 N 0.28 1.31 -0.23 -0.16 2.02 -0.67 -3.25 112.91 112.20 3ksu h THR 28 Ca 0.06 -1.54 -0.15 0.00 0.77 0.00 0.00 66.41 65.55 3ksu h THR 28 Cb 0.40 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 3ksu h THR 28 CO 0.02 0.48 -0.46 -0.26 0.37 0.00 0.00 175.52 175.67 3ksu h PHE 29 N 0.36 0.73 0.00 3.16 0.04 -1.16 -3.24 116.94 116.84 3ksu h PHE 29 Ca 0.02 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.56 3ksu h PHE 29 Cb 0.93 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.93 3ksu h PHE 29 CO 0.08 0.96 0.00 0.00 -0.60 0.00 0.00 178.31 178.75 3ksu n ALA 30 N -2.52 2.04 0.19 2.45 0.00 -0.58 -2.60 120.51 119.49 3ksu n ALA 30 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.46 3ksu n ALA 30 Cb 0.56 -1.02 0.36 0.00 0.00 0.00 0.00 19.45 19.35 3ksu n ALA 30 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ksu h LEU 31 N 0.00 0.00 -9.99 0.00 3.38 -1.67 -3.42 115.31 103.61 3ksu h LEU 31 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3ksu h LEU 31 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3ksu h LEU 31 CO 0.00 0.38 -0.46 -1.61 0.09 0.00 0.00 178.44 176.84 3ksu s GLU 32 N -3.79 2.44 -1.34 1.13 2.02 -1.07 -5.04 118.70 113.05 3ksu s GLU 32 Ca -0.01 -1.58 -0.16 0.00 0.02 0.00 0.00 54.97 53.24 3ksu s GLU 32 Cb 0.12 -2.24 0.08 0.00 0.10 0.00 0.00 34.13 32.19 3ksu s GLU 32 CO 0.69 -0.05 1.86 0.43 0.02 0.00 0.00 175.26 178.21 3ksu n SER 33 N -1.34 4.66 -4.95 -0.19 7.64 -1.26 -4.69 113.62 113.49 3ksu n SER 33 Ca -0.00 -2.92 -0.24 0.00 1.01 0.00 0.00 58.87 56.73 3ksu n SER 33 Cb 0.62 -1.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.12 3ksu n SER 33 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3ksu s VAL 34 N 3.37 5.19 -0.37 0.44 -7.23 -1.26 -1.59 120.40 118.95 3ksu s VAL 34 Ca 0.50 -0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 59.92 3ksu s VAL 34 Cb 0.07 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 33.20 3ksu s VAL 34 CO 0.02 -0.38 0.20 0.20 -0.31 0.00 0.00 175.10 174.83 3ksu s ASN 35 N -3.81 5.73 -0.16 4.85 0.01 0.25 -1.71 114.94 120.10 3ksu s ASN 35 Ca 0.37 -0.92 -0.05 0.00 -0.71 0.00 0.00 52.86 51.54 3ksu s ASN 35 Cb -0.10 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 3ksu s ASN 35 CO 0.32 -0.36 0.02 -0.76 -1.51 0.00 0.00 177.10 174.81 3ksu s LEU 36 N 1.57 3.62 -0.28 0.60 1.43 0.91 -0.78 118.68 125.74 3ksu s LEU 36 Ca 0.02 0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3ksu s LEU 36 Cb -0.19 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3ksu s LEU 36 CO 0.07 0.21 0.04 -0.69 0.23 0.00 0.00 176.35 176.20 3ksu s VAL 37 N 0.13 3.59 -0.35 -1.59 1.01 0.38 -0.92 120.40 122.65 3ksu s VAL 37 Ca 0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3ksu s VAL 37 Cb -0.13 -2.86 0.06 0.00 0.00 0.00 0.00 36.38 33.46 3ksu s VAL 37 CO 0.01 0.10 0.12 -0.76 0.00 0.00 0.00 175.10 174.57 3ksu s LEU 38 N 1.43 4.53 0.29 3.92 1.43 -0.61 -0.60 118.68 129.07 3ksu s LEU 38 Ca 0.01 -1.43 -0.28 0.00 -1.03 0.00 0.00 54.13 51.40 3ksu s LEU 38 Cb -0.17 -1.83 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 3ksu s LEU 38 CO 0.00 -0.39 0.98 -2.28 0.23 0.00 0.00 176.35 174.90 3ksu s HIS 39 N 1.30 3.74 0.02 0.29 5.65 0.08 -2.50 115.29 123.88 3ksu s HIS 39 Ca 0.00 1.81 0.02 0.00 0.25 0.00 0.00 55.06 57.14 3ksu s HIS 39 Cb -0.21 -3.03 -0.02 0.00 -1.18 0.00 0.00 32.58 28.14 3ksu s HIS 39 CO 0.00 0.07 -0.07 1.52 -0.65 0.00 0.00 174.74 175.62 3ksu s TYR 40 N -1.37 0.57 0.07 3.88 1.13 -0.83 -0.36 117.35 120.44 3ksu s TYR 40 Ca 0.46 -0.33 -0.15 0.00 -1.41 0.00 0.00 57.07 55.64 3ksu s TYR 40 Cb -0.24 -0.35 -0.18 0.00 -1.10 0.00 0.00 41.96 40.08 3ksu s TYR 40 CO 0.30 -0.05 1.24 0.45 -2.51 0.00 0.00 175.55 174.99 3ksu h HIS 41 N 5.13 0.91 -3.35 -3.49 3.86 -1.89 -2.16 115.15 114.16 3ksu h HIS 41 Ca -0.32 -0.42 -0.65 0.00 -1.16 0.00 0.00 60.37 57.82 3ksu h HIS 41 Cb 1.20 -0.13 -0.24 0.00 1.06 0.00 0.00 27.41 29.30 3ksu h HIS 41 CO 0.55 1.23 -0.72 -0.65 0.86 0.00 0.00 177.93 179.20 3ksu s GLN 42 N -3.62 3.44 0.54 2.45 -0.21 -1.26 -4.13 119.66 116.87 3ksu s GLN 42 Ca -0.11 -0.61 0.22 0.00 0.02 0.00 0.00 55.36 54.88 3ksu s GLN 42 Cb 0.07 -2.74 1.45 0.00 1.00 0.00 0.00 33.01 32.79 3ksu s GLN 42 CO 0.87 0.27 2.16 0.00 -2.12 0.00 0.00 175.29 176.47 3ksu h ALA 43 N 6.57 1.72 0.00 6.09 0.00 -1.97 -1.97 119.26 129.70 3ksu h ALA 43 Ca -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ksu h ALA 43 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ksu h ALA 43 CO 0.58 0.04 0.00 0.36 0.00 0.00 0.00 179.25 180.24 3ksu n LYS 44 N -4.18 0.07 -0.71 0.00 2.85 -1.26 -2.71 118.16 112.22 3ksu n LYS 44 Ca -0.03 0.27 0.07 0.00 -1.05 0.00 0.00 58.31 57.57 3ksu n LYS 44 Cb 0.12 -1.62 0.35 0.00 -0.65 0.00 0.00 35.03 33.22 3ksu n LYS 44 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ksu n ASP 45 N -1.76 4.87 -0.05 -5.58 8.00 -0.74 -4.55 116.55 116.75 3ksu n ASP 45 Ca 0.04 -2.67 -0.08 0.00 0.71 0.00 0.00 54.79 52.79 3ksu n ASP 45 Cb 0.22 -0.62 0.09 0.00 -0.02 0.00 0.00 41.12 40.78 3ksu n ASP 45 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3ksu h SER 46 N 3.59 0.71 1.01 -2.24 4.64 -1.68 -0.96 113.55 118.62 3ksu h SER 46 Ca 0.00 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 60.93 3ksu h SER 46 Cb 1.63 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 3ksu h SER 46 CO 0.35 0.99 -0.43 0.44 -0.87 0.00 0.00 176.83 177.31 3ksu h ASP 47 N 0.57 0.00 -0.28 4.97 3.32 -1.86 0.86 116.42 124.00 3ksu h ASP 47 Ca 0.06 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 3ksu h ASP 47 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3ksu h ASP 47 CO 0.07 0.43 -0.48 0.74 -1.72 0.00 0.00 179.24 178.28 3ksu h THR 48 N 0.00 1.29 -0.33 0.35 2.02 -1.85 -2.50 112.91 111.89 3ksu h THR 48 Ca -0.00 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 65.48 3ksu h THR 48 Cb 1.06 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 3ksu h THR 48 CO 0.06 0.54 0.13 0.00 0.37 0.00 0.00 175.52 176.62 3ksu h ALA 49 N 0.67 0.43 -0.13 6.16 0.00 -0.81 -1.27 119.26 124.31 3ksu h ALA 49 Ca 0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3ksu h ALA 49 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ksu h ALA 49 CO 0.11 0.03 -0.30 -0.91 0.00 0.00 0.00 179.25 178.18 3ksu h ASN 50 N 0.39 0.24 -0.18 0.00 2.35 -0.92 0.25 115.58 117.70 3ksu h ASN 50 Ca 0.11 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3ksu h ASN 50 Cb 0.19 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3ksu h ASN 50 CO -0.01 0.53 0.03 0.50 -1.65 0.00 0.00 177.43 176.84 3ksu h LYS 51 N 0.21 0.31 -0.61 0.81 3.64 -1.24 -0.76 116.57 118.93 3ksu h LYS 51 Ca 0.03 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3ksu h LYS 51 Cb 0.64 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3ksu h LYS 51 CO 0.05 0.47 0.02 1.25 -2.27 0.00 0.00 179.45 178.96 3ksu h LEU 52 N 0.10 1.04 -0.39 5.20 5.85 -1.05 -2.12 115.31 123.93 3ksu h LEU 52 Ca 0.06 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3ksu h LEU 52 Cb 0.31 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3ksu h LEU 52 CO 0.00 1.07 0.20 0.50 -0.34 0.00 0.00 178.44 179.88 3ksu h LYS 53 N 0.98 0.40 -0.31 1.25 3.64 -0.89 -0.86 116.57 120.78 3ksu h LYS 53 Ca 0.18 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3ksu h LYS 53 Cb 0.53 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 3ksu h LYS 53 CO 0.03 0.27 0.05 -0.44 -2.27 0.00 0.00 179.45 177.09 3ksu h ASP 54 N 0.41 -0.01 0.86 4.20 3.45 -0.92 -0.61 116.42 123.80 3ksu h ASP 54 Ca 0.16 0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.59 3ksu h ASP 54 Cb 0.06 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3ksu h ASP 54 CO -0.11 0.03 -0.39 1.05 -1.57 0.00 0.00 179.24 178.26 3ksu h GLU 55 N 0.16 0.00 0.01 3.56 4.11 -1.14 -2.43 114.58 118.85 3ksu h GLU 55 Ca 0.15 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.36 3ksu h GLU 55 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3ksu h GLU 55 CO -0.20 0.39 -0.99 -0.07 0.07 0.00 0.00 179.01 178.21 3ksu h LEU 56 N 0.00 0.05 -1.19 3.06 3.38 -0.92 -3.11 115.31 116.58 3ksu h LEU 56 Ca -0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3ksu h LEU 56 Cb 0.93 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3ksu h LEU 56 CO 0.05 1.01 -0.37 -0.33 0.09 0.00 0.00 178.44 178.90 3ksu h GLU 57 N 0.01 0.07 -0.07 1.13 4.39 -0.99 -2.39 114.58 116.73 3ksu h GLU 57 Ca -0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3ksu h GLU 57 Cb 1.74 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 3ksu h GLU 57 CO 0.13 0.43 0.00 -0.25 -1.16 0.00 0.00 179.01 178.16 3ksu n ASP 58 N -4.09 0.55 -0.02 1.42 8.00 -0.93 -2.63 116.55 118.85 3ksu n ASP 58 Ca -0.02 -1.64 0.06 0.00 0.71 0.00 0.00 54.79 53.90 3ksu n ASP 58 Cb 0.42 -0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.31 3ksu n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ksu n GLN 59 N -0.36 0.66 0.00 -1.24 3.00 -0.93 -5.00 117.38 113.51 3ksu n GLN 59 Ca 0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3ksu n GLN 59 Cb 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 28.83 3ksu n GLN 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ksu n GLY 60 N 1.36 1.14 3.90 1.08 0.00 -1.08 -4.89 105.19 106.69 3ksu n GLY 60 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3ksu n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksu s ALA 61 N -2.00 3.90 -0.07 4.61 0.00 -1.04 -4.58 121.76 122.58 3ksu s ALA 61 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 3ksu s ALA 61 Cb 0.00 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 3ksu s ALA 61 CO 0.00 0.72 0.44 0.15 0.00 0.00 0.00 175.76 177.07 3ksu s LYS 62 N -2.08 4.20 -0.08 0.00 -0.14 -0.70 -3.83 119.74 117.11 3ksu s LYS 62 Ca 0.31 0.42 0.01 0.00 -1.36 0.00 0.00 55.97 55.35 3ksu s LYS 62 Cb -0.13 -3.36 0.02 0.00 -1.68 0.00 0.00 37.83 32.68 3ksu s LYS 62 CO 0.20 0.36 -0.11 0.08 -0.76 0.00 0.00 175.35 175.13 3ksu s VAL 63 N -0.02 1.08 -0.11 3.17 1.01 -1.26 -0.07 120.40 124.21 3ksu s VAL 63 Ca 0.24 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3ksu s VAL 63 Cb -0.16 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3ksu s VAL 63 CO 0.11 0.35 -0.16 0.00 0.00 0.00 0.00 175.10 175.40 3ksu s ALA 64 N 0.98 2.50 0.13 5.51 0.00 -0.10 -5.00 121.76 125.78 3ksu s ALA 64 Ca -0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 3ksu s ALA 64 Cb -0.15 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 3ksu s ALA 64 CO -0.00 0.29 0.35 -0.51 0.00 0.00 0.00 175.76 175.88 3ksu s LEU 65 N 0.24 4.28 -0.23 0.00 1.43 -1.26 -1.58 118.68 121.56 3ksu s LEU 65 Ca -0.11 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3ksu s LEU 65 Cb -0.16 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 42.94 3ksu s LEU 65 CO 0.06 0.07 0.31 -0.47 0.23 0.00 0.00 176.35 176.55 3ksu s TYR 66 N -1.64 -0.60 -0.06 0.29 5.04 -1.04 -4.93 117.35 114.41 3ksu s TYR 66 Ca 0.40 0.53 -0.19 0.00 -2.44 0.00 0.00 57.07 55.37 3ksu s TYR 66 Cb -0.12 -0.16 -0.05 0.00 0.35 0.00 0.00 41.96 41.98 3ksu s TYR 66 CO 0.26 -0.69 0.52 1.14 -1.34 0.00 0.00 175.55 175.44 3ksu s GLN 67 N 2.45 4.28 -0.13 4.97 1.03 -1.26 -1.95 119.66 129.04 3ksu s GLN 67 Ca 0.10 0.57 -0.29 0.00 0.04 0.00 0.00 55.36 55.78 3ksu s GLN 67 Cb -0.15 -3.37 0.09 0.00 0.03 0.00 0.00 33.01 29.60 3ksu s GLN 67 CO -0.15 0.30 0.79 0.45 -2.54 0.00 0.00 175.29 174.13 3ksu s SER 68 N 0.10 -0.59 0.33 12.60 0.15 -0.81 -4.97 113.70 120.51 3ksu s SER 68 Ca 0.28 0.79 0.03 0.00 0.70 0.00 0.00 55.95 57.75 3ksu s SER 68 Cb -0.17 0.67 0.58 0.00 -1.71 0.00 0.00 66.02 65.39 3ksu s SER 68 CO 0.14 -0.45 1.88 0.44 1.20 0.00 0.00 173.24 176.45 3ksu h ASP 69 N 3.34 0.56 -5.92 5.45 5.19 -1.86 -3.34 116.42 119.85 3ksu h ASP 69 Ca -0.25 -0.09 -0.37 0.00 -0.62 0.00 0.00 57.03 55.70 3ksu h ASP 69 Cb 1.15 -0.15 0.12 0.00 0.18 0.00 0.00 39.33 40.63 3ksu h ASP 69 CO 0.29 0.59 -0.88 -0.11 -3.12 0.00 0.00 179.24 176.01 3ksu n LEU 70 N -4.30 -3.88 -0.00 1.55 7.94 -1.26 -4.95 117.00 112.10 3ksu n LEU 70 Ca 0.02 -0.85 0.03 0.00 -1.11 0.00 0.00 56.01 54.10 3ksu n LEU 70 Cb 0.22 -2.76 -0.04 0.00 0.53 0.00 0.00 43.42 41.37 3ksu n LEU 70 CO 0.39 0.33 -0.07 -1.54 -1.11 0.00 0.00 177.39 175.39 3ksu n SER 71 N -2.97 0.59 -3.42 1.96 3.41 -1.26 -4.95 113.62 106.98 3ksu n SER 71 Ca -0.14 -0.60 -0.16 0.00 -0.26 0.00 0.00 58.87 57.71 3ksu n SER 71 Cb 0.63 1.03 -0.06 0.00 -0.26 0.00 0.00 64.21 65.54 3ksu n SER 71 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ksu s ASN 72 N -1.75 1.02 0.30 4.04 2.20 -1.26 -4.83 114.94 114.67 3ksu s ASN 72 Ca 0.02 -1.53 -0.00 0.00 -0.94 0.00 0.00 52.86 50.41 3ksu s ASN 72 Cb 0.05 0.59 0.47 0.00 -2.00 0.00 0.00 41.25 40.37 3ksu s ASN 72 CO 0.28 -1.17 1.89 -0.08 -2.94 0.00 0.00 177.10 175.09 3ksu h GLU 73 N 2.18 0.85 -0.51 3.55 4.81 -1.96 -2.66 114.58 120.84 3ksu h GLU 73 Ca -0.28 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 3ksu h GLU 73 Cb 1.24 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 3ksu h GLU 73 CO 0.39 0.68 0.33 1.49 -0.73 0.00 0.00 179.01 181.18 3ksu h GLU 74 N 0.84 0.64 -0.13 1.92 4.81 -1.99 0.12 114.58 120.81 3ksu h GLU 74 Ca 0.20 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.23 3ksu h GLU 74 Cb 0.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3ksu h GLU 74 CO -0.02 0.43 -0.61 0.93 -0.73 0.00 0.00 179.01 179.01 3ksu h GLU 75 N 0.66 0.44 -0.56 1.92 5.08 -1.93 -1.78 114.58 118.41 3ksu h GLU 75 Ca 0.19 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3ksu h GLU 75 Cb -0.05 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3ksu h GLU 75 CO -0.05 0.92 -0.06 0.28 -1.00 0.00 0.00 179.01 179.10 3ksu h VAL 76 N 0.33 1.27 -0.74 3.13 2.07 -1.28 -2.20 116.25 118.82 3ksu h VAL 76 Ca -0.01 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.32 3ksu h VAL 76 Cb 1.15 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3ksu h VAL 76 CO 0.11 0.43 0.49 0.00 0.02 0.00 0.00 177.57 178.61 3ksu h ALA 77 N 0.95 0.93 -0.58 1.67 0.00 -0.60 -2.83 119.26 118.80 3ksu h ALA 77 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ksu h ALA 77 Cb 0.62 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ksu h ALA 77 CO 0.04 0.36 0.16 0.87 0.00 0.00 0.00 179.25 180.67 3ksu h LYS 78 N 1.00 0.88 -0.20 0.00 1.57 -1.21 -0.43 116.57 118.18 3ksu h LYS 78 Ca 0.27 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ksu h LYS 78 Cb -0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3ksu h LYS 78 CO -0.06 0.78 0.13 1.25 -0.57 0.00 0.00 179.45 180.98 3ksu h LEU 79 N 0.85 0.22 -0.59 2.94 5.85 -1.16 -0.61 115.31 122.81 3ksu h LEU 79 Ca 0.19 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 3ksu h LEU 79 Cb 0.28 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3ksu h LEU 79 CO -0.00 0.16 -0.68 -0.26 -0.34 0.00 0.00 178.44 177.32 3ksu h PHE 80 N 0.26 0.00 -0.46 1.25 0.04 -1.36 -1.44 116.94 115.23 3ksu h PHE 80 Ca 0.07 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 3ksu h PHE 80 Cb -0.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3ksu h PHE 80 CO -0.07 0.68 0.12 -0.44 -0.60 0.00 0.00 178.31 178.00 3ksu h ASP 81 N 0.00 0.68 -0.24 2.17 3.32 -0.93 -1.29 116.42 120.13 3ksu h ASP 81 Ca -0.01 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.85 3ksu h ASP 81 Cb 1.23 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3ksu h ASP 81 CO 0.09 0.72 0.04 0.15 -1.72 0.00 0.00 179.24 178.52 3ksu h PHE 82 N 0.60 0.07 -0.46 4.55 3.57 -0.95 -1.40 116.94 122.91 3ksu h PHE 82 Ca 0.14 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3ksu h PHE 82 Cb 0.30 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3ksu h PHE 82 CO 0.02 0.01 0.30 0.00 -2.23 0.00 0.00 178.31 176.41 3ksu h ALA 83 N 1.18 0.59 -0.48 2.41 0.00 -1.13 -1.12 119.26 120.70 3ksu h ALA 83 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ksu h ALA 83 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ksu h ALA 83 CO -0.15 0.01 0.08 0.93 0.00 0.00 0.00 179.25 180.12 3ksu h GLU 84 N 0.60 0.75 -0.06 0.00 5.08 -1.14 -1.21 114.58 118.60 3ksu h GLU 84 Ca 0.17 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ksu h GLU 84 Cb -0.05 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3ksu h GLU 84 CO -0.05 0.71 0.01 -0.22 -1.00 0.00 0.00 179.01 178.46 3ksu h LYS 85 N 0.72 0.10 -0.14 2.33 3.64 -0.94 -1.36 116.57 120.93 3ksu h LYS 85 Ca 0.16 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.33 3ksu h LYS 85 Cb 0.33 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ksu h LYS 85 CO 0.00 0.33 -0.65 0.93 -2.27 0.00 0.00 179.45 177.80 3ksu h GLU 86 N -0.15 0.53 0.00 1.90 5.08 -1.12 -3.40 114.58 117.42 3ksu h GLU 86 Ca 0.02 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3ksu h GLU 86 Cb 0.28 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ksu h GLU 86 CO 0.00 1.00 -0.28 1.19 -1.00 0.00 0.00 179.01 179.93 3ksu n PHE 87 N -3.91 0.00 -1.11 4.33 3.72 -0.47 -5.11 117.46 114.92 3ksu n PHE 87 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3ksu n PHE 87 Cb 0.66 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 3ksu n PHE 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ksu n GLY 88 N 0.97 -1.79 3.77 1.37 0.00 -0.51 -5.01 105.19 103.99 3ksu n GLY 88 Ca 0.00 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 3ksu n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksu s LYS 89 N 0.00 4.04 0.33 1.61 1.02 -1.26 -3.89 119.74 121.59 3ksu s LYS 89 Ca 0.00 2.29 -0.27 0.00 0.02 0.00 0.00 55.97 58.01 3ksu s LYS 89 Cb 0.00 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 3ksu s LYS 89 CO 0.00 -0.48 1.11 0.08 -0.92 0.00 0.00 175.35 175.14 3ksu s VAL 90 N -1.20 3.46 -0.18 3.17 1.01 0.02 -4.65 120.40 122.04 3ksu s VAL 90 Ca 0.55 1.33 0.08 0.00 0.00 0.00 0.00 61.98 63.94 3ksu s VAL 90 Cb -0.41 -3.79 -0.17 0.00 0.00 0.00 0.00 36.38 32.01 3ksu s VAL 90 CO 0.54 0.21 -0.06 0.47 0.00 0.00 0.00 175.10 176.27 3ksu n ASP 91 N 0.65 1.65 -3.73 3.32 8.00 0.93 -1.09 116.55 126.29 3ksu n ASP 91 Ca 0.01 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.30 3ksu n ASP 91 Cb 0.46 0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 41.73 3ksu n ASP 91 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ksu s ILE 92 N -2.40 -0.09 -0.14 0.53 1.01 -0.67 -0.47 121.20 118.95 3ksu s ILE 92 Ca -0.17 0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.77 3ksu s ILE 92 Cb 0.06 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.41 3ksu s ILE 92 CO 0.58 0.12 -0.14 0.00 0.00 0.00 0.00 174.94 175.50 3ksu s ALA 93 N 1.53 1.83 -0.16 9.38 0.00 0.22 -0.48 121.76 134.08 3ksu s ALA 93 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 3ksu s ALA 93 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 3ksu s ALA 93 CO -0.04 -0.34 -0.11 0.42 0.00 0.00 0.00 175.76 175.70 3ksu s ILE 94 N 1.42 3.11 -0.47 0.00 -1.09 0.10 -0.93 121.20 123.35 3ksu s ILE 94 Ca 0.03 -0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 57.74 3ksu s ILE 94 Cb -0.13 -2.34 0.12 0.00 -1.58 0.00 0.00 42.46 38.53 3ksu s ILE 94 CO -0.09 0.50 0.34 0.21 -1.23 0.00 0.00 174.94 174.66 3ksu s ASN 95 N 0.73 5.70 -0.04 3.58 2.47 0.17 -0.84 114.94 126.71 3ksu s ASN 95 Ca -0.05 -1.87 0.13 0.00 0.42 0.00 0.00 52.86 51.49 3ksu s ASN 95 Cb -0.15 -2.01 -0.22 0.00 -1.45 0.00 0.00 41.25 37.42 3ksu s ASN 95 CO 0.02 -0.68 0.66 0.35 -3.72 0.00 0.00 177.10 173.72 3ksu n THR 96 N 4.91 1.55 0.00 -5.21 -2.24 -1.10 -0.09 114.28 112.10 3ksu n THR 96 Ca -0.08 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3ksu n THR 96 Cb 0.41 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 3ksu n THR 96 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3ksu n VAL 97 N -3.01 0.00 0.00 2.28 3.14 -1.25 -4.69 118.33 114.80 3ksu n VAL 97 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3ksu n VAL 97 Cb 1.03 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.70 3ksu n VAL 97 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ksu n GLY 98 N 3.77 2.13 3.67 7.55 0.00 -1.26 -4.96 105.19 116.10 3ksu n GLY 98 Ca 0.00 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3ksu n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksu s LYS 99 N -4.49 4.15 0.87 1.61 -0.14 -1.26 -4.99 119.74 115.50 3ksu s LYS 99 Ca 0.00 2.50 -0.13 0.00 -1.36 0.00 0.00 55.97 56.97 3ksu s LYS 99 Cb 0.00 -3.95 0.20 0.00 -1.68 0.00 0.00 37.83 32.40 3ksu s LYS 99 CO 0.00 -0.89 1.19 1.33 -0.76 0.00 0.00 175.35 176.22 3ksu n VAL 100 N 5.28 0.00 -3.17 3.17 0.24 -1.26 -5.03 118.33 117.57 3ksu n VAL 100 Ca 0.18 -0.98 -0.39 0.00 -2.04 0.00 0.00 64.34 61.11 3ksu n VAL 100 Cb 0.41 -1.46 -0.06 0.00 -1.47 0.00 0.00 33.84 31.25 3ksu n VAL 100 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ksu s LEU 101 N 0.00 4.21 -0.20 1.34 1.43 -1.26 -4.95 118.68 119.25 3ksu s LEU 101 Ca 0.69 0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 54.46 3ksu s LEU 101 Cb -0.02 -2.86 -0.17 0.00 0.03 0.00 0.00 46.19 43.17 3ksu s LEU 101 CO 0.48 -0.17 0.17 0.11 0.23 0.00 0.00 176.35 177.17 3ksu h LYS 102 N 7.16 0.00 -6.96 1.70 1.57 -2.05 -3.47 116.57 114.53 3ksu h LYS 102 Ca -0.36 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.95 3ksu h LYS 102 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 3ksu h LYS 102 CO 0.76 0.86 0.38 0.21 -0.57 0.00 0.00 179.45 181.08 3ksu s LYS 103 N -2.34 4.30 0.80 3.15 2.20 -1.26 -5.04 119.74 121.56 3ksu s LYS 103 Ca -0.26 1.38 -0.13 0.00 -0.36 0.00 0.00 55.97 56.59 3ksu s LYS 103 Cb 0.05 -2.55 0.08 0.00 -1.51 0.00 0.00 37.83 33.90 3ksu s LYS 103 CO 0.54 0.01 1.19 -2.14 -0.36 0.00 0.00 175.35 174.59 3ksu s PRO 104 N -2.49 1.68 0.26 4.03 0.02 -1.26 -4.92 135.00 132.32 3ksu s PRO 104 Ca 0.56 1.70 -0.04 0.00 0.02 0.00 0.00 61.00 63.25 3ksu s PRO 104 Cb -0.18 -1.79 0.37 0.00 0.02 0.00 0.00 34.50 32.92 3ksu s PRO 104 CO 0.24 -2.17 1.88 0.82 -0.33 0.00 0.00 177.00 177.43 3ksu h ILE 105 N -0.93 1.09 0.00 2.83 5.03 -1.96 -2.31 117.51 121.25 3ksu h ILE 105 Ca -0.46 -0.39 -0.05 0.00 -0.12 0.00 0.00 64.86 63.85 3ksu h ILE 105 Cb 1.29 -0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 3ksu h ILE 105 CO 0.46 0.21 -0.23 0.58 -0.68 0.00 0.00 178.15 178.49 3ksu h VAL 106 N 1.12 1.16 -0.21 1.67 2.07 -2.03 -2.39 116.25 117.64 3ksu h VAL 106 Ca 0.41 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3ksu h VAL 106 Cb 0.14 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3ksu h VAL 106 CO -0.17 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 3ksu n GLU 107 N -4.26 1.96 -4.48 1.57 1.02 -0.88 -4.89 120.64 110.68 3ksu n GLU 107 Ca -0.02 -1.45 -0.34 0.00 -0.02 0.00 0.00 57.16 55.33 3ksu n GLU 107 Cb 0.29 -1.43 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 3ksu n GLU 107 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ksu s THR 108 N -1.73 3.68 0.59 2.62 2.01 -0.90 -4.96 115.64 116.94 3ksu s THR 108 Ca 0.34 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 3ksu s THR 108 Cb 0.19 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 70.10 3ksu s THR 108 CO 0.28 0.50 0.91 -0.94 -0.69 0.00 0.00 174.62 174.68 3ksu s SER 109 N 0.38 5.70 0.37 3.53 1.04 -1.26 -4.96 113.70 118.50 3ksu s SER 109 Ca -0.06 0.82 0.04 0.00 0.48 0.00 0.00 55.95 57.23 3ksu s SER 109 Cb -0.15 -1.84 0.70 0.00 0.10 0.00 0.00 66.02 64.83 3ksu s SER 109 CO 0.04 -1.01 2.00 -0.33 0.98 0.00 0.00 173.24 174.91 3ksu h GLU 110 N -0.17 0.68 -0.85 4.02 5.08 -1.99 -2.31 114.58 119.04 3ksu h GLU 110 Ca -0.45 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 3ksu h GLU 110 Cb 1.25 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 3ksu h GLU 110 CO 0.61 0.49 0.39 0.00 -1.00 0.00 0.00 179.01 179.50 3ksu h ALA 111 N 1.63 1.09 -0.15 3.43 0.00 -1.99 -1.17 119.26 122.10 3ksu h ALA 111 Ca 0.18 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3ksu h ALA 111 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3ksu h ALA 111 CO -0.03 0.67 -0.49 0.93 0.00 0.00 0.00 179.25 180.33 3ksu h GLU 112 N 1.21 0.39 -0.39 0.00 5.08 -1.82 -1.58 114.58 117.47 3ksu h GLU 112 Ca 0.29 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3ksu h GLU 112 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ksu h GLU 112 CO -0.03 0.79 -0.16 0.74 -1.00 0.00 0.00 179.01 179.35 3ksu h PHE 113 N 0.31 0.92 -0.60 4.33 0.04 -1.28 -2.30 116.94 118.37 3ksu h PHE 113 Ca 0.02 -0.22 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 3ksu h PHE 113 Cb 0.97 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.88 3ksu h PHE 113 CO 0.03 0.97 0.18 0.22 -0.60 0.00 0.00 178.31 179.10 3ksu h ASP 114 N 0.61 0.84 0.66 2.17 1.82 -1.11 -0.78 116.42 120.64 3ksu h ASP 114 Ca 0.09 -0.14 -0.14 0.00 -0.39 0.00 0.00 57.03 56.45 3ksu h ASP 114 Cb 0.71 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 3ksu h ASP 114 CO 0.05 0.80 -0.65 0.00 -1.61 0.00 0.00 179.24 177.83 3ksu h ALA 115 N 1.32 0.92 -0.38 -0.78 0.00 -1.27 -1.83 119.26 117.23 3ksu h ALA 115 Ca 0.20 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 3ksu h ALA 115 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ksu h ALA 115 CO -0.01 0.82 -0.39 0.52 0.00 0.00 0.00 179.25 180.19 3ksu h MET 116 N 0.00 0.92 -0.65 0.00 2.86 -0.98 -2.81 114.93 114.28 3ksu h MET 116 Ca -0.01 -0.48 -0.07 0.00 -2.06 0.00 0.00 59.70 57.08 3ksu h MET 116 Cb 1.16 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 3ksu h MET 116 CO 0.08 1.14 0.13 -0.44 1.06 0.00 0.00 176.91 178.88 3ksu h ASP 117 N 0.75 0.99 -0.51 1.22 3.32 -1.05 -2.17 116.42 118.97 3ksu h ASP 117 Ca 0.06 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 3ksu h ASP 117 Cb 0.98 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3ksu h ASP 117 CO 0.09 0.97 0.16 0.74 -1.72 0.00 0.00 179.24 179.49 3ksu h THR 118 N 0.98 1.23 -0.31 0.35 2.02 -1.31 0.16 112.91 116.03 3ksu h THR 118 Ca 0.20 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 3ksu h THR 118 Cb 0.39 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3ksu h THR 118 CO 0.01 0.29 -0.05 0.40 0.37 0.00 0.00 175.52 176.53 3ksu h ILE 119 N 0.70 1.27 -0.63 3.11 2.04 -1.50 -1.88 117.51 120.63 3ksu h ILE 119 Ca 0.17 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 65.03 3ksu h ILE 119 Cb 0.28 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 3ksu h ILE 119 CO -0.01 0.34 0.32 0.78 0.00 0.00 0.00 178.15 179.59 3ksu h ASN 120 N 0.36 0.46 -0.74 1.72 2.35 -1.22 -0.86 115.58 117.65 3ksu h ASN 120 Ca 0.08 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3ksu h ASN 120 Cb 0.52 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 3ksu h ASN 120 CO 0.03 0.29 0.33 0.78 -1.65 0.00 0.00 177.43 177.21 3ksu h ASN 121 N 0.60 1.00 -0.24 5.81 -0.26 -0.60 -0.63 115.58 121.26 3ksu h ASN 121 Ca 0.29 -0.13 -0.07 0.00 -0.56 0.00 0.00 56.30 55.83 3ksu h ASN 121 Cb 0.22 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 3ksu h ASN 121 CO -0.20 0.87 -0.12 0.50 -1.06 0.00 0.00 177.43 177.42 3ksu h LYS 122 N 1.08 0.50 -0.63 0.81 3.64 -1.00 -2.00 116.57 118.98 3ksu h LYS 122 Ca 0.26 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3ksu h LYS 122 Cb 0.16 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3ksu h LYS 122 CO -0.03 0.77 0.16 0.28 -2.27 0.00 0.00 179.45 178.37 3ksu h VAL 123 N 0.22 1.24 -0.78 2.00 2.07 -1.08 -1.30 116.25 118.62 3ksu h VAL 123 Ca 0.05 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.71 3ksu h VAL 123 Cb 0.62 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3ksu h VAL 123 CO 0.04 0.33 0.51 0.00 0.02 0.00 0.00 177.57 178.47 3ksu h ALA 124 N 1.24 0.99 -0.06 1.67 0.00 -1.00 0.45 119.26 122.55 3ksu h ALA 124 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ksu h ALA 124 Cb 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ksu h ALA 124 CO -0.00 0.38 0.04 -0.92 0.00 0.00 0.00 179.25 178.74 3ksu h TYR 125 N 1.03 0.08 -0.39 0.00 3.20 -0.99 -2.59 116.97 117.32 3ksu h TYR 125 Ca 0.29 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3ksu h TYR 125 Cb -0.09 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3ksu h TYR 125 CO -0.02 0.08 0.11 0.74 -1.64 0.00 0.00 178.16 177.42 3ksu h PHE 126 N 0.06 0.57 -0.14 -3.82 0.05 -0.79 -1.88 116.94 110.99 3ksu h PHE 126 Ca 0.02 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 3ksu h PHE 126 Cb 0.02 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 37.79 3ksu h PHE 126 CO -0.06 0.49 0.06 0.35 -0.18 0.00 0.00 178.31 178.96 3ksu h PHE 127 N 0.56 0.21 -0.51 -0.55 3.57 0.01 -0.53 116.94 119.71 3ksu h PHE 127 Ca 0.13 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3ksu h PHE 127 Cb 0.20 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3ksu h PHE 127 CO 0.01 0.29 0.08 0.82 -2.23 0.00 0.00 178.31 177.28 3ksu h ILE 128 N 0.07 1.25 -0.53 1.41 2.04 -1.31 -0.58 117.51 119.85 3ksu h ILE 128 Ca 0.05 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 3ksu h ILE 128 Cb 0.17 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3ksu h ILE 128 CO -0.00 0.33 0.20 0.50 0.00 0.00 0.00 178.15 179.18 3ksu h LYS 129 N 0.72 0.80 0.00 2.37 3.64 -1.26 -2.38 116.57 120.46 3ksu h LYS 129 Ca 0.15 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3ksu h LYS 129 Cb 0.40 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3ksu h LYS 129 CO 0.01 0.71 -0.64 1.96 -2.27 0.00 0.00 179.45 179.22 3ksu h GLN 130 N 0.72 0.00 -0.30 1.90 1.08 -1.03 -3.17 115.11 114.31 3ksu h GLN 130 Ca 0.17 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 3ksu h GLN 130 Cb 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3ksu h GLN 130 CO -0.01 0.40 -0.01 0.00 -0.95 0.00 0.00 178.83 178.26 3ksu h ALA 131 N 1.55 0.40 -0.69 3.87 0.00 -1.07 -3.25 119.26 120.07 3ksu h ALA 131 Ca -0.03 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ksu h ALA 131 Cb 1.37 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3ksu h ALA 131 CO 0.05 0.17 0.46 0.00 0.00 0.00 0.00 179.25 179.93 3ksu h ALA 132 N 0.83 1.72 0.00 0.00 0.00 -1.44 -1.85 119.26 118.53 3ksu h ALA 132 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ksu h ALA 132 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ksu h ALA 132 CO 0.02 0.17 0.00 0.87 0.00 0.00 0.00 179.25 180.31 3ksu h LYS 133 N 0.72 0.00 -0.02 0.00 1.57 -1.58 -3.20 116.57 114.06 3ksu h LYS 133 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3ksu h LYS 133 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3ksu h LYS 133 CO -0.10 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.50 3ksu n HIS 134 N -2.46 0.08 -4.17 -1.35 8.25 -0.71 -5.07 115.22 109.78 3ksu n HIS 134 Ca 0.03 -0.96 -0.33 0.00 -0.26 0.00 0.00 57.72 56.21 3ksu n HIS 134 Cb 0.31 -0.16 -0.08 0.00 1.12 0.00 0.00 29.99 31.19 3ksu n HIS 134 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3ksu s MET 135 N -2.74 2.93 0.83 -0.41 0.00 -1.09 -0.80 119.30 118.02 3ksu s MET 135 Ca 0.31 -0.56 -0.11 0.00 0.00 0.00 0.00 55.69 55.33 3ksu s MET 135 Cb 0.27 -2.77 0.09 0.00 0.00 0.00 0.00 34.83 32.42 3ksu s MET 135 CO 0.03 0.63 1.09 -0.80 0.00 0.00 0.00 175.02 175.97 3ksu s ASN 136 N -1.72 4.09 0.66 1.11 0.01 -0.25 -4.84 114.94 114.00 3ksu s ASN 136 Ca 0.22 1.52 -0.17 0.00 -0.71 0.00 0.00 52.86 53.72 3ksu s ASN 136 Cb -0.12 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.31 3ksu s ASN 136 CO 0.13 -2.25 1.21 -2.84 -1.51 0.00 0.00 177.10 171.83 3ksu s PRO 137 N -4.99 2.56 -1.45 -0.60 0.02 -1.26 -3.13 135.00 126.15 3ksu s PRO 137 Ca 0.62 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3ksu s PRO 137 Cb -0.17 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3ksu s PRO 137 CO 0.56 -1.51 0.00 0.09 -0.33 0.00 0.00 177.00 175.81 3ksu n ASN 138 N -2.18 -4.88 -4.84 2.53 4.13 -0.24 -5.03 115.26 104.75 3ksu n ASN 138 Ca 0.13 0.04 -0.30 0.00 1.68 0.00 0.00 54.58 56.14 3ksu n ASN 138 Cb 0.50 -3.97 0.08 0.00 -1.54 0.00 0.00 39.78 34.85 3ksu n ASN 138 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3ksu s GLY 139 N -2.33 1.62 -0.07 7.41 0.00 -1.18 -4.93 107.32 107.83 3ksu s GLY 139 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.39 3ksu s GLY 139 CO 0.00 0.09 -0.06 0.30 0.00 0.00 0.00 173.10 173.43 3ksu s HIS 140 N -3.29 1.01 -0.18 1.90 3.76 0.38 -2.15 115.29 116.71 3ksu s HIS 140 Ca 0.60 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 55.13 3ksu s HIS 140 Cb -0.13 -0.87 -0.01 0.00 1.11 0.00 0.00 32.58 32.68 3ksu s HIS 140 CO 0.53 -0.29 -0.07 0.42 -0.85 0.00 0.00 174.74 174.47 3ksu s ILE 141 N 1.19 3.30 -0.07 0.60 1.01 -0.32 -0.61 121.20 126.30 3ksu s ILE 141 Ca -0.06 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.08 3ksu s ILE 141 Cb -0.14 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.88 3ksu s ILE 141 CO -0.02 0.47 -0.16 -0.63 0.00 0.00 0.00 174.94 174.60 3ksu s ILE 142 N 0.97 1.43 -0.08 2.92 1.01 -0.10 -1.07 121.20 126.27 3ksu s ILE 142 Ca -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3ksu s ILE 142 Cb -0.15 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 3ksu s ILE 142 CO -0.00 0.42 -0.18 -0.89 0.00 0.00 0.00 174.94 174.29 3ksu s THR 143 N 0.53 2.68 -0.45 2.92 2.01 -0.62 -0.65 115.64 122.06 3ksu s THR 143 Ca -0.15 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 3ksu s THR 143 Cb -0.16 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.32 3ksu s THR 143 CO 0.05 0.56 0.69 -0.63 -0.69 0.00 0.00 174.62 174.60 3ksu s ILE 144 N -0.12 4.77 -0.56 1.82 -1.09 0.88 -1.15 121.20 125.75 3ksu s ILE 144 Ca -0.03 0.13 -0.21 0.00 -2.23 0.00 0.00 60.65 58.31 3ksu s ILE 144 Cb -0.14 -4.26 0.06 0.00 -1.58 0.00 0.00 42.46 36.54 3ksu s ILE 144 CO 0.04 -0.68 0.78 0.00 -1.23 0.00 0.00 174.94 173.85 3ksu s ALA 145 N 2.97 3.28 0.20 9.38 0.00 0.10 -4.75 121.76 132.95 3ksu s ALA 145 Ca 0.24 -1.70 0.10 0.00 0.00 0.00 0.00 51.96 50.59 3ksu s ALA 145 Cb -0.14 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3ksu s ALA 145 CO 0.19 -2.29 -0.19 0.95 0.00 0.00 0.00 175.76 174.42 3ksu s THR 146 N 3.23 2.02 -0.09 0.00 -4.23 -1.26 -4.09 115.64 111.21 3ksu s THR 146 Ca 0.20 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 3ksu s THR 146 Cb -0.18 -2.02 0.02 0.00 1.34 0.00 0.00 72.50 71.66 3ksu s THR 146 CO 0.13 -0.35 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.20 3ksu s SER 147 N -2.96 1.96 0.28 3.99 0.15 -1.26 -5.02 113.70 110.84 3ksu s SER 147 Ca 0.21 -0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.62 3ksu s SER 147 Cb -0.05 -0.83 0.40 0.00 -1.71 0.00 0.00 66.02 63.83 3ksu s SER 147 CO 0.09 -0.04 1.66 -0.07 1.20 0.00 0.00 173.24 176.08 3ksu h LEU 148 N 7.55 0.22 -0.30 3.45 3.38 -1.97 -1.13 115.31 126.51 3ksu h LEU 148 Ca -0.31 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 3ksu h LEU 148 Cb 1.16 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3ksu h LEU 148 CO 0.45 0.67 -0.06 0.25 0.09 0.00 0.00 178.44 179.84 3ksu h LEU 149 N 0.17 0.58 -1.16 1.67 5.85 -1.95 -1.58 115.31 118.88 3ksu h LEU 149 Ca 0.01 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 3ksu h LEU 149 Cb 0.91 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3ksu h LEU 149 CO 0.07 0.80 -0.14 0.00 -0.34 0.00 0.00 178.44 178.83 3ksu h ALA 150 N 0.80 1.30 -0.36 1.25 0.00 -1.80 0.23 119.26 120.69 3ksu h ALA 150 Ca 0.08 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3ksu h ALA 150 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ksu h ALA 150 CO 0.03 0.46 -0.21 0.00 0.00 0.00 0.00 179.25 179.53 3ksu h ALA 151 N 1.47 0.95 -0.04 0.00 0.00 -1.14 -0.14 119.26 120.36 3ksu h ALA 151 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3ksu h ALA 151 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ksu h ALA 151 CO 0.03 0.61 -0.20 -0.92 0.00 0.00 0.00 179.25 178.77 3ksu h TYR 152 N 0.62 0.28 0.07 0.00 3.20 -0.88 -3.35 116.97 116.92 3ksu h TYR 152 Ca 0.09 -0.12 -0.28 0.00 3.14 0.00 0.00 58.73 61.56 3ksu h TYR 152 Cb 0.69 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 38.94 3ksu h TYR 152 CO 0.03 0.83 -1.15 1.79 -1.64 0.00 0.00 178.16 178.02 3ksu h THR 153 N -0.35 1.33 0.00 1.81 1.35 -1.02 -3.48 112.91 112.55 3ksu h THR 153 Ca -0.01 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 3ksu h THR 153 Cb 0.85 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3ksu h THR 153 CO 0.04 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 3ksu n GLY 154 N 1.25 0.61 3.50 5.82 0.00 -0.07 -5.05 105.19 111.25 3ksu n GLY 154 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3ksu n GLY 154 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ksu s PHE 155 N -2.12 3.14 -0.08 1.61 5.36 -1.21 -5.02 117.98 119.66 3ksu s PHE 155 Ca 0.00 -0.24 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 3ksu s PHE 155 Cb 0.00 -3.05 -0.03 0.00 -0.34 0.00 0.00 43.02 39.61 3ksu s PHE 155 CO 0.00 -0.75 -0.09 0.71 -1.46 0.00 0.00 175.22 173.63 3ksu s TYR 156 N 2.38 2.88 0.15 10.12 1.51 -1.26 -4.65 117.35 128.47 3ksu s TYR 156 Ca 0.16 -0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.06 3ksu s TYR 156 Cb -0.16 -1.73 -0.06 0.00 -0.11 0.00 0.00 41.96 39.91 3ksu s TYR 156 CO 0.15 0.22 0.39 -1.54 -1.11 0.00 0.00 175.55 173.66 3ksu s SER 157 N -0.58 6.50 -0.35 2.29 1.04 -1.26 -5.20 113.70 116.13 3ksu s SER 157 Ca 0.09 0.61 0.14 0.00 0.48 0.00 0.00 55.95 57.27 3ksu s SER 157 Cb -0.12 -2.10 0.42 0.00 0.10 0.00 0.00 66.02 64.33 3ksu s SER 157 CO 0.02 0.04 1.03 1.07 0.98 0.00 0.00 173.24 176.37 3ksu n THR 158 N 0.04 0.54 0.00 2.02 5.66 -1.26 -5.10 114.28 116.19 3ksu n THR 158 Ca -0.02 -2.79 0.00 0.00 -3.05 0.00 0.00 64.05 58.19 3ksu n THR 158 Cb 0.52 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 3ksu n THR 158 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ksu n ALA 164 N -0.12 0.00 -0.29 1.79 0.00 -1.26 -5.12 120.51 115.51 3ksu n ALA 164 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 3ksu n ALA 164 Cb 0.80 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.53 3ksu n ALA 164 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ksu h PRO 165 N 0.00 0.38 -0.54 0.00 0.11 -2.00 -2.71 132.00 127.24 3ksu h PRO 165 Ca 0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 3ksu h PRO 165 Cb 0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3ksu h PRO 165 CO 0.00 0.25 -0.04 0.28 -0.21 0.00 0.00 178.00 178.28 3ksu h VAL 166 N 0.39 1.26 -0.83 3.15 2.07 -1.99 0.10 116.25 120.41 3ksu h VAL 166 Ca 0.53 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3ksu h VAL 166 Cb 0.97 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3ksu h VAL 166 CO -0.52 0.41 0.52 -0.33 0.02 0.00 0.00 177.57 177.67 3ksu h GLU 167 N 0.87 0.94 -0.37 1.57 5.08 -1.92 0.68 114.58 121.43 3ksu h GLU 167 Ca 0.15 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 3ksu h GLU 167 Cb 0.57 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3ksu h GLU 167 CO 0.03 0.62 -0.14 1.25 -1.00 0.00 0.00 179.01 179.77 3ksu h HIS 168 N 0.97 0.86 -0.31 4.33 2.76 -1.22 -1.67 115.15 120.86 3ksu h HIS 168 Ca 0.35 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3ksu h HIS 168 Cb 0.11 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 3ksu h HIS 168 CO -0.03 0.92 0.14 1.88 -1.30 0.00 0.00 177.93 179.53 3ksu h TYR 169 N 0.55 0.46 -0.40 5.26 0.05 -0.58 -1.98 116.97 120.32 3ksu h TYR 169 Ca 0.09 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.86 3ksu h TYR 169 Cb 0.67 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 3ksu h TYR 169 CO 0.05 0.43 0.22 1.15 -1.05 0.00 0.00 178.16 178.96 3ksu h THR 170 N 0.36 1.00 -0.11 -2.88 2.02 -0.82 -0.76 112.91 111.72 3ksu h THR 170 Ca 0.11 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3ksu h THR 170 Cb 0.15 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3ksu h THR 170 CO -0.01 0.08 0.03 -0.09 0.37 0.00 0.00 175.52 175.90 3ksu h ARG 171 N 0.44 0.17 -0.26 6.66 9.65 -1.24 -2.29 114.38 127.50 3ksu h ARG 171 Ca 0.17 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.88 3ksu h ARG 171 Cb 0.05 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3ksu h ARG 171 CO -0.10 0.31 -0.36 0.00 2.80 0.00 0.00 179.97 182.62 3ksu h ALA 172 N 0.85 0.88 -0.37 2.80 0.00 -1.27 -2.64 119.26 119.50 3ksu h ALA 172 Ca 0.04 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 3ksu h ALA 172 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ksu h ALA 172 CO -0.00 0.63 -0.37 0.00 0.00 0.00 0.00 179.25 179.51 3ksu h ALA 173 N 1.11 0.64 -0.54 0.00 0.00 -1.14 -1.79 119.26 117.54 3ksu h ALA 173 Ca 0.05 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3ksu h ALA 173 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3ksu h ALA 173 CO 0.07 0.67 0.03 0.66 0.00 0.00 0.00 179.25 180.68 3ksu h SER 174 N 0.72 0.91 -0.52 0.00 4.64 -1.32 -0.22 113.55 117.77 3ksu h SER 174 Ca 0.06 -0.29 0.03 0.00 -0.47 0.00 0.00 61.79 61.12 3ksu h SER 174 Cb 0.95 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.76 3ksu h SER 174 CO 0.09 0.98 0.30 0.11 -0.87 0.00 0.00 176.83 177.44 3ksu h LYS 175 N 0.81 0.58 -0.30 4.77 1.57 -1.48 -2.66 116.57 119.87 3ksu h LYS 175 Ca 0.16 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3ksu h LYS 175 Cb 0.50 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3ksu h LYS 175 CO 0.02 0.38 -0.06 0.93 -0.57 0.00 0.00 179.45 180.16 3ksu h GLU 176 N 0.60 0.47 -0.61 3.15 4.39 -0.95 -3.20 114.58 118.42 3ksu h GLU 176 Ca 0.21 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3ksu h GLU 176 Cb 0.04 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3ksu h GLU 176 CO -0.10 0.55 0.00 1.28 -1.16 0.00 0.00 179.01 179.57 3ksu n LEU 177 N -4.25 4.33 -0.35 1.33 4.77 -0.13 -4.55 117.00 118.15 3ksu n LEU 177 Ca 0.01 -2.33 0.04 0.00 -0.03 0.00 0.00 56.01 53.70 3ksu n LEU 177 Cb 0.27 -0.52 0.21 0.00 -2.33 0.00 0.00 43.42 41.05 3ksu n LEU 177 CO 0.39 0.84 1.25 -0.03 -1.33 0.00 0.00 177.39 178.51 3ksu h MET 178 N 3.77 1.06 0.00 3.23 4.05 -1.47 -2.23 114.93 123.34 3ksu h MET 178 Ca 0.00 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.27 3ksu h MET 178 Cb 1.27 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 3ksu h MET 178 CO 0.15 0.70 -0.50 0.87 0.23 0.00 0.00 176.91 178.37 3ksu h LYS 179 N 1.10 0.00 -0.00 0.39 1.79 -1.86 -3.13 116.57 114.86 3ksu h LYS 179 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 3ksu h LYS 179 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3ksu h LYS 179 CO -0.19 0.40 -0.08 1.04 -1.08 0.00 0.00 179.45 179.54 3ksu n GLN 180 N -3.17 0.66 -3.51 3.15 3.00 -0.87 -4.95 117.38 111.70 3ksu n GLN 180 Ca 0.01 -0.17 -0.18 0.00 -0.01 0.00 0.00 57.00 56.65 3ksu n GLN 180 Cb 0.71 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 29.52 3ksu n GLN 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3ksu n GLN 181 N -1.02 -5.81 -4.57 -1.09 6.02 -1.00 -4.29 117.38 105.63 3ksu n GLN 181 Ca 0.15 0.78 -0.33 0.00 -0.01 0.00 0.00 57.00 57.59 3ksu n GLN 181 Cb 0.26 -5.63 -0.15 0.00 1.02 0.00 0.00 30.24 25.73 3ksu n GLN 181 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ksu s ILE 182 N -3.46 2.67 0.26 5.09 -1.09 -1.14 -1.08 121.20 122.45 3ksu s ILE 182 Ca 0.03 -0.77 -0.25 0.00 -2.23 0.00 0.00 60.65 57.42 3ksu s ILE 182 Cb -0.01 -2.12 -0.09 0.00 -1.58 0.00 0.00 42.46 38.66 3ksu s ILE 182 CO 0.76 0.52 0.86 -0.94 -1.23 0.00 0.00 174.94 174.91 3ksu s SER 183 N 0.77 7.34 -0.12 3.58 1.04 -0.91 -4.62 113.70 120.77 3ksu s SER 183 Ca -0.06 1.73 -0.01 0.00 0.48 0.00 0.00 55.95 58.09 3ksu s SER 183 Cb -0.15 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.46 3ksu s SER 183 CO 0.01 0.05 -0.05 -0.69 0.98 0.00 0.00 173.24 173.53 3ksu s VAL 184 N -1.43 0.90 0.08 5.02 1.01 -1.26 -1.17 120.40 123.55 3ksu s VAL 184 Ca 0.44 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3ksu s VAL 184 Cb -0.20 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3ksu s VAL 184 CO 0.25 0.26 -0.05 0.20 0.00 0.00 0.00 175.10 175.76 3ksu s ASN 185 N 1.75 0.91 0.08 3.32 0.01 -0.24 -1.44 114.94 119.34 3ksu s ASN 185 Ca 0.04 -0.99 0.05 0.00 -0.71 0.00 0.00 52.86 51.25 3ksu s ASN 185 Cb -0.13 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.62 3ksu s ASN 185 CO -0.08 -0.50 -0.14 0.00 -1.51 0.00 0.00 177.10 174.87 3ksu s ALA 186 N -3.65 1.28 -0.16 0.60 0.00 0.09 -1.59 121.76 118.33 3ksu s ALA 186 Ca 0.09 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3ksu s ALA 186 Cb 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3ksu s ALA 186 CO -0.06 0.16 -0.18 0.42 0.00 0.00 0.00 175.76 176.10 3ksu s ILE 187 N -1.48 1.85 -0.49 0.00 1.01 -0.30 -0.50 121.20 121.28 3ksu s ILE 187 Ca 0.01 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 3ksu s ILE 187 Cb -0.09 -1.68 0.12 0.00 0.01 0.00 0.00 42.46 40.82 3ksu s ILE 187 CO 0.02 0.51 0.39 0.00 0.00 0.00 0.00 174.94 175.86 3ksu s ALA 188 N 1.28 3.47 0.73 9.38 0.00 0.48 0.03 121.76 137.12 3ksu s ALA 188 Ca 0.03 -2.52 -0.11 0.00 0.00 0.00 0.00 51.96 49.36 3ksu s ALA 188 Cb -0.13 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.05 3ksu s ALA 188 CO -0.10 -1.93 1.07 -2.14 0.00 0.00 0.00 175.76 172.66 3ksu s PRO 189 N 1.44 2.62 0.72 0.00 0.02 -1.26 -1.84 135.00 136.71 3ksu s PRO 189 Ca 0.05 0.99 -0.12 0.00 0.02 0.00 0.00 61.00 61.94 3ksu s PRO 189 Cb -0.27 -1.95 0.17 0.00 0.02 0.00 0.00 34.50 32.46 3ksu s PRO 189 CO 0.01 -1.33 0.94 0.41 -0.33 0.00 0.00 177.00 176.70 3ksu n GLY 190 N -1.74 -1.53 3.62 0.52 0.00 -0.96 -4.86 105.19 100.24 3ksu n GLY 190 Ca 0.08 -1.68 -0.61 0.00 0.00 0.00 0.00 46.02 43.82 3ksu n GLY 190 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ksu n PRO 191 N -3.12 0.57 -1.93 1.61 -0.04 -1.26 -4.58 135.00 126.25 3ksu n PRO 191 Ca 0.12 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 3ksu n PRO 191 Cb 0.42 -1.84 0.03 0.00 -0.04 0.00 0.00 33.50 32.07 3ksu n PRO 191 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ksu n MET 192 N 5.63 0.80 -1.57 0.54 2.81 -1.26 -0.80 117.12 123.26 3ksu n MET 192 Ca 0.35 -1.48 -0.32 0.00 -1.81 0.00 0.00 57.70 54.44 3ksu n MET 192 Cb 0.05 -0.12 0.06 0.00 -0.71 0.00 0.00 33.22 32.50 3ksu n MET 192 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3ksu s ASP 193 N -2.72 5.06 0.54 7.83 3.68 -1.26 -4.91 116.67 124.89 3ksu s ASP 193 Ca 0.29 1.81 0.35 0.00 2.13 0.00 0.00 52.55 57.12 3ksu s ASP 193 Cb -0.02 -2.52 1.54 0.00 -1.45 0.00 0.00 42.92 40.47 3ksu s ASP 193 CO 0.18 -1.66 2.03 0.71 0.13 0.00 0.00 175.17 176.56 3ksu h THR 194 N -0.53 0.00 0.00 1.71 1.35 -2.00 -2.93 112.91 110.51 3ksu h THR 194 Ca -0.45 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3ksu h THR 194 Cb 1.23 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3ksu h THR 194 CO 0.54 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.58 3ksu h SER 195 N 0.00 0.00 0.00 5.36 4.64 -2.06 -3.52 113.55 117.98 3ksu h SER 195 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ksu h SER 195 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3ksu h SER 195 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3ksu n PHE 196 N -2.37 0.00 0.00 4.77 3.01 -1.11 -5.11 117.46 116.66 3ksu n PHE 196 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 3ksu n PHE 196 Cb 0.33 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 3ksu n PHE 196 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3ksu n ASN 216 N -1.98 0.00 -0.24 4.37 4.13 -1.26 -4.91 115.26 115.38 3ksu n ASN 216 Ca 0.00 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.32 3ksu n ASN 216 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 3ksu n ASN 216 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ksu n GLN 217 N -1.28 2.12 -2.82 3.52 6.02 -1.26 -5.02 117.38 118.65 3ksu n GLN 217 Ca 0.00 -0.58 -0.37 0.00 -0.01 0.00 0.00 57.00 56.04 3ksu n GLN 217 Cb 0.00 -1.13 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 3ksu n GLN 217 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ksu s LEU 218 N -1.85 4.36 -0.06 1.08 1.43 -1.26 -4.88 118.68 117.50 3ksu s LEU 218 Ca 0.09 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 3ksu s LEU 218 Cb 0.09 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 3ksu s LEU 218 CO 0.32 -0.04 1.15 -0.89 0.23 0.00 0.00 176.35 177.13 3ksu s THR 219 N -1.57 4.38 0.28 5.49 2.01 0.02 -5.01 115.64 121.24 3ksu s THR 219 Ca 0.49 1.69 -0.07 0.00 0.31 0.00 0.00 61.69 64.11 3ksu s THR 219 Cb -0.19 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 3ksu s THR 219 CO 0.24 0.01 0.57 -0.54 -0.69 0.00 0.00 174.62 174.22 3ksu s LYS 220 N 2.05 3.69 0.53 4.92 1.02 -1.26 -4.40 119.74 126.29 3ksu s LYS 220 Ca 0.54 0.13 0.34 0.00 0.02 0.00 0.00 55.97 57.00 3ksu s LYS 220 Cb -0.23 -2.62 1.42 0.00 -0.52 0.00 0.00 37.83 35.87 3ksu s LYS 220 CO 0.22 0.22 1.99 -0.84 -0.92 0.00 0.00 175.35 176.01 3ksu h ILE 221 N 1.51 0.00 0.00 2.17 3.07 -1.99 -2.96 117.51 119.31 3ksu h ILE 221 Ca -0.47 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 65.50 3ksu h ILE 221 Cb 1.18 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.14 3ksu h ILE 221 CO 0.67 0.00 0.00 -0.33 -1.05 0.00 0.00 178.15 177.44 3ksu h GLU 222 N 0.00 0.00 -0.01 0.16 3.07 -1.99 -2.26 114.58 113.55 3ksu h GLU 222 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ksu h GLU 222 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3ksu h GLU 222 CO 0.00 0.00 -0.40 -0.25 -1.40 0.00 0.00 179.01 176.96 3ksu n ASP 223 N -2.71 1.35 -0.09 1.42 8.00 -1.12 -4.48 116.55 118.91 3ksu n ASP 223 Ca 0.02 -1.08 -0.15 0.00 0.71 0.00 0.00 54.79 54.30 3ksu n ASP 223 Cb 0.35 0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 41.69 3ksu n ASP 223 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3ksu n ILE 224 N -0.54 1.05 -0.28 0.53 2.08 -0.89 -4.49 119.36 116.82 3ksu n ILE 224 Ca 0.10 -0.37 0.03 0.00 0.56 0.00 0.00 62.75 63.07 3ksu n ILE 224 Cb 0.39 -1.31 0.24 0.00 -0.75 0.00 0.00 39.64 38.21 3ksu n ILE 224 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ksu h ALA 225 N -0.18 1.50 -0.04 -1.39 0.00 -1.70 -1.82 119.26 115.62 3ksu h ALA 225 Ca -0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3ksu h ALA 225 Cb 1.58 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ksu h ALA 225 CO -0.12 0.40 -0.00 -1.00 0.00 0.00 0.00 179.25 178.52 3ksu h PRO 226 N 1.03 0.06 -0.24 0.00 0.13 -1.82 -1.89 132.00 129.27 3ksu h PRO 226 Ca 0.35 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.33 3ksu h PRO 226 Cb 0.10 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 3ksu h PRO 226 CO -0.11 0.07 -0.44 0.82 -0.23 0.00 0.00 178.00 178.10 3ksu h ILE 227 N 0.06 1.30 0.13 -3.56 2.04 -1.57 -0.93 117.51 114.98 3ksu h ILE 227 Ca 0.02 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 3ksu h ILE 227 Cb 0.05 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3ksu h ILE 227 CO 0.00 0.52 -0.06 0.40 0.00 0.00 0.00 178.15 179.01 3ksu h ILE 228 N 0.50 0.91 -0.86 -0.67 2.04 -1.20 -2.10 117.51 116.13 3ksu h ILE 228 Ca 0.03 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3ksu h ILE 228 Cb 0.97 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 3ksu h ILE 228 CO 0.09 0.04 0.45 0.50 0.00 0.00 0.00 178.15 179.23 3ksu h LYS 229 N -0.24 1.22 -0.34 2.37 3.11 -1.30 -2.96 116.57 118.44 3ksu h LYS 229 Ca -0.02 -0.16 -0.04 0.00 -2.81 0.00 0.00 60.65 57.63 3ksu h LYS 229 Cb 0.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 3ksu h LYS 229 CO 0.03 0.91 0.07 0.35 -2.81 0.00 0.00 179.45 178.00 3ksu h PHE 230 N 1.22 0.57 -0.39 1.91 3.57 -1.13 -2.96 116.94 119.72 3ksu h PHE 230 Ca 0.30 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.75 3ksu h PHE 230 Cb 0.06 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3ksu h PHE 230 CO 0.01 0.59 0.26 -0.07 -2.23 0.00 0.00 178.31 176.88 3ksu h LEU 231 N 0.39 0.38 -0.01 0.59 3.38 -1.26 0.34 115.31 119.12 3ksu h LEU 231 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ksu h LEU 231 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ksu h LEU 231 CO 0.00 0.27 0.00 0.35 0.09 0.00 0.00 178.44 179.15 3ksu n THR 232 N -4.48 0.41 0.00 0.22 -2.24 -1.13 -3.09 114.28 103.97 3ksu n THR 232 Ca 0.04 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3ksu n THR 232 Cb 0.13 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 3ksu n THR 232 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ksu n THR 233 N -2.01 0.00 0.72 4.28 -2.24 -0.64 -4.82 114.28 109.56 3ksu n THR 233 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 3ksu n THR 233 Cb 0.40 -0.01 0.48 0.00 -2.10 0.00 0.00 70.33 69.09 3ksu n THR 233 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ksu n ASP 234 N 0.00 0.47 -1.87 3.42 10.43 -1.01 -2.96 116.55 125.02 3ksu n ASP 234 Ca 0.00 0.56 0.00 0.00 2.57 0.00 0.00 54.79 57.92 3ksu n ASP 234 Cb 0.00 -0.68 0.33 0.00 1.84 0.00 0.00 41.12 42.61 3ksu n ASP 234 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ksu n GLY 235 N 1.13 3.20 0.30 0.44 0.00 0.11 -4.65 105.19 105.71 3ksu n GLY 235 Ca 0.06 -0.89 0.15 0.00 0.00 0.00 0.00 46.02 45.34 3ksu n GLY 235 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3ksu h TRP 236 N 3.08 0.00 0.00 1.61 5.08 -1.46 -1.50 115.95 122.76 3ksu h TRP 236 Ca 0.13 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.10 3ksu h TRP 236 Cb 2.07 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.23 3ksu h TRP 236 CO 1.12 0.00 0.00 2.35 -1.28 0.00 0.00 178.44 180.63 3ksu h TRP 237 N 0.00 0.00 -2.81 0.12 2.91 -1.87 -3.43 115.95 110.87 3ksu h TRP 237 Ca 0.01 0.00 -0.56 0.00 1.13 0.00 0.00 58.89 59.47 3ksu h TRP 237 Cb 0.06 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.68 3ksu h TRP 237 CO 0.00 0.00 0.96 0.42 -1.03 0.00 0.00 178.44 178.79 3ksu s ILE 238 N -3.22 4.01 -0.08 2.65 1.01 -0.57 -4.99 121.20 120.01 3ksu s ILE 238 Ca 0.08 1.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.90 3ksu s ILE 238 Cb 0.10 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.80 3ksu s ILE 238 CO 0.58 -0.10 0.20 0.21 0.00 0.00 0.00 174.94 175.83 3ksu s ASN 239 N 2.43 -0.21 0.00 3.58 2.47 -1.26 -4.85 114.94 117.10 3ksu s ASN 239 Ca 0.62 0.42 0.00 0.00 0.42 0.00 0.00 52.86 54.32 3ksu s ASN 239 Cb -0.26 0.36 0.00 0.00 -1.45 0.00 0.00 41.25 39.90 3ksu s ASN 239 CO 0.21 -0.12 0.00 0.61 -3.72 0.00 0.00 177.10 174.08 3ksu n GLY 240 N 3.64 0.69 3.93 1.21 0.00 -0.52 -4.99 105.19 109.15 3ksu n GLY 240 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 3ksu n GLY 240 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ksu s GLN 241 N -0.13 3.40 -0.25 1.61 -1.52 -1.25 -4.26 119.66 117.25 3ksu s GLN 241 Ca 0.00 -0.61 -0.03 0.00 -1.95 0.00 0.00 55.36 52.78 3ksu s GLN 241 Cb 0.00 -2.95 0.02 0.00 -0.22 0.00 0.00 33.01 29.86 3ksu s GLN 241 CO 0.00 0.53 -0.04 0.99 -0.25 0.00 0.00 175.29 176.52 3ksu s THR 242 N -1.72 3.11 -0.25 -0.19 2.01 -1.26 -0.73 115.64 116.60 3ksu s THR 242 Ca 0.34 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 3ksu s THR 242 Cb -0.11 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 3ksu s THR 242 CO 0.28 0.21 0.48 -0.63 -0.69 0.00 0.00 174.62 174.27 3ksu s ILE 243 N 1.37 5.11 -0.39 1.82 -1.09 0.34 -4.91 121.20 123.45 3ksu s ILE 243 Ca 0.01 0.81 -0.21 0.00 -2.23 0.00 0.00 60.65 59.03 3ksu s ILE 243 Cb -0.16 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.93 3ksu s ILE 243 CO -0.03 0.12 0.66 -0.36 -1.23 0.00 0.00 174.94 174.10 3ksu s PHE 244 N 2.11 3.11 -0.52 3.97 0.40 -1.26 -0.39 117.98 125.39 3ksu s PHE 244 Ca 0.20 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.78 3ksu s PHE 244 Cb -0.16 -3.26 0.13 0.00 0.51 0.00 0.00 43.02 40.24 3ksu s PHE 244 CO 0.09 -0.74 0.26 0.00 0.70 0.00 0.00 175.22 175.54 3ksu s ALA 245 N 2.82 3.31 0.00 5.36 0.00 -0.76 -4.88 121.76 127.61 3ksu s ALA 245 Ca 0.25 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 48.97 3ksu s ALA 245 Cb -0.14 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3ksu s ALA 245 CO 0.17 -2.01 0.38 0.27 0.00 0.00 0.00 175.76 174.57 3ksu n ASN 246 N 3.19 0.55 0.00 0.00 0.23 -1.26 -2.27 115.26 115.69 3ksu n ASN 246 Ca 0.05 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 3ksu n ASN 246 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3ksu n ASN 246 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ksu n GLY 247 N -0.07 0.51 1.18 4.83 0.00 -1.26 -2.81 105.19 107.57 3ksu n GLY 247 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ksu n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksu n GLY 248 N -2.11 0.73 0.21 -0.02 0.00 -1.26 -5.20 105.19 97.54 3ksu n GLY 248 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3ksu n GLY 248 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60