#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgy h LEU -4 N 0.00 0.00 -2.44 1.20 5.85 -2.08 -2.32 115.31 115.52 3kgy h LEU -4 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kgy h LEU -4 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3kgy h LEU -4 CO 0.00 0.01 0.00 -1.22 -0.34 0.00 0.00 178.44 176.89 3kgy n TYR -3 N -3.58 0.52 -0.32 1.25 4.01 -1.26 -4.68 117.16 113.10 3kgy n TYR -3 Ca -0.03 -0.33 0.24 0.00 -0.16 0.00 0.00 57.90 57.63 3kgy n TYR -3 Cb 0.10 -0.01 0.46 0.00 -0.31 0.00 0.00 39.34 39.58 3kgy n TYR -3 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kgy n PHE -2 N 1.17 0.93 0.28 -0.72 7.35 -0.87 0.04 117.46 125.63 3kgy n PHE -2 Ca 0.17 1.15 0.17 0.00 -0.76 0.00 0.00 57.45 58.17 3kgy n PHE -2 Cb 0.52 -1.42 0.73 0.00 0.35 0.00 0.00 39.48 39.66 3kgy n PHE -2 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 3kgy h GLN -1 N 0.00 0.00 -2.11 -4.13 4.20 -1.85 -3.44 115.11 107.78 3kgy h GLN -1 Ca 0.73 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 59.01 3kgy h GLN -1 Cb 1.79 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.45 3kgy h GLN -1 CO -0.81 0.05 0.51 0.41 -0.67 0.00 0.00 178.83 178.32 3kgy n GLY 0 N -0.17 3.99 3.78 3.46 0.00 0.11 -5.06 105.19 111.30 3kgy n GLY 0 Ca -0.00 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 3kgy n GLY 0 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kgy s SER 2 N 0.98 5.94 0.13 1.61 0.01 -1.26 -5.07 113.70 116.04 3kgy s SER 2 Ca 0.62 0.30 -0.19 0.00 1.31 0.00 0.00 55.95 57.98 3kgy s SER 2 Cb 0.33 -1.89 -0.07 0.00 0.21 0.00 0.00 66.02 64.60 3kgy s SER 2 CO -0.13 0.35 0.63 -0.54 0.41 0.00 0.00 173.24 173.96 3kgy s LYS 3 N -0.67 4.23 -0.35 12.44 -0.14 -1.26 -4.87 119.74 129.12 3kgy s LYS 3 Ca 0.12 0.79 -0.14 0.00 -1.36 0.00 0.00 55.97 55.38 3kgy s LYS 3 Cb -0.12 -3.10 -0.01 0.00 -1.68 0.00 0.00 37.83 32.92 3kgy s LYS 3 CO 0.02 0.54 0.32 0.08 -0.76 0.00 0.00 175.35 175.55 3kgy s VAL 4 N -1.27 5.21 0.10 3.17 1.01 -1.26 -0.63 120.40 126.73 3kgy s VAL 4 Ca 0.35 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.30 3kgy s VAL 4 Cb -0.19 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3kgy s VAL 4 CO 0.21 -0.08 -0.15 0.72 0.00 0.00 0.00 175.10 175.80 3kgy s PHE 5 N 1.90 1.40 -0.09 5.22 -0.71 -0.18 -0.48 117.98 125.04 3kgy s PHE 5 Ca 0.09 -0.50 0.01 0.00 -1.04 0.00 0.00 56.93 55.49 3kgy s PHE 5 Cb -0.17 -0.75 -0.02 0.00 -1.21 0.00 0.00 43.02 40.86 3kgy s PHE 5 CO 0.11 0.13 -0.11 0.08 -1.34 0.00 0.00 175.22 174.09 3kgy s VAL 6 N -1.68 3.30 -0.19 -2.49 1.01 -0.32 -0.83 120.40 119.20 3kgy s VAL 6 Ca 0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3kgy s VAL 6 Cb -0.08 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 34.01 3kgy s VAL 6 CO 0.03 0.56 0.10 0.21 0.00 0.00 0.00 175.10 176.00 3kgy s ASN 7 N -0.27 2.43 0.11 3.32 3.84 -1.25 -0.36 114.94 122.76 3kgy s ASN 7 Ca 0.02 -0.67 -0.00 0.00 0.21 0.00 0.00 52.86 52.42 3kgy s ASN 7 Cb -0.13 -0.22 -0.04 0.00 -0.55 0.00 0.00 41.25 40.31 3kgy s ASN 7 CO 0.03 -0.36 0.00 0.27 -2.79 0.00 0.00 177.10 174.25 3kgy s ILE 8 N 2.14 0.33 -0.16 -5.21 -5.25 -0.44 -4.98 121.20 107.63 3kgy s ILE 8 Ca 0.03 -1.89 -0.07 0.00 -0.99 0.00 0.00 60.65 57.72 3kgy s ILE 8 Cb -0.16 -1.84 -0.04 0.00 2.95 0.00 0.00 42.46 43.37 3kgy s ILE 8 CO -0.12 -0.70 0.08 -0.44 -1.79 0.00 0.00 174.94 171.97 3kgy s SER 9 N -3.03 5.85 -0.05 4.36 0.01 -1.26 -0.97 113.70 118.61 3kgy s SER 9 Ca 0.17 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.66 3kgy s SER 9 Cb 0.07 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.35 3kgy s SER 9 CO -0.03 0.25 -0.16 -0.22 0.41 0.00 0.00 173.24 173.49 3kgy s LEU 10 N -0.05 1.87 0.85 2.44 2.96 -0.09 -4.90 118.68 121.76 3kgy s LEU 10 Ca 0.08 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 3kgy s LEU 10 Cb -0.12 -0.96 0.11 0.00 0.50 0.00 0.00 46.19 45.72 3kgy s LEU 10 CO 0.01 0.13 1.14 -0.94 -1.32 0.00 0.00 176.35 175.37 3kgy s SER 11 N 0.18 3.50 0.44 3.68 1.04 -0.28 -1.10 113.70 121.16 3kgy s SER 11 Ca -0.07 2.12 0.14 0.00 0.48 0.00 0.00 55.95 58.62 3kgy s SER 11 Cb -0.13 -2.56 1.04 0.00 0.10 0.00 0.00 66.02 64.48 3kgy s SER 11 CO 0.03 -2.72 2.01 0.25 0.98 0.00 0.00 173.24 173.79 3kgy h LEU 12 N -1.46 0.33 -0.72 2.42 5.85 0.38 0.87 115.31 122.98 3kgy h LEU 12 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3kgy h LEU 12 Cb 1.26 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3kgy h LEU 12 CO 0.45 0.21 0.00 -0.90 -0.34 0.00 0.00 178.44 177.86 3kgy n ASP 13 N -4.47 1.05 0.00 1.25 5.75 -1.26 -4.93 116.55 113.94 3kgy n ASP 13 Ca 0.07 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 3kgy n ASP 13 Cb 0.30 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3kgy n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kgy n GLY 14 N 0.84 0.76 0.00 6.12 0.00 0.30 -5.02 105.19 108.19 3kgy n GLY 14 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3kgy n GLY 14 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kgy n PHE 15 N -2.72 -1.24 -1.22 1.61 3.72 -1.26 -1.66 117.46 114.69 3kgy n PHE 15 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3kgy n PHE 15 Cb 0.12 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 3kgy n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kgy n ALA 17 N -3.00 -2.78 -1.93 4.37 0.00 -1.25 -1.13 120.51 114.78 3kgy n ALA 17 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 3kgy n ALA 17 Cb 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.08 3kgy n ALA 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kgy s PRO 18 N -0.91 3.30 0.26 0.00 0.04 -1.26 -1.37 135.00 135.06 3kgy s PRO 18 Ca 0.56 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 3kgy s PRO 18 Cb -0.70 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.63 3kgy s PRO 18 CO 0.54 -0.69 1.48 -2.00 0.04 0.00 0.00 177.00 176.37 3kgy s GLU 19 N -5.18 4.23 0.00 4.56 2.12 -1.23 -4.69 118.70 118.51 3kgy s GLU 19 Ca 0.55 2.37 0.00 0.00 0.36 0.00 0.00 54.97 58.25 3kgy s GLU 19 Cb -0.11 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.19 3kgy s GLU 19 CO 0.52 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 3kgy n GLY 20 N 2.22 0.60 0.00 -1.50 0.00 -1.26 -4.56 105.19 100.69 3kgy n GLY 20 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3kgy n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kgy n ASP 22 N -0.05 0.00 0.00 1.61 5.68 -1.26 -4.52 116.55 118.01 3kgy n ASP 22 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3kgy n ASP 22 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kgy n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kgy n ALA 24 N -0.26 0.00 -0.83 2.12 0.00 -1.26 -1.18 120.51 119.11 3kgy n ALA 24 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3kgy n ALA 24 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 3kgy n ALA 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kgy n HIS 25 N 0.00 0.21 0.00 0.00 8.25 -1.26 -4.76 115.22 117.65 3kgy n HIS 25 Ca 0.00 -0.87 0.02 0.00 -0.26 0.00 0.00 57.72 56.62 3kgy n HIS 25 Cb 0.00 -0.16 0.38 0.00 1.12 0.00 0.00 29.99 31.33 3kgy n HIS 25 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3kgy h PHE 26 N 0.45 0.52 -0.11 4.41 3.57 -1.44 -0.08 116.94 124.27 3kgy h PHE 26 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kgy h PHE 26 Cb 0.99 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3kgy h PHE 26 CO 0.11 0.40 0.00 -1.13 -2.23 0.00 0.00 178.31 175.46 3kgy n SER 27 N -4.40 1.58 -3.69 0.41 3.41 -1.26 -4.47 113.62 105.20 3kgy n SER 27 Ca 0.02 -1.62 -0.28 0.00 -0.26 0.00 0.00 58.87 56.74 3kgy n SER 27 Cb 0.13 -0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 3kgy n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kgy s ASP 28 N -1.74 3.41 0.00 4.04 2.15 -0.04 -4.97 116.67 119.52 3kgy s ASP 28 Ca 0.35 -3.30 0.13 0.00 0.43 0.00 0.00 52.55 50.16 3kgy s ASP 28 Cb 0.19 -1.10 0.59 0.00 -0.30 0.00 0.00 42.92 42.30 3kgy s ASP 28 CO 0.29 -0.16 1.36 -0.81 -0.17 0.00 0.00 175.17 175.69 3kgy n PRO 29 N 2.64 0.10 0.06 4.34 -0.04 -1.26 -1.82 135.00 139.02 3kgy n PRO 29 Ca 0.20 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 3kgy n PRO 29 Cb 0.39 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.84 3kgy n PRO 29 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kgy n THR 30 N -1.39 0.40 -1.98 0.52 -2.24 -1.26 -1.07 114.28 107.26 3kgy n THR 30 Ca 0.05 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3kgy n THR 30 Cb 0.12 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 3kgy n THR 30 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kgy s TYR 31 N -3.07 1.91 -1.22 4.78 5.04 -0.76 -1.20 117.35 122.83 3kgy s TYR 31 Ca 0.11 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 3kgy s TYR 31 Cb 0.15 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 38.50 3kgy s TYR 31 CO 0.55 -3.87 0.00 1.63 -1.34 0.00 0.00 175.55 172.52 3kgy n LYS 32 N 7.29 -1.90 -2.59 4.97 5.02 -1.26 -1.32 118.16 128.36 3kgy n LYS 32 Ca 0.18 0.69 -0.15 0.00 -2.02 0.00 0.00 58.31 57.00 3kgy n LYS 32 Cb 0.43 -5.19 -0.00 0.00 -0.02 0.00 0.00 35.03 30.25 3kgy n LYS 32 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kgy n ASN 33 N -1.43 -4.24 -0.15 4.39 5.15 -0.34 -4.87 115.26 113.76 3kgy n ASN 33 Ca -0.15 0.07 -0.03 0.00 -0.60 0.00 0.00 54.58 53.86 3kgy n ASN 33 Cb 0.56 -3.57 0.18 0.00 -0.53 0.00 0.00 39.78 36.43 3kgy n ASN 33 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 3kgy h TRP 34 N -0.22 0.90 -0.64 1.20 5.08 -1.05 -2.68 115.95 118.55 3kgy h TRP 34 Ca -0.35 -0.08 -0.01 0.00 1.08 0.00 0.00 58.89 59.53 3kgy h TRP 34 Cb 1.25 -0.27 -0.03 0.00 -3.00 0.00 0.00 29.16 27.11 3kgy h TRP 34 CO 0.67 0.74 0.35 0.78 -1.28 0.00 0.00 178.44 179.70 3kgy h GLY 35 N 0.99 0.96 1.35 11.11 0.00 -1.37 0.10 103.07 116.21 3kgy h GLY 35 Ca 0.19 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3kgy h GLY 35 CO -0.01 0.42 0.09 0.00 0.00 0.00 0.00 176.54 177.05 3kgy h ALA 36 N 1.17 1.19 -0.25 3.60 0.00 -1.69 0.45 119.26 123.72 3kgy h ALA 36 Ca 0.23 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3kgy h ALA 36 Cb 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kgy h ALA 36 CO -0.04 0.55 -0.23 0.87 0.00 0.00 0.00 179.25 180.40 3kgy h LYS 37 N 0.78 0.60 -0.42 0.00 1.57 -1.13 -1.53 116.57 116.44 3kgy h LYS 37 Ca 0.17 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kgy h LYS 37 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3kgy h LYS 37 CO 0.00 0.90 0.27 2.35 -0.57 0.00 0.00 179.45 182.40 3kgy h TRP 38 N 0.32 0.55 -0.84 -1.35 2.91 -0.84 -1.99 115.95 114.71 3kgy h TRP 38 Ca 0.04 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.09 3kgy h TRP 38 Cb 0.78 -0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 29.20 3kgy h TRP 38 CO 0.07 0.37 0.55 0.78 -1.03 0.00 0.00 178.44 179.18 3kgy h GLY 39 N 0.57 1.19 1.25 2.65 0.00 -0.77 -1.92 103.07 106.04 3kgy h GLY 39 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3kgy h GLY 39 CO -0.03 0.39 0.48 0.00 0.00 0.00 0.00 176.54 177.38 3kgy h ALA 40 N 1.32 1.43 0.00 3.60 0.00 -0.99 -0.91 119.26 123.71 3kgy h ALA 40 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kgy h ALA 40 Cb -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3kgy h ALA 40 CO -0.09 0.51 0.00 -0.11 0.00 0.00 0.00 179.25 179.57 3kgy n LEU 41 N -4.41 0.16 0.00 0.00 7.94 -0.72 -4.67 117.00 115.31 3kgy n LEU 41 Ca 0.08 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3kgy n LEU 41 Cb 0.05 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 43.91 3kgy n LEU 41 CO 0.37 0.04 0.00 0.00 -1.11 0.00 0.00 177.39 176.69 3kgy n ALA 43 N -0.19 0.00 -0.28 1.96 0.00 -0.35 -4.85 120.51 116.79 3kgy n ALA 43 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kgy n ALA 43 Cb 0.04 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.62 3kgy n ALA 43 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3kgy h TRP 44 N 0.00 0.89 -0.16 0.00 5.08 -1.87 -2.13 115.95 117.77 3kgy h TRP 44 Ca 0.00 0.03 -0.10 0.00 1.08 0.00 0.00 58.89 59.89 3kgy h TRP 44 Cb 0.00 -0.29 0.00 0.00 -3.00 0.00 0.00 29.16 25.87 3kgy h TRP 44 CO 0.00 0.45 -0.30 0.00 -1.28 0.00 0.00 178.44 177.31 3kgy h ALA 45 N 1.38 0.25 0.00 0.11 0.00 -1.98 -3.07 119.26 115.95 3kgy h ALA 45 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kgy h ALA 45 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kgy h ALA 45 CO -0.17 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.63 3kgy n LEU 46 N -4.38 0.33 0.08 0.00 4.77 -1.09 -1.78 117.00 114.94 3kgy n LEU 46 Ca -0.06 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3kgy n LEU 46 Cb 0.47 -0.54 0.31 0.00 -2.33 0.00 0.00 43.42 41.34 3kgy n LEU 46 CO 0.43 -0.41 0.67 -1.20 -1.33 0.00 0.00 177.39 175.55 3kgy n SER 47 N -1.86 0.75 -4.70 -1.43 7.64 -0.82 -4.70 113.62 108.50 3kgy n SER 47 Ca 0.03 0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.87 3kgy n SER 47 Cb 0.20 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.97 3kgy n SER 47 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3kgy s GLN 48 N -3.12 4.49 0.22 1.43 -1.52 -0.73 -0.85 119.66 119.58 3kgy s GLN 48 Ca 0.09 1.50 -0.08 0.00 -1.95 0.00 0.00 55.36 54.92 3kgy s GLN 48 Cb 0.13 -3.47 0.34 0.00 -0.22 0.00 0.00 33.01 29.80 3kgy s GLN 48 CO 0.65 -0.18 1.71 0.37 -0.25 0.00 0.00 175.29 177.59 3kgy h GLN 49 N 6.93 0.29 -0.65 2.91 4.15 -1.29 -0.67 115.11 126.78 3kgy h GLN 49 Ca -0.38 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.01 3kgy h GLN 49 Cb 1.20 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.79 3kgy h GLN 49 CO 0.80 0.19 0.38 -0.92 -1.93 0.00 0.00 178.83 177.35 3kgy h TYR 50 N 0.30 0.87 -0.05 3.99 3.20 -1.88 -1.14 116.97 122.27 3kgy h TYR 50 Ca 0.35 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.03 3kgy h TYR 50 Cb 0.52 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3kgy h TYR 50 CO -0.23 0.61 -0.73 1.25 -1.64 0.00 0.00 178.16 177.42 3kgy h LEU 51 N 0.89 0.33 -0.83 2.82 6.46 -1.68 -0.30 115.31 122.99 3kgy h LEU 51 Ca 0.23 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 3kgy h LEU 51 Cb 0.00 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 3kgy h LEU 51 CO -0.04 0.94 0.39 0.03 -0.62 0.00 0.00 178.44 179.14 3kgy h ARG 52 N 0.18 1.19 0.01 1.25 3.08 -0.91 0.37 114.38 119.56 3kgy h ARG 52 Ca -0.03 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3kgy h ARG 52 Cb 1.29 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3kgy h ARG 52 CO 0.12 0.92 -0.01 1.49 -1.07 0.00 0.00 179.97 181.42 3kgy h GLU 53 N 1.18 -0.02 -0.85 0.04 4.22 -1.08 0.65 114.58 118.71 3kgy h GLU 53 Ca 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.70 3kgy h GLU 53 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3kgy h GLU 53 CO -0.03 0.52 0.42 -0.22 -2.18 0.00 0.00 179.01 177.52 3kgy h LYS 54 N -0.57 1.22 -0.01 1.92 1.63 -0.94 -2.45 116.57 117.36 3kgy h LYS 54 Ca -0.00 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3kgy h LYS 54 Cb 0.55 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3kgy h LYS 54 CO 0.00 0.93 -0.06 1.28 -3.45 0.00 0.00 179.45 178.15 3kgy n LEU 55 N -4.32 1.36 -3.60 5.20 4.77 0.11 -4.96 117.00 115.57 3kgy n LEU 55 Ca 0.08 -0.43 -0.24 0.00 -0.03 0.00 0.00 56.01 55.40 3kgy n LEU 55 Cb 0.13 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 3kgy n LEU 55 CO 0.40 0.23 0.23 0.29 -1.33 0.00 0.00 177.39 177.20 3kgy n LYS 56 N -0.05 -7.73 0.10 3.23 5.02 -0.64 -4.91 118.16 113.18 3kgy n LYS 56 Ca 0.17 0.82 -0.00 0.00 -2.02 0.00 0.00 58.31 57.28 3kgy n LYS 56 Cb 0.35 -5.86 -0.03 0.00 -0.02 0.00 0.00 35.03 29.47 3kgy n LYS 56 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kgy h LEU 57 N -2.60 0.00 0.00 -0.35 3.38 -1.18 -3.50 115.31 111.06 3kgy h LEU 57 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3kgy h LEU 57 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3kgy h LEU 57 CO 0.56 0.63 0.00 0.61 0.09 0.00 0.00 178.44 180.33 3kgy n GLY 58 N 1.28 -0.63 3.97 0.83 0.00 -1.24 -5.09 105.19 104.31 3kgy n GLY 58 Ca -0.01 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 3kgy n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kgy s THR 59 N -2.41 2.01 0.00 2.61 -4.23 -1.26 -4.23 115.64 108.13 3kgy s THR 59 Ca 0.00 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3kgy s THR 59 Cb 0.00 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.60 3kgy s THR 59 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3kgy n GLY 60 N -1.98 -1.31 0.00 3.99 0.00 -1.26 -5.06 105.19 99.57 3kgy n GLY 60 Ca 0.07 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3kgy n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 61 N 0.00 2.27 3.79 -0.02 0.00 -1.26 -4.23 105.19 105.74 3kgy n GLY 61 Ca 0.00 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 3kgy n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgy s GLU 62 N -1.88 3.87 0.32 1.61 2.02 -0.03 -4.52 118.70 120.09 3kgy s GLU 62 Ca 0.00 1.44 0.06 0.00 0.02 0.00 0.00 54.97 56.49 3kgy s GLU 62 Cb 0.00 -2.23 -0.06 0.00 0.10 0.00 0.00 34.13 31.94 3kgy s GLU 62 CO 0.00 -0.39 -0.01 0.95 0.02 0.00 0.00 175.26 175.84 3kgy s THR 63 N -1.86 1.56 -0.92 3.63 -4.23 -1.26 -1.10 115.64 111.46 3kgy s THR 63 Ca 0.65 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3kgy s THR 63 Cb -0.19 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 70.97 3kgy s THR 63 CO 0.23 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3kgy n GLY 64 N -0.69 0.41 0.35 3.99 0.00 -1.26 -4.74 105.19 103.25 3kgy n GLY 64 Ca -0.04 -2.24 0.07 0.00 0.00 0.00 0.00 46.02 43.80 3kgy n GLY 64 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kgy h PRO 65 N 8.78 0.76 -0.41 1.61 0.11 -1.99 -0.67 132.00 140.19 3kgy h PRO 65 Ca 0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.95 3kgy h PRO 65 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 3kgy h PRO 65 CO 0.00 0.50 -0.20 0.28 -0.21 0.00 0.00 178.00 178.37 3kgy h VAL 66 N 0.78 1.28 -0.58 3.15 2.07 -1.97 -2.81 116.25 118.17 3kgy h VAL 66 Ca 0.33 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 3kgy h VAL 66 Cb 0.28 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3kgy h VAL 66 CO -0.11 0.45 0.04 -1.13 0.02 0.00 0.00 177.57 176.84 3kgy h ASN 67 N 0.68 0.93 0.00 0.57 -1.24 -1.55 -1.05 115.58 113.92 3kgy h ASN 67 Ca 0.09 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.87 3kgy h ASN 67 Cb 0.76 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.56 3kgy h ASN 67 CO 0.06 0.96 0.00 0.47 -1.29 0.00 0.00 177.43 177.63 3kgy n ASP 68 N -4.21 0.59 0.00 1.15 8.00 -0.37 -1.82 116.55 119.90 3kgy n ASP 68 Ca 0.03 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3kgy n ASP 68 Cb 0.31 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3kgy n ASP 68 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kgy n VAL 70 N 0.74 0.00 -0.05 2.53 0.31 -0.40 -1.74 118.33 119.72 3kgy n VAL 70 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3kgy n VAL 70 Cb 0.10 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.97 3kgy n VAL 70 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3kgy h ARG 71 N 0.00 0.27 -0.94 5.55 2.43 -1.63 -2.43 114.38 117.64 3kgy h ARG 71 Ca 0.00 -0.11 0.14 0.00 -0.81 0.00 0.00 59.98 59.20 3kgy h ARG 71 Cb 0.00 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.45 3kgy h ARG 71 CO 0.00 0.58 0.56 1.25 -1.51 0.00 0.00 179.97 180.85 3kgy h HIS 72 N -0.05 1.00 -0.81 2.20 2.76 -1.61 0.14 115.15 118.78 3kgy h HIS 72 Ca 0.03 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3kgy h HIS 72 Cb 0.49 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 3kgy h HIS 72 CO 0.06 0.33 0.49 1.15 -1.30 0.00 0.00 177.93 178.66 3kgy h THR 73 N 0.83 1.22 -0.01 6.26 2.02 -1.78 -0.39 112.91 121.07 3kgy h THR 73 Ca 0.49 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kgy h THR 73 Cb 0.59 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3kgy h THR 73 CO -0.31 0.23 -0.00 0.15 0.37 0.00 0.00 175.52 175.96 3kgy h PHE 74 N 1.10 0.02 0.00 3.16 3.57 -0.79 -3.31 116.94 120.70 3kgy h PHE 74 Ca 0.29 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 3kgy h PHE 74 Cb -0.05 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3kgy h PHE 74 CO -0.01 0.46 -0.28 0.93 -2.23 0.00 0.00 178.31 177.19 3kgy h GLU 75 N -0.43 0.00 0.00 1.11 5.08 -0.55 -2.70 114.58 117.09 3kgy h GLU 75 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kgy h GLU 75 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3kgy h GLU 75 CO 0.00 0.28 0.00 2.89 -1.00 0.00 0.00 179.01 181.18 3kgy n ARG 76 N -4.01 0.17 -3.32 2.33 1.85 -0.18 -4.83 116.66 108.68 3kgy n ARG 76 Ca -0.02 0.18 -0.39 0.00 -1.00 0.00 0.00 57.85 56.63 3kgy n ARG 76 Cb 0.34 -1.71 -0.07 0.00 -1.05 0.00 0.00 32.46 29.98 3kgy n ARG 76 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3kgy s THR 77 N -3.09 5.15 -0.55 8.89 2.01 -1.02 -0.63 115.64 126.41 3kgy s THR 77 Ca 0.11 0.85 0.18 0.00 0.31 0.00 0.00 61.69 63.13 3kgy s THR 77 Cb 0.14 -3.79 -0.23 0.00 0.01 0.00 0.00 72.50 68.63 3kgy s THR 77 CO 0.54 0.22 0.63 0.61 -0.69 0.00 0.00 174.62 175.93 3kgy n GLY 78 N 3.84 -0.75 3.55 4.40 0.00 0.11 -4.82 105.19 111.52 3kgy n GLY 78 Ca -0.07 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 3kgy n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgy s ALA 79 N -2.91 -1.84 0.10 4.61 0.00 -1.17 -4.32 121.76 116.24 3kgy s ALA 79 Ca 0.02 1.49 0.10 0.00 0.00 0.00 0.00 51.96 53.58 3kgy s ALA 79 Cb 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3kgy s ALA 79 CO 0.75 -0.34 -0.27 -1.01 0.00 0.00 0.00 175.76 174.89 3kgy s HIS 80 N -0.97 2.32 0.18 0.00 0.09 -0.87 -1.37 115.29 114.67 3kgy s HIS 80 Ca -0.06 -0.39 0.08 0.00 -0.00 0.00 0.00 55.06 54.69 3kgy s HIS 80 Cb -0.01 -1.29 -0.04 0.00 -0.00 0.00 0.00 32.58 31.23 3kgy s HIS 80 CO 0.06 0.28 -0.16 0.42 -0.00 0.00 0.00 174.74 175.33 3kgy s ILE 81 N -0.99 1.74 0.45 0.60 1.01 0.21 -0.94 121.20 123.29 3kgy s ILE 81 Ca 0.13 -2.01 0.07 0.00 0.00 0.00 0.00 60.65 58.85 3kgy s ILE 81 Cb -0.10 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3kgy s ILE 81 CO 0.05 -0.43 0.30 -0.83 0.00 0.00 0.00 174.94 174.02 3kgy s GLY 83 N -2.88 2.31 0.23 6.18 0.00 0.59 -0.38 107.32 113.36 3kgy s GLY 83 Ca 0.17 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3kgy s GLY 83 CO 0.06 -1.86 1.57 1.70 0.00 0.00 0.00 173.10 174.57 3kgy h LYS 84 N 1.12 0.40 -1.46 2.90 1.63 -1.88 -1.48 116.57 117.80 3kgy h LYS 84 Ca -0.41 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.15 3kgy h LYS 84 Cb 1.27 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 3kgy h LYS 84 CO 0.63 0.82 0.00 0.54 -3.45 0.00 0.00 179.45 177.99 3kgy n ARG 85 N -3.95 0.40 0.00 1.90 5.12 -1.26 -0.57 116.66 118.30 3kgy n ARG 85 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3kgy n ARG 85 Cb 0.57 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 3kgy n ARG 85 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3kgy n PHE 87 N 0.74 0.00 -0.27 -1.55 7.35 -0.56 -1.86 117.46 121.31 3kgy n PHE 87 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 3kgy n PHE 87 Cb 0.19 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.08 3kgy n PHE 87 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kgy h GLU 88 N 0.00 1.06 -0.78 -4.13 5.08 -1.11 0.27 114.58 114.96 3kgy h GLU 88 Ca 0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3kgy h GLU 88 Cb 0.00 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 3kgy h GLU 88 CO 0.00 0.82 0.49 0.78 -1.00 0.00 0.00 179.01 180.10 3kgy h GLY 89 N 1.04 1.13 1.80 -3.84 0.00 -1.62 -3.00 103.07 98.57 3kgy h GLY 89 Ca 0.26 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 3kgy h GLY 89 CO -0.03 0.44 -0.77 -1.33 0.00 0.00 0.00 176.54 174.85 3kgy h GLY 90 N 1.07 0.21 0.78 4.60 0.00 -1.66 0.32 103.07 108.39 3kgy h GLY 90 Ca 0.28 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.40 3kgy h GLY 90 CO -0.06 0.29 0.52 -2.09 0.00 0.00 0.00 176.54 175.20 3kgy h GLU 91 N 0.12 0.67 0.06 4.80 4.81 -0.38 0.25 114.58 124.90 3kgy h GLU 91 Ca -0.03 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 3kgy h GLU 91 Cb 1.35 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3kgy h GLU 91 CO 0.12 0.45 -0.92 0.00 -0.73 0.00 0.00 179.01 177.92 3kgy h ARG 92 N 0.69 0.13 0.00 1.92 2.47 -1.38 -3.42 114.38 114.80 3kgy h ARG 92 Ca 0.38 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3kgy h ARG 92 Cb 0.52 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3kgy h ARG 92 CO -0.15 1.10 -0.77 0.41 0.56 0.00 0.00 179.97 181.13 3kgy n GLY 93 N 1.62 -1.17 3.87 0.04 0.00 0.11 -4.92 105.19 104.75 3kgy n GLY 93 Ca -0.21 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3kgy n GLY 93 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kgy s TRP 94 N -3.04 3.44 0.95 1.61 0.51 0.83 -4.98 118.94 118.25 3kgy s TRP 94 Ca 0.08 0.96 -0.12 0.00 -2.12 0.00 0.00 56.10 54.90 3kgy s TRP 94 Cb 0.16 -2.35 0.16 0.00 -0.81 0.00 0.00 33.47 30.63 3kgy s TRP 94 CO 0.77 0.09 1.09 -1.25 -0.51 0.00 0.00 176.95 177.14 3kgy s PRO 95 N -3.34 0.85 0.23 4.98 0.04 -1.26 -4.91 135.00 131.58 3kgy s PRO 95 Ca 0.49 0.68 -0.07 0.00 0.04 0.00 0.00 61.00 62.15 3kgy s PRO 95 Cb -0.11 -1.77 0.37 0.00 0.04 0.00 0.00 34.50 33.03 3kgy s PRO 95 CO 0.25 -2.48 1.74 1.49 0.04 0.00 0.00 177.00 178.04 3kgy h GLU 96 N -1.72 0.43 -6.10 4.56 4.81 -1.98 -3.09 114.58 111.49 3kgy h GLU 96 Ca -0.52 -0.03 -0.54 0.00 -0.13 0.00 0.00 59.36 58.15 3kgy h GLU 96 Cb 1.31 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.50 3kgy h GLU 96 CO 0.56 0.28 1.29 -2.00 -0.73 0.00 0.00 179.01 178.41 3kgy s GLU 97 N -6.06 3.30 0.55 1.92 2.12 -1.26 -4.13 118.70 115.14 3kgy s GLU 97 Ca -0.13 -0.72 -0.22 0.00 0.36 0.00 0.00 54.97 54.27 3kgy s GLU 97 Cb 0.19 -5.01 -0.05 0.00 0.26 0.00 0.00 34.13 29.52 3kgy s GLU 97 CO 0.76 -2.40 1.37 0.00 -0.54 0.00 0.00 175.26 174.45 3kgy s ALA 98 N 6.10 2.83 -0.28 6.30 0.00 -1.17 -4.87 121.76 130.67 3kgy s ALA 98 Ca 0.48 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 3kgy s ALA 98 Cb -0.03 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.61 3kgy s ALA 98 CO -0.02 -1.41 2.37 -0.35 0.00 0.00 0.00 175.76 176.35 3kgy n PRO 99 N -1.02 1.88 -0.02 0.00 -0.04 -1.26 -4.09 135.00 130.45 3kgy n PRO 99 Ca 0.10 -1.53 -0.04 0.00 -0.04 0.00 0.00 63.50 61.99 3kgy n PRO 99 Cb 0.45 -1.71 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 3kgy n PRO 99 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kgy n PHE 100 N 0.83 0.00 -2.08 0.54 3.72 -1.26 -5.03 117.46 114.18 3kgy n PHE 100 Ca 0.33 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.55 3kgy n PHE 100 Cb 0.59 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 3kgy n PHE 100 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kgy n HIS 101 N -3.27 -0.58 -4.14 1.38 8.25 -1.26 -4.97 115.22 110.64 3kgy n HIS 101 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 3kgy n HIS 101 Cb 0.50 -3.37 -0.08 0.00 1.12 0.00 0.00 29.99 28.16 3kgy n HIS 101 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kgy s THR 102 N -2.81 0.00 0.42 1.59 -4.23 -1.00 -4.72 115.64 104.89 3kgy s THR 102 Ca 0.00 -1.80 -0.27 0.00 -1.18 0.00 0.00 61.69 58.45 3kgy s THR 102 Cb 0.00 -2.42 -0.10 0.00 1.34 0.00 0.00 72.50 71.32 3kgy s THR 102 CO 0.00 0.00 1.47 -2.84 -0.54 0.00 0.00 174.62 172.71 3kgy s PRO 103 N -3.99 3.88 -0.08 3.99 0.02 -1.26 -3.45 135.00 134.10 3kgy s PRO 103 Ca 0.34 2.52 0.01 0.00 0.02 0.00 0.00 61.00 63.89 3kgy s PRO 103 Cb 0.04 -2.80 0.02 0.00 0.02 0.00 0.00 34.50 31.77 3kgy s PRO 103 CO 0.13 -0.70 -0.11 0.08 -0.33 0.00 0.00 177.00 176.07 3kgy s VAL 104 N -1.16 1.12 -0.31 3.83 1.01 -0.03 -2.04 120.40 122.82 3kgy s VAL 104 Ca 0.57 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 3kgy s VAL 104 Cb -0.46 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3kgy s VAL 104 CO 0.60 0.36 0.14 -0.31 0.00 0.00 0.00 175.10 175.90 3kgy s TYR 105 N 1.04 3.18 -0.31 5.22 2.02 -0.11 -0.19 117.35 128.19 3kgy s TYR 105 Ca -0.07 -0.67 -0.10 0.00 -0.37 0.00 0.00 57.07 55.86 3kgy s TYR 105 Cb -0.15 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 3kgy s TYR 105 CO -0.01 -0.49 0.15 0.08 -1.57 0.00 0.00 175.55 173.72 3kgy s VAL 106 N 1.59 4.60 -0.19 0.71 1.01 0.68 -4.29 120.40 124.51 3kgy s VAL 106 Ca 0.04 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3kgy s VAL 106 Cb -0.17 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3kgy s VAL 106 CO 0.06 0.06 1.09 -0.76 0.00 0.00 0.00 175.10 175.54 3kgy s LEU 107 N 1.61 4.14 0.03 3.92 1.43 -1.26 -0.75 118.68 127.80 3kgy s LEU 107 Ca 0.05 1.48 -0.25 0.00 -1.03 0.00 0.00 54.13 54.38 3kgy s LEU 107 Cb -0.17 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.57 3kgy s LEU 107 CO 0.06 -0.66 0.58 0.28 0.23 0.00 0.00 176.35 176.85 3kgy s THR 108 N 3.08 0.02 -0.76 5.49 -1.32 -0.81 -3.05 115.64 118.29 3kgy s THR 108 Ca 0.47 -0.13 0.26 0.00 -1.21 0.00 0.00 61.69 61.09 3kgy s THR 108 Cb -0.17 -0.97 0.28 0.00 -1.51 0.00 0.00 72.50 70.13 3kgy s THR 108 CO 0.10 -0.07 1.79 1.41 -2.21 0.00 0.00 174.62 175.64 3kgy n HIS 109 N 0.51 0.85 -2.46 9.09 8.25 -1.26 -3.96 115.22 126.24 3kgy n HIS 109 Ca -0.18 0.25 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 3kgy n HIS 109 Cb 0.60 -0.90 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 3kgy n HIS 109 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3kgy s GLU 110 N -3.09 4.46 -0.30 -0.41 2.12 -1.26 -4.99 118.70 115.22 3kgy s GLU 110 Ca 0.11 1.73 -0.27 0.00 0.36 0.00 0.00 54.97 56.89 3kgy s GLU 110 Cb 0.13 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 31.18 3kgy s GLU 110 CO 0.59 -0.20 0.99 1.03 -0.54 0.00 0.00 175.26 177.12 3kgy s ARG 111 N 0.91 4.06 -0.12 4.30 3.00 -1.26 -4.86 118.95 124.99 3kgy s ARG 111 Ca 0.57 0.97 -0.15 0.00 0.00 0.00 0.00 55.73 57.12 3kgy s ARG 111 Cb -0.29 -3.72 0.04 0.00 0.00 0.00 0.00 34.95 30.98 3kgy s ARG 111 CO 0.30 -0.80 0.40 0.50 0.00 0.00 0.00 175.30 175.70 3kgy s ARG 112 N 3.38 0.54 0.64 3.54 3.52 -1.26 -5.16 118.95 124.15 3kgy s ARG 112 Ca 0.41 0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 56.30 3kgy s ARG 112 Cb -0.13 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.50 3kgy s ARG 112 CO 0.13 -0.09 1.05 -0.80 -0.81 0.00 0.00 175.30 174.78 3kgy s ASN 113 N -0.13 5.63 0.75 -2.12 0.01 -1.26 -4.40 114.94 113.42 3kgy s ASN 113 Ca -0.03 1.70 -0.15 0.00 -0.71 0.00 0.00 52.86 53.67 3kgy s ASN 113 Cb -0.03 -2.51 0.05 0.00 0.41 0.00 0.00 41.25 39.17 3kgy s ASN 113 CO 0.02 -1.27 1.24 -2.84 -1.51 0.00 0.00 177.10 172.74 3kgy s PRO 114 N -4.58 1.96 -0.26 -0.60 0.02 -1.26 -4.80 135.00 125.48 3kgy s PRO 114 Ca 0.60 1.89 0.03 0.00 0.02 0.00 0.00 61.00 63.54 3kgy s PRO 114 Cb -0.15 -1.80 0.06 0.00 0.02 0.00 0.00 34.50 32.64 3kgy s PRO 114 CO 0.46 -2.01 -0.11 -0.46 -0.33 0.00 0.00 177.00 174.55 3kgy s TRP 115 N -1.85 3.24 -0.00 6.54 -0.00 0.02 -4.96 118.94 121.93 3kgy s TRP 115 Ca 0.77 -2.30 -0.23 0.00 -0.00 0.00 0.00 56.10 54.34 3kgy s TRP 115 Cb -0.32 -1.92 -0.05 0.00 -0.00 0.00 0.00 33.47 31.18 3kgy s TRP 115 CO 0.47 -0.88 0.69 0.08 -0.00 0.00 0.00 176.95 177.31 3kgy s VAL 116 N 1.11 4.88 0.10 5.86 1.01 -1.26 -0.85 120.40 131.25 3kgy s VAL 116 Ca -0.09 1.45 0.10 0.00 0.00 0.00 0.00 61.98 63.45 3kgy s VAL 116 Cb -0.20 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3kgy s VAL 116 CO -0.05 0.35 -0.25 -0.13 0.00 0.00 0.00 175.10 175.01 3kgy s ARG 117 N 0.16 1.43 0.54 2.72 1.81 0.24 -5.01 118.95 120.84 3kgy s ARG 117 Ca 0.36 -1.24 -0.22 0.00 -1.72 0.00 0.00 55.73 52.91 3kgy s ARG 117 Cb -0.19 -1.80 -0.06 0.00 -0.45 0.00 0.00 34.95 32.45 3kgy s ARG 117 CO 0.20 0.44 1.27 -0.35 -0.68 0.00 0.00 175.30 176.17 3kgy n PRO 118 N 1.17 1.56 -0.25 3.54 -0.04 -1.26 -3.45 135.00 136.28 3kgy n PRO 118 Ca -0.18 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3kgy n PRO 118 Cb 0.53 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3kgy n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kgy n GLY 119 N 0.87 0.87 1.50 0.55 0.00 -1.26 -3.91 105.19 103.80 3kgy n GLY 119 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kgy n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 120 N -2.25 0.71 3.41 -0.02 0.00 -1.22 -4.39 105.19 101.43 3kgy n GLY 120 Ca 0.00 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 3kgy n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kgy s THR 121 N -2.00 3.43 -0.09 2.61 2.01 -1.22 -2.36 115.64 118.01 3kgy s THR 121 Ca 0.00 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.51 3kgy s THR 121 Cb 0.00 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 70.03 3kgy s THR 121 CO 0.00 0.49 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.38 3kgy s THR 122 N 0.57 1.42 -0.14 -0.82 2.01 -1.22 -0.59 115.64 116.86 3kgy s THR 122 Ca -0.05 -0.62 -0.20 0.00 0.31 0.00 0.00 61.69 61.13 3kgy s THR 122 Cb -0.15 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3kgy s THR 122 CO 0.03 0.42 0.55 -0.36 -0.69 0.00 0.00 174.62 174.58 3kgy s PHE 123 N 0.80 3.46 -0.10 4.92 0.08 -0.03 -0.85 117.98 126.27 3kgy s PHE 123 Ca -0.11 0.93 0.02 0.00 0.12 0.00 0.00 56.93 57.89 3kgy s PHE 123 Cb -0.16 -2.67 -0.02 0.00 -0.57 0.00 0.00 43.02 39.61 3kgy s PHE 123 CO 0.02 0.03 -0.15 0.71 -0.10 0.00 0.00 175.22 175.72 3kgy s TYR 124 N 1.13 2.73 -0.40 0.36 2.02 0.74 -0.80 117.35 123.13 3kgy s TYR 124 Ca 0.28 -0.56 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 3kgy s TYR 124 Cb -0.16 -1.76 0.03 0.00 -0.40 0.00 0.00 41.96 39.68 3kgy s TYR 124 CO 0.11 -0.13 0.26 -0.06 -1.57 0.00 0.00 175.55 174.17 3kgy s PHE 125 N 0.03 3.25 -0.26 2.71 0.08 -1.26 -0.23 117.98 122.29 3kgy s PHE 125 Ca -0.05 -0.84 -0.11 0.00 0.12 0.00 0.00 56.93 56.05 3kgy s PHE 125 Cb -0.15 -2.58 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 3kgy s PHE 125 CO 0.04 -0.65 0.19 0.08 -0.10 0.00 0.00 175.22 174.79 3kgy s VAL 126 N 1.61 5.33 -1.28 -0.44 1.01 0.07 -4.75 120.40 121.94 3kgy s VAL 126 Ca 0.03 0.21 0.14 0.00 0.00 0.00 0.00 61.98 62.36 3kgy s VAL 126 Cb -0.20 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 3kgy s VAL 126 CO 0.08 0.30 0.78 0.59 0.00 0.00 0.00 175.10 176.84 3kgy n ASN 127 N 4.65 1.49 -1.05 3.32 5.03 -1.25 -1.92 115.26 125.52 3kgy n ASN 127 Ca -0.14 -1.24 0.01 0.00 0.87 0.00 0.00 54.58 54.08 3kgy n ASN 127 Cb 0.52 0.47 0.22 0.00 -1.02 0.00 0.00 39.78 39.97 3kgy n ASN 127 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3kgy n ASP 128 N -0.17 3.16 0.00 6.41 5.75 -1.26 -4.91 116.55 125.54 3kgy n ASP 128 Ca 0.06 -3.41 0.00 0.00 -0.01 0.00 0.00 54.79 51.43 3kgy n ASP 128 Cb 0.29 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 3kgy n ASP 128 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kgy n GLY 129 N -0.86 1.00 0.26 6.12 0.00 -1.26 -4.46 105.19 105.98 3kgy n GLY 129 Ca 0.29 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 3kgy n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kgy h PRO 130 N 0.00 0.47 -0.64 1.61 0.13 -1.98 -1.66 132.00 129.94 3kgy h PRO 130 Ca 0.00 -0.12 -0.07 0.00 -0.87 0.00 0.00 66.00 64.93 3kgy h PRO 130 Cb 0.00 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.05 3kgy h PRO 130 CO 0.00 0.58 0.12 0.93 -0.23 0.00 0.00 178.00 179.39 3kgy h GLU 131 N 0.44 1.05 -0.52 0.86 5.08 -1.99 -1.12 114.58 118.38 3kgy h GLU 131 Ca 0.09 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 3kgy h GLU 131 Cb 0.45 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3kgy h GLU 131 CO 0.02 0.96 -0.04 1.96 -1.00 0.00 0.00 179.01 180.92 3kgy h GLN 132 N 0.96 0.94 -0.85 2.33 1.08 -1.68 -0.33 115.11 117.55 3kgy h GLN 132 Ca 0.20 -0.32 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3kgy h GLN 132 Cb 0.41 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 3kgy h GLN 132 CO 0.01 0.97 0.57 0.00 -0.95 0.00 0.00 178.83 179.43 3kgy h ALA 133 N 0.93 1.08 -0.37 3.87 0.00 -1.20 -2.14 119.26 121.43 3kgy h ALA 133 Ca 0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3kgy h ALA 133 Cb 0.58 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kgy h ALA 133 CO 0.03 0.48 -0.39 1.25 0.00 0.00 0.00 179.25 180.62 3kgy h LEU 134 N 1.15 0.98 -0.64 0.00 5.85 -0.87 0.28 115.31 122.06 3kgy h LEU 134 Ca 0.31 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3kgy h LEU 134 Cb -0.13 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.58 3kgy h LEU 134 CO -0.07 1.25 0.39 0.00 -0.34 0.00 0.00 178.44 179.67 3kgy h ALA 135 N 0.79 0.85 -0.23 1.25 0.00 -0.88 0.12 119.26 121.15 3kgy h ALA 135 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kgy h ALA 135 Cb 0.99 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3kgy h ALA 135 CO 0.10 0.12 0.06 -0.07 0.00 0.00 0.00 179.25 179.46 3kgy h LEU 136 N 0.75 0.34 -0.85 0.00 3.38 -1.17 -2.21 115.31 115.56 3kgy h LEU 136 Ca 0.27 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kgy h LEU 136 Cb 0.07 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3kgy h LEU 136 CO -0.13 0.47 0.53 0.00 0.09 0.00 0.00 178.44 179.41 3kgy h ALA 137 N 0.88 1.08 -0.56 1.53 0.00 -0.61 -1.21 119.26 120.38 3kgy h ALA 137 Ca 0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kgy h ALA 137 Cb 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kgy h ALA 137 CO -0.00 0.52 0.07 -0.09 0.00 0.00 0.00 179.25 179.75 3kgy h ARG 138 N 1.16 0.93 -0.66 0.00 2.43 -0.70 0.79 114.38 118.33 3kgy h ARG 138 Ca 0.31 -0.26 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3kgy h ARG 138 Cb -0.08 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 3kgy h ARG 138 CO -0.06 0.91 0.40 1.49 -1.51 0.00 0.00 179.97 181.19 3kgy h GLU 139 N 0.82 0.75 0.00 0.20 4.81 -1.11 -2.95 114.58 117.10 3kgy h GLU 139 Ca 0.17 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3kgy h GLU 139 Cb 0.44 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3kgy h GLU 139 CO 0.01 0.50 -0.62 0.00 -0.73 0.00 0.00 179.01 178.17 3kgy h ALA 140 N 1.30 0.87 0.00 2.92 0.00 -0.82 -3.30 119.26 120.23 3kgy h ALA 140 Ca 0.27 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3kgy h ALA 140 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kgy h ALA 140 CO -0.12 0.77 -0.34 0.00 0.00 0.00 0.00 179.25 179.56 3kgy h ALA 141 N 1.38 0.85 -0.90 0.00 0.00 -0.67 -3.46 119.26 116.45 3kgy h ALA 141 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kgy h ALA 141 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kgy h ALA 141 CO 0.08 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3kgy n GLY 142 N 0.79 3.75 0.03 0.00 0.00 -1.21 -1.61 105.19 106.94 3kgy n GLY 142 Ca 0.01 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.14 3kgy n GLY 142 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kgy n GLU 143 N 13.81 0.08 -2.51 1.61 1.02 -1.26 -4.71 120.64 128.68 3kgy n GLU 143 Ca 0.00 0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.97 3kgy n GLU 143 Cb 0.00 -1.59 0.08 0.00 -0.02 0.00 0.00 31.44 29.91 3kgy n GLU 143 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kgy s ARG 144 N -3.03 1.96 0.56 3.49 0.52 -0.63 -4.82 118.95 116.99 3kgy s ARG 144 Ca 0.13 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 3kgy s ARG 144 Cb 0.17 -2.33 0.04 0.00 0.52 0.00 0.00 34.95 33.35 3kgy s ARG 144 CO 0.55 -1.25 0.79 -0.51 0.02 0.00 0.00 175.30 174.90 3kgy s ASP 145 N -4.62 5.23 -0.20 0.23 1.01 0.20 -4.61 116.67 113.91 3kgy s ASP 145 Ca 0.63 -0.02 -0.01 0.00 0.71 0.00 0.00 52.55 53.86 3kgy s ASP 145 Cb -0.08 -0.83 0.01 0.00 1.01 0.00 0.00 42.92 43.03 3kgy s ASP 145 CO 0.43 -1.18 -0.13 -0.63 0.21 0.00 0.00 175.17 173.87 3kgy s ILE 146 N -2.78 2.65 -0.23 0.77 1.01 0.19 0.04 121.20 122.85 3kgy s ILE 146 Ca 0.58 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3kgy s ILE 146 Cb -0.10 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 3kgy s ILE 146 CO 0.39 0.48 0.20 -0.60 0.00 0.00 0.00 174.94 175.40 3kgy s ARG 147 N 1.37 4.10 -0.69 2.79 3.52 -0.47 -1.00 118.95 128.56 3kgy s ARG 147 Ca 0.05 -0.18 -0.21 0.00 -0.13 0.00 0.00 55.73 55.26 3kgy s ARG 147 Cb -0.14 -3.53 0.09 0.00 -1.56 0.00 0.00 34.95 29.81 3kgy s ARG 147 CO -0.09 0.07 0.95 0.42 -0.81 0.00 0.00 175.30 175.84 3kgy s ILE 148 N 1.02 4.47 0.30 4.11 -1.09 -0.01 -0.62 121.20 129.38 3kgy s ILE 148 Ca 0.10 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 3kgy s ILE 148 Cb -0.13 -4.67 0.12 0.00 -1.58 0.00 0.00 42.46 36.19 3kgy s ILE 148 CO 0.04 -1.41 1.80 0.28 -1.23 0.00 0.00 174.94 174.42 3kgy h SER 149 N 9.39 0.54 -4.57 3.58 0.02 -1.01 -3.40 113.55 118.10 3kgy h SER 149 Ca -0.22 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3kgy h SER 149 Cb 1.07 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3kgy h SER 149 CO 1.16 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 178.13 3kgy n GLY 150 N -0.66 0.58 0.00 -3.77 0.00 -1.25 -4.91 105.19 95.19 3kgy n GLY 150 Ca 0.01 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3kgy n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 151 N -0.09 0.51 0.37 -0.02 0.00 -1.26 -0.30 105.19 104.40 3kgy n GLY 151 Ca 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 3kgy n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgy h ALA 152 N -1.94 1.26 -0.60 4.61 0.00 -1.92 -2.09 119.26 118.58 3kgy h ALA 152 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kgy h ALA 152 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3kgy h ALA 152 CO 0.00 0.58 0.38 -0.97 0.00 0.00 0.00 179.25 179.24 3kgy h ASN 153 N 1.28 0.63 -0.30 0.00 -1.24 -1.92 0.77 115.58 114.80 3kgy h ASN 153 Ca 0.37 -0.01 -0.13 0.00 0.71 0.00 0.00 56.30 57.24 3kgy h ASN 153 Cb -0.08 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 38.82 3kgy h ASN 153 CO -0.10 0.45 -0.34 0.58 -1.29 0.00 0.00 177.43 176.73 3kgy h VAL 154 N 0.76 1.29 -0.87 2.57 2.07 -1.83 -2.66 116.25 117.59 3kgy h VAL 154 Ca 0.23 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3kgy h VAL 154 Cb -0.02 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3kgy h VAL 154 CO -0.08 0.49 0.52 0.40 0.02 0.00 0.00 177.57 178.92 3kgy h ILE 155 N 0.52 1.24 -0.93 4.57 2.04 -1.09 -2.16 117.51 121.71 3kgy h ILE 155 Ca 0.04 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3kgy h ILE 155 Cb 0.92 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3kgy h ILE 155 CO 0.08 0.26 0.59 1.56 0.00 0.00 0.00 178.15 180.64 3kgy h GLN 156 N 1.20 1.08 -0.31 2.37 4.20 -0.75 0.95 115.11 123.86 3kgy h GLN 156 Ca 0.31 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 3kgy h GLN 156 Cb -0.04 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 3kgy h GLN 156 CO -0.06 0.71 0.08 1.96 -0.67 0.00 0.00 178.83 180.85 3kgy h GLN 157 N 1.11 0.49 -0.54 1.46 4.20 -1.06 -0.35 115.11 120.41 3kgy h GLN 157 Ca 0.39 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.92 3kgy h GLN 157 Cb 0.11 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3kgy h GLN 157 CO -0.15 0.56 0.07 1.88 -0.67 0.00 0.00 178.83 180.52 3kgy h TYR 158 N 0.34 0.92 -0.18 2.96 0.05 -0.89 -1.24 116.97 118.93 3kgy h TYR 158 Ca 0.10 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3kgy h TYR 158 Cb 0.29 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3kgy h TYR 158 CO 0.01 0.80 0.11 -0.07 -1.05 0.00 0.00 178.16 177.97 3kgy h LEU 159 N 0.82 0.21 -1.69 3.88 3.38 -0.61 -1.50 115.31 119.80 3kgy h LEU 159 Ca 0.17 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3kgy h LEU 159 Cb 0.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kgy h LEU 159 CO 0.01 0.19 -0.18 0.78 0.09 0.00 0.00 178.44 179.33 3kgy h ASN 160 N 0.22 0.00 0.50 -0.43 2.35 -0.79 -1.25 115.58 116.18 3kgy h ASN 160 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3kgy h ASN 160 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3kgy h ASN 160 CO -0.01 0.18 -0.08 0.18 -1.65 0.00 0.00 177.43 176.04 3kgy n LEU 161 N -4.14 0.26 -0.14 1.61 4.77 -0.49 -4.92 117.00 113.94 3kgy n LEU 161 Ca -0.02 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 3kgy n LEU 161 Cb 0.25 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3kgy n LEU 161 CO 0.35 0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 3kgy n GLY 162 N 1.31 0.49 0.59 -0.72 0.00 -0.47 -4.94 105.19 101.45 3kgy n GLY 162 Ca 0.13 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 45.27 3kgy n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kgy n LEU 163 N -0.21 2.18 -4.59 0.99 4.77 -0.60 -4.88 117.00 114.67 3kgy n LEU 163 Ca -0.02 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 3kgy n LEU 163 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3kgy n LEU 163 CO 0.03 0.39 0.49 -0.69 -1.33 0.00 0.00 177.39 176.28 3kgy s VAL 164 N -1.94 4.83 0.08 4.08 1.01 -1.25 -4.70 120.40 122.51 3kgy s VAL 164 Ca 0.19 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 3kgy s VAL 164 Cb 0.16 -4.12 -0.26 0.00 0.00 0.00 0.00 36.38 32.16 3kgy s VAL 164 CO 0.38 -0.31 1.15 0.44 0.00 0.00 0.00 175.10 176.76 3kgy h ASP 165 N 8.36 0.29 -3.58 3.32 3.32 -1.12 -3.41 116.42 123.60 3kgy h ASP 165 Ca -0.25 -0.32 -0.22 0.00 0.02 0.00 0.00 57.03 56.25 3kgy h ASP 165 Cb 1.10 -0.10 -0.30 0.00 0.22 0.00 0.00 39.33 40.26 3kgy h ASP 165 CO 0.86 1.25 -0.59 -1.61 -1.72 0.00 0.00 179.24 177.44 3kgy s GLU 166 N -2.67 0.12 -0.21 3.56 2.02 -1.06 -0.81 118.70 119.65 3kgy s GLU 166 Ca -0.03 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.26 3kgy s GLU 166 Cb 0.08 -0.07 0.05 0.00 0.10 0.00 0.00 34.13 34.29 3kgy s GLU 166 CO 0.86 -0.10 -0.07 -1.17 0.02 0.00 0.00 175.26 174.80 3kgy s LEU 167 N 0.71 2.23 -0.15 1.80 2.96 0.06 -1.18 118.68 125.11 3kgy s LEU 167 Ca -0.05 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 3kgy s LEU 167 Cb -0.07 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 45.50 3kgy s LEU 167 CO -0.03 -0.20 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.03 3kgy s GLU 168 N 1.46 3.21 -0.08 1.98 2.02 0.51 -0.41 118.70 127.39 3kgy s GLU 168 Ca -0.03 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.21 3kgy s GLU 168 Cb -0.17 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.47 3kgy s GLU 168 CO -0.07 0.03 -0.06 0.42 0.02 0.00 0.00 175.26 175.59 3kgy s ILE 169 N 0.79 0.83 -0.64 -1.63 1.01 -0.03 -1.32 121.20 120.21 3kgy s ILE 169 Ca -0.06 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 3kgy s ILE 169 Cb -0.15 -0.86 0.06 0.00 0.01 0.00 0.00 42.46 41.52 3kgy s ILE 169 CO 0.00 0.32 1.00 0.00 0.00 0.00 0.00 174.94 176.26 3kgy s ALA 170 N 1.43 3.08 -0.29 9.38 0.00 -0.14 -0.42 121.76 134.80 3kgy s ALA 170 Ca -0.01 -1.62 -0.25 0.00 0.00 0.00 0.00 51.96 50.08 3kgy s ALA 170 Cb -0.13 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.12 3kgy s ALA 170 CO -0.04 -2.73 0.89 -1.17 0.00 0.00 0.00 175.76 172.71 3kgy s LEU 171 N 4.24 4.05 -0.09 0.00 2.96 -0.03 -0.92 118.68 128.89 3kgy s LEU 171 Ca 0.26 0.87 -0.03 0.00 -0.22 0.00 0.00 54.13 55.02 3kgy s LEU 171 Cb -0.15 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 3kgy s LEU 171 CO 0.13 -0.67 0.02 -0.63 -1.32 0.00 0.00 176.35 173.88 3kgy s ILE 172 N 3.14 4.50 -0.79 6.68 -1.09 -0.25 -1.48 121.20 131.89 3kgy s ILE 172 Ca 0.37 -0.18 -0.08 0.00 -2.23 0.00 0.00 60.65 58.54 3kgy s ILE 172 Cb -0.14 -2.90 -0.18 0.00 -1.58 0.00 0.00 42.46 37.66 3kgy s ILE 172 CO 0.12 0.61 3.26 -0.81 -1.23 0.00 0.00 174.94 176.89 3kgy n PRO 173 N 2.15 2.80 -4.80 2.79 -0.04 -1.26 -1.26 135.00 135.38 3kgy n PRO 173 Ca -0.19 -1.57 -0.26 0.00 -0.04 0.00 0.00 63.50 61.44 3kgy n PRO 173 Cb 0.54 -2.39 -0.15 0.00 -0.04 0.00 0.00 33.50 31.46 3kgy n PRO 173 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kgy s VAL 174 N 1.62 1.55 -0.29 0.52 0.11 -1.26 -4.97 120.40 117.67 3kgy s VAL 174 Ca 0.67 -0.96 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 3kgy s VAL 174 Cb 0.25 -1.31 0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3kgy s VAL 174 CO -0.03 0.33 0.04 -0.63 -3.33 0.00 0.00 175.10 171.48 3kgy s ILE 175 N -0.60 3.53 0.08 7.04 -1.09 -1.26 -0.89 121.20 128.00 3kgy s ILE 175 Ca 0.07 -0.96 -0.04 0.00 -2.23 0.00 0.00 60.65 57.49 3kgy s ILE 175 Cb -0.08 -2.88 -0.28 0.00 -1.58 0.00 0.00 42.46 37.64 3kgy s ILE 175 CO 0.00 0.03 1.14 -0.26 -1.23 0.00 0.00 174.94 174.62 3kgy h PHE 176 N 8.14 0.47 0.00 3.97 -1.00 -1.95 -3.48 116.94 123.09 3kgy h PHE 176 Ca -0.28 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 60.15 3kgy h PHE 176 Cb 1.10 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.64 3kgy h PHE 176 CO 0.60 1.27 0.00 0.41 -1.61 0.00 0.00 178.31 178.98 3kgy n GLY 177 N 1.52 0.69 0.00 -1.45 0.00 -1.26 -4.79 105.19 99.90 3kgy n GLY 177 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kgy n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 178 N -2.09 0.17 0.00 -0.02 0.00 -1.26 -5.05 105.19 96.94 3kgy n GLY 178 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3kgy n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 179 N -0.70 0.21 3.43 -0.02 0.00 -1.26 -3.51 105.19 103.34 3kgy n GLY 179 Ca 0.00 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.60 3kgy n GLY 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgy s ARG 180 N 0.00 3.06 0.01 1.61 1.81 -0.47 -4.87 118.95 120.10 3kgy s ARG 180 Ca 0.00 -1.06 -0.30 0.00 -1.72 0.00 0.00 55.73 52.65 3kgy s ARG 180 Cb 0.00 -4.09 -0.04 0.00 -0.45 0.00 0.00 34.95 30.36 3kgy s ARG 180 CO 0.00 -1.09 1.14 0.50 -0.68 0.00 0.00 175.30 175.16 3kgy s ARG 181 N 2.16 4.44 0.01 3.54 6.06 -1.26 -3.93 118.95 129.97 3kgy s ARG 181 Ca 0.10 1.64 -0.25 0.00 -2.50 0.00 0.00 55.73 54.72 3kgy s ARG 181 Cb -0.21 -3.44 -0.16 0.00 0.06 0.00 0.00 34.95 31.21 3kgy s ARG 181 CO 0.10 -0.26 1.18 1.25 -2.50 0.00 0.00 175.30 175.07 3kgy h LEU 182 N 7.22 -0.51 -7.75 -0.88 5.85 -1.67 -3.38 115.31 114.18 3kgy h LEU 182 Ca -0.39 -0.09 -0.74 0.00 0.84 0.00 0.00 57.88 57.50 3kgy h LEU 182 Cb 1.20 0.13 -0.19 0.00 0.37 0.00 0.00 40.66 42.17 3kgy h LEU 182 CO 0.82 -0.15 1.16 -0.36 -0.34 0.00 0.00 178.44 179.57 3kgy s PHE 183 N -4.64 3.52 0.05 1.25 0.08 -1.26 -4.76 117.98 112.22 3kgy s PHE 183 Ca -0.14 -2.07 -0.13 0.00 0.12 0.00 0.00 56.93 54.71 3kgy s PHE 183 Cb 0.02 -4.25 0.02 0.00 -0.57 0.00 0.00 43.02 38.23 3kgy s PHE 183 CO 0.49 -1.36 0.28 -2.00 -0.10 0.00 0.00 175.22 172.54 3kgy s GLU 184 N 1.45 0.79 -1.72 0.44 2.12 -1.26 -4.91 118.70 115.61 3kgy s GLU 184 Ca 0.39 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.18 3kgy s GLU 184 Cb -0.04 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.69 3kgy s GLU 184 CO -0.02 -0.25 0.00 0.09 -0.54 0.00 0.00 175.26 174.53 3kgy n ASN 185 N 0.57 -5.03 -4.78 -1.70 3.02 -1.26 -4.92 115.26 101.16 3kgy n ASN 185 Ca -0.18 0.32 -0.39 0.00 -0.03 0.00 0.00 54.58 54.30 3kgy n ASN 185 Cb 0.59 -4.04 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 3kgy n ASN 185 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kgy s LEU 186 N -4.07 4.59 0.26 3.41 1.43 -1.26 -5.00 118.68 118.05 3kgy s LEU 186 Ca 0.00 1.62 0.11 0.00 -1.03 0.00 0.00 54.13 54.83 3kgy s LEU 186 Cb 0.00 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 3kgy s LEU 186 CO 0.00 0.21 -0.19 -1.38 0.23 0.00 0.00 176.35 175.22 3kgy s HIS 187 N -1.12 2.16 0.55 0.29 -3.43 -1.26 -5.08 115.29 107.40 3kgy s HIS 187 Ca 0.35 -0.39 -0.19 0.00 -0.80 0.00 0.00 55.06 54.03 3kgy s HIS 187 Cb -0.23 -0.95 -0.06 0.00 -1.43 0.00 0.00 32.58 29.91 3kgy s HIS 187 CO 0.26 0.64 1.13 -1.21 -2.00 0.00 0.00 174.74 173.56 3kgy s GLU 188 N -3.54 3.34 0.15 -0.38 0.41 -1.26 -3.60 118.70 113.82 3kgy s GLU 188 Ca 0.28 1.63 -0.31 0.00 -0.41 0.00 0.00 54.97 56.16 3kgy s GLU 188 Cb -0.04 -2.00 -0.08 0.00 -1.78 0.00 0.00 34.13 30.22 3kgy s GLU 188 CO 0.13 -0.86 1.36 -1.25 -0.49 0.00 0.00 175.26 174.15 3kgy s PRO 189 N -3.28 4.34 0.52 0.39 0.04 -1.26 -5.13 135.00 130.61 3kgy s PRO 189 Ca 0.73 2.08 -0.16 0.00 0.04 0.00 0.00 61.00 63.69 3kgy s PRO 189 Cb -0.24 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 3kgy s PRO 189 CO 0.27 -0.37 0.98 -0.51 0.04 0.00 0.00 177.00 177.42 3kgy s LEU 190 N 0.58 3.61 0.58 -3.56 1.43 -1.24 -4.97 118.68 115.11 3kgy s LEU 190 Ca 0.61 1.55 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 3kgy s LEU 190 Cb -0.37 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.31 3kgy s LEU 190 CO 0.34 -0.60 1.11 -2.16 0.23 0.00 0.00 176.35 175.28 3kgy s PRO 191 N -4.12 3.20 -0.05 1.29 0.04 -1.26 -5.03 135.00 129.07 3kgy s PRO 191 Ca 0.59 1.50 0.04 0.00 0.04 0.00 0.00 61.00 63.17 3kgy s PRO 191 Cb -0.10 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 3kgy s PRO 191 CO 0.32 -0.95 -0.18 -0.65 0.04 0.00 0.00 177.00 175.58 3kgy s GLN 192 N -3.58 1.97 0.09 4.56 -0.21 -1.26 -5.11 119.66 116.12 3kgy s GLN 192 Ca 0.70 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 55.44 3kgy s GLN 192 Cb -0.22 -1.68 -0.04 0.00 1.00 0.00 0.00 33.01 32.07 3kgy s GLN 192 CO 0.32 0.24 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.60 3kgy s PHE 193 N 0.07 0.85 0.26 0.91 0.08 -1.26 -1.55 117.98 117.35 3kgy s PHE 193 Ca -0.06 -0.82 0.11 0.00 0.12 0.00 0.00 56.93 56.29 3kgy s PHE 193 Cb -0.13 -0.49 -0.05 0.00 -0.57 0.00 0.00 43.02 41.78 3kgy s PHE 193 CO 0.03 -0.13 -0.11 -0.98 -0.10 0.00 0.00 175.22 173.93 3kgy s ARG 194 N -3.31 1.97 -0.07 0.44 1.70 -0.71 -4.80 118.95 114.18 3kgy s ARG 194 Ca 0.07 -1.57 -0.30 0.00 -0.47 0.00 0.00 55.73 53.46 3kgy s ARG 194 Cb 0.02 -1.97 -0.02 0.00 -0.57 0.00 0.00 34.95 32.40 3kgy s ARG 194 CO -0.03 0.36 1.10 0.42 -1.08 0.00 0.00 175.30 176.06 3kgy s ILE 195 N -2.34 4.52 -0.27 4.99 1.01 -1.26 -1.52 121.20 126.34 3kgy s ILE 195 Ca 0.30 1.82 -0.03 0.00 0.00 0.00 0.00 60.65 62.73 3kgy s ILE 195 Cb -0.06 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 38.09 3kgy s ILE 195 CO 0.17 0.02 -0.27 -0.67 0.00 0.00 0.00 174.94 174.19 3kgy n ASP 196 N 4.96 1.97 -3.65 3.58 2.03 0.76 -4.92 116.55 121.27 3kgy n ASP 196 Ca 0.10 0.02 -0.15 0.00 0.52 0.00 0.00 54.79 55.27 3kgy n ASP 196 Cb 0.48 -0.55 -0.08 0.00 -0.72 0.00 0.00 41.12 40.25 3kgy n ASP 196 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3kgy s ARG 197 N -2.52 0.80 -0.05 -0.67 3.00 -0.98 -5.02 118.95 113.51 3kgy s ARG 197 Ca -0.36 0.29 0.03 0.00 -1.00 0.00 0.00 55.73 54.69 3kgy s ARG 197 Cb 0.11 0.38 0.01 0.00 0.00 0.00 0.00 34.95 35.44 3kgy s ARG 197 CO 0.57 -0.20 -0.12 0.08 0.00 0.00 0.00 175.30 175.62 3kgy s VAL 198 N -0.74 1.09 -0.25 7.11 1.01 -1.26 -0.72 120.40 126.64 3kgy s VAL 198 Ca -0.08 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3kgy s VAL 198 Cb -0.03 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.43 3kgy s VAL 198 CO 0.05 0.34 -0.11 -0.22 0.00 0.00 0.00 175.10 175.16 3kgy s LEU 199 N 0.48 3.33 0.32 3.92 2.96 -0.07 -5.00 118.68 124.62 3kgy s LEU 199 Ca -0.11 -1.35 -0.22 0.00 -0.22 0.00 0.00 54.13 52.24 3kgy s LEU 199 Cb -0.14 -1.52 -0.10 0.00 0.50 0.00 0.00 46.19 44.94 3kgy s LEU 199 CO 0.03 -0.19 0.85 0.00 -1.32 0.00 0.00 176.35 175.72 3kgy s ALA 200 N 1.13 3.25 0.10 5.97 0.00 -1.26 -1.04 121.76 129.91 3kgy s ALA 200 Ca -0.08 0.33 -0.09 0.00 0.00 0.00 0.00 51.96 52.12 3kgy s ALA 200 Cb -0.20 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 3kgy s ALA 200 CO -0.05 0.23 0.20 -1.54 0.00 0.00 0.00 175.76 174.60 3kgy s SER 201 N -1.84 0.11 0.59 0.00 1.04 -0.79 -4.95 113.70 107.87 3kgy s SER 201 Ca 0.51 -0.70 0.30 0.00 0.48 0.00 0.00 55.95 56.54 3kgy s SER 201 Cb -0.15 0.35 1.82 0.00 0.10 0.00 0.00 66.02 68.15 3kgy s SER 201 CO 0.20 -0.76 2.25 -0.65 0.98 0.00 0.00 173.24 175.26 3kgy h PRO 202 N 2.72 0.00 0.00 4.02 0.11 -2.04 -3.19 132.00 133.63 3kgy h PRO 202 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3kgy h PRO 202 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kgy h PRO 202 CO 0.55 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 3kgy n THR 203 N -3.83 0.26 -3.58 -1.15 -2.24 -1.26 -5.04 114.28 97.44 3kgy n THR 203 Ca -0.03 -0.60 -0.15 0.00 -2.27 0.00 0.00 64.05 61.00 3kgy n THR 203 Cb 0.10 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 3kgy n THR 203 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kgy s ALA 204 N -0.26 -1.80 -0.26 6.98 0.00 -1.20 -4.48 121.76 120.74 3kgy s ALA 204 Ca 0.00 1.66 -0.05 0.00 0.00 0.00 0.00 51.96 53.57 3kgy s ALA 204 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3kgy s ALA 204 CO 0.00 -0.35 0.03 0.99 0.00 0.00 0.00 175.76 176.44 3kgy s THR 205 N -0.45 3.73 -0.49 0.00 2.01 -0.55 -1.88 115.64 118.01 3kgy s THR 205 Ca -0.05 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.14 3kgy s THR 205 Cb -0.02 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.69 3kgy s THR 205 CO 0.05 0.21 0.60 -1.00 -0.69 0.00 0.00 174.62 173.79 3kgy s HIS 206 N 1.49 3.07 -0.14 4.92 3.76 -0.20 -0.85 115.29 127.34 3kgy s HIS 206 Ca 0.03 -0.48 -0.06 0.00 -0.15 0.00 0.00 55.06 54.41 3kgy s HIS 206 Cb -0.16 -3.44 -0.04 0.00 1.11 0.00 0.00 32.58 30.05 3kgy s HIS 206 CO 0.00 -0.97 0.07 -0.51 -0.85 0.00 0.00 174.74 172.48 3kgy s LEU 207 N 2.57 3.95 -0.17 0.89 1.43 0.44 -0.89 118.68 126.91 3kgy s LEU 207 Ca 0.15 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 3kgy s LEU 207 Cb -0.19 -1.97 0.04 0.00 0.03 0.00 0.00 46.19 44.11 3kgy s LEU 207 CO 0.13 0.30 -0.10 -0.60 0.23 0.00 0.00 176.35 176.31 3kgy s ARG 208 N -0.37 1.90 0.13 1.70 3.52 0.11 -0.85 118.95 125.08 3kgy s ARG 208 Ca 0.10 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 55.11 3kgy s ARG 208 Cb -0.12 -2.17 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 3kgy s ARG 208 CO 0.02 -0.37 0.00 0.71 -0.81 0.00 0.00 175.30 174.85 3kgy s TYR 209 N 1.50 2.93 -0.02 5.12 2.02 0.45 -0.17 117.35 129.17 3kgy s TYR 209 Ca 0.01 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 3kgy s TYR 209 Cb -0.15 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 3kgy s TYR 209 CO -0.09 0.49 -0.09 0.08 -1.57 0.00 0.00 175.55 174.38 3kgy s VAL 210 N -1.49 0.75 0.39 0.71 1.01 -0.58 -0.76 120.40 120.43 3kgy s VAL 210 Ca 0.26 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 3kgy s VAL 210 Cb -0.11 -0.66 -0.11 0.00 0.00 0.00 0.00 36.38 35.50 3kgy s VAL 210 CO 0.18 0.23 1.24 -1.14 0.00 0.00 0.00 175.10 175.61 3kgy n ARG 211 N 3.18 1.91 0.00 2.72 0.63 0.01 -1.74 116.66 123.37 3kgy n ARG 211 Ca -0.17 0.67 0.09 0.00 -0.92 0.00 0.00 57.85 57.53 3kgy n ARG 211 Cb 0.55 -2.30 0.55 0.00 0.45 0.00 0.00 32.46 31.71 3kgy n ARG 211 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40