#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lko s ILE 1 N 0.00 4.87 0.11 1.12 -1.09 -1.26 -5.04 121.20 119.90 3lko s ILE 1 Ca 0.00 1.62 0.08 0.00 -2.23 0.00 0.00 60.65 60.12 3lko s ILE 1 Cb 0.00 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 3lko s ILE 1 CO 0.00 0.01 -0.21 -1.10 -1.23 0.00 0.00 174.94 172.41 3lko s GLN 2 N 2.28 1.14 -0.09 2.79 -0.21 -1.26 -4.84 119.66 119.48 3lko s GLN 2 Ca 0.37 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.60 3lko s GLN 2 Cb -0.16 -1.42 0.01 0.00 1.00 0.00 0.00 33.01 32.43 3lko s GLN 2 CO 0.11 0.33 -0.18 1.03 -2.12 0.00 0.00 175.29 174.47 3lko s ARG 3 N -1.93 2.38 0.33 2.91 0.52 0.13 -4.94 118.95 118.35 3lko s ARG 3 Ca 0.07 -0.64 -0.26 0.00 -0.52 0.00 0.00 55.73 54.38 3lko s ARG 3 Cb -0.10 -1.89 -0.10 0.00 0.52 0.00 0.00 34.95 33.38 3lko s ARG 3 CO 0.04 0.07 0.96 -0.08 0.02 0.00 0.00 175.30 176.31 3lko s THR 4 N 0.60 4.13 0.35 0.02 -1.32 -1.26 -1.30 115.64 116.86 3lko s THR 4 Ca -0.15 1.76 -0.27 0.00 -1.21 0.00 0.00 61.69 61.82 3lko s THR 4 Cb -0.16 -3.97 -0.09 0.00 -1.51 0.00 0.00 72.50 66.77 3lko s THR 4 CO 0.05 0.13 1.16 -2.16 -2.21 0.00 0.00 174.62 171.58 3lko s PRO 5 N -2.10 4.31 0.32 7.08 0.04 -1.26 -4.35 135.00 139.04 3lko s PRO 5 Ca 0.51 1.86 -0.22 0.00 0.04 0.00 0.00 61.00 63.19 3lko s PRO 5 Cb -0.19 -2.90 -0.10 0.00 0.04 0.00 0.00 34.50 31.35 3lko s PRO 5 CO 0.25 -0.10 0.86 0.15 0.04 0.00 0.00 177.00 178.19 3lko s LYS 6 N -1.95 4.34 -0.05 4.56 1.02 0.49 -4.93 119.74 123.23 3lko s LYS 6 Ca 0.51 1.07 0.01 0.00 0.02 0.00 0.00 55.97 57.58 3lko s LYS 6 Cb -0.32 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3lko s LYS 6 CO 0.41 0.23 -0.04 0.42 -0.92 0.00 0.00 175.35 175.45 3lko s ILE 7 N -1.75 0.53 -0.04 2.17 1.01 -1.26 -2.08 121.20 119.78 3lko s ILE 7 Ca 0.51 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.09 3lko s ILE 7 Cb -0.15 -0.56 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 3lko s ILE 7 CO 0.20 0.23 -0.15 -1.10 0.00 0.00 0.00 174.94 174.11 3lko s GLN 8 N 0.99 1.56 -0.12 2.79 -0.21 -0.39 -4.99 119.66 119.28 3lko s GLN 8 Ca -0.10 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 54.77 3lko s GLN 8 Cb -0.14 -1.39 0.00 0.00 1.00 0.00 0.00 33.01 32.49 3lko s GLN 8 CO -0.00 0.23 -0.23 0.08 -2.12 0.00 0.00 175.29 173.25 3lko s VAL 9 N 0.02 2.12 0.13 1.09 1.01 -1.26 -0.93 120.40 122.57 3lko s VAL 9 Ca -0.02 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 3lko s VAL 9 Cb -0.10 -1.83 0.07 0.00 0.00 0.00 0.00 36.38 34.52 3lko s VAL 9 CO 0.01 0.55 0.99 -0.72 0.00 0.00 0.00 175.10 175.94 3lko s TYR 10 N 0.53 -0.13 0.09 5.22 -0.85 -0.71 -4.51 117.35 116.99 3lko s TYR 10 Ca -0.14 -0.14 0.01 0.00 -0.52 0.00 0.00 57.07 56.29 3lko s TYR 10 Cb -0.17 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 3lko s TYR 10 CO 0.04 -0.75 0.20 -1.54 -1.52 0.00 0.00 175.55 171.98 3lko s SER 11 N -2.92 6.14 0.15 -0.18 1.04 -1.26 -0.35 113.70 116.33 3lko s SER 11 Ca 0.12 0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.56 3lko s SER 11 Cb -0.01 -1.82 0.02 0.00 0.10 0.00 0.00 66.02 64.31 3lko s SER 11 CO 0.01 0.14 1.80 -0.09 0.98 0.00 0.00 173.24 176.08 3lko h ARG 12 N 2.87 0.56 -6.28 4.02 2.43 -1.63 -3.44 114.38 112.90 3lko h ARG 12 Ca -0.46 -0.04 -0.59 0.00 -0.81 0.00 0.00 59.98 58.08 3lko h ARG 12 Cb 1.17 -0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 30.48 3lko h ARG 12 CO 0.72 0.39 -0.69 -1.01 -1.51 0.00 0.00 179.97 177.87 3lko s HIS 13 N -6.09 2.62 0.20 2.20 3.76 -1.26 -5.04 115.29 111.67 3lko s HIS 13 Ca -0.13 -0.24 -0.32 0.00 -0.15 0.00 0.00 55.06 54.22 3lko s HIS 13 Cb 0.11 -1.19 -0.15 0.00 1.11 0.00 0.00 32.58 32.46 3lko s HIS 13 CO 0.73 0.60 1.24 -2.30 -0.85 0.00 0.00 174.74 174.17 3lko n PRO 14 N -0.57 1.46 -2.16 8.40 -0.02 -1.26 -4.86 135.00 135.99 3lko n PRO 14 Ca -0.08 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 3lko n PRO 14 Cb 0.58 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 3lko n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lko s ALA 15 N -0.15 3.59 -0.05 3.55 0.00 -1.26 -5.02 121.76 122.41 3lko s ALA 15 Ca 0.71 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 3lko s ALA 15 Cb -0.78 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 18.83 3lko s ALA 15 CO 0.51 -0.62 0.04 -2.00 0.00 0.00 0.00 175.76 173.70 3lko s GLU 16 N 0.92 0.16 0.25 0.00 2.12 -1.26 -5.13 118.70 115.77 3lko s GLU 16 Ca 0.64 0.27 -0.31 0.00 0.36 0.00 0.00 54.97 55.93 3lko s GLU 16 Cb -0.37 -0.70 -0.12 0.00 0.26 0.00 0.00 34.13 33.19 3lko s GLU 16 CO 0.32 -0.33 1.54 0.09 -0.54 0.00 0.00 175.26 176.34 3lko n ASN 17 N 5.25 3.42 0.00 -1.70 5.03 -1.26 -1.20 115.26 124.80 3lko n ASN 17 Ca -0.04 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.54 3lko n ASN 17 Cb 0.50 -1.52 0.00 0.00 -1.02 0.00 0.00 39.78 37.74 3lko n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3lko n GLY 18 N 2.47 0.93 3.42 7.41 0.00 -0.15 -5.00 105.19 114.27 3lko n GLY 18 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3lko n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lko s LYS 19 N -0.07 3.59 0.39 1.61 2.20 -0.34 -5.00 119.74 122.13 3lko s LYS 19 Ca 0.00 -0.52 -0.26 0.00 -0.36 0.00 0.00 55.97 54.83 3lko s LYS 19 Cb 0.00 -3.18 -0.11 0.00 -1.51 0.00 0.00 37.83 33.03 3lko s LYS 19 CO 0.00 -0.11 1.16 0.45 -0.36 0.00 0.00 175.35 176.48 3lko n SER 20 N 4.64 2.02 -1.13 1.43 2.88 -1.26 -4.20 113.62 118.01 3lko n SER 20 Ca -0.17 1.11 -0.01 0.00 -1.33 0.00 0.00 58.87 58.47 3lko n SER 20 Cb 0.51 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 3lko n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3lko n ASN 21 N 0.51 -0.14 -4.17 -3.46 2.85 0.11 -4.98 115.26 105.99 3lko n ASN 21 Ca 0.07 -1.12 -0.27 0.00 -0.11 0.00 0.00 54.58 53.15 3lko n ASN 21 Cb 0.38 0.24 -0.16 0.00 1.24 0.00 0.00 39.78 41.48 3lko n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3lko s PHE 22 N -7.25 1.88 -0.27 1.20 0.08 -1.26 -1.45 117.98 110.91 3lko s PHE 22 Ca 0.01 -0.53 -0.12 0.00 0.12 0.00 0.00 56.93 56.41 3lko s PHE 22 Cb -0.00 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.15 3lko s PHE 22 CO 0.01 -0.17 0.22 -1.17 -0.10 0.00 0.00 175.22 174.01 3lko s LEU 23 N -0.04 4.05 -0.01 -0.37 2.96 0.05 -1.43 118.68 123.89 3lko s LEU 23 Ca -0.03 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3lko s LEU 23 Cb -0.12 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3lko s LEU 23 CO 0.02 -0.05 0.00 0.20 -1.32 0.00 0.00 176.35 175.21 3lko s ASN 24 N 1.57 5.14 -0.17 3.68 0.02 0.53 -2.15 114.94 123.56 3lko s ASN 24 Ca 0.09 0.01 -0.00 0.00 -1.02 0.00 0.00 52.86 51.93 3lko s ASN 24 Cb -0.15 -1.36 0.04 0.00 0.02 0.00 0.00 41.25 39.80 3lko s ASN 24 CO 0.09 0.29 -0.05 0.00 0.02 0.00 0.00 177.10 177.45 3lko s TYR 26 N 1.63 3.15 -0.11 0.00 5.04 -0.11 -0.72 117.35 126.23 3lko s TYR 26 Ca 0.01 -0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 53.90 3lko s TYR 26 Cb -0.15 -2.29 -0.03 0.00 0.35 0.00 0.00 41.96 39.84 3lko s TYR 26 CO -0.08 -0.50 -0.07 0.14 -1.34 0.00 0.00 175.55 173.71 3lko s VAL 27 N 1.56 3.65 0.26 3.14 -7.23 -0.61 -1.27 120.40 119.91 3lko s VAL 27 Ca 0.04 -0.47 -0.14 0.00 -1.81 0.00 0.00 61.98 59.60 3lko s VAL 27 Cb -0.17 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.24 3lko s VAL 27 CO 0.04 0.55 0.52 -0.94 -0.31 0.00 0.00 175.10 174.96 3lko s SER 28 N -0.22 -0.09 -1.37 4.85 1.04 -0.88 -0.84 113.70 116.19 3lko s SER 28 Ca 0.03 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3lko s SER 28 Cb -0.13 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3lko s SER 28 CO 0.03 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.67 3lko n GLY 29 N -0.40 1.35 3.90 7.32 0.00 -0.57 -0.38 105.19 116.40 3lko n GLY 29 Ca -0.02 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 3lko n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3lko s PHE 30 N -2.39 3.27 -0.29 1.61 -0.12 -1.19 -4.43 117.98 114.43 3lko s PHE 30 Ca 0.00 -0.07 -0.16 0.00 -0.05 0.00 0.00 56.93 56.65 3lko s PHE 30 Cb 0.00 -1.50 0.11 0.00 -0.63 0.00 0.00 43.02 41.00 3lko s PHE 30 CO 0.00 0.47 0.82 -1.58 -0.05 0.00 0.00 175.22 174.88 3lko s HIS 31 N -2.07 -0.86 0.38 3.49 2.46 -0.42 -1.46 115.29 116.82 3lko s HIS 31 Ca 0.34 1.69 -0.06 0.00 0.47 0.00 0.00 55.06 57.49 3lko s HIS 31 Cb -0.08 0.51 0.09 0.00 -0.13 0.00 0.00 32.58 32.97 3lko s HIS 31 CO 0.27 -0.42 0.46 -0.35 -2.47 0.00 0.00 174.74 172.22 3lko n PRO 32 N 4.15 -0.84 0.11 2.88 -0.04 -1.26 0.17 135.00 140.16 3lko n PRO 32 Ca -0.18 -0.72 0.05 0.00 -0.04 0.00 0.00 63.50 62.61 3lko n PRO 32 Cb 0.58 -0.52 0.01 0.00 -0.04 0.00 0.00 33.50 33.52 3lko n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3lko h SER 33 N -0.92 0.00 -2.50 3.54 4.64 -1.99 -3.46 113.55 112.87 3lko h SER 33 Ca -0.15 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.62 3lko h SER 33 Cb 0.44 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.58 3lko h SER 33 CO 0.11 0.35 0.95 0.47 -0.87 0.00 0.00 176.83 177.84 3lko n ASP 34 N -2.99 3.68 -3.59 4.97 9.92 -1.26 -4.97 116.55 122.31 3lko n ASP 34 Ca -0.02 1.06 -0.16 0.00 -0.53 0.00 0.00 54.79 55.14 3lko n ASP 34 Cb 0.70 -1.52 -0.07 0.00 -0.64 0.00 0.00 41.12 39.60 3lko n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3lko s ILE 35 N 1.23 0.01 -0.10 0.53 2.07 -1.26 -4.63 121.20 119.05 3lko s ILE 35 Ca 0.77 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.95 3lko s ILE 35 Cb -0.57 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.12 3lko s ILE 35 CO 0.35 -0.05 -0.21 -1.83 -1.91 0.00 0.00 174.94 171.28 3lko s GLU 36 N -0.96 2.81 -0.06 3.50 -1.05 -0.63 -5.01 118.70 117.29 3lko s GLU 36 Ca -0.10 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 3lko s GLU 36 Cb -0.02 -2.18 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 3lko s GLU 36 CO 0.07 0.10 -0.04 0.08 0.95 0.00 0.00 175.26 176.42 3lko s VAL 37 N 0.52 0.61 0.03 1.83 1.01 -1.26 -1.30 120.40 121.85 3lko s VAL 37 Ca -0.15 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3lko s VAL 37 Cb -0.17 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 3lko s VAL 37 CO 0.05 0.26 -0.24 -1.81 0.00 0.00 0.00 175.10 173.37 3lko s ASP 38 N 1.25 2.81 -0.12 3.32 1.01 -0.14 -4.98 116.67 119.82 3lko s ASP 38 Ca -0.05 -0.53 -0.13 0.00 0.71 0.00 0.00 52.55 52.55 3lko s ASP 38 Cb -0.14 -0.26 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 3lko s ASP 38 CO -0.02 0.23 0.29 -0.76 0.21 0.00 0.00 175.17 175.12 3lko s LEU 39 N -1.07 4.32 -0.02 1.23 1.43 -1.26 -0.22 118.68 123.09 3lko s LEU 39 Ca 0.10 0.60 0.05 0.00 -1.03 0.00 0.00 54.13 53.85 3lko s LEU 39 Cb -0.09 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 3lko s LEU 39 CO 0.01 0.20 -0.16 -0.76 0.23 0.00 0.00 176.35 175.87 3lko s LEU 40 N -0.10 2.67 -0.16 1.79 1.43 0.55 -0.62 118.68 124.23 3lko s LEU 40 Ca 0.18 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3lko s LEU 40 Cb -0.14 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3lko s LEU 40 CO 0.06 0.32 -0.21 -0.75 0.23 0.00 0.00 176.35 176.00 3lko s LYS 41 N -0.95 3.00 -1.83 1.70 2.20 -0.35 -1.81 119.74 121.70 3lko s LYS 41 Ca 0.13 -0.84 -0.21 0.00 -0.36 0.00 0.00 55.97 54.69 3lko s LYS 41 Cb -0.11 -2.51 0.21 0.00 -1.51 0.00 0.00 37.83 33.91 3lko s LYS 41 CO 0.02 -0.13 0.57 0.09 -0.36 0.00 0.00 175.35 175.54 3lko n ASN 42 N 4.40 -1.75 0.00 1.43 3.02 0.12 -0.70 115.26 121.78 3lko n ASN 42 Ca -0.21 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 3lko n ASN 42 Cb 0.51 -1.76 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 3lko n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lko n GLY 43 N -1.25 2.13 3.82 7.41 0.00 -1.26 -5.04 105.19 111.01 3lko n GLY 43 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3lko n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lko s GLU 44 N -0.36 3.86 0.08 1.61 2.02 0.13 -4.99 118.70 121.05 3lko s GLU 44 Ca 0.00 0.20 -0.31 0.00 0.02 0.00 0.00 54.97 54.88 3lko s GLU 44 Cb 0.00 -3.26 -0.09 0.00 0.10 0.00 0.00 34.13 30.88 3lko s GLU 44 CO 0.00 0.61 1.80 0.50 0.02 0.00 0.00 175.26 178.19 3lko s ARG 45 N -0.71 4.16 0.15 1.61 3.52 -1.26 -1.22 118.95 125.20 3lko s ARG 45 Ca 0.20 2.51 -0.30 0.00 -0.13 0.00 0.00 55.73 58.00 3lko s ARG 45 Cb -0.15 -3.72 -0.07 0.00 -1.56 0.00 0.00 34.95 29.45 3lko s ARG 45 CO 0.09 -0.83 1.14 0.42 -0.81 0.00 0.00 175.30 175.31 3lko s ILE 46 N 3.09 3.85 0.02 4.11 1.01 0.21 -4.92 121.20 128.57 3lko s ILE 46 Ca 0.80 1.52 -0.19 0.00 0.00 0.00 0.00 60.65 62.78 3lko s ILE 46 Cb -0.43 -3.97 -0.22 0.00 0.01 0.00 0.00 42.46 37.85 3lko s ILE 46 CO 0.36 0.22 1.13 -0.33 0.00 0.00 0.00 174.94 176.33 3lko h GLU 47 N 5.52 0.45 -0.72 2.79 5.08 -1.93 -3.39 114.58 122.38 3lko h GLU 47 Ca -0.44 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.48 3lko h GLU 47 Cb 1.21 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3lko h GLU 47 CO 0.75 1.10 0.00 1.17 -1.00 0.00 0.00 179.01 181.03 3lko n LYS 48 N -4.21 2.99 -1.87 2.33 3.00 -1.26 -4.99 118.16 114.15 3lko n LYS 48 Ca -0.10 -1.70 -0.42 0.00 -0.00 0.00 0.00 58.31 56.09 3lko n LYS 48 Cb 0.66 -1.84 -0.02 0.00 0.00 0.00 0.00 35.03 33.83 3lko n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3lko s VAL 49 N -1.90 2.32 0.31 3.15 1.01 -1.26 -4.98 120.40 119.05 3lko s VAL 49 Ca 0.30 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.61 3lko s VAL 49 Cb 0.22 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3lko s VAL 49 CO 0.10 0.04 0.25 -1.61 0.00 0.00 0.00 175.10 173.88 3lko s GLU 50 N -0.15 2.78 0.14 2.72 2.02 -0.36 -4.94 118.70 120.91 3lko s GLU 50 Ca 0.64 -1.22 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 3lko s GLU 50 Cb -0.46 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 3lko s GLU 50 CO 0.43 0.21 0.26 -3.38 0.02 0.00 0.00 175.26 172.80 3lko s HIS 51 N -2.25 0.34 0.80 1.61 -3.43 -1.26 -0.74 115.29 110.35 3lko s HIS 51 Ca 0.38 -0.72 -0.12 0.00 -0.80 0.00 0.00 55.06 53.80 3lko s HIS 51 Cb -0.06 -0.06 0.07 0.00 -1.43 0.00 0.00 32.58 31.10 3lko s HIS 51 CO 0.26 -0.67 1.12 -1.54 -2.00 0.00 0.00 174.74 171.91 3lko s SER 52 N -2.94 4.57 0.34 7.38 1.04 -0.40 -4.99 113.70 118.71 3lko s SER 52 Ca 0.14 1.06 -0.27 0.00 0.48 0.00 0.00 55.95 57.37 3lko s SER 52 Cb 0.04 -1.73 -0.09 0.00 0.10 0.00 0.00 66.02 64.34 3lko s SER 52 CO -0.03 -1.89 1.10 -1.81 0.98 0.00 0.00 173.24 171.59 3lko s ASP 53 N -4.22 6.97 0.06 7.02 1.01 -1.26 -4.80 116.67 121.45 3lko s ASP 53 Ca 0.61 2.21 -0.33 0.00 0.71 0.00 0.00 52.55 55.75 3lko s ASP 53 Cb -0.13 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.08 3lko s ASP 53 CO 0.52 -0.35 1.81 -0.11 0.21 0.00 0.00 175.17 177.25 3lko n LEU 54 N 0.58 3.69 -4.25 1.23 7.94 -1.26 -4.93 117.00 120.00 3lko n LEU 54 Ca 0.02 0.99 -0.19 0.00 -1.11 0.00 0.00 56.01 55.72 3lko n LEU 54 Cb 0.47 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.88 3lko n LEU 54 CO 0.50 0.02 -0.06 -0.55 -1.11 0.00 0.00 177.39 176.19 3lko s SER 55 N 2.94 1.56 0.13 1.96 0.15 -1.25 -5.07 113.70 114.12 3lko s SER 55 Ca 0.85 -1.72 -0.11 0.00 0.70 0.00 0.00 55.95 55.68 3lko s SER 55 Cb -0.58 0.58 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 3lko s SER 55 CO 0.42 -1.11 0.28 0.72 1.20 0.00 0.00 173.24 174.75 3lko s PHE 56 N -3.35 0.14 0.73 3.44 -0.12 -1.26 -2.34 117.98 115.23 3lko s PHE 56 Ca 0.39 -0.53 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 3lko s PHE 56 Cb 0.02 0.03 0.12 0.00 -0.63 0.00 0.00 43.02 42.56 3lko s PHE 56 CO 0.27 -0.65 1.01 -1.12 -0.05 0.00 0.00 175.22 174.68 3lko s SER 57 N -2.88 4.34 0.58 1.98 0.01 0.50 -4.92 113.70 113.31 3lko s SER 57 Ca 0.09 -0.15 0.31 0.00 1.31 0.00 0.00 55.95 57.51 3lko s SER 57 Cb 0.03 -0.27 1.78 0.00 0.21 0.00 0.00 66.02 67.77 3lko s SER 57 CO -0.07 -1.86 2.21 0.11 0.41 0.00 0.00 173.24 174.03 3lko h LYS 58 N -0.61 0.00 -0.25 12.44 1.57 -2.03 0.49 116.57 128.18 3lko h LYS 58 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3lko h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3lko h LYS 58 CO 0.43 0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 178.95 3lko n ASP 59 N -3.66 1.36 0.00 0.86 5.68 -1.26 -4.91 116.55 114.61 3lko n ASP 59 Ca -0.03 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 3lko n ASP 59 Cb 0.13 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3lko n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3lko n TRP 60 N 0.23 0.00 -2.17 2.11 7.02 0.16 -5.01 117.44 119.79 3lko n TRP 60 Ca 0.09 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.16 3lko n TRP 60 Cb 0.22 -0.07 -0.02 0.00 -2.42 0.00 0.00 31.31 29.02 3lko n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3lko s SER 61 N -3.78 6.84 0.55 -0.99 1.04 -1.26 -4.65 113.70 111.46 3lko s SER 61 Ca 0.00 2.62 -0.15 0.00 0.48 0.00 0.00 55.95 58.90 3lko s SER 61 Cb 0.00 -2.64 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 3lko s SER 61 CO 0.00 -0.48 1.00 -0.36 0.98 0.00 0.00 173.24 174.38 3lko s PHE 62 N -1.08 3.47 0.00 5.02 0.08 -0.53 -0.37 117.98 124.58 3lko s PHE 62 Ca 0.49 1.42 -0.07 0.00 0.12 0.00 0.00 56.93 58.89 3lko s PHE 62 Cb -0.39 -2.78 -0.00 0.00 -0.57 0.00 0.00 43.02 39.28 3lko s PHE 62 CO 0.51 -0.51 0.12 1.52 -0.10 0.00 0.00 175.22 176.76 3lko s TYR 63 N -2.78 0.06 -0.04 0.36 -0.85 -0.99 -1.51 117.35 111.60 3lko s TYR 63 Ca 0.58 -0.17 -0.11 0.00 -0.52 0.00 0.00 57.07 56.85 3lko s TYR 63 Cb -0.11 -0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.19 3lko s TYR 63 CO 0.38 -0.28 0.26 -0.51 -1.52 0.00 0.00 175.55 173.88 3lko s LEU 64 N -1.40 1.04 -0.18 -3.49 1.43 -0.02 -3.78 118.68 112.28 3lko s LEU 64 Ca -0.15 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3lko s LEU 64 Cb -0.08 1.01 -0.01 0.00 0.03 0.00 0.00 46.19 47.14 3lko s LEU 64 CO 0.01 -0.30 -0.06 -0.22 0.23 0.00 0.00 176.35 176.02 3lko s LEU 65 N -0.78 2.95 -0.09 1.79 2.96 -1.26 -1.57 118.68 122.67 3lko s LEU 65 Ca -0.09 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3lko s LEU 65 Cb -0.05 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3lko s LEU 65 CO 0.02 0.07 0.05 -0.31 -1.32 0.00 0.00 176.35 174.86 3lko s TYR 66 N 0.95 3.31 -0.02 5.38 2.02 0.10 -1.27 117.35 127.82 3lko s TYR 66 Ca -0.01 0.31 -0.21 0.00 -0.37 0.00 0.00 57.07 56.79 3lko s TYR 66 Cb -0.15 -1.84 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 3lko s TYR 66 CO 0.01 0.56 0.46 1.52 -1.57 0.00 0.00 175.55 176.53 3lko s TYR 67 N -0.94 -0.37 -0.07 2.71 -0.85 0.08 -0.68 117.35 117.23 3lko s TYR 67 Ca 0.14 0.58 -0.20 0.00 -0.52 0.00 0.00 57.07 57.07 3lko s TYR 67 Cb -0.12 0.23 0.04 0.00 0.38 0.00 0.00 41.96 42.50 3lko s TYR 67 CO 0.03 -0.50 0.46 -0.08 -1.52 0.00 0.00 175.55 173.94 3lko s THR 68 N -1.46 0.02 0.36 -3.49 -1.32 -0.92 -1.22 115.64 107.62 3lko s THR 68 Ca -0.11 -0.21 -0.28 0.00 -1.21 0.00 0.00 61.69 59.88 3lko s THR 68 Cb -0.03 -0.74 -0.11 0.00 -1.51 0.00 0.00 72.50 70.12 3lko s THR 68 CO 0.05 -0.11 1.44 -0.70 -2.21 0.00 0.00 174.62 173.09 3lko s GLU 69 N -0.83 4.17 0.08 7.08 -6.30 -1.26 -0.77 118.70 120.88 3lko s GLU 69 Ca -0.09 2.48 -0.20 0.00 -2.50 0.00 0.00 54.97 54.66 3lko s GLU 69 Cb -0.03 -3.00 0.05 0.00 0.00 0.00 0.00 34.13 31.15 3lko s GLU 69 CO 0.05 -0.45 0.48 -0.59 0.02 0.00 0.00 175.26 174.77 3lko s PHE 70 N -1.10 -0.35 -0.32 5.30 -0.00 -0.53 -4.82 117.98 116.16 3lko s PHE 70 Ca 0.52 0.24 0.02 0.00 -0.00 0.00 0.00 56.93 57.72 3lko s PHE 70 Cb -0.45 0.32 0.09 0.00 -0.00 0.00 0.00 43.02 42.98 3lko s PHE 70 CO 0.60 -0.67 0.02 0.99 -0.00 0.00 0.00 175.22 176.16 3lko s THR 71 N -2.99 2.43 0.51 -4.49 2.01 -1.26 0.07 115.64 111.91 3lko s THR 71 Ca -0.02 -2.04 -0.23 0.00 0.31 0.00 0.00 61.69 59.71 3lko s THR 71 Cb 0.00 -2.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 3lko s THR 71 CO -0.06 -0.41 1.38 -2.16 -0.69 0.00 0.00 174.62 172.67 3lko s PRO 72 N 1.01 3.34 0.31 4.92 0.04 -1.26 -4.80 135.00 138.57 3lko s PRO 72 Ca 0.04 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.40 3lko s PRO 72 Cb -0.20 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 3lko s PRO 72 CO -0.06 -1.05 0.10 0.95 0.04 0.00 0.00 177.00 176.98 3lko s THR 73 N -1.27 0.71 0.21 1.26 -4.23 -1.26 -0.97 115.64 110.08 3lko s THR 73 Ca 0.68 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.09 3lko s THR 73 Cb -0.41 -2.61 0.14 0.00 1.34 0.00 0.00 72.50 70.96 3lko s THR 73 CO 0.50 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.36 3lko h GLU 74 N 2.16 0.85 0.00 3.99 4.81 -1.97 -3.33 114.58 121.10 3lko h GLU 74 Ca -0.38 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3lko h GLU 74 Cb 1.25 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3lko h GLU 74 CO 0.61 0.57 -1.79 1.63 -0.73 0.00 0.00 179.01 179.30 3lko n LYS 75 N -4.65 0.59 -2.15 1.92 5.02 -1.26 -4.95 118.16 112.68 3lko n LYS 75 Ca 0.07 -0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 3lko n LYS 75 Cb 0.08 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3lko n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3lko s ASP 76 N -4.05 6.81 -0.18 4.39 1.01 -1.25 -5.01 116.67 118.39 3lko s ASP 76 Ca -0.06 2.40 -0.07 0.00 0.71 0.00 0.00 52.55 55.53 3lko s ASP 76 Cb 0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3lko s ASP 76 CO 0.77 -0.63 0.05 -1.61 0.21 0.00 0.00 175.17 173.95 3lko s GLU 77 N 0.63 3.91 0.25 8.23 2.02 -1.26 -4.70 118.70 127.77 3lko s GLU 77 Ca 0.62 -0.38 0.10 0.00 0.02 0.00 0.00 54.97 55.34 3lko s GLU 77 Cb -0.38 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.63 3lko s GLU 77 CO 0.34 0.23 -0.10 0.71 0.02 0.00 0.00 175.26 176.46 3lko s TYR 78 N 0.46 2.52 0.18 1.61 2.02 -1.26 0.16 117.35 123.04 3lko s TYR 78 Ca 0.02 -0.27 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 3lko s TYR 78 Cb -0.13 -1.15 0.05 0.00 -0.40 0.00 0.00 41.96 40.34 3lko s TYR 78 CO 0.01 0.62 0.79 0.00 -1.57 0.00 0.00 175.55 175.39 3lko s ALA 79 N -2.19 -1.51 -0.03 3.71 0.00 -0.75 -0.58 121.76 120.41 3lko s ALA 79 Ca 0.29 0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.49 3lko s ALA 79 Cb -0.07 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3lko s ALA 79 CO 0.16 -0.93 -0.24 0.00 0.00 0.00 0.00 175.76 174.75 3lko s ARG 81 N -0.45 2.96 -0.07 0.00 3.52 0.70 -1.35 118.95 124.26 3lko s ARG 81 Ca 0.06 -0.84 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 3lko s ARG 81 Cb -0.10 -2.37 0.01 0.00 -1.56 0.00 0.00 34.95 30.93 3lko s ARG 81 CO 0.00 0.02 -0.12 0.08 -0.81 0.00 0.00 175.30 174.47 3lko s VAL 82 N 0.74 1.15 0.09 7.11 1.01 -0.27 -0.97 120.40 129.26 3lko s VAL 82 Ca -0.09 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.51 3lko s VAL 82 Cb -0.16 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3lko s VAL 82 CO 0.00 0.36 -0.24 0.21 0.00 0.00 0.00 175.10 175.43 3lko s ASN 83 N 0.78 2.93 0.17 3.32 3.84 -0.42 -0.42 114.94 125.14 3lko s ASN 83 Ca -0.12 -0.66 -0.17 0.00 0.21 0.00 0.00 52.86 52.11 3lko s ASN 83 Cb -0.15 -0.21 0.03 0.00 -0.55 0.00 0.00 41.25 40.37 3lko s ASN 83 CO 0.02 0.16 0.48 -2.28 -2.79 0.00 0.00 177.10 172.69 3lko s HIS 84 N -0.99 -0.17 0.45 0.43 5.65 -1.26 -1.60 115.29 117.80 3lko s HIS 84 Ca 0.10 -0.15 0.12 0.00 0.25 0.00 0.00 55.06 55.38 3lko s HIS 84 Cb -0.10 0.35 1.03 0.00 -1.18 0.00 0.00 32.58 32.68 3lko s HIS 84 CO 0.04 -0.83 2.07 -0.24 -0.65 0.00 0.00 174.74 175.13 3lko h VAL 85 N 2.25 1.02 0.00 0.89 3.04 -1.95 -2.06 116.25 119.44 3lko h VAL 85 Ca -0.31 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3lko h VAL 85 Cb 1.26 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 3lko h VAL 85 CO 0.41 0.06 0.00 0.35 -1.01 0.00 0.00 177.57 177.38 3lko n THR 86 N -4.49 0.86 -3.85 3.17 -2.24 -1.26 -4.72 114.28 101.75 3lko n THR 86 Ca 0.03 0.29 -0.35 0.00 -2.27 0.00 0.00 64.05 61.74 3lko n THR 86 Cb 0.15 -1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 67.07 3lko n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3lko s LEU 87 N -4.43 3.93 0.23 3.22 1.43 -0.78 -5.00 118.68 117.29 3lko s LEU 87 Ca 0.04 0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3lko s LEU 87 Cb 0.09 -2.02 0.27 0.00 0.03 0.00 0.00 46.19 44.56 3lko s LEU 87 CO 0.36 0.13 1.85 0.28 0.23 0.00 0.00 176.35 179.21 3lko h SER 88 N 7.00 0.78 -5.27 2.29 0.02 -1.85 -3.44 113.55 113.08 3lko h SER 88 Ca -0.38 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.45 3lko h SER 88 Cb 1.17 -0.16 -0.15 0.00 0.14 0.00 0.00 62.40 63.40 3lko h SER 88 CO 0.69 0.52 -0.59 -1.10 -1.14 0.00 0.00 176.83 175.21 3lko s GLN 89 N -6.09 0.76 0.27 3.45 -1.52 -1.26 -5.13 119.66 110.14 3lko s GLN 89 Ca -0.13 -1.22 -0.31 0.00 -1.95 0.00 0.00 55.36 51.75 3lko s GLN 89 Cb 0.17 0.25 -0.12 0.00 -0.22 0.00 0.00 33.01 33.09 3lko s GLN 89 CO 0.78 -0.20 1.50 -2.30 -0.25 0.00 0.00 175.29 174.83 3lko n PRO 90 N 0.01 2.37 -3.52 2.91 -0.02 -1.26 -4.91 135.00 130.58 3lko n PRO 90 Ca -0.12 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 61.84 3lko n PRO 90 Cb 0.62 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3lko n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3lko s LYS 91 N -0.44 4.19 -0.21 -0.52 2.20 0.44 -4.88 119.74 120.52 3lko s LYS 91 Ca 0.66 0.04 -0.07 0.00 -0.36 0.00 0.00 55.97 56.25 3lko s LYS 91 Cb -0.57 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.23 3lko s LYS 91 CO 0.49 0.11 0.05 0.42 -0.36 0.00 0.00 175.35 176.06 3lko s ILE 92 N 0.88 4.40 -0.17 5.43 1.01 -1.26 -1.11 121.20 130.37 3lko s ILE 92 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 3lko s ILE 92 Cb -0.14 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 3lko s ILE 92 CO 0.05 0.40 -0.10 -0.69 0.00 0.00 0.00 174.94 174.60 3lko s VAL 93 N 1.03 3.05 0.38 2.92 1.01 -0.46 -4.98 120.40 123.35 3lko s VAL 93 Ca 0.03 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 3lko s VAL 93 Cb -0.14 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.81 3lko s VAL 93 CO 0.03 0.48 0.91 -0.54 0.00 0.00 0.00 175.10 175.98 3lko s LYS 94 N 0.95 4.29 -0.10 2.72 1.02 -1.26 -0.92 119.74 126.44 3lko s LYS 94 Ca -0.02 1.09 -0.30 0.00 0.02 0.00 0.00 55.97 56.77 3lko s LYS 94 Cb -0.15 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 3lko s LYS 94 CO -0.01 0.10 1.05 -0.46 -0.92 0.00 0.00 175.35 175.11 3lko s TRP 95 N -1.98 3.44 -0.10 3.18 -0.00 0.25 -4.84 118.94 118.89 3lko s TRP 95 Ca 0.57 1.51 0.01 0.00 -0.00 0.00 0.00 56.10 58.19 3lko s TRP 95 Cb -0.12 -3.24 0.02 0.00 -0.00 0.00 0.00 33.47 30.13 3lko s TRP 95 CO 0.17 -0.46 -0.12 0.34 -0.00 0.00 0.00 176.95 176.88 3lko s ASP 96 N 1.18 2.16 0.40 5.86 -1.08 -1.26 -4.76 116.67 119.16 3lko s ASP 96 Ca 0.50 -0.35 0.28 0.00 -0.52 0.00 0.00 52.55 52.46 3lko s ASP 96 Cb -0.19 -0.93 1.04 0.00 -1.46 0.00 0.00 42.92 41.37 3lko s ASP 96 CO 0.18 -0.03 1.82 0.03 0.52 0.00 0.00 175.17 177.70 3lko h ARG 97 N 7.56 0.00 -0.67 4.34 3.08 -1.96 -2.45 114.38 124.28 3lko h ARG 97 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3lko h ARG 97 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3lko h ARG 97 CO 0.46 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.11 3lko n ASP 98 N -2.70 4.21 0.00 7.04 8.00 -1.26 -4.89 116.55 126.95 3lko n ASP 98 Ca 0.02 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.95 3lko n ASP 98 Cb 0.32 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 3lko n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04