#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpl s GLN 2 N 0.00 0.89 -0.05 6.28 -0.21 -1.26 -4.69 119.66 120.62 3kpl s GLN 2 Ca 0.00 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.66 3kpl s GLN 2 Cb 0.00 -0.89 0.00 0.00 1.00 0.00 0.00 33.01 33.13 3kpl s GLN 2 CO 0.00 0.22 -0.15 1.03 -2.12 0.00 0.00 175.29 174.27 3kpl s ARG 3 N -1.17 1.69 0.13 2.91 0.52 0.67 -4.93 118.95 118.77 3kpl s ARG 3 Ca 0.01 -0.51 -0.25 0.00 -0.52 0.00 0.00 55.73 54.46 3kpl s ARG 3 Cb -0.08 -1.44 -0.07 0.00 0.52 0.00 0.00 34.95 33.88 3kpl s ARG 3 CO 0.01 0.15 0.76 -0.08 0.02 0.00 0.00 175.30 176.17 3kpl s THR 4 N 0.28 4.47 0.33 0.02 -1.32 -1.26 -1.97 115.64 116.19 3kpl s THR 4 Ca -0.08 1.67 -0.29 0.00 -1.21 0.00 0.00 61.69 61.78 3kpl s THR 4 Cb -0.13 -4.12 -0.10 0.00 -1.51 0.00 0.00 72.50 66.64 3kpl s THR 4 CO 0.03 0.49 1.37 -2.16 -2.21 0.00 0.00 174.62 172.13 3kpl s PRO 5 N -0.88 4.28 0.33 7.08 0.04 -1.26 -4.43 135.00 140.17 3kpl s PRO 5 Ca 0.36 2.31 -0.23 0.00 0.04 0.00 0.00 61.00 63.48 3kpl s PRO 5 Cb -0.22 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 3kpl s PRO 5 CO 0.25 -0.30 0.90 0.15 0.04 0.00 0.00 177.00 178.04 3kpl s LYS 6 N -1.70 4.42 -0.06 4.56 1.02 0.29 -4.90 119.74 123.37 3kpl s LYS 6 Ca 0.51 1.18 0.01 0.00 0.02 0.00 0.00 55.97 57.68 3kpl s LYS 6 Cb -0.42 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 3kpl s LYS 6 CO 0.54 0.22 -0.06 0.42 -0.92 0.00 0.00 175.35 175.56 3kpl s ILE 7 N -1.75 0.69 -0.07 2.17 1.01 -1.26 -1.69 121.20 120.29 3kpl s ILE 7 Ca 0.52 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.02 3kpl s ILE 7 Cb -0.16 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.62 3kpl s ILE 7 CO 0.20 0.27 -0.12 -1.10 0.00 0.00 0.00 174.94 174.20 3kpl s GLN 8 N 1.16 1.69 -0.12 2.79 -0.21 -0.77 -5.00 119.66 119.22 3kpl s GLN 8 Ca -0.07 -0.40 -0.03 0.00 0.02 0.00 0.00 55.36 54.89 3kpl s GLN 8 Cb -0.14 -1.44 -0.03 0.00 1.00 0.00 0.00 33.01 32.40 3kpl s GLN 8 CO -0.01 -0.01 -0.02 0.08 -2.12 0.00 0.00 175.29 173.21 3kpl s VAL 9 N 0.80 4.13 -0.06 1.09 1.01 -1.26 -0.53 120.40 125.59 3kpl s VAL 9 Ca -0.12 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 3kpl s VAL 9 Cb -0.15 -2.77 0.12 0.00 0.00 0.00 0.00 36.38 33.58 3kpl s VAL 9 CO 0.02 0.55 1.23 -0.72 0.00 0.00 0.00 175.10 176.19 3kpl s TYR 10 N -0.34 -0.08 0.15 5.22 1.13 -0.51 -4.61 117.35 118.31 3kpl s TYR 10 Ca 0.06 -0.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.74 3kpl s TYR 10 Cb -0.12 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 3kpl s TYR 10 CO 0.02 -0.30 0.17 -1.54 -2.51 0.00 0.00 175.55 171.40 3kpl s SER 11 N -2.72 5.76 0.12 -0.18 1.04 -1.26 0.57 113.70 117.03 3kpl s SER 11 Ca 0.12 -0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.33 3kpl s SER 11 Cb 0.03 -1.58 -0.05 0.00 0.10 0.00 0.00 66.02 64.51 3kpl s SER 11 CO -0.04 0.07 1.73 -0.09 0.98 0.00 0.00 173.24 175.90 3kpl h ARG 12 N 2.39 0.35 -6.21 4.02 2.43 -1.61 -3.45 114.38 112.31 3kpl h ARG 12 Ca -0.48 -0.04 -0.56 0.00 -0.81 0.00 0.00 59.98 58.10 3kpl h ARG 12 Cb 1.20 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.58 3kpl h ARG 12 CO 0.65 0.29 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.75 3kpl s HIS 13 N -5.94 2.71 0.53 2.20 3.76 -1.26 -5.05 115.29 112.23 3kpl s HIS 13 Ca -0.13 -0.22 -0.22 0.00 -0.15 0.00 0.00 55.06 54.34 3kpl s HIS 13 Cb 0.09 -1.20 -0.06 0.00 1.11 0.00 0.00 32.58 32.51 3kpl s HIS 13 CO 0.71 0.62 1.22 -2.30 -0.85 0.00 0.00 174.74 174.13 3kpl n PRO 14 N -0.86 1.49 -2.53 8.40 -0.02 -1.26 -4.89 135.00 135.34 3kpl n PRO 14 Ca -0.07 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3kpl n PRO 14 Cb 0.59 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3kpl n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kpl s ALA 15 N -1.33 3.45 -0.08 3.55 0.00 -1.26 -5.02 121.76 121.07 3kpl s ALA 15 Ca 0.71 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 3kpl s ALA 15 Cb -0.44 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.23 3kpl s ALA 15 CO 0.50 -0.67 0.00 -2.00 0.00 0.00 0.00 175.76 173.60 3kpl s GLU 16 N 2.01 0.61 0.26 0.00 2.12 -1.26 -5.13 118.70 117.31 3kpl s GLU 16 Ca 0.54 0.07 -0.31 0.00 0.36 0.00 0.00 54.97 55.64 3kpl s GLU 16 Cb -0.23 -1.05 -0.13 0.00 0.26 0.00 0.00 34.13 32.98 3kpl s GLU 16 CO 0.22 -0.33 1.41 0.09 -0.54 0.00 0.00 175.26 176.11 3kpl n ASN 17 N 5.14 2.88 0.00 -1.70 3.02 -1.26 -1.65 115.26 121.68 3kpl n ASN 17 Ca -0.07 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 3kpl n ASN 17 Cb 0.50 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 3kpl n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kpl n GLY 18 N 1.96 1.17 3.48 7.41 0.00 -0.17 -5.00 105.19 114.02 3kpl n GLY 18 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3kpl n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kpl s LYS 19 N -0.02 3.69 0.45 1.61 2.47 -0.66 -4.98 119.74 122.30 3kpl s LYS 19 Ca 0.00 -0.47 -0.25 0.00 -1.56 0.00 0.00 55.97 53.69 3kpl s LYS 19 Cb 0.00 -3.21 -0.09 0.00 -1.46 0.00 0.00 37.83 33.07 3kpl s LYS 19 CO 0.00 -0.03 1.39 0.45 0.16 0.00 0.00 175.35 177.32 3kpl n SER 20 N 4.43 3.10 -2.08 1.43 2.88 -1.26 -4.21 113.62 117.91 3kpl n SER 20 Ca -0.17 1.11 -0.05 0.00 -1.33 0.00 0.00 58.87 58.44 3kpl n SER 20 Cb 0.52 -1.58 0.02 0.00 -0.75 0.00 0.00 64.21 62.42 3kpl n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3kpl n ASN 21 N -0.13 -1.28 -4.12 -3.46 2.85 0.71 -4.98 115.26 104.85 3kpl n ASN 21 Ca 0.06 -1.86 -0.28 0.00 -0.11 0.00 0.00 54.58 52.39 3kpl n ASN 21 Cb 0.41 2.12 -0.17 0.00 1.24 0.00 0.00 39.78 43.38 3kpl n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3kpl s PHE 22 N -4.85 1.96 -0.21 1.20 0.40 -1.26 -0.20 117.98 115.03 3kpl s PHE 22 Ca 0.10 -0.76 -0.16 0.00 -0.60 0.00 0.00 56.93 55.51 3kpl s PHE 22 Cb -0.03 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 3kpl s PHE 22 CO 0.06 -0.33 0.42 -1.17 0.70 0.00 0.00 175.22 174.91 3kpl s LEU 23 N 0.48 4.14 -0.07 -0.37 2.96 -0.01 -1.38 118.68 124.43 3kpl s LEU 23 Ca -0.16 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3kpl s LEU 23 Cb -0.16 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 3kpl s LEU 23 CO 0.06 -0.11 -0.10 0.20 -1.32 0.00 0.00 176.35 175.08 3kpl s ASN 24 N 1.12 4.38 -0.19 3.68 0.01 0.19 -1.91 114.94 122.23 3kpl s ASN 24 Ca 0.20 -0.11 0.01 0.00 -0.71 0.00 0.00 52.86 52.25 3kpl s ASN 24 Cb -0.15 -1.12 0.03 0.00 0.41 0.00 0.00 41.25 40.42 3kpl s ASN 24 CO 0.08 0.33 -0.14 0.00 -1.51 0.00 0.00 177.10 175.87 3kpl s TYR 26 N 1.36 3.18 -0.17 0.00 5.04 0.31 -0.26 117.35 126.82 3kpl s TYR 26 Ca 0.01 -0.99 -0.06 0.00 -2.44 0.00 0.00 57.07 53.59 3kpl s TYR 26 Cb -0.15 -2.30 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 3kpl s TYR 26 CO -0.10 -0.59 0.04 0.14 -1.34 0.00 0.00 175.55 173.70 3kpl s VAL 27 N 1.51 4.60 0.19 3.14 -7.23 -0.16 -1.84 120.40 120.60 3kpl s VAL 27 Ca 0.02 -0.10 -0.09 0.00 -1.81 0.00 0.00 61.98 59.99 3kpl s VAL 27 Cb -0.18 -3.06 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 3kpl s VAL 27 CO 0.04 0.48 0.32 -0.94 -0.31 0.00 0.00 175.10 174.68 3kpl s SER 28 N 0.27 0.01 -0.74 4.85 1.04 -0.68 -0.62 113.70 117.84 3kpl s SER 28 Ca 0.02 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3kpl s SER 28 Cb -0.13 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3kpl s SER 28 CO 0.01 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.89 3kpl n GLY 29 N -0.26 0.90 3.84 7.32 0.00 -0.67 0.10 105.19 116.43 3kpl n GLY 29 Ca -0.05 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 3kpl n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kpl s PHE 30 N -2.26 3.28 -0.27 1.61 -0.12 -1.19 -4.31 117.98 114.73 3kpl s PHE 30 Ca 0.00 0.07 -0.17 0.00 -0.05 0.00 0.00 56.93 56.78 3kpl s PHE 30 Cb 0.00 -1.61 0.08 0.00 -0.63 0.00 0.00 43.02 40.86 3kpl s PHE 30 CO 0.00 0.53 0.67 -1.58 -0.05 0.00 0.00 175.22 174.79 3kpl s HIS 31 N -1.62 -0.97 0.48 3.49 2.46 -0.83 -0.82 115.29 117.48 3kpl s HIS 31 Ca 0.32 2.01 -0.08 0.00 0.47 0.00 0.00 55.06 57.78 3kpl s HIS 31 Cb -0.11 0.53 0.12 0.00 -0.13 0.00 0.00 32.58 32.99 3kpl s HIS 31 CO 0.25 -0.48 0.48 -0.35 -2.47 0.00 0.00 174.74 172.16 3kpl n PRO 32 N 3.99 -1.52 0.07 2.88 -0.04 -1.26 -0.24 135.00 138.87 3kpl n PRO 32 Ca -0.19 -0.75 -0.03 0.00 -0.04 0.00 0.00 63.50 62.48 3kpl n PRO 32 Cb 0.58 -0.64 -0.07 0.00 -0.04 0.00 0.00 33.50 33.32 3kpl n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kpl h SER 33 N -1.44 0.00 -2.55 3.54 4.64 -2.00 -3.46 113.55 112.28 3kpl h SER 33 Ca -0.17 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.62 3kpl h SER 33 Cb 0.51 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.65 3kpl h SER 33 CO 0.11 0.78 1.04 0.47 -0.87 0.00 0.00 176.83 178.36 3kpl n ASP 34 N -3.19 3.94 -3.67 4.97 8.00 -1.26 -4.98 116.55 120.36 3kpl n ASP 34 Ca -0.04 1.03 -0.15 0.00 0.71 0.00 0.00 54.79 56.35 3kpl n ASP 34 Cb 0.88 -1.55 -0.08 0.00 -0.02 0.00 0.00 41.12 40.35 3kpl n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3kpl s ILE 35 N 1.80 0.02 -0.15 0.53 2.07 -1.26 -4.62 121.20 119.60 3kpl s ILE 35 Ca 0.78 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 3kpl s ILE 35 Cb -0.51 -0.76 -0.00 0.00 0.13 0.00 0.00 42.46 41.32 3kpl s ILE 35 CO 0.35 -0.10 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.41 3kpl s GLU 36 N -0.78 3.19 -0.06 3.50 2.12 -0.27 -4.99 118.70 121.40 3kpl s GLU 36 Ca -0.09 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.48 3kpl s GLU 36 Cb -0.03 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.81 3kpl s GLU 36 CO 0.05 0.04 -0.06 0.08 -0.54 0.00 0.00 175.26 174.83 3kpl s VAL 37 N 0.74 0.72 -0.04 3.70 1.01 -1.26 -0.43 120.40 124.84 3kpl s VAL 37 Ca -0.07 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3kpl s VAL 37 Cb -0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3kpl s VAL 37 CO 0.01 0.28 -0.23 -1.81 0.00 0.00 0.00 175.10 173.34 3kpl s ASP 38 N 1.10 2.83 -0.10 3.32 1.01 0.65 -4.97 116.67 120.51 3kpl s ASP 38 Ca -0.08 -0.46 -0.18 0.00 0.71 0.00 0.00 52.55 52.55 3kpl s ASP 38 Cb -0.14 -0.60 -0.04 0.00 1.01 0.00 0.00 42.92 43.15 3kpl s ASP 38 CO -0.01 0.25 0.47 -0.76 0.21 0.00 0.00 175.17 175.33 3kpl s LEU 39 N -0.29 4.30 -0.08 1.23 1.43 -1.26 -0.05 118.68 123.96 3kpl s LEU 39 Ca 0.01 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 3kpl s LEU 39 Cb -0.12 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3kpl s LEU 39 CO 0.02 0.05 -0.09 -0.76 0.23 0.00 0.00 176.35 175.80 3kpl s LEU 40 N 0.38 3.04 -0.29 1.79 1.43 0.82 -1.10 118.68 124.75 3kpl s LEU 40 Ca 0.25 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3kpl s LEU 40 Cb -0.15 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.46 3kpl s LEU 40 CO 0.11 0.32 -0.03 -0.75 0.23 0.00 0.00 176.35 176.22 3kpl s LYS 41 N -0.53 2.30 -1.43 1.70 2.20 0.49 -2.07 119.74 122.40 3kpl s LYS 41 Ca 0.08 -1.34 -0.07 0.00 -0.36 0.00 0.00 55.97 54.28 3kpl s LYS 41 Cb -0.12 -3.09 0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3kpl s LYS 41 CO 0.02 -0.63 0.81 0.09 -0.36 0.00 0.00 175.35 175.28 3kpl n ASN 42 N 4.53 -2.78 0.00 1.43 3.02 -0.18 -2.25 115.26 119.03 3kpl n ASN 42 Ca -0.12 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3kpl n ASN 42 Cb 0.43 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 3kpl n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kpl n GLY 43 N -1.66 2.42 3.84 7.41 0.00 -1.26 -5.01 105.19 110.92 3kpl n GLY 43 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3kpl n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kpl s GLU 44 N -0.23 3.28 0.07 1.61 2.02 -0.96 -5.01 118.70 119.49 3kpl s GLU 44 Ca 0.00 -0.32 -0.31 0.00 0.02 0.00 0.00 54.97 54.36 3kpl s GLU 44 Cb 0.00 -3.02 -0.08 0.00 0.10 0.00 0.00 34.13 31.13 3kpl s GLU 44 CO 0.00 0.70 1.60 0.50 0.02 0.00 0.00 175.26 178.08 3kpl s ARG 45 N -1.49 4.22 0.02 1.61 3.52 -1.26 -0.38 118.95 125.18 3kpl s ARG 45 Ca 0.21 2.27 -0.30 0.00 -0.13 0.00 0.00 55.73 57.78 3kpl s ARG 45 Cb -0.12 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3kpl s ARG 45 CO 0.11 -0.68 0.98 0.42 -0.81 0.00 0.00 175.30 175.31 3kpl s ILE 46 N 2.35 4.81 0.44 4.11 1.01 -0.26 -4.87 121.20 128.80 3kpl s ILE 46 Ca 0.72 2.06 -0.14 0.00 0.00 0.00 0.00 60.65 63.29 3kpl s ILE 46 Cb -0.39 -4.32 -0.07 0.00 0.01 0.00 0.00 42.46 37.69 3kpl s ILE 46 CO 0.31 0.19 0.86 -1.61 0.00 0.00 0.00 174.94 174.69 3kpl s GLU 47 N 0.85 3.89 -1.21 2.79 2.02 -1.26 -4.34 118.70 121.43 3kpl s GLU 47 Ca 0.51 0.70 -0.01 0.00 0.02 0.00 0.00 54.97 56.19 3kpl s GLU 47 Cb -0.21 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3kpl s GLU 47 CO 0.28 -0.11 0.17 1.63 0.02 0.00 0.00 175.26 177.25 3kpl n LYS 48 N -1.29 -2.09 -2.32 1.61 5.02 -1.26 -4.97 118.16 112.87 3kpl n LYS 48 Ca 0.04 0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 3kpl n LYS 48 Cb 0.54 -5.02 -0.03 0.00 -0.02 0.00 0.00 35.03 30.50 3kpl n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kpl s VAL 49 N -2.84 3.65 0.44 -0.18 1.01 -1.26 -4.98 120.40 116.24 3kpl s VAL 49 Ca 0.08 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.30 3kpl s VAL 49 Cb -0.04 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3kpl s VAL 49 CO 0.10 0.12 0.66 -1.61 0.00 0.00 0.00 175.10 174.37 3kpl s GLU 50 N 0.75 3.13 0.12 2.72 2.02 -0.83 -4.92 118.70 121.69 3kpl s GLU 50 Ca 0.59 -0.46 -0.04 0.00 0.02 0.00 0.00 54.97 55.08 3kpl s GLU 50 Cb -0.33 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 3kpl s GLU 50 CO 0.32 -0.22 0.12 -3.38 0.02 0.00 0.00 175.26 172.12 3kpl s HIS 51 N -2.53 0.57 0.73 1.61 -3.43 -1.26 -1.44 115.29 109.54 3kpl s HIS 51 Ca 0.47 -0.98 -0.11 0.00 -0.80 0.00 0.00 55.06 53.64 3kpl s HIS 51 Cb -0.10 -0.29 0.03 0.00 -1.43 0.00 0.00 32.58 30.79 3kpl s HIS 51 CO 0.38 -0.55 1.08 -1.54 -2.00 0.00 0.00 174.74 172.11 3kpl s SER 52 N -2.97 5.15 0.45 7.38 1.04 -0.22 -5.00 113.70 119.52 3kpl s SER 52 Ca 0.16 1.32 -0.23 0.00 0.48 0.00 0.00 55.95 57.69 3kpl s SER 52 Cb 0.06 -2.14 -0.08 0.00 0.10 0.00 0.00 66.02 63.96 3kpl s SER 52 CO -0.03 -1.55 1.11 -1.81 0.98 0.00 0.00 173.24 171.93 3kpl s ASP 53 N -4.06 6.36 0.05 7.02 1.01 -1.26 -4.76 116.67 121.04 3kpl s ASP 53 Ca 0.59 2.16 -0.30 0.00 0.71 0.00 0.00 52.55 55.70 3kpl s ASP 53 Cb -0.13 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 3kpl s ASP 53 CO 0.54 -0.77 1.59 -0.22 0.21 0.00 0.00 175.17 176.51 3kpl s LEU 54 N -3.01 4.35 0.00 1.23 2.96 -1.26 -4.91 118.68 118.04 3kpl s LEU 54 Ca 0.63 2.38 0.03 0.00 -0.22 0.00 0.00 54.13 56.95 3kpl s LEU 54 Cb -0.24 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 3kpl s LEU 54 CO 0.30 -0.85 0.20 -1.54 -1.32 0.00 0.00 176.35 173.14 3kpl n SER 55 N 5.62 -0.52 -3.84 3.68 3.41 -1.24 -5.06 113.62 115.67 3kpl n SER 55 Ca 0.15 -2.19 -0.09 0.00 -0.26 0.00 0.00 58.87 56.48 3kpl n SER 55 Cb 0.41 1.10 -0.07 0.00 -0.26 0.00 0.00 64.21 65.39 3kpl n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3kpl s PHE 56 N -3.08 0.14 0.71 7.33 -0.71 -1.26 -1.36 117.98 119.74 3kpl s PHE 56 Ca 0.21 -0.54 0.00 0.00 -1.04 0.00 0.00 56.93 55.56 3kpl s PHE 56 Cb 0.01 -0.01 0.13 0.00 -1.21 0.00 0.00 43.02 41.93 3kpl s PHE 56 CO 0.15 -0.60 0.98 -1.12 -1.34 0.00 0.00 175.22 173.29 3kpl s SER 57 N -2.87 4.38 0.60 1.98 0.01 0.23 -4.92 113.70 113.11 3kpl s SER 57 Ca 0.07 -0.42 0.31 0.00 1.31 0.00 0.00 55.95 57.21 3kpl s SER 57 Cb 0.04 0.04 1.79 0.00 0.21 0.00 0.00 66.02 68.10 3kpl s SER 57 CO -0.09 -1.84 2.18 0.11 0.41 0.00 0.00 173.24 174.01 3kpl h LYS 58 N -0.48 0.00 -0.21 12.44 1.57 -2.03 0.15 116.57 128.01 3kpl h LYS 58 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3kpl h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3kpl h LYS 58 CO 0.40 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.88 3kpl n ASP 59 N -3.72 1.37 0.00 0.86 5.75 -1.26 -4.92 116.55 114.63 3kpl n ASP 59 Ca -0.01 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3kpl n ASP 59 Cb 0.21 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3kpl n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3kpl n TRP 60 N 0.19 0.00 -2.85 2.11 7.02 0.52 -5.01 117.44 119.41 3kpl n TRP 60 Ca 0.12 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.25 3kpl n TRP 60 Cb 0.25 -0.07 -0.07 0.00 -2.42 0.00 0.00 31.31 29.00 3kpl n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3kpl s SER 61 N -3.33 7.13 0.39 -0.99 1.04 -1.26 -4.67 113.70 112.01 3kpl s SER 61 Ca 0.00 1.70 -0.07 0.00 0.48 0.00 0.00 55.95 58.06 3kpl s SER 61 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 3kpl s SER 61 CO 0.00 -0.17 0.71 -0.36 0.98 0.00 0.00 173.24 174.40 3kpl s PHE 62 N -1.84 3.50 -0.00 5.02 0.08 0.00 -0.60 117.98 124.14 3kpl s PHE 62 Ca 0.54 0.86 -0.11 0.00 0.12 0.00 0.00 56.93 58.34 3kpl s PHE 62 Cb -0.14 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3kpl s PHE 62 CO 0.19 -0.07 0.22 1.52 -0.10 0.00 0.00 175.22 176.98 3kpl s TYR 63 N -2.39 -0.06 -0.08 0.36 -0.85 -0.47 -1.67 117.35 112.20 3kpl s TYR 63 Ca 0.48 0.04 -0.09 0.00 -0.52 0.00 0.00 57.07 56.98 3kpl s TYR 63 Cb -0.10 0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.28 3kpl s TYR 63 CO 0.35 -0.34 0.25 -0.51 -1.52 0.00 0.00 175.55 173.77 3kpl s LEU 64 N -1.39 1.06 -0.22 -3.49 1.43 0.21 -3.59 118.68 112.68 3kpl s LEU 64 Ca -0.14 0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.32 3kpl s LEU 64 Cb -0.06 0.89 -0.03 0.00 0.03 0.00 0.00 46.19 47.02 3kpl s LEU 64 CO 0.03 -0.14 0.03 -0.22 0.23 0.00 0.00 176.35 176.28 3kpl s LEU 65 N -0.10 3.36 -0.12 1.79 2.96 -1.26 -0.99 118.68 124.32 3kpl s LEU 65 Ca -0.02 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3kpl s LEU 65 Cb -0.02 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 3kpl s LEU 65 CO 0.01 0.04 0.04 -0.31 -1.32 0.00 0.00 176.35 174.81 3kpl s TYR 66 N 1.16 3.27 -0.03 5.38 1.51 0.64 -1.06 117.35 128.22 3kpl s TYR 66 Ca 0.03 0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 56.19 3kpl s TYR 66 Cb -0.14 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 3kpl s TYR 66 CO 0.02 0.43 0.26 1.52 -1.11 0.00 0.00 175.55 176.68 3kpl s TYR 67 N -0.56 -0.16 -0.11 2.71 1.13 -0.52 -0.16 117.35 119.67 3kpl s TYR 67 Ca 0.10 0.30 -0.16 0.00 -1.41 0.00 0.00 57.07 55.91 3kpl s TYR 67 Cb -0.12 0.07 0.04 0.00 -1.10 0.00 0.00 41.96 40.84 3kpl s TYR 67 CO 0.02 -0.31 0.40 -0.08 -2.51 0.00 0.00 175.55 173.07 3kpl s THR 68 N -0.98 0.02 0.38 -3.49 -1.32 -0.80 -1.96 115.64 107.49 3kpl s THR 68 Ca -0.10 -0.13 -0.27 0.00 -1.21 0.00 0.00 61.69 59.97 3kpl s THR 68 Cb -0.05 -0.61 -0.10 0.00 -1.51 0.00 0.00 72.50 70.23 3kpl s THR 68 CO 0.03 -0.07 1.34 -1.61 -2.21 0.00 0.00 174.62 172.09 3kpl s GLU 69 N -0.30 4.10 -0.07 7.08 2.02 -1.26 -0.83 118.70 129.43 3kpl s GLU 69 Ca -0.05 2.25 -0.28 0.00 0.02 0.00 0.00 54.97 56.92 3kpl s GLU 69 Cb -0.03 -2.89 0.06 0.00 0.10 0.00 0.00 34.13 31.37 3kpl s GLU 69 CO 0.02 -0.42 0.62 -0.59 0.02 0.00 0.00 175.26 174.92 3kpl s PHE 70 N -1.20 -0.60 -0.38 1.61 -0.71 0.72 -4.84 117.98 112.59 3kpl s PHE 70 Ca 0.54 1.10 -0.05 0.00 -1.04 0.00 0.00 56.93 57.48 3kpl s PHE 70 Cb -0.40 0.34 0.08 0.00 -1.21 0.00 0.00 43.02 41.83 3kpl s PHE 70 CO 0.53 -0.54 0.16 0.99 -1.34 0.00 0.00 175.22 175.02 3kpl s THR 71 N -0.98 3.53 0.41 -4.49 2.01 -1.26 -0.21 115.64 114.64 3kpl s THR 71 Ca -0.10 -1.63 -0.26 0.00 0.31 0.00 0.00 61.69 60.02 3kpl s THR 71 Cb -0.01 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 3kpl s THR 71 CO 0.08 -0.45 1.31 -2.16 -0.69 0.00 0.00 174.62 172.70 3kpl s PRO 72 N 1.27 3.96 0.40 4.92 0.04 -1.26 -4.82 135.00 139.51 3kpl s PRO 72 Ca 0.03 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.27 3kpl s PRO 72 Cb -0.22 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 3kpl s PRO 72 CO -0.01 -0.50 0.09 0.95 0.04 0.00 0.00 177.00 177.57 3kpl s THR 73 N -1.26 0.86 0.17 1.26 -4.23 -1.26 -1.00 115.64 110.18 3kpl s THR 73 Ca 0.57 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.94 3kpl s THR 73 Cb -0.38 -2.45 0.06 0.00 1.34 0.00 0.00 72.50 71.06 3kpl s THR 73 CO 0.49 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.26 3kpl h GLU 74 N 1.81 0.75 0.00 3.99 4.22 -1.98 -3.32 114.58 120.05 3kpl h GLU 74 Ca -0.38 -0.09 -0.08 0.00 0.08 0.00 0.00 59.36 58.88 3kpl h GLU 74 Cb 1.27 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3kpl h GLU 74 CO 0.63 0.59 -1.84 0.36 -2.18 0.00 0.00 179.01 176.57 3kpl n LYS 75 N -4.61 0.65 -2.28 1.92 2.85 -1.26 -4.90 118.16 110.52 3kpl n LYS 75 Ca 0.03 -0.07 -0.43 0.00 -1.05 0.00 0.00 58.31 56.79 3kpl n LYS 75 Cb 0.09 -1.60 -0.02 0.00 -0.65 0.00 0.00 35.03 32.85 3kpl n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kpl s ASP 76 N -4.96 6.87 0.05 -5.58 1.01 -1.25 -5.01 116.67 107.79 3kpl s ASP 76 Ca -0.07 1.92 -0.07 0.00 0.71 0.00 0.00 52.55 55.04 3kpl s ASP 76 Cb 0.11 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 3kpl s ASP 76 CO 0.87 -0.78 0.33 -1.61 0.21 0.00 0.00 175.17 174.18 3kpl s GLU 77 N 3.30 3.64 0.05 8.23 2.02 -1.26 -4.61 118.70 130.07 3kpl s GLU 77 Ca 0.61 -0.00 0.04 0.00 0.02 0.00 0.00 54.97 55.64 3kpl s GLU 77 Cb -0.27 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 3kpl s GLU 77 CO 0.21 0.59 -0.12 0.71 0.02 0.00 0.00 175.26 176.68 3kpl s TYR 78 N -1.38 1.01 0.18 1.61 2.02 -1.26 -1.01 117.35 118.51 3kpl s TYR 78 Ca 0.31 -0.44 -0.13 0.00 -0.37 0.00 0.00 57.07 56.44 3kpl s TYR 78 Cb -0.13 -0.58 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 3kpl s TYR 78 CO 0.18 0.01 0.41 0.00 -1.57 0.00 0.00 175.55 174.58 3kpl s ALA 79 N -1.18 -0.47 -0.07 3.71 0.00 -0.88 1.00 121.76 123.86 3kpl s ALA 79 Ca -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.40 3kpl s ALA 79 Cb -0.09 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3kpl s ALA 79 CO 0.01 -0.74 -0.20 0.00 0.00 0.00 0.00 175.76 174.84 3kpl s ARG 81 N -0.19 3.19 -0.06 0.00 3.52 0.93 -0.66 118.95 125.68 3kpl s ARG 81 Ca -0.02 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 3kpl s ARG 81 Cb -0.13 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 3kpl s ARG 81 CO 0.03 -0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.31 3kpl s VAL 82 N 1.13 1.59 0.00 7.11 1.01 0.09 -0.25 120.40 131.08 3kpl s VAL 82 Ca 0.01 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3kpl s VAL 82 Cb -0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3kpl s VAL 82 CO -0.05 0.45 -0.18 0.21 0.00 0.00 0.00 175.10 175.54 3kpl s ASN 83 N 0.24 2.10 0.07 3.32 3.04 0.42 -0.47 114.94 123.67 3kpl s ASN 83 Ca -0.10 -0.37 -0.10 0.00 0.04 0.00 0.00 52.86 52.33 3kpl s ASN 83 Cb -0.14 -0.21 0.01 0.00 -1.54 0.00 0.00 41.25 39.36 3kpl s ASN 83 CO 0.04 0.19 0.23 -2.28 -3.04 0.00 0.00 177.10 172.25 3kpl s HIS 84 N -0.52 0.05 0.47 0.43 5.65 -1.26 -1.12 115.29 118.99 3kpl s HIS 84 Ca 0.06 -0.37 0.23 0.00 0.25 0.00 0.00 55.06 55.23 3kpl s HIS 84 Cb -0.07 0.01 1.25 0.00 -1.18 0.00 0.00 32.58 32.58 3kpl s HIS 84 CO -0.00 -0.53 1.91 -0.24 -0.65 0.00 0.00 174.74 175.23 3kpl h VAL 85 N 2.96 0.68 0.00 0.89 3.04 -1.95 -1.04 116.25 120.83 3kpl h VAL 85 Ca -0.33 -0.07 -0.08 0.00 -1.01 0.00 0.00 66.70 65.21 3kpl h VAL 85 Cb 1.20 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 3kpl h VAL 85 CO 0.52 0.04 -0.36 0.71 -1.01 0.00 0.00 177.57 177.46 3kpl h THR 86 N 0.22 1.10 -3.42 3.17 1.35 -1.92 -3.43 112.91 109.97 3kpl h THR 86 Ca 0.39 -1.32 -0.61 0.00 -0.55 0.00 0.00 66.41 64.33 3kpl h THR 86 Cb 1.21 1.74 -0.13 0.00 -1.73 0.00 0.00 68.15 69.25 3kpl h THR 86 CO -0.08 0.36 -0.43 -0.76 -0.25 0.00 0.00 175.52 174.35 3kpl s LEU 87 N -7.75 4.17 0.24 3.87 1.43 -0.40 -4.97 118.68 115.28 3kpl s LEU 87 Ca -0.02 0.26 0.10 0.00 -1.03 0.00 0.00 54.13 53.44 3kpl s LEU 87 Cb 0.13 -2.20 0.24 0.00 0.03 0.00 0.00 46.19 44.40 3kpl s LEU 87 CO 0.70 0.09 1.54 0.77 0.23 0.00 0.00 176.35 179.68 3kpl h SER 88 N 7.09 0.00 -4.16 2.29 4.64 -1.84 -3.42 113.55 118.16 3kpl h SER 88 Ca -0.39 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.31 3kpl h SER 88 Cb 1.16 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.01 3kpl h SER 88 CO 0.71 0.69 -0.85 -1.10 -0.87 0.00 0.00 176.83 175.42 3kpl s GLN 89 N -3.41 1.38 0.30 4.77 -0.21 -1.26 -5.11 119.66 116.12 3kpl s GLN 89 Ca -0.01 -1.15 -0.30 0.00 0.02 0.00 0.00 55.36 53.93 3kpl s GLN 89 Cb 0.12 -1.66 -0.12 0.00 1.00 0.00 0.00 33.01 32.36 3kpl s GLN 89 CO 0.77 0.40 1.60 -2.30 -2.12 0.00 0.00 175.29 173.65 3kpl n PRO 90 N 1.35 2.74 -3.56 2.91 -0.02 -1.26 -4.90 135.00 132.26 3kpl n PRO 90 Ca -0.18 0.97 -0.36 0.00 -2.02 0.00 0.00 63.50 61.91 3kpl n PRO 90 Cb 0.53 -2.76 -0.07 0.00 -0.02 0.00 0.00 33.50 31.18 3kpl n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kpl s LYS 91 N -0.57 4.24 -0.16 -0.52 2.20 0.38 -4.88 119.74 120.44 3kpl s LYS 91 Ca 0.63 0.07 -0.04 0.00 -0.36 0.00 0.00 55.97 56.27 3kpl s LYS 91 Cb -0.49 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 3kpl s LYS 91 CO 0.49 0.25 -0.03 0.42 -0.36 0.00 0.00 175.35 176.12 3kpl s ILE 92 N 0.44 3.98 -0.14 5.43 1.01 -1.26 -0.73 121.20 129.94 3kpl s ILE 92 Ca 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3kpl s ILE 92 Cb -0.13 -2.75 0.02 0.00 0.01 0.00 0.00 42.46 39.61 3kpl s ILE 92 CO 0.03 0.49 -0.17 -0.69 0.00 0.00 0.00 174.94 174.60 3kpl s VAL 93 N 0.39 1.71 0.38 2.92 1.01 0.17 -4.97 120.40 122.01 3kpl s VAL 93 Ca -0.03 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 3kpl s VAL 93 Cb -0.14 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.59 3kpl s VAL 93 CO 0.03 0.48 1.00 -0.54 0.00 0.00 0.00 175.10 176.07 3kpl s LYS 94 N 1.13 4.29 0.07 2.72 1.02 -1.26 -0.46 119.74 127.25 3kpl s LYS 94 Ca -0.02 1.39 -0.31 0.00 0.02 0.00 0.00 55.97 57.05 3kpl s LYS 94 Cb -0.14 -2.55 -0.06 0.00 -0.52 0.00 0.00 37.83 34.56 3kpl s LYS 94 CO -0.06 -0.00 1.21 -0.46 -0.92 0.00 0.00 175.35 175.13 3kpl s TRP 95 N -1.74 3.42 -0.14 3.18 -0.00 0.28 -4.82 118.94 119.12 3kpl s TRP 95 Ca 0.56 1.27 -0.01 0.00 -0.00 0.00 0.00 56.10 57.93 3kpl s TRP 95 Cb -0.19 -3.44 0.04 0.00 -0.00 0.00 0.00 33.47 29.88 3kpl s TRP 95 CO 0.24 -1.37 -0.05 0.34 -0.00 0.00 0.00 176.95 176.11 3kpl s ASP 96 N 1.04 2.51 0.36 5.86 -1.08 -1.26 -4.71 116.67 119.40 3kpl s ASP 96 Ca 0.59 -0.51 0.25 0.00 -0.52 0.00 0.00 52.55 52.36 3kpl s ASP 96 Cb -0.30 -0.82 1.33 0.00 -1.46 0.00 0.00 42.92 41.67 3kpl s ASP 96 CO 0.29 -0.18 1.75 0.08 0.52 0.00 0.00 175.17 177.64 3kpl h ARG 97 N 8.17 0.00 -0.12 4.34 0.11 -1.95 0.47 114.38 125.40 3kpl h ARG 97 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 3kpl h ARG 97 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3kpl h ARG 97 CO 0.38 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.20 3kpl n ASP 98 N -2.36 2.20 -0.05 0.08 8.00 -1.26 -4.84 116.55 118.33 3kpl n ASP 98 Ca -0.02 -1.75 0.01 0.00 0.71 0.00 0.00 54.79 53.74 3kpl n ASP 98 Cb 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3kpl n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04