#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n VAL 2 N 0.00 0.24 -4.57 3.17 3.14 -1.26 -2.00 118.33 117.05 3knl n VAL 2 Ca 0.00 -0.06 -0.26 0.00 -2.96 0.00 0.00 64.34 61.05 3knl n VAL 2 Cb 0.00 -1.11 -0.11 0.00 -1.06 0.00 0.00 33.84 31.56 3knl n VAL 2 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3knl s LYS 3 N 3.86 1.86 -0.16 1.45 1.02 0.10 -4.25 119.74 123.62 3knl s LYS 3 Ca 1.02 -2.01 0.01 0.00 0.02 0.00 0.00 55.97 55.01 3knl s LYS 3 Cb -1.14 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3knl s LYS 3 CO 0.67 0.04 -0.17 0.42 -0.92 0.00 0.00 175.35 175.39 3knl s ILE 4 N -2.70 2.52 0.14 2.17 1.01 -1.24 -1.18 121.20 121.91 3knl s ILE 4 Ca 0.34 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 3knl s ILE 4 Cb 0.06 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.49 3knl s ILE 4 CO 0.17 0.52 0.26 -2.11 0.00 0.00 0.00 174.94 173.78 3knl n ARG 5 N 4.15 0.38 -3.54 2.79 1.85 0.26 -2.06 116.66 120.48 3knl n ARG 5 Ca -0.19 -0.85 -0.38 0.00 -1.00 0.00 0.00 57.85 55.43 3knl n ARG 5 Cb 0.51 0.99 -0.06 0.00 -1.05 0.00 0.00 32.46 32.86 3knl n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3knl s LEU 6 N 0.00 4.47 -0.31 2.89 1.02 -1.26 0.50 118.68 125.98 3knl s LEU 6 Ca 0.07 0.91 0.02 0.00 0.02 0.00 0.00 54.13 55.14 3knl s LEU 6 Cb -0.01 -2.53 0.08 0.00 0.02 0.00 0.00 46.19 43.74 3knl s LEU 6 CO 0.05 0.33 -0.00 0.00 0.02 0.00 0.00 176.35 176.75 3knl s ALA 7 N -1.08 2.79 0.01 4.21 0.00 -1.19 -4.87 121.76 121.64 3knl s ALA 7 Ca 0.23 -2.11 -0.30 0.00 0.00 0.00 0.00 51.96 49.77 3knl s ALA 7 Cb -0.16 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 3knl s ALA 7 CO 0.12 -1.45 1.19 0.50 0.00 0.00 0.00 175.76 176.12 3knl s ARG 8 N 1.07 4.41 0.00 0.00 3.52 -1.26 -0.97 118.95 125.71 3knl s ARG 8 Ca 0.00 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 3knl s ARG 8 Cb -0.20 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 3knl s ARG 8 CO -0.05 -0.31 0.00 1.19 -0.81 0.00 0.00 175.30 175.31 3knl n PHE 9 N 4.40 0.00 -4.27 5.12 0.99 0.58 -4.93 117.46 119.36 3knl n PHE 9 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 3knl n PHE 9 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.95 3knl n PHE 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3knl n GLY 10 N 2.27 -0.90 2.40 1.37 0.00 -1.26 -2.35 105.19 106.73 3knl n GLY 10 Ca 0.00 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 3knl n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knl n SER 11 N -0.76 2.29 -4.48 1.61 3.41 -0.54 -4.90 113.62 110.25 3knl n SER 11 Ca 0.00 -2.50 -0.46 0.00 -0.26 0.00 0.00 58.87 55.65 3knl n SER 11 Cb 0.00 0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 3knl n SER 11 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3knl n LYS 12 N -0.77 0.93 -2.26 4.33 4.81 -1.26 -0.79 118.16 123.14 3knl n LYS 12 Ca -0.11 0.19 -0.05 0.00 -0.87 0.00 0.00 58.31 57.47 3knl n LYS 12 Cb 0.43 -2.55 0.02 0.00 0.02 0.00 0.00 35.03 32.95 3knl n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3knl n HIS 13 N 11.35 -1.17 0.00 5.64 8.25 -1.26 -4.97 115.22 133.06 3knl n HIS 13 Ca 0.44 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 3knl n HIS 13 Cb 0.27 -3.09 0.00 0.00 1.12 0.00 0.00 29.99 28.30 3knl n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3knl n ASN 14 N -2.04 0.00 -4.58 0.41 5.15 0.03 -5.10 115.26 109.14 3knl n ASN 14 Ca -0.02 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.60 3knl n ASN 14 Cb 0.54 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.76 3knl n ASN 14 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3knl s PRO 15 N 0.00 3.21 -0.32 1.20 0.02 -1.25 -1.46 135.00 136.39 3knl s PRO 15 Ca 0.00 -1.51 -0.17 0.00 0.02 0.00 0.00 61.00 59.34 3knl s PRO 15 Cb 0.00 -5.38 -0.01 0.00 0.02 0.00 0.00 34.50 29.13 3knl s PRO 15 CO 0.00 -3.13 0.47 -1.01 -0.33 0.00 0.00 177.00 173.00 3knl s HIS 16 N 7.73 3.21 0.51 6.54 3.76 -0.99 -4.30 115.29 131.75 3knl s HIS 16 Ca 0.61 0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.80 3knl s HIS 16 Cb 0.01 -2.79 0.10 0.00 1.11 0.00 0.00 32.58 31.01 3knl s HIS 16 CO 0.10 -0.43 0.71 0.66 -0.85 0.00 0.00 174.74 174.92 3knl n TYR 17 N 5.58 -2.91 -3.22 1.40 4.02 -0.83 0.21 117.16 121.42 3knl n TYR 17 Ca -0.06 -1.37 -0.01 0.00 -0.01 0.00 0.00 57.90 56.45 3knl n TYR 17 Cb 0.49 -0.51 -0.02 0.00 -0.02 0.00 0.00 39.34 39.28 3knl n TYR 17 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3knl s ARG 18 N -4.29 0.61 -0.46 -0.72 3.52 -0.14 -3.19 118.95 114.28 3knl s ARG 18 Ca 0.48 0.11 -0.43 0.00 -0.13 0.00 0.00 55.73 55.76 3knl s ARG 18 Cb -0.03 0.00 -0.18 0.00 -1.56 0.00 0.00 34.95 33.18 3knl s ARG 18 CO 0.32 -1.10 1.99 -0.89 -0.81 0.00 0.00 175.30 174.81 3knl n ILE 19 N 5.02 0.05 -4.39 4.11 2.08 -0.10 -3.17 119.36 122.97 3knl n ILE 19 Ca 0.06 -0.04 -0.22 0.00 0.56 0.00 0.00 62.75 63.11 3knl n ILE 19 Cb 0.53 -0.73 -0.13 0.00 -0.75 0.00 0.00 39.64 38.56 3knl n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3knl s VAL 20 N 5.32 1.36 -0.40 1.39 0.11 0.18 -1.40 120.40 126.96 3knl s VAL 20 Ca 1.13 -1.19 -0.10 0.00 -2.93 0.00 0.00 61.98 58.89 3knl s VAL 20 Cb -1.37 -1.23 0.05 0.00 -1.53 0.00 0.00 36.38 32.31 3knl s VAL 20 CO 0.67 0.01 0.24 0.54 -3.33 0.00 0.00 175.10 173.24 3knl s VAL 21 N -0.95 4.44 0.00 2.04 0.11 0.15 -0.58 120.40 125.61 3knl s VAL 21 Ca 0.03 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 3knl s VAL 21 Cb -0.09 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 3knl s VAL 21 CO 0.02 -0.38 0.00 1.07 -3.33 0.00 0.00 175.10 172.48 3knl n THR 22 N 4.97 0.00 -3.45 5.04 5.66 -0.33 -0.69 114.28 125.49 3knl n THR 22 Ca -0.11 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.52 3knl n THR 22 Cb 0.44 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.16 3knl n THR 22 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3knl s ASP 23 N -0.90 6.59 0.33 1.09 -1.08 -1.26 0.03 116.67 121.48 3knl s ASP 23 Ca 0.00 0.70 0.08 0.00 -0.52 0.00 0.00 52.55 52.81 3knl s ASP 23 Cb 0.00 -2.23 0.79 0.00 -1.46 0.00 0.00 42.92 40.02 3knl s ASP 23 CO 0.00 0.10 1.82 0.00 0.52 0.00 0.00 175.17 177.61 3knl h ALA 24 N 6.37 1.79 0.00 3.66 0.00 -1.73 -0.35 119.26 129.00 3knl h ALA 24 Ca -0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3knl h ALA 24 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3knl h ALA 24 CO 0.73 -0.09 0.00 0.54 0.00 0.00 0.00 179.25 180.43 3knl n ARG 25 N -4.64 0.74 -2.98 0.00 1.74 -1.26 -4.82 116.66 105.43 3knl n ARG 25 Ca 0.20 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.10 3knl n ARG 25 Cb 0.54 -1.24 0.04 0.00 -1.02 0.00 0.00 32.46 30.78 3knl n ARG 25 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3knl s ARG 26 N -2.00 2.49 0.49 5.56 3.52 -0.14 -5.10 118.95 123.77 3knl s ARG 26 Ca 0.17 -1.42 -0.16 0.00 -0.13 0.00 0.00 55.73 54.20 3knl s ARG 26 Cb 0.08 -2.67 -0.08 0.00 -1.56 0.00 0.00 34.95 30.72 3knl s ARG 26 CO 0.13 -0.65 0.95 -1.59 -0.81 0.00 0.00 175.30 173.33 3knl s LYS 27 N -4.57 3.95 0.30 5.12 0.00 -1.26 -4.97 119.74 118.31 3knl s LYS 27 Ca 0.59 0.90 0.03 0.00 0.00 0.00 0.00 55.97 57.49 3knl s LYS 27 Cb -0.08 -2.18 0.60 0.00 0.00 0.00 0.00 37.83 36.17 3knl s LYS 27 CO 0.37 -0.21 1.85 -0.09 0.00 0.00 0.00 175.35 177.28 3knl h ARG 28 N 1.09 0.92 -0.40 1.78 2.43 -1.96 -1.96 114.38 116.27 3knl h ARG 28 Ca -0.47 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3knl h ARG 28 Cb 1.18 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3knl h ARG 28 CO 0.62 0.61 0.00 -0.25 -1.51 0.00 0.00 179.97 179.44 3knl n ASP 29 N -4.58 3.34 -2.70 -3.80 10.43 -1.26 -4.61 116.55 113.38 3knl n ASP 29 Ca 0.18 -2.19 -0.05 0.00 2.57 0.00 0.00 54.79 55.29 3knl n ASP 29 Cb 0.35 -0.34 0.05 0.00 1.84 0.00 0.00 41.12 43.02 3knl n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3knl n GLY 30 N 0.54 -2.50 3.21 0.44 0.00 -0.74 -5.00 105.19 101.14 3knl n GLY 30 Ca 0.16 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 3knl n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knl n LYS 31 N -2.11 -4.84 -3.49 1.61 4.81 -1.26 -4.97 118.16 107.90 3knl n LYS 31 Ca 0.03 -1.48 -0.10 0.00 -0.87 0.00 0.00 58.31 55.88 3knl n LYS 31 Cb 0.11 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.24 3knl n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 3knl s TYR 32 N -2.16 -0.45 0.25 5.64 -0.00 -1.26 -4.89 117.35 114.48 3knl s TYR 32 Ca 0.68 0.23 0.05 0.00 -0.00 0.00 0.00 57.07 58.03 3knl s TYR 32 Cb -0.12 0.57 0.30 0.00 -0.00 0.00 0.00 41.96 42.72 3knl s TYR 32 CO 0.56 -0.80 1.60 0.82 -0.00 0.00 0.00 175.55 177.73 3knl h ILE 33 N 2.00 1.36 0.00 -3.49 1.08 -1.25 -3.48 117.51 113.74 3knl h ILE 33 Ca -0.29 -1.84 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 3knl h ILE 33 Cb 1.28 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.93 3knl h ILE 33 CO 0.35 0.55 0.00 1.21 -0.69 0.00 0.00 178.15 179.56 3knl n GLU 34 N -3.92 0.00 -3.76 2.37 2.13 -0.67 -4.99 120.64 111.80 3knl n GLU 34 Ca -0.02 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.43 3knl n GLU 34 Cb 0.58 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.23 3knl n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3knl s LYS 35 N -2.00 3.59 -0.04 5.31 2.20 -1.26 0.29 119.74 127.83 3knl s LYS 35 Ca 0.00 0.02 0.24 0.00 -0.36 0.00 0.00 55.97 55.87 3knl s LYS 35 Cb 0.00 -3.18 0.43 0.00 -1.51 0.00 0.00 37.83 33.57 3knl s LYS 35 CO 0.00 0.74 1.17 0.44 -0.36 0.00 0.00 175.35 177.34 3knl n ILE 36 N 1.79 0.29 0.00 5.43 -5.35 -0.49 -4.95 119.36 116.08 3knl n ILE 36 Ca -0.17 -1.34 0.00 0.00 -0.27 0.00 0.00 62.75 60.97 3knl n ILE 36 Cb 0.54 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 3knl n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knl n GLY 37 N 0.28 1.32 0.53 3.28 0.00 -1.23 -3.38 105.19 105.98 3knl n GLY 37 Ca 0.08 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.00 3knl n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3knl n TYR 38 N -1.62 0.01 -3.23 1.61 0.18 -1.13 -0.92 117.16 112.06 3knl n TYR 38 Ca 0.00 -0.41 0.04 0.00 1.88 0.00 0.00 57.90 59.40 3knl n TYR 38 Cb 0.00 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.94 3knl n TYR 38 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3knl s TYR 39 N -1.82 -0.68 -0.50 -3.48 5.04 -1.19 -4.13 117.35 110.59 3knl s TYR 39 Ca 0.04 0.87 -0.12 0.00 -2.44 0.00 0.00 57.07 55.42 3knl s TYR 39 Cb 0.00 0.29 0.12 0.00 0.35 0.00 0.00 41.96 42.73 3knl s TYR 39 CO 0.03 -0.36 0.41 0.34 -1.34 0.00 0.00 175.55 174.62 3knl s ASP 40 N 2.75 5.90 0.01 4.32 3.68 -1.24 -1.96 116.67 130.12 3knl s ASP 40 Ca 0.01 -1.85 0.12 0.00 2.13 0.00 0.00 52.55 52.96 3knl s ASP 40 Cb -0.09 -2.09 0.51 0.00 -1.45 0.00 0.00 42.92 39.80 3knl s ASP 40 CO -0.14 -0.76 1.38 -0.81 0.13 0.00 0.00 175.17 174.97 3knl n PRO 41 N 5.05 0.01 0.05 4.34 -0.04 -1.26 -1.98 135.00 141.16 3knl n PRO 41 Ca -0.10 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 3knl n PRO 41 Cb 0.40 -1.51 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 3knl n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knl n ARG 42 N -1.52 0.31 -3.04 0.54 1.74 -1.26 -5.03 116.66 108.39 3knl n ARG 42 Ca 0.03 0.05 -0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3knl n ARG 42 Cb 0.14 -1.66 -0.00 0.00 -1.02 0.00 0.00 32.46 29.92 3knl n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knl n LYS 43 N -2.09 -1.35 0.00 5.56 4.01 -0.84 -4.95 118.16 118.51 3knl n LYS 43 Ca 0.03 1.42 0.00 0.00 -0.51 0.00 0.00 58.31 59.25 3knl n LYS 43 Cb 0.44 -2.14 0.00 0.00 -0.51 0.00 0.00 35.03 32.83 3knl n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3knl n THR 44 N 1.37 0.00 -4.76 -0.18 -2.24 -1.26 -5.03 114.28 102.18 3knl n THR 44 Ca -0.02 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 3knl n THR 44 Cb 0.33 0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 69.02 3knl n THR 44 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3knl s THR 45 N -0.80 3.22 0.61 4.28 -1.32 -1.26 -4.99 115.64 115.39 3knl s THR 45 Ca 0.00 -0.63 0.28 0.00 -1.21 0.00 0.00 61.69 60.13 3knl s THR 45 Cb 0.00 -2.32 0.35 0.00 -1.51 0.00 0.00 72.50 69.02 3knl s THR 45 CO 0.00 0.55 1.80 1.55 -2.21 0.00 0.00 174.62 176.32 3knl h PRO 46 N 6.05 0.00 -3.54 7.08 0.13 -2.04 -3.01 132.00 136.68 3knl h PRO 46 Ca -0.36 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.03 3knl h PRO 46 Cb 1.19 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 3knl h PRO 46 CO 0.54 0.00 -0.05 -0.51 -0.23 0.00 0.00 178.00 177.75 3knl s ASP 47 N -4.78 6.13 -0.43 1.44 1.01 -1.26 -4.89 116.67 113.89 3knl s ASP 47 Ca -0.04 -3.23 0.04 0.00 0.71 0.00 0.00 52.55 50.03 3knl s ASP 47 Cb 0.13 -2.00 0.48 0.00 1.01 0.00 0.00 42.92 42.55 3knl s ASP 47 CO 0.46 -0.34 1.60 -2.67 0.21 0.00 0.00 175.17 174.44 3knl n TRP 48 N 3.07 2.54 0.00 4.23 4.27 -1.14 -4.83 117.44 125.58 3knl n TRP 48 Ca 0.16 -2.33 0.00 0.00 -3.89 0.00 0.00 57.50 51.44 3knl n TRP 48 Cb 0.40 -0.81 0.00 0.00 -1.36 0.00 0.00 31.31 29.54 3knl n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 3knl n LEU 49 N -0.92 0.00 -4.88 5.67 7.94 -1.26 -3.68 117.00 119.88 3knl n LEU 49 Ca 0.49 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 55.08 3knl n LEU 49 Cb 0.93 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.84 3knl n LEU 49 CO 0.50 0.00 0.33 -0.75 -1.11 0.00 0.00 177.39 176.36 3knl s LYS 50 N 0.00 3.79 0.00 1.96 2.36 -1.26 -4.96 119.74 121.63 3knl s LYS 50 Ca 0.00 0.36 0.03 0.00 -2.55 0.00 0.00 55.97 53.81 3knl s LYS 50 Cb 0.00 -2.51 0.04 0.00 -1.05 0.00 0.00 37.83 34.31 3knl s LYS 50 CO 0.00 0.14 0.90 0.28 1.55 0.00 0.00 175.35 178.22 3knl n VAL 51 N -0.78 0.00 -2.47 4.02 0.31 -1.26 -2.82 118.33 115.33 3knl n VAL 51 Ca 0.01 -0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.22 3knl n VAL 51 Cb 0.53 0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.90 3knl n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3knl n ASP 52 N 0.05 -0.41 0.00 4.52 4.64 -1.22 -4.55 116.55 119.58 3knl n ASP 52 Ca -0.00 -0.08 0.00 0.00 -1.38 0.00 0.00 54.79 53.33 3knl n ASP 52 Cb 0.70 -0.13 0.00 0.00 -1.04 0.00 0.00 41.12 40.65 3knl n ASP 52 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3knl n VAL 53 N -0.61 1.00 0.01 5.18 0.31 -1.26 -2.71 118.33 120.25 3knl n VAL 53 Ca -0.03 0.30 -0.00 0.00 -0.01 0.00 0.00 64.34 64.60 3knl n VAL 53 Cb 0.06 -1.30 -0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3knl n VAL 53 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3knl h GLU 54 N 0.00 -0.03 -0.43 5.55 4.39 -1.98 -3.04 114.58 119.05 3knl h GLU 54 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3knl h GLU 54 Cb 0.09 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3knl h GLU 54 CO 0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 179.01 177.80 3knl h ARG 55 N -0.04 0.71 -0.78 2.33 2.47 -1.87 -2.25 114.38 114.95 3knl h ARG 55 Ca -0.00 -0.19 0.17 0.00 -1.26 0.00 0.00 59.98 58.70 3knl h ARG 55 Cb 0.02 -0.08 -0.14 0.00 -1.65 0.00 0.00 29.97 28.12 3knl h ARG 55 CO 0.00 0.74 -0.05 0.00 0.56 0.00 0.00 179.97 181.23 3knl h ALA 56 N 1.31 0.74 -0.30 0.04 0.00 -1.63 0.42 119.26 119.83 3knl h ALA 56 Ca 0.13 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.33 3knl h ALA 56 Cb 0.46 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3knl h ALA 56 CO 0.02 -0.43 0.11 0.00 0.00 0.00 0.00 179.25 178.95 3knl h ARG 57 N 0.06 0.24 0.67 0.00 2.47 -1.28 -3.19 114.38 113.36 3knl h ARG 57 Ca 0.42 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 59.09 3knl h ARG 57 Cb 0.72 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 3knl h ARG 57 CO -0.72 0.16 -0.49 -0.92 0.56 0.00 0.00 179.97 178.56 3knl h TYR 58 N 0.25 -1.32 0.00 3.04 5.03 -0.17 -2.61 116.97 121.19 3knl h TYR 58 Ca 0.13 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.44 3knl h TYR 58 Cb 0.09 0.49 0.00 0.00 1.55 0.00 0.00 36.73 38.86 3knl h TYR 58 CO -0.12 -0.70 0.00 0.91 -1.32 0.00 0.00 178.16 176.93 3knl n TRP 59 N -5.49 0.00 0.00 -3.82 5.03 -0.27 0.52 117.44 113.41 3knl n TRP 59 Ca -0.13 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.40 3knl n TRP 59 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.76 3knl n TRP 59 CO 0.00 0.00 0.00 1.28 -0.03 0.00 0.00 177.69 178.94 3knl n LEU 60 N -0.25 1.00 0.07 -0.99 4.77 -1.01 -3.21 117.00 117.37 3knl n LEU 60 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3knl n LEU 60 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 3knl n LEU 60 CO 0.00 0.17 0.60 0.77 -1.33 0.00 0.00 177.39 177.60 3knl h SER 61 N 0.00 0.33 1.21 -1.43 4.64 0.42 -2.42 113.55 116.30 3knl h SER 61 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3knl h SER 61 Cb 0.99 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3knl h SER 61 CO 0.00 0.73 -0.12 1.33 -0.87 0.00 0.00 176.83 177.90 3knl n VAL 62 N -4.00 0.38 0.00 0.95 0.24 -0.82 -4.97 118.33 110.11 3knl n VAL 62 Ca -0.02 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3knl n VAL 62 Cb 0.51 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 3knl n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knl n GLY 63 N 1.37 0.25 2.69 7.63 0.00 -0.91 -5.11 105.19 111.11 3knl n GLY 63 Ca 0.06 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 3knl n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl n ALA 64 N 0.00 1.22 -1.19 4.61 0.00 -1.20 -4.71 120.51 119.25 3knl n ALA 64 Ca 0.00 -1.23 -0.39 0.00 0.00 0.00 0.00 53.44 51.82 3knl n ALA 64 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 3knl n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knl n GLN 65 N -0.68 0.00 -3.18 0.00 0.00 -1.26 -3.69 117.38 108.57 3knl n GLN 65 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 57.00 56.75 3knl n GLN 65 Cb 0.84 -0.88 0.02 0.00 0.00 0.00 0.00 30.24 30.22 3knl n GLN 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3knl s PRO 66 N -0.88 2.54 0.07 2.61 0.04 -1.26 -3.78 135.00 134.34 3knl s PRO 66 Ca 0.54 -1.51 -0.01 0.00 0.04 0.00 0.00 61.00 60.06 3knl s PRO 66 Cb -0.68 -2.60 0.02 0.00 0.04 0.00 0.00 34.50 31.27 3knl s PRO 66 CO 0.53 -0.51 0.04 2.41 0.04 0.00 0.00 177.00 179.50 3knl n THR 67 N -1.95 0.00 -0.02 1.26 -1.04 -0.87 -4.73 114.28 106.93 3knl n THR 67 Ca 0.09 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.09 3knl n THR 67 Cb 0.61 -0.05 -0.00 0.00 -1.82 0.00 0.00 70.33 69.07 3knl n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3knl h ASP 68 N -1.93 0.00 0.00 8.00 3.32 -1.99 -3.13 116.42 120.69 3knl h ASP 68 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3knl h ASP 68 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3knl h ASP 68 CO 0.01 0.26 0.00 1.07 -1.72 0.00 0.00 179.24 178.86 3knl n THR 69 N -3.20 0.00 -0.06 0.35 5.66 -1.26 -1.54 114.28 114.23 3knl n THR 69 Ca -0.01 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.95 3knl n THR 69 Cb 0.05 -0.81 -0.01 0.00 -1.55 0.00 0.00 70.33 68.01 3knl n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3knl h ALA 70 N 1.61 0.00 -0.52 1.79 0.00 -1.90 -3.40 119.26 116.85 3knl h ALA 70 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3knl h ALA 70 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3knl h ALA 70 CO 0.00 0.39 0.27 0.07 0.00 0.00 0.00 179.25 179.99 3knl h ARG 71 N -0.85 0.73 0.00 0.00 0.11 -1.22 -2.59 114.38 110.56 3knl h ARG 71 Ca 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3knl h ARG 71 Cb 0.39 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.33 3knl h ARG 71 CO 0.00 0.58 0.32 -2.13 0.10 0.00 0.00 179.97 178.84 3knl n ARG 72 N -4.63 0.00 -0.06 0.08 0.63 -0.67 0.18 116.66 112.19 3knl n ARG 72 Ca 0.02 0.11 -0.12 0.00 -0.92 0.00 0.00 57.85 56.94 3knl n ARG 72 Cb 0.09 -1.82 -0.04 0.00 0.45 0.00 0.00 32.46 31.14 3knl n ARG 72 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3knl n LEU 73 N -1.06 1.05 -0.08 6.15 4.77 -0.99 -3.40 117.00 123.44 3knl n LEU 73 Ca 0.00 0.13 0.13 0.00 -0.03 0.00 0.00 56.01 56.24 3knl n LEU 73 Cb 0.32 -0.36 0.52 0.00 -2.33 0.00 0.00 43.42 41.58 3knl n LEU 73 CO 0.00 0.29 1.19 -0.07 -1.33 0.00 0.00 177.39 177.47 3knl h LEU 74 N -0.39 0.33 0.17 2.23 4.07 0.67 0.10 115.31 122.49 3knl h LEU 74 Ca -0.30 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 3knl h LEU 74 Cb 1.28 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.96 3knl h LEU 74 CO -0.17 0.19 -0.08 -0.09 -1.08 0.00 0.00 178.44 177.21 3knl h ARG 75 N 0.36 -0.21 -0.08 1.13 2.43 0.16 -0.51 114.38 117.66 3knl h ARG 75 Ca 0.28 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3knl h ARG 75 Cb 0.62 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3knl h ARG 75 CO -0.07 0.21 0.00 0.94 -1.51 0.00 0.00 179.97 179.54 3knl n GLN 76 N -4.95 0.13 0.00 0.20 7.27 0.13 0.42 117.38 120.58 3knl n GLN 76 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3knl n GLN 76 Cb 0.27 -1.04 0.00 0.00 2.41 0.00 0.00 30.24 31.88 3knl n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3knl n ALA 77 N 0.10 0.74 0.00 1.69 0.00 0.09 -4.96 120.51 118.17 3knl n ALA 77 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3knl n ALA 77 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3knl n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knl n GLY 78 N 0.29 1.36 0.50 0.00 0.00 0.17 -4.95 105.19 102.57 3knl n GLY 78 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.34 3knl n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3knl h VAL 79 N 0.00 0.45 0.00 1.61 2.07 -1.28 -0.79 116.25 118.31 3knl h VAL 79 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3knl h VAL 79 Cb 0.00 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3knl h VAL 79 CO 0.00 0.00 -1.61 0.49 0.02 0.00 0.00 177.57 176.47 3knl n PHE 80 N -4.17 0.00 -2.01 1.57 3.01 -1.26 -4.92 117.46 109.68 3knl n PHE 80 Ca 0.22 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.28 3knl n PHE 80 Cb 1.13 -0.31 -0.01 0.00 -0.01 0.00 0.00 39.48 40.28 3knl n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3knl s ARG 81 N -3.28 4.15 0.00 -1.08 3.52 -0.30 -4.95 118.95 117.00 3knl s ARG 81 Ca -0.02 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 57.87 3knl s ARG 81 Cb 0.14 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 3knl s ARG 81 CO 0.87 -0.39 0.06 0.00 -0.81 0.00 0.00 175.30 175.02 3knl n GLN 82 N 0.46 3.53 0.00 5.12 0.00 -1.26 -5.01 117.38 120.22 3knl n GLN 82 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 57.00 56.96 3knl n GLN 82 Cb 0.42 -0.41 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3knl n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3knl n GLU 83 N -0.52 0.00 0.00 2.61 -0.58 -1.26 -5.27 120.64 115.62 3knl n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knl n GLU 83 Cb 0.02 -0.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 3knl n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65