#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkn s GLU 2 N 0.00 0.95 -0.47 0.03 -6.30 -1.26 -5.07 118.70 106.58 1lkn s GLU 2 Ca 0.00 -1.78 -0.18 0.00 -2.50 0.00 0.00 54.97 50.51 1lkn s GLU 2 Cb 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 34.13 33.19 1lkn s GLU 2 CO 0.00 -1.37 0.50 0.08 0.02 0.00 0.00 175.26 174.49 1lkn s VAL 3 N 0.32 5.04 0.11 3.70 1.01 -1.25 -4.49 120.40 124.84 1lkn s VAL 3 Ca 0.32 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1lkn s VAL 3 Cb 0.03 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1lkn s VAL 3 CO -0.15 -0.61 0.01 -1.59 0.00 0.00 0.00 175.10 172.75 1lkn s LYS 4 N 2.20 2.54 -0.18 2.72 0.00 -1.26 -4.90 119.74 120.86 1lkn s LYS 4 Ca 0.11 -0.88 0.01 0.00 0.00 0.00 0.00 55.97 55.21 1lkn s LYS 4 Cb -0.20 -2.52 0.03 0.00 0.00 0.00 0.00 37.83 35.15 1lkn s LYS 4 CO 0.11 0.52 -0.12 0.42 0.00 0.00 0.00 175.35 176.29 1lkn s ILE 5 N -1.39 1.63 0.01 3.79 1.09 -1.26 -3.53 121.20 121.53 1lkn s ILE 5 Ca 0.26 -0.86 -0.18 0.00 -1.10 0.00 0.00 60.65 58.77 1lkn s ILE 5 Cb -0.11 -1.63 0.03 0.00 -1.06 0.00 0.00 42.46 39.69 1lkn s ILE 5 CO 0.19 0.29 0.39 -1.61 -0.10 0.00 0.00 174.94 174.09 1lkn s GLU 6 N 1.43 0.82 -0.31 2.79 2.02 -1.20 -5.02 118.70 119.23 1lkn s GLU 6 Ca 0.01 -0.23 -0.14 0.00 0.02 0.00 0.00 54.97 54.64 1lkn s GLU 6 Cb -0.15 0.37 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 1lkn s GLU 6 CO -0.09 -0.25 0.30 0.15 0.02 0.00 0.00 175.26 175.38 1lkn s LYS 7 N -1.82 3.78 0.68 1.61 1.02 -1.26 -1.77 119.74 121.98 1lkn s LYS 7 Ca -0.10 -0.31 -0.17 0.00 0.02 0.00 0.00 55.97 55.42 1lkn s LYS 7 Cb -0.03 -3.73 -0.06 0.00 -0.52 0.00 0.00 37.83 33.49 1lkn s LYS 7 CO 0.02 -0.35 0.41 -2.30 -0.92 0.00 0.00 175.35 172.21 1lkn n PRO 8 N 5.24 0.31 -0.33 -1.68 -0.01 -1.23 -4.82 135.00 132.47 1lkn n PRO 8 Ca -0.11 0.14 -0.01 0.00 -0.01 0.00 0.00 63.50 63.51 1lkn n PRO 8 Cb 0.50 -1.69 0.03 0.00 -0.01 0.00 0.00 33.50 32.34 1lkn n PRO 8 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1lkn n THR 9 N -2.16 -0.45 -1.32 3.45 -1.04 -1.26 -4.79 114.28 106.70 1lkn n THR 9 Ca 0.10 2.01 -0.10 0.00 -2.04 0.00 0.00 64.05 64.02 1lkn n THR 9 Cb 0.49 -2.65 0.21 0.00 -1.82 0.00 0.00 70.33 66.56 1lkn n THR 9 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1lkn n PRO 10 N -5.26 2.20 0.18 -2.82 -0.05 -1.26 -4.96 135.00 123.03 1lkn n PRO 10 Ca 0.09 -3.10 0.18 0.00 -0.05 0.00 0.00 63.50 60.61 1lkn n PRO 10 Cb 0.34 -1.97 0.81 0.00 -0.05 0.00 0.00 33.50 32.64 1lkn n PRO 10 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1lkn h GLU 11 N 1.19 0.00 -0.04 0.54 4.57 -2.00 0.97 114.58 119.81 1lkn h GLU 11 Ca 0.34 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.50 1lkn h GLU 11 Cb 2.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.67 1lkn h GLU 11 CO 0.63 0.00 -0.08 -0.22 -1.18 0.00 0.00 179.01 178.16 1lkn h LYS 12 N 0.00 0.06 0.00 1.92 3.64 -1.94 -1.16 116.57 119.09 1lkn h LYS 12 Ca 0.11 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1lkn h LYS 12 Cb 0.60 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1lkn h LYS 12 CO -0.00 0.15 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.18 1lkn h LEU 13 N 0.06 0.00 -0.45 5.20 3.38 0.67 -0.07 115.31 124.10 1lkn h LEU 13 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1lkn h LEU 13 Cb 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1lkn h LEU 13 CO 0.01 0.08 0.01 0.07 0.09 0.00 0.00 178.44 178.70 1lkn h LYS 14 N 0.00 0.11 0.00 1.13 2.10 -1.25 1.60 116.57 120.26 1lkn h LYS 14 Ca -0.00 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.52 1lkn h LYS 14 Cb 0.16 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 1lkn h LYS 14 CO 0.01 0.08 -0.58 1.05 -2.00 0.00 0.00 179.45 178.00 1lkn h GLU 15 N 0.12 0.00 -0.66 0.07 4.11 -1.59 -3.14 114.58 113.50 1lkn h GLU 15 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1lkn h GLU 15 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1lkn h GLU 15 CO -0.37 0.58 0.00 1.28 0.07 0.00 0.00 179.01 180.57 1lkn n LEU 16 N -3.26 3.01 -1.62 3.06 4.32 -0.03 -4.96 117.00 117.52 1lkn n LEU 16 Ca 0.02 -1.52 -0.09 0.00 -0.02 0.00 0.00 56.01 54.39 1lkn n LEU 16 Cb 0.76 -0.49 -0.08 0.00 -1.62 0.00 0.00 43.42 41.99 1lkn n LEU 16 CO 0.41 0.47 0.76 -1.20 -1.22 0.00 0.00 177.39 176.61 1lkn n SER 17 N 0.42 -0.44 0.26 -1.43 7.64 0.53 -4.71 113.62 115.89 1lkn n SER 17 Ca 0.14 -0.16 0.15 0.00 1.01 0.00 0.00 58.87 60.01 1lkn n SER 17 Cb 0.61 -0.21 0.67 0.00 -1.01 0.00 0.00 64.21 64.27 1lkn n SER 17 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1lkn h VAL 18 N 2.57 0.25 -1.10 0.44 -1.51 -1.93 -2.99 116.25 111.98 1lkn h VAL 18 Ca 0.01 -0.65 0.30 0.00 -1.23 0.00 0.00 66.70 65.13 1lkn h VAL 18 Cb 0.42 1.52 -0.10 0.00 -2.13 0.00 0.00 31.29 30.99 1lkn h VAL 18 CO 0.57 0.08 0.71 1.05 -1.23 0.00 0.00 177.57 178.76 1lkn h GLU 19 N 0.00 0.30 0.00 5.19 4.11 -1.93 1.22 114.58 123.47 1lkn h GLU 19 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1lkn h GLU 19 Cb 0.51 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1lkn h GLU 19 CO 0.01 0.20 -0.01 0.87 0.07 0.00 0.00 179.01 180.15 1lkn h LYS 20 N 0.31 0.00 -6.78 1.06 1.57 -1.90 -3.45 116.57 107.38 1lkn h LYS 20 Ca 0.63 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.92 1lkn h LYS 20 Cb 1.75 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 1lkn h LYS 20 CO -0.30 0.01 0.12 -1.58 -0.57 0.00 0.00 179.45 177.13 1lkn s TRP 21 N -3.37 3.40 0.89 -1.35 0.51 0.42 -5.05 118.94 114.39 1lkn s TRP 21 Ca 0.05 1.19 -0.12 0.00 -2.12 0.00 0.00 56.10 55.10 1lkn s TRP 21 Cb 0.06 -2.53 0.09 0.00 -0.81 0.00 0.00 33.47 30.29 1lkn s TRP 21 CO 0.63 0.02 0.93 -0.35 -0.51 0.00 0.00 176.95 177.67 1lkn n PRO 22 N -0.64 -0.22 -4.41 4.98 -0.04 -1.26 -4.75 135.00 128.65 1lkn n PRO 22 Ca 0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 1lkn n PRO 22 Cb 0.53 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.66 1lkn n PRO 22 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1lkn s ILE 23 N -2.40 3.06 0.09 0.52 -1.09 -1.26 -3.14 121.20 116.98 1lkn s ILE 23 Ca 0.66 -1.25 0.08 0.00 -2.23 0.00 0.00 60.65 57.90 1lkn s ILE 23 Cb -0.25 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1lkn s ILE 23 CO 0.59 0.21 -0.20 0.86 -1.23 0.00 0.00 174.94 175.17 1lkn s TRP 24 N -1.08 1.69 -0.06 3.97 -0.00 -0.73 -5.00 118.94 117.74 1lkn s TRP 24 Ca 0.18 -0.42 0.02 0.00 -0.00 0.00 0.00 56.10 55.88 1lkn s TRP 24 Cb -0.11 -0.94 0.02 0.00 -0.00 0.00 0.00 33.47 32.44 1lkn s TRP 24 CO 0.09 0.17 -0.10 -1.21 -0.00 0.00 0.00 176.95 175.90 1lkn s GLU 25 N -1.79 1.45 0.01 5.86 8.01 -1.26 -2.94 118.70 128.04 1lkn s GLU 25 Ca 0.05 -0.31 0.01 0.00 0.01 0.00 0.00 54.97 54.72 1lkn s GLU 25 Cb -0.10 -1.27 -0.01 0.00 -4.31 0.00 0.00 34.13 28.44 1lkn s GLU 25 CO 0.04 -0.03 -0.03 0.21 0.01 0.00 0.00 175.26 175.45 1lkn s LYS 26 N 0.83 0.25 0.42 1.61 2.47 -0.13 -4.99 119.74 120.20 1lkn s LYS 26 Ca -0.12 -0.30 -0.04 0.00 -1.56 0.00 0.00 55.97 53.96 1lkn s LYS 26 Cb -0.15 -0.12 -0.04 0.00 -1.46 0.00 0.00 37.83 36.06 1lkn s LYS 26 CO 0.02 0.02 0.69 -1.83 0.16 0.00 0.00 175.35 174.41 1lkn s GLU 27 N -0.60 3.54 0.00 4.03 -1.05 -1.26 -0.52 118.70 122.84 1lkn s GLU 27 Ca -0.05 0.02 -0.01 0.00 -0.15 0.00 0.00 54.97 54.79 1lkn s GLU 27 Cb -0.04 -2.49 -0.03 0.00 -0.44 0.00 0.00 34.13 31.13 1lkn s GLU 27 CO -0.00 -0.05 0.76 1.33 0.95 0.00 0.00 175.26 178.25 1lkn n VAL 28 N -1.96 0.43 -1.53 1.83 0.24 -1.26 -4.63 118.33 111.46 1lkn n VAL 28 Ca -0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1lkn n VAL 28 Cb 0.55 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 1lkn n VAL 28 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1lkn n SER 29 N 2.54 0.00 -3.70 -1.34 3.41 -1.22 -4.57 113.62 108.75 1lkn n SER 29 Ca 0.04 -0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 1lkn n SER 29 Cb 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 1lkn n SER 29 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1lkn s GLU 30 N 1.30 0.18 0.08 4.33 8.01 -1.26 0.14 118.70 131.49 1lkn s GLU 30 Ca 0.00 0.64 0.07 0.00 0.01 0.00 0.00 54.97 55.69 1lkn s GLU 30 Cb 0.00 -0.08 -0.03 0.00 -4.31 0.00 0.00 34.13 29.71 1lkn s GLU 30 CO 0.00 -0.22 -0.20 -0.59 0.01 0.00 0.00 175.26 174.26 1lkn s PHE 31 N 1.81 1.69 -0.63 1.61 -0.71 0.20 -4.95 117.98 117.00 1lkn s PHE 31 Ca -0.04 -0.41 -0.10 0.00 -1.04 0.00 0.00 56.93 55.33 1lkn s PHE 31 Cb -0.11 -0.94 0.16 0.00 -1.21 0.00 0.00 43.02 40.92 1lkn s PHE 31 CO -0.09 0.16 0.53 0.16 -1.34 0.00 0.00 175.22 174.64 1lkn s ASP 32 N -1.71 6.03 0.16 1.98 -4.77 -1.26 0.13 116.67 117.24 1lkn s ASP 32 Ca 0.05 -2.35 0.09 0.00 -3.30 0.00 0.00 52.55 47.05 1lkn s ASP 32 Cb -0.10 -2.07 -0.04 0.00 -1.09 0.00 0.00 42.92 39.62 1lkn s ASP 32 CO 0.03 -0.61 -0.14 0.86 0.70 0.00 0.00 175.17 176.01 1lkn s TRP 33 N 0.71 2.56 -0.02 2.11 -0.00 -1.17 -5.01 118.94 118.12 1lkn s TRP 33 Ca 0.12 -0.25 0.04 0.00 -0.00 0.00 0.00 56.10 56.01 1lkn s TRP 33 Cb -0.20 -1.29 -0.03 0.00 -0.00 0.00 0.00 33.47 31.95 1lkn s TRP 33 CO -0.03 0.47 -0.13 -0.47 -0.00 0.00 0.00 176.95 176.79 1lkn s TYR 34 N -1.51 2.73 1.16 5.86 5.04 -1.26 -2.66 117.35 126.72 1lkn s TYR 34 Ca 0.22 -0.13 -0.19 0.00 -2.44 0.00 0.00 57.07 54.52 1lkn s TYR 34 Cb -0.09 -1.60 0.28 0.00 0.35 0.00 0.00 41.96 40.90 1lkn s TYR 34 CO 0.13 0.26 1.19 0.71 -1.34 0.00 0.00 175.55 176.50 1lkn s TYR 35 N -0.84 0.53 -0.02 4.97 1.51 -0.30 -4.98 117.35 118.22 1lkn s TYR 35 Ca 0.14 0.34 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 1lkn s TYR 35 Cb -0.11 -3.74 0.02 0.00 -0.11 0.00 0.00 41.96 38.03 1lkn s TYR 35 CO 0.03 -3.67 0.36 -3.47 -1.11 0.00 0.00 175.55 167.69 1lkn n ASP 36 N -4.54 -0.23 0.00 2.29 2.03 -1.26 -4.37 116.55 110.47 1lkn n ASP 36 Ca 0.15 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1lkn n ASP 36 Cb 0.60 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 1lkn n ASP 36 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1lkn n THR 37 N -0.10 0.00 -2.36 5.18 5.66 -1.26 -4.94 114.28 116.46 1lkn n THR 37 Ca -0.05 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.53 1lkn n THR 37 Cb 0.41 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.17 1lkn n THR 37 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1lkn s ASN 38 N 0.00 6.25 0.04 1.09 0.02 -1.26 -4.00 114.94 117.08 1lkn s ASN 38 Ca 0.00 0.61 0.04 0.00 -1.02 0.00 0.00 52.86 52.50 1lkn s ASN 38 Cb 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 1lkn s ASN 38 CO 0.00 -1.55 -0.06 -0.70 0.02 0.00 0.00 177.10 174.81 1lkn s GLU 39 N 5.17 2.44 -0.09 -0.60 2.12 -1.17 -1.38 118.70 125.20 1lkn s GLU 39 Ca 0.58 -0.82 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 1lkn s GLU 39 Cb -0.12 -2.46 0.04 0.00 0.26 0.00 0.00 34.13 31.85 1lkn s GLU 39 CO 0.30 0.57 0.06 0.99 -0.54 0.00 0.00 175.26 176.64 1lkn s THR 40 N -1.11 -0.03 0.19 -1.70 2.01 -1.03 -2.45 115.64 111.53 1lkn s THR 40 Ca 0.20 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.43 1lkn s THR 40 Cb -0.11 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1lkn s THR 40 CO 0.11 0.02 -0.15 0.00 -0.69 0.00 0.00 174.62 173.91 1lkn s TYR 42 N -2.77 1.63 0.34 0.00 5.04 -0.59 -3.28 117.35 117.73 1lkn s TYR 42 Ca 0.20 -0.76 -0.25 0.00 -2.44 0.00 0.00 57.07 53.81 1lkn s TYR 42 Cb -0.02 -1.26 -0.10 0.00 0.35 0.00 0.00 41.96 40.94 1lkn s TYR 42 CO 0.06 -0.46 0.95 0.42 -1.34 0.00 0.00 175.55 175.19 1lkn s ILE 43 N 1.25 4.21 -0.01 3.14 1.01 0.56 0.15 121.20 131.52 1lkn s ILE 43 Ca -0.03 1.75 0.04 0.00 0.00 0.00 0.00 60.65 62.41 1lkn s ILE 43 Cb -0.14 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1lkn s ILE 43 CO -0.04 0.06 0.08 -0.11 0.00 0.00 0.00 174.94 174.94 1lkn n LEU 44 N 0.35 0.00 0.00 2.97 7.94 0.47 -1.81 117.00 126.91 1lkn n LEU 44 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1lkn n LEU 44 Cb 0.51 0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1lkn n LEU 44 CO 0.43 0.01 0.00 -1.84 -1.11 0.00 0.00 177.39 174.88 1lkn n GLU 45 N -1.68 0.00 0.00 1.96 0.28 -1.14 -4.66 120.64 115.40 1lkn n GLU 45 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1lkn n GLU 45 Cb 0.15 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.02 1lkn n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1lkn n GLY 46 N 0.00 2.27 2.81 -1.84 0.00 -1.23 -1.68 105.19 105.52 1lkn n GLY 46 Ca 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1lkn n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lkn s LYS 47 N -2.00 0.50 -0.04 1.61 2.20 -1.23 -1.70 119.74 119.09 1lkn s LYS 47 Ca 0.00 0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.69 1lkn s LYS 47 Cb 0.00 -0.73 0.02 0.00 -1.51 0.00 0.00 37.83 35.61 1lkn s LYS 47 CO 0.00 -0.19 -0.06 0.08 -0.36 0.00 0.00 175.35 174.82 1lkn s VAL 48 N 1.39 0.61 -0.32 4.02 1.01 -0.95 -1.11 120.40 125.05 1lkn s VAL 48 Ca -0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1lkn s VAL 48 Cb -0.13 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1lkn s VAL 48 CO -0.02 0.23 0.08 -1.61 0.00 0.00 0.00 175.10 173.78 1lkn s GLU 49 N 0.71 2.74 -0.15 2.72 2.02 -0.95 -2.45 118.70 123.34 1lkn s GLU 49 Ca -0.10 -1.09 -0.07 0.00 0.02 0.00 0.00 54.97 53.73 1lkn s GLU 49 Cb -0.13 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1lkn s GLU 49 CO 0.01 -0.59 0.10 0.08 0.02 0.00 0.00 175.26 174.88 1lkn s VAL 50 N 1.41 5.18 -0.18 2.63 1.01 0.68 -3.87 120.40 127.27 1lkn s VAL 50 Ca -0.01 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1lkn s VAL 50 Cb -0.19 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1lkn s VAL 50 CO 0.02 0.54 -0.07 -0.89 0.00 0.00 0.00 175.10 174.70 1lkn s THR 51 N -0.38 1.31 0.27 3.92 2.01 -1.22 -0.25 115.64 121.29 1lkn s THR 51 Ca 0.11 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 1lkn s THR 51 Cb -0.12 -1.44 -0.08 0.00 0.01 0.00 0.00 72.50 70.87 1lkn s THR 51 CO 0.01 0.15 0.68 0.42 -0.69 0.00 0.00 174.62 175.19 1lkn s THR 52 N 1.55 4.73 0.30 -0.82 -4.23 -0.60 -2.66 115.64 113.91 1lkn s THR 52 Ca 0.00 0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1lkn s THR 52 Cb -0.16 -3.66 0.27 0.00 1.34 0.00 0.00 72.50 70.29 1lkn s THR 52 CO -0.08 -0.06 1.94 1.05 -0.54 0.00 0.00 174.62 176.93 1lkn h GLU 53 N 2.62 1.06 -0.77 3.99 4.11 -1.88 -0.88 114.58 122.82 1lkn h GLU 53 Ca -0.48 -0.06 0.21 0.00 0.07 0.00 0.00 59.36 59.10 1lkn h GLU 53 Cb 1.18 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1lkn h GLU 53 CO 0.66 0.70 0.54 0.22 0.07 0.00 0.00 179.01 181.20 1lkn h ASP 54 N 1.09 0.09 0.00 3.06 3.58 -1.94 -3.44 116.42 118.86 1lkn h ASP 54 Ca 0.34 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1lkn h ASP 54 Cb 0.01 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1lkn h ASP 54 CO -0.10 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 176.91 1lkn n GLY 55 N -1.65 1.94 4.03 -0.78 0.00 -0.34 -5.14 105.19 103.26 1lkn n GLY 55 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1lkn n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lkn s LYS 56 N -0.00 2.32 -0.23 1.61 1.02 -1.21 -4.92 119.74 118.33 1lkn s LYS 56 Ca 0.00 -1.61 -0.14 0.00 0.02 0.00 0.00 55.97 54.24 1lkn s LYS 56 Cb 0.00 -2.65 0.07 0.00 -0.52 0.00 0.00 37.83 34.73 1lkn s LYS 56 CO 0.00 -0.84 0.56 0.21 -0.92 0.00 0.00 175.35 174.36 1lkn s LYS 57 N -4.66 0.58 -0.14 1.68 2.20 -1.26 -1.55 119.74 116.59 1lkn s LYS 57 Ca 0.62 0.99 0.01 0.00 -0.36 0.00 0.00 55.97 57.22 1lkn s LYS 57 Cb -0.06 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1lkn s LYS 57 CO 0.39 -0.14 -0.15 0.71 -0.36 0.00 0.00 175.35 175.80 1lkn s TYR 58 N 1.31 2.17 -0.26 4.03 2.02 0.65 -4.97 117.35 122.31 1lkn s TYR 58 Ca -0.08 -1.18 -0.04 0.00 -0.37 0.00 0.00 57.07 55.40 1lkn s TYR 58 Cb -0.06 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1lkn s TYR 58 CO -0.14 -0.63 -0.01 0.14 -1.57 0.00 0.00 175.55 173.34 1lkn s VAL 59 N 1.35 3.33 -0.08 0.71 -7.23 -1.26 -0.23 120.40 116.99 1lkn s VAL 59 Ca 0.02 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.39 1lkn s VAL 59 Cb -0.13 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.15 1lkn s VAL 59 CO -0.09 0.20 -0.12 0.27 -0.31 0.00 0.00 175.10 175.05 1lkn s ILE 60 N 1.41 1.17 0.02 -0.62 -4.36 -1.03 -4.95 121.20 112.84 1lkn s ILE 60 Ca 0.02 -0.46 0.01 0.00 -0.26 0.00 0.00 60.65 59.95 1lkn s ILE 60 Cb -0.16 -1.09 -0.01 0.00 1.25 0.00 0.00 42.46 42.44 1lkn s ILE 60 CO -0.02 0.37 -0.04 -0.70 0.24 0.00 0.00 174.94 174.80 1lkn s GLU 61 N 0.95 0.30 0.00 0.37 2.12 -1.26 -2.23 118.70 118.95 1lkn s GLU 61 Ca -0.09 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1lkn s GLU 61 Cb -0.15 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.19 1lkn s GLU 61 CO 0.00 -0.00 0.00 1.17 -0.54 0.00 0.00 175.26 175.89 1lkn n LYS 62 N 2.05 0.00 -2.43 4.30 3.00 -0.69 -3.22 118.16 121.16 1lkn n LYS 62 Ca -0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.06 1lkn n LYS 62 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.60 1lkn n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1lkn n GLY 63 N 0.79 0.38 3.34 3.14 0.00 -0.75 -4.97 105.19 107.13 1lkn n GLY 63 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 1lkn n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lkn s ASP 64 N -2.93 3.00 -0.01 1.61 -1.08 -1.20 -3.58 116.67 112.49 1lkn s ASP 64 Ca 0.07 -0.68 0.01 0.00 -0.52 0.00 0.00 52.55 51.43 1lkn s ASP 64 Cb -0.03 -0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.22 1lkn s ASP 64 CO 0.09 0.16 -0.02 -1.48 0.52 0.00 0.00 175.17 174.44 1lkn s LEU 65 N -1.78 1.80 0.09 -1.34 2.34 -0.73 -0.32 118.68 118.75 1lkn s LEU 65 Ca 0.11 -0.04 0.05 0.00 0.06 0.00 0.00 54.13 54.31 1lkn s LEU 65 Cb -0.10 -0.15 -0.03 0.00 -0.56 0.00 0.00 46.19 45.35 1lkn s LEU 65 CO 0.04 -0.00 -0.13 -0.69 -1.06 0.00 0.00 176.35 174.51 1lkn s VAL 66 N 0.20 1.11 -0.02 1.48 1.01 -1.21 -3.22 120.40 119.74 1lkn s VAL 66 Ca -0.02 -1.45 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 1lkn s VAL 66 Cb -0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1lkn s VAL 66 CO -0.01 -0.33 0.16 -0.89 0.00 0.00 0.00 175.10 174.03 1lkn s THR 67 N -1.68 5.32 -0.00 3.92 2.01 -1.23 -3.71 115.64 120.26 1lkn s THR 67 Ca 0.01 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.86 1lkn s THR 67 Cb -0.08 -3.45 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 1lkn s THR 67 CO 0.02 0.37 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.94 1lkn s PHE 68 N -1.26 0.20 0.18 4.92 0.40 -1.03 -3.92 117.98 117.47 1lkn s PHE 68 Ca 0.25 -0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.43 1lkn s PHE 68 Cb -0.12 -0.14 -0.07 0.00 0.51 0.00 0.00 43.02 43.20 1lkn s PHE 68 CO 0.16 -0.01 0.54 -1.25 0.70 0.00 0.00 175.22 175.36 1lkn s PRO 69 N 0.00 3.88 -0.45 0.24 0.04 -1.26 -3.02 135.00 134.42 1lkn s PRO 69 Ca 0.00 0.36 -0.27 0.00 0.04 0.00 0.00 61.00 61.14 1lkn s PRO 69 Cb -0.01 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 1lkn s PRO 69 CO -0.00 0.40 2.22 0.21 0.04 0.00 0.00 177.00 179.87 1lkn s LYS 70 N -2.39 2.47 0.00 4.56 2.20 -1.26 -1.50 119.74 123.83 1lkn s LYS 70 Ca 0.42 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 1lkn s LYS 70 Cb -0.13 -4.48 0.00 0.00 -1.51 0.00 0.00 37.83 31.71 1lkn s LYS 70 CO 0.20 -2.86 0.00 0.41 -0.36 0.00 0.00 175.35 172.74 1lkn n GLY 71 N 5.86 0.89 3.59 5.54 0.00 -1.26 -4.82 105.19 114.99 1lkn n GLY 71 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 1lkn n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lkn s LEU 72 N 0.00 3.43 -0.33 0.99 2.96 -0.56 -4.56 118.68 120.60 1lkn s LEU 72 Ca 0.00 1.65 -0.12 0.00 -0.22 0.00 0.00 54.13 55.44 1lkn s LEU 72 Cb 0.00 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 1lkn s LEU 72 CO 0.00 -2.17 0.21 -0.60 -1.32 0.00 0.00 176.35 172.47 1lkn s ARG 73 N 6.76 3.43 0.11 1.98 3.00 -1.26 -1.15 118.95 131.81 1lkn s ARG 73 Ca 0.98 -0.68 -0.14 0.00 -1.00 0.00 0.00 55.73 54.90 1lkn s ARG 73 Cb -0.28 -3.72 0.02 0.00 0.00 0.00 0.00 34.95 30.97 1lkn s ARG 73 CO 0.33 -0.44 0.33 0.00 0.00 0.00 0.00 175.30 175.52 1lkn s ARG 75 N -3.79 4.19 0.03 0.00 6.06 -1.09 -3.04 118.95 121.30 1lkn s ARG 75 Ca 0.03 0.75 0.05 0.00 -2.50 0.00 0.00 55.73 54.07 1lkn s ARG 75 Cb 0.03 -2.99 -0.03 0.00 0.06 0.00 0.00 34.95 32.01 1lkn s ARG 75 CO -0.11 0.48 -0.11 -1.58 -2.50 0.00 0.00 175.30 171.48 1lkn s TRP 76 N -1.40 2.77 -0.19 5.12 0.52 0.35 -3.41 118.94 122.71 1lkn s TRP 76 Ca 0.38 -0.12 -0.05 0.00 0.02 0.00 0.00 56.10 56.33 1lkn s TRP 76 Cb -0.17 -1.54 0.09 0.00 -1.15 0.00 0.00 33.47 30.70 1lkn s TRP 76 CO 0.20 0.34 0.35 0.15 0.02 0.00 0.00 176.95 178.01 1lkn s LYS 77 N -1.52 0.26 -0.27 4.98 1.02 -1.25 -0.63 119.74 122.34 1lkn s LYS 77 Ca 0.17 0.78 -0.10 0.00 0.02 0.00 0.00 55.97 56.84 1lkn s LYS 77 Cb -0.11 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.09 1lkn s LYS 77 CO 0.08 -0.37 0.15 0.08 -0.92 0.00 0.00 175.35 174.36 1lkn s VAL 78 N 2.52 5.03 -0.00 3.17 1.01 0.12 -2.23 120.40 130.01 1lkn s VAL 78 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1lkn s VAL 78 Cb -0.13 -3.38 -0.27 0.00 0.00 0.00 0.00 36.38 32.61 1lkn s VAL 78 CO -0.12 0.29 0.84 -0.07 0.00 0.00 0.00 175.10 176.03 1lkn h LEU 79 N 8.21 0.32 -7.99 3.92 4.07 -1.38 -3.23 115.31 119.22 1lkn h LEU 79 Ca -0.36 -0.46 -0.24 0.00 0.08 0.00 0.00 57.88 56.89 1lkn h LEU 79 Cb 1.18 -0.10 -0.23 0.00 1.08 0.00 0.00 40.66 42.59 1lkn h LEU 79 CO 0.57 1.39 -0.72 -1.83 -1.08 0.00 0.00 178.44 176.77 1lkn s GLU 80 N -2.62 0.35 -0.32 1.13 -1.05 -1.25 -4.78 118.70 110.17 1lkn s GLU 80 Ca -0.09 -0.49 -0.34 0.00 -0.15 0.00 0.00 54.97 53.91 1lkn s GLU 80 Cb 0.07 -0.14 -0.15 0.00 -0.44 0.00 0.00 34.13 33.48 1lkn s GLU 80 CO 0.84 0.02 1.13 -2.30 0.95 0.00 0.00 175.26 175.90 1lkn n PRO 81 N 2.03 0.00 -4.11 -4.83 -0.02 -1.26 -3.50 135.00 123.31 1lkn n PRO 81 Ca -0.20 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.93 1lkn n PRO 81 Cb 0.56 -1.11 -0.09 0.00 -0.02 0.00 0.00 33.50 32.85 1lkn n PRO 81 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lkn s VAL 82 N 1.92 4.79 -0.14 -1.45 0.11 0.33 -3.55 120.40 122.41 1lkn s VAL 82 Ca 0.76 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.73 1lkn s VAL 82 Cb -1.08 -3.09 0.05 0.00 -1.53 0.00 0.00 36.38 30.72 1lkn s VAL 82 CO 0.58 0.55 0.04 -0.60 -3.33 0.00 0.00 175.10 172.34 1lkn s ARG 83 N -0.41 0.43 0.08 1.54 3.52 -0.68 -0.96 118.95 122.48 1lkn s ARG 83 Ca 0.09 -0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 1lkn s ARG 83 Cb -0.12 -1.60 -0.04 0.00 -1.56 0.00 0.00 34.95 31.64 1lkn s ARG 83 CO 0.02 -0.53 -0.06 -1.59 -0.81 0.00 0.00 175.30 172.32 1lkn s LYS 84 N 1.99 0.74 0.33 5.12 -2.85 -1.15 0.18 119.74 124.09 1lkn s LYS 84 Ca 0.02 -1.19 0.05 0.00 -1.00 0.00 0.00 55.97 53.84 1lkn s LYS 84 Cb -0.15 -0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.43 1lkn s LYS 84 CO -0.07 -0.02 0.48 -1.01 0.10 0.00 0.00 175.35 174.84 1lkn s HIS 85 N -3.16 3.25 0.19 1.78 3.76 0.39 -1.76 115.29 119.74 1lkn s HIS 85 Ca 0.06 -0.04 0.11 0.00 -0.15 0.00 0.00 55.06 55.04 1lkn s HIS 85 Cb 0.02 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1lkn s HIS 85 CO -0.04 0.05 -0.22 0.71 -0.85 0.00 0.00 174.74 174.39 1lkn s TYR 86 N -2.21 2.35 -0.45 1.40 2.02 -1.19 -1.54 117.35 117.74 1lkn s TYR 86 Ca 0.42 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.85 1lkn s TYR 86 Cb -0.09 -1.16 0.32 0.00 -0.40 0.00 0.00 41.96 40.63 1lkn s TYR 86 CO 0.32 0.51 1.09 -1.71 -1.57 0.00 0.00 175.55 174.19 1lkn n ASN 87 N 0.20 -2.03 -4.84 2.29 5.15 0.41 -4.62 115.26 111.83 1lkn n ASN 87 Ca -0.12 -3.62 -0.34 0.00 -0.60 0.00 0.00 54.58 49.90 1lkn n ASN 87 Cb 0.56 1.67 -0.06 0.00 -0.53 0.00 0.00 39.78 41.42 1lkn n ASN 87 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1lkn s LEU 88 N -2.30 4.18 0.00 1.20 1.02 -1.26 -2.45 118.68 119.06 1lkn s LEU 88 Ca 0.24 1.31 0.21 0.00 0.02 0.00 0.00 54.13 55.90 1lkn s LEU 88 Cb 0.30 -3.85 0.17 0.00 0.02 0.00 0.00 46.19 42.82 1lkn s LEU 88 CO -0.05 -0.10 1.16 0.49 0.02 0.00 0.00 176.35 177.87