#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkn n GLU 2 N 0.00 1.27 -3.57 0.03 1.02 -1.26 -5.06 120.64 113.06 1lkn n GLU 2 Ca 0.00 -3.54 -0.37 0.00 -0.02 0.00 0.00 57.16 53.24 1lkn n GLU 2 Cb 0.00 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 29.62 1lkn n GLU 2 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1lkn s VAL 3 N -2.77 5.31 0.06 2.62 1.01 -1.24 -4.13 120.40 121.25 1lkn s VAL 3 Ca 0.40 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1lkn s VAL 3 Cb 0.36 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1lkn s VAL 3 CO -0.07 0.35 -0.09 -1.59 0.00 0.00 0.00 175.10 173.69 1lkn s LYS 4 N 0.85 0.63 -0.20 2.72 0.00 -1.26 -4.93 119.74 117.56 1lkn s LYS 4 Ca 0.13 -0.88 -0.01 0.00 0.00 0.00 0.00 55.97 55.21 1lkn s LYS 4 Cb -0.13 -0.40 0.01 0.00 0.00 0.00 0.00 37.83 37.31 1lkn s LYS 4 CO 0.04 0.07 -0.13 0.42 0.00 0.00 0.00 175.35 175.75 1lkn s ILE 5 N -1.64 2.57 -0.00 3.79 -1.09 -1.26 -3.87 121.20 119.69 1lkn s ILE 5 Ca -0.05 -0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 57.38 1lkn s ILE 5 Cb -0.08 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.69 1lkn s ILE 5 CO 0.00 0.46 0.38 -1.61 -1.23 0.00 0.00 174.94 172.95 1lkn s GLU 6 N 1.35 0.78 -0.46 2.79 0.41 -1.17 -5.00 118.70 117.40 1lkn s GLU 6 Ca 0.05 -0.20 -0.06 0.00 -0.41 0.00 0.00 54.97 54.35 1lkn s GLU 6 Cb -0.14 0.35 0.12 0.00 -1.78 0.00 0.00 34.13 32.68 1lkn s GLU 6 CO -0.09 -0.24 0.30 0.15 -0.49 0.00 0.00 175.26 174.89 1lkn s LYS 7 N -1.65 2.29 0.24 1.61 1.02 -1.26 -0.76 119.74 121.23 1lkn s LYS 7 Ca -0.11 -1.87 -0.31 0.00 0.02 0.00 0.00 55.97 53.70 1lkn s LYS 7 Cb -0.03 -3.76 -0.14 0.00 -0.52 0.00 0.00 37.83 33.38 1lkn s LYS 7 CO 0.03 -1.14 1.36 -0.35 -0.92 0.00 0.00 175.35 174.33 1lkn n PRO 8 N 4.63 1.91 -3.22 -1.68 -0.04 -1.22 -4.97 135.00 130.40 1lkn n PRO 8 Ca -0.04 0.68 -0.33 0.00 -0.04 0.00 0.00 63.50 63.77 1lkn n PRO 8 Cb 0.41 -2.30 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 1lkn n PRO 8 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1lkn s THR 9 N -0.16 4.74 0.56 0.52 2.01 -1.26 -4.88 115.64 117.17 1lkn s THR 9 Ca 0.68 0.86 0.46 0.00 0.31 0.00 0.00 61.69 63.99 1lkn s THR 9 Cb -0.67 -3.65 0.68 0.00 0.01 0.00 0.00 72.50 68.87 1lkn s THR 9 CO 0.51 -0.08 1.57 1.55 -0.69 0.00 0.00 174.62 177.48 1lkn h PRO 10 N 2.54 0.00 -0.54 4.92 0.13 -1.98 1.12 132.00 138.19 1lkn h PRO 10 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1lkn h PRO 10 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1lkn h PRO 10 CO 0.66 0.00 0.11 1.49 -0.23 0.00 0.00 178.00 180.03 1lkn h GLU 11 N 0.00 0.87 0.00 0.86 4.22 -2.02 -2.74 114.58 115.78 1lkn h GLU 11 Ca 0.84 -0.22 -0.16 0.00 0.08 0.00 0.00 59.36 59.90 1lkn h GLU 11 Cb 3.48 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 32.60 1lkn h GLU 11 CO -0.01 0.84 -0.74 0.87 -2.18 0.00 0.00 179.01 177.79 1lkn h LYS 12 N 0.77 0.00 0.00 1.92 1.79 0.90 -3.16 116.57 118.78 1lkn h LYS 12 Ca 0.17 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1lkn h LYS 12 Cb 0.37 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1lkn h LYS 12 CO 0.01 0.74 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.90 1lkn h LEU 13 N 0.00 0.00 0.02 2.94 3.38 -1.06 0.44 115.31 121.03 1lkn h LEU 13 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lkn h LEU 13 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1lkn h LEU 13 CO 0.10 0.15 -0.03 0.11 0.09 0.00 0.00 178.44 178.86 1lkn h LYS 14 N 0.00 -0.05 0.13 1.13 1.79 -1.45 1.32 116.57 119.43 1lkn h LYS 14 Ca -0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.19 1lkn h LYS 14 Cb 0.27 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1lkn h LYS 14 CO 0.02 -0.04 -1.31 0.93 -1.08 0.00 0.00 179.45 177.97 1lkn h GLU 15 N -0.06 0.27 -0.65 3.15 5.08 -1.67 -3.26 114.58 117.44 1lkn h GLU 15 Ca 0.01 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1lkn h GLU 15 Cb 0.06 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1lkn h GLU 15 CO -0.02 1.19 0.00 1.28 -1.00 0.00 0.00 179.01 180.47 1lkn n LEU 16 N -3.51 3.11 -1.62 1.33 4.77 0.15 -4.96 117.00 116.27 1lkn n LEU 16 Ca -0.10 -1.57 -0.07 0.00 -0.03 0.00 0.00 56.01 54.24 1lkn n LEU 16 Cb 1.03 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1lkn n LEU 16 CO 0.53 0.48 0.70 -1.20 -1.33 0.00 0.00 177.39 176.58 1lkn n SER 17 N 0.46 -0.57 0.27 -1.43 7.64 0.45 -4.69 113.62 115.74 1lkn n SER 17 Ca 0.15 -0.25 0.16 0.00 1.01 0.00 0.00 58.87 59.94 1lkn n SER 17 Cb 0.62 -0.20 0.61 0.00 -1.01 0.00 0.00 64.21 64.23 1lkn n SER 17 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1lkn h VAL 18 N 2.56 0.00 -0.96 0.44 2.07 -1.93 -3.12 116.25 115.31 1lkn h VAL 18 Ca 0.01 -0.58 0.24 0.00 0.82 0.00 0.00 66.70 67.19 1lkn h VAL 18 Cb 0.41 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 1lkn h VAL 18 CO 0.56 0.00 0.65 1.05 0.02 0.00 0.00 177.57 179.85 1lkn h GLU 19 N 0.00 0.29 -0.02 1.57 4.11 -1.91 0.59 114.58 119.20 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 0.58 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1lkn h GLU 19 CO 0.00 0.19 0.00 0.36 0.07 0.00 0.00 179.01 179.63 1lkn n LYS 20 N -4.47 1.51 -2.82 1.06 2.85 -1.18 -4.90 118.16 110.21 1lkn n LYS 20 Ca 0.21 -0.75 -0.25 0.00 -1.05 0.00 0.00 58.31 56.48 1lkn n LYS 20 Cb 0.84 -1.47 0.01 0.00 -0.65 0.00 0.00 35.03 33.76 1lkn n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1lkn s TRP 21 N -1.98 3.30 1.18 5.58 0.52 0.20 -5.07 118.94 122.67 1lkn s TRP 21 Ca 0.39 0.42 -0.16 0.00 0.02 0.00 0.00 56.10 56.78 1lkn s TRP 21 Cb 0.21 -2.39 0.23 0.00 -1.15 0.00 0.00 33.47 30.37 1lkn s TRP 21 CO 0.33 -0.43 0.58 -2.30 0.02 0.00 0.00 176.95 175.16 1lkn n PRO 22 N -2.21 -2.35 -4.12 4.98 -0.02 -1.26 -4.74 135.00 125.28 1lkn n PRO 22 Ca 0.02 -0.67 -0.15 0.00 -2.02 0.00 0.00 63.50 60.68 1lkn n PRO 22 Cb 0.57 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.96 1lkn n PRO 22 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1lkn s ILE 23 N -2.31 0.36 0.11 4.25 2.07 -1.26 -3.00 121.20 121.42 1lkn s ILE 23 Ca 0.63 -0.20 0.10 0.00 -1.41 0.00 0.00 60.65 59.77 1lkn s ILE 23 Cb -0.19 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.06 1lkn s ILE 23 CO 0.65 0.10 -0.24 0.86 -1.91 0.00 0.00 174.94 174.40 1lkn s TRP 24 N -0.12 2.07 -0.02 3.50 -0.00 0.19 -4.95 118.94 119.62 1lkn s TRP 24 Ca 0.02 -0.40 0.05 0.00 -0.00 0.00 0.00 56.10 55.77 1lkn s TRP 24 Cb -0.02 -1.14 -0.01 0.00 -0.00 0.00 0.00 33.47 32.30 1lkn s TRP 24 CO -0.00 0.26 -0.19 -1.83 -0.00 0.00 0.00 176.95 175.20 1lkn s GLU 25 N -1.92 1.62 -0.22 5.86 -1.05 -1.26 -1.86 118.70 119.88 1lkn s GLU 25 Ca 0.10 -0.67 -0.11 0.00 -0.15 0.00 0.00 54.97 54.15 1lkn s GLU 25 Cb -0.10 -1.52 0.08 0.00 -0.44 0.00 0.00 34.13 32.15 1lkn s GLU 25 CO 0.05 0.37 0.51 0.21 0.95 0.00 0.00 175.26 177.35 1lkn s LYS 26 N -0.33 0.48 0.71 -4.83 2.47 -0.03 -4.98 119.74 113.22 1lkn s LYS 26 Ca 0.04 1.02 -0.11 0.00 -1.56 0.00 0.00 55.97 55.36 1lkn s LYS 26 Cb -0.08 0.18 0.02 0.00 -1.46 0.00 0.00 37.83 36.48 1lkn s LYS 26 CO 0.00 -0.18 1.07 -1.83 0.16 0.00 0.00 175.35 174.57 1lkn s GLU 27 N 1.86 2.81 0.00 4.03 -1.05 -1.26 0.64 118.70 125.73 1lkn s GLU 27 Ca -0.08 1.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.76 1lkn s GLU 27 Cb -0.09 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 1lkn s GLU 27 CO -0.15 -1.20 0.54 1.33 0.95 0.00 0.00 175.26 176.73 1lkn n VAL 28 N -3.14 0.00 -1.56 1.83 0.24 -1.26 -4.70 118.33 109.74 1lkn n VAL 28 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1lkn n VAL 28 Cb 0.53 -1.47 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 1lkn n VAL 28 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1lkn n SER 29 N 3.17 0.00 -3.69 -1.34 2.88 -1.18 -4.69 113.62 108.78 1lkn n SER 29 Ca 0.00 -0.04 -0.13 0.00 -1.33 0.00 0.00 58.87 57.37 1lkn n SER 29 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1lkn n SER 29 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1lkn s GLU 30 N 2.09 0.17 0.08 -1.46 2.02 -1.26 -0.39 118.70 119.95 1lkn s GLU 30 Ca 0.00 0.68 0.07 0.00 0.02 0.00 0.00 54.97 55.73 1lkn s GLU 30 Cb 0.00 -0.06 -0.03 0.00 0.10 0.00 0.00 34.13 34.14 1lkn s GLU 30 CO 0.00 -0.24 -0.18 -0.59 0.02 0.00 0.00 175.26 174.27 1lkn s PHE 31 N 2.00 1.51 0.10 1.61 -0.71 0.65 -4.97 117.98 118.18 1lkn s PHE 31 Ca -0.03 -0.42 -0.30 0.00 -1.04 0.00 0.00 56.93 55.15 1lkn s PHE 31 Cb -0.11 -0.85 -0.06 0.00 -1.21 0.00 0.00 43.02 40.79 1lkn s PHE 31 CO -0.09 0.12 1.00 0.16 -1.34 0.00 0.00 175.22 175.07 1lkn s ASP 32 N -1.66 7.42 -0.06 1.98 1.47 -1.26 -0.69 116.67 123.87 1lkn s ASP 32 Ca 0.03 1.83 0.03 0.00 1.18 0.00 0.00 52.55 55.63 1lkn s ASP 32 Cb -0.10 -2.59 -0.02 0.00 -0.34 0.00 0.00 42.92 39.87 1lkn s ASP 32 CO 0.03 -0.14 -0.15 0.86 0.68 0.00 0.00 175.17 176.45 1lkn s TRP 33 N 0.16 2.69 -0.11 2.11 -0.00 0.25 -4.85 118.94 119.18 1lkn s TRP 33 Ca 0.49 -0.27 -0.01 0.00 -0.00 0.00 0.00 56.10 56.31 1lkn s TRP 33 Cb -0.24 -1.65 0.03 0.00 -0.00 0.00 0.00 33.47 31.61 1lkn s TRP 33 CO 0.30 0.10 -0.03 -0.47 -0.00 0.00 0.00 176.95 176.85 1lkn s TYR 34 N -0.54 1.10 0.56 5.86 6.14 -1.26 -0.78 117.35 128.43 1lkn s TYR 34 Ca 0.07 -0.52 -0.10 0.00 0.64 0.00 0.00 57.07 57.16 1lkn s TYR 34 Cb -0.11 -1.03 -0.04 0.00 0.42 0.00 0.00 41.96 41.19 1lkn s TYR 34 CO 0.01 -0.45 0.94 -0.47 0.64 0.00 0.00 175.55 176.23 1lkn s TYR 35 N 1.83 3.59 -0.03 4.97 5.04 0.39 -4.98 117.35 128.16 1lkn s TYR 35 Ca 0.04 1.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.84 1lkn s TYR 35 Cb -0.13 -2.59 0.03 0.00 0.35 0.00 0.00 41.96 39.62 1lkn s TYR 35 CO -0.07 -0.52 0.42 -0.40 -1.34 0.00 0.00 175.55 173.64 1lkn n ASP 36 N -2.44 -0.18 0.00 4.32 5.75 -1.26 -2.88 116.55 119.86 1lkn n ASP 36 Ca 0.04 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1lkn n ASP 36 Cb 0.54 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1lkn n ASP 36 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1lkn n THR 37 N -0.12 0.00 -1.54 2.12 5.66 -1.26 -4.87 114.28 114.28 1lkn n THR 37 Ca -0.03 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.74 1lkn n THR 37 Cb 0.44 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.11 1lkn n THR 37 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1lkn n ASN 38 N 0.00 0.94 -4.43 1.09 4.13 -1.26 -4.70 115.26 111.03 1lkn n ASN 38 Ca 0.00 -0.90 -0.22 0.00 1.68 0.00 0.00 54.58 55.14 1lkn n ASN 38 Cb 0.00 -1.29 -0.10 0.00 -1.54 0.00 0.00 39.78 36.84 1lkn n ASN 38 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1lkn s GLU 39 N 8.34 1.54 -0.01 3.52 -1.05 -1.26 -3.17 118.70 126.61 1lkn s GLU 39 Ca 1.08 -1.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 1lkn s GLU 39 Cb -0.43 -1.36 0.01 0.00 -0.44 0.00 0.00 34.13 31.90 1lkn s GLU 39 CO 0.28 0.17 0.01 0.99 0.95 0.00 0.00 175.26 177.66 1lkn s THR 40 N -2.83 0.02 0.13 1.83 2.01 -0.58 -3.99 115.64 112.23 1lkn s THR 40 Ca 0.28 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.38 1lkn s THR 40 Cb -0.00 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 1lkn s THR 40 CO 0.12 0.04 -0.12 0.00 -0.69 0.00 0.00 174.62 173.97 1lkn s TYR 42 N -2.57 1.62 0.53 0.00 5.04 -0.83 -3.34 117.35 117.81 1lkn s TYR 42 Ca 0.11 -0.49 -0.17 0.00 -2.44 0.00 0.00 57.07 54.07 1lkn s TYR 42 Cb -0.02 -1.11 -0.07 0.00 0.35 0.00 0.00 41.96 41.11 1lkn s TYR 42 CO 0.02 -0.18 1.02 0.42 -1.34 0.00 0.00 175.55 175.48 1lkn s ILE 43 N 0.16 4.09 -0.00 3.14 -1.09 0.20 0.16 121.20 127.86 1lkn s ILE 43 Ca -0.06 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 1lkn s ILE 43 Cb -0.12 -3.52 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1lkn s ILE 43 CO 0.02 -0.50 -0.00 -0.11 -1.23 0.00 0.00 174.94 173.13 1lkn n LEU 44 N -1.56 0.89 0.00 2.97 7.94 0.43 -2.82 117.00 124.85 1lkn n LEU 44 Ca 0.08 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1lkn n LEU 44 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1lkn n LEU 44 CO 0.45 0.16 0.00 -1.84 -1.11 0.00 0.00 177.39 175.04 1lkn n GLU 45 N -2.16 0.00 0.00 1.96 0.28 -1.22 -4.60 120.64 114.90 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 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 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 1.11 2.76 -1.84 0.00 -1.25 -2.55 105.19 103.42 1lkn n GLY 46 Ca 0.00 -1.04 -0.22 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 0.44 -0.01 1.61 2.20 -1.25 -2.30 119.74 118.43 1lkn s LYS 47 Ca 0.00 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1lkn s LYS 47 Cb 0.00 -0.82 0.01 0.00 -1.51 0.00 0.00 37.83 35.52 1lkn s LYS 47 CO 0.00 -0.28 -0.00 0.54 -0.36 0.00 0.00 175.35 175.25 1lkn s VAL 48 N 1.87 0.11 -0.28 4.02 0.11 -1.15 0.15 120.40 125.23 1lkn s VAL 48 Ca 0.03 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.05 1lkn s VAL 48 Cb -0.12 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1lkn s VAL 48 CO -0.04 0.08 0.05 -1.61 -3.33 0.00 0.00 175.10 170.25 1lkn s GLU 49 N 0.48 3.12 -0.15 1.54 2.02 -1.05 -2.56 118.70 122.10 1lkn s GLU 49 Ca -0.04 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 54.05 1lkn s GLU 49 Cb -0.07 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 1lkn s GLU 49 CO -0.01 -0.40 0.11 0.08 0.02 0.00 0.00 175.26 175.06 1lkn s VAL 50 N 1.48 5.24 -0.17 2.63 1.01 0.81 -4.06 120.40 127.34 1lkn s VAL 50 Ca 0.03 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1lkn s VAL 50 Cb -0.17 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1lkn s VAL 50 CO 0.01 0.54 -0.07 -0.89 0.00 0.00 0.00 175.10 174.69 1lkn s THR 51 N -0.40 1.25 0.26 3.92 2.01 -1.16 -0.51 115.64 121.01 1lkn s THR 51 Ca 0.11 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 1lkn s THR 51 Cb -0.12 -1.37 -0.08 0.00 0.01 0.00 0.00 72.50 70.94 1lkn s THR 51 CO 0.01 0.18 0.68 0.42 -0.69 0.00 0.00 174.62 175.23 1lkn s THR 52 N 1.58 4.71 0.30 -0.82 -4.23 -0.92 -2.90 115.64 113.37 1lkn s THR 52 Ca 0.01 0.95 0.03 0.00 -1.18 0.00 0.00 61.69 61.50 1lkn s THR 52 Cb -0.15 -3.69 0.29 0.00 1.34 0.00 0.00 72.50 70.29 1lkn s THR 52 CO -0.08 -0.01 1.84 1.05 -0.54 0.00 0.00 174.62 176.88 1lkn h GLU 53 N 2.76 0.90 -0.87 3.99 4.11 -1.90 -0.12 114.58 123.45 1lkn h GLU 53 Ca -0.48 -0.05 0.14 0.00 0.07 0.00 0.00 59.36 59.03 1lkn h GLU 53 Cb 1.18 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 1lkn h GLU 53 CO 0.66 0.59 0.56 0.22 0.07 0.00 0.00 179.01 181.11 1lkn h ASP 54 N 0.92 0.64 0.00 3.06 1.82 -1.93 -3.45 116.42 117.48 1lkn h ASP 54 Ca 0.49 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.16 1lkn h ASP 54 Cb 0.55 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1lkn h ASP 54 CO -0.25 0.33 0.00 0.61 -1.61 0.00 0.00 179.24 178.32 1lkn n GLY 55 N -1.44 0.39 2.77 -0.78 0.00 -0.06 -5.15 105.19 100.93 1lkn n GLY 55 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1lkn n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lkn n LYS 56 N 0.00 -0.37 -3.62 1.61 4.76 -1.24 -4.88 118.16 114.43 1lkn n LYS 56 Ca 0.00 -1.73 -0.16 0.00 -2.87 0.00 0.00 58.31 53.55 1lkn n LYS 56 Cb 0.00 -0.70 -0.07 0.00 -1.84 0.00 0.00 35.03 32.42 1lkn n LYS 56 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1lkn s LYS 57 N -4.67 0.86 -0.13 1.97 1.02 -1.26 -2.15 119.74 115.38 1lkn s LYS 57 Ca 0.50 0.28 -0.04 0.00 0.02 0.00 0.00 55.97 56.74 1lkn s LYS 57 Cb -0.02 0.41 0.05 0.00 -0.52 0.00 0.00 37.83 37.75 1lkn s LYS 57 CO 0.34 -0.23 0.08 0.71 -0.92 0.00 0.00 175.35 175.33 1lkn s TYR 58 N -0.85 0.19 -0.27 3.18 2.02 0.33 -4.96 117.35 116.99 1lkn s TYR 58 Ca -0.09 -0.17 -0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1lkn s TYR 58 Cb -0.02 -0.65 0.01 0.00 -0.40 0.00 0.00 41.96 40.90 1lkn s TYR 58 CO 0.06 -0.42 0.04 0.54 -1.57 0.00 0.00 175.55 174.19 1lkn s VAL 59 N 2.13 3.68 -0.07 0.71 0.11 -1.26 -0.13 120.40 125.56 1lkn s VAL 59 Ca 0.03 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 1lkn s VAL 59 Cb -0.15 -2.86 0.01 0.00 -1.53 0.00 0.00 36.38 31.85 1lkn s VAL 59 CO -0.07 0.15 -0.15 0.27 -3.33 0.00 0.00 175.10 171.97 1lkn s ILE 60 N 1.46 1.38 -0.03 7.04 -4.36 -1.06 -4.98 121.20 120.65 1lkn s ILE 60 Ca 0.03 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 1lkn s ILE 60 Cb -0.17 -1.23 0.03 0.00 1.25 0.00 0.00 42.46 42.34 1lkn s ILE 60 CO 0.00 0.41 0.01 -0.70 0.24 0.00 0.00 174.94 174.90 1lkn s GLU 61 N 0.56 0.22 0.00 0.37 2.12 -1.26 -2.91 118.70 117.80 1lkn s GLU 61 Ca -0.15 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1lkn s GLU 61 Cb -0.16 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.78 1lkn s GLU 61 CO 0.05 -0.16 0.00 1.17 -0.54 0.00 0.00 175.26 175.78 1lkn n LYS 62 N 4.25 -0.10 -0.92 4.30 3.00 -0.97 -3.89 118.16 123.84 1lkn n LYS 62 Ca -0.25 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1lkn n LYS 62 Cb 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 35.03 35.21 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 1.81 0.48 3.67 3.14 0.00 -1.13 -4.96 105.19 108.20 1lkn n GLY 63 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.54 5.01 0.02 1.61 -1.08 -1.25 -3.42 116.67 115.02 1lkn s ASP 64 Ca 0.00 -0.12 0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1lkn s ASP 64 Cb 0.00 -1.23 -0.02 0.00 -1.46 0.00 0.00 42.92 40.22 1lkn s ASP 64 CO 0.00 0.22 -0.09 -1.48 0.52 0.00 0.00 175.17 174.34 1lkn s LEU 65 N -1.94 2.14 0.07 -1.34 2.34 0.06 -0.63 118.68 119.38 1lkn s LEU 65 Ca 0.23 -0.36 0.03 0.00 0.06 0.00 0.00 54.13 54.09 1lkn s LEU 65 Cb -0.12 -0.38 -0.03 0.00 -0.56 0.00 0.00 46.19 45.11 1lkn s LEU 65 CO 0.14 -0.02 -0.10 -0.69 -1.06 0.00 0.00 176.35 174.62 1lkn s VAL 66 N -0.75 0.80 0.08 1.48 1.01 -1.21 -3.04 120.40 118.76 1lkn s VAL 66 Ca -0.01 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 60.69 1lkn s VAL 66 Cb -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1lkn s VAL 66 CO 0.00 -0.41 0.02 -0.89 0.00 0.00 0.00 175.10 173.83 1lkn s THR 67 N -1.72 4.19 -0.02 3.92 2.01 -1.25 -3.89 115.64 118.87 1lkn s THR 67 Ca -0.03 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 1lkn s THR 67 Cb -0.08 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1lkn s THR 67 CO 0.01 0.15 0.14 -0.36 -0.69 0.00 0.00 174.62 173.87 1lkn s PHE 68 N -1.31 -0.03 0.04 4.92 0.40 -1.26 -3.70 117.98 117.04 1lkn s PHE 68 Ca 0.26 0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.48 1lkn s PHE 68 Cb -0.12 -0.01 -0.06 0.00 0.51 0.00 0.00 43.02 43.34 1lkn s PHE 68 CO 0.19 -0.22 0.47 -1.25 0.70 0.00 0.00 175.22 175.10 1lkn s PRO 69 N -0.92 4.00 -0.38 0.24 0.04 -1.26 -4.26 135.00 132.47 1lkn s PRO 69 Ca -0.10 0.51 -0.41 0.00 0.04 0.00 0.00 61.00 61.04 1lkn s PRO 69 Cb -0.06 -3.20 -0.16 0.00 0.04 0.00 0.00 34.50 31.13 1lkn s PRO 69 CO 0.01 0.66 1.94 1.17 0.04 0.00 0.00 177.00 180.82 1lkn n LYS 70 N 1.68 0.72 0.00 4.56 4.81 -1.26 -0.82 118.16 127.85 1lkn n LYS 70 Ca -0.12 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1lkn n LYS 70 Cb 0.52 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1lkn n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lkn n GLY 71 N 5.58 1.01 3.58 3.14 0.00 -1.14 -4.85 105.19 112.52 1lkn n GLY 71 Ca 0.38 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.86 1lkn n GLY 71 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lkn n LEU 72 N 0.00 1.34 -4.06 0.99 7.94 -0.00 -4.39 117.00 118.82 1lkn n LEU 72 Ca 0.00 1.13 -0.32 0.00 -1.11 0.00 0.00 56.01 55.71 1lkn n LEU 72 Cb 0.00 -1.13 -0.16 0.00 0.53 0.00 0.00 43.42 42.66 1lkn n LEU 72 CO 0.00 -1.19 -0.49 -0.60 -1.11 0.00 0.00 177.39 174.00 1lkn s ARG 73 N 0.53 2.44 0.08 1.96 3.52 -1.26 0.15 118.95 126.37 1lkn s ARG 73 Ca 0.86 -0.95 -0.08 0.00 -0.13 0.00 0.00 55.73 55.44 1lkn s ARG 73 Cb -1.03 -2.57 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 1lkn s ARG 73 CO 0.50 -0.37 0.18 0.00 -0.81 0.00 0.00 175.30 174.79 1lkn s ARG 75 N -3.80 3.93 0.07 0.00 3.00 -1.14 0.87 118.95 121.87 1lkn s ARG 75 Ca 0.05 -0.34 0.01 0.00 -1.00 0.00 0.00 55.73 54.45 1lkn s ARG 75 Cb 0.05 -3.47 -0.04 0.00 0.00 0.00 0.00 34.95 31.49 1lkn s ARG 75 CO -0.11 -0.02 0.16 -1.58 0.00 0.00 0.00 175.30 173.75 1lkn s TRP 76 N 1.25 3.39 -0.18 5.12 0.52 0.13 -2.97 118.94 126.20 1lkn s TRP 76 Ca 0.06 0.18 -0.10 0.00 0.02 0.00 0.00 56.10 56.27 1lkn s TRP 76 Cb -0.14 -1.70 0.06 0.00 -1.15 0.00 0.00 33.47 30.54 1lkn s TRP 76 CO 0.05 0.56 0.42 -1.59 0.02 0.00 0.00 176.95 176.42 1lkn s LYS 77 N -2.49 0.41 -0.16 4.98 -2.85 -1.26 -0.25 119.74 118.12 1lkn s LYS 77 Ca 0.33 0.81 -0.05 0.00 -1.00 0.00 0.00 55.97 56.07 1lkn s LYS 77 Cb -0.13 -0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.60 1lkn s LYS 77 CO 0.26 -0.16 -0.01 0.14 0.10 0.00 0.00 175.35 175.67 1lkn s VAL 78 N 1.43 4.10 -0.42 1.79 -7.23 0.48 -2.54 120.40 118.01 1lkn s VAL 78 Ca -0.09 -0.28 0.23 0.00 -1.81 0.00 0.00 61.98 60.02 1lkn s VAL 78 Cb -0.08 -2.81 0.06 0.00 0.56 0.00 0.00 36.38 34.11 1lkn s VAL 78 CO -0.13 0.48 1.22 -0.07 -0.31 0.00 0.00 175.10 176.29 1lkn h LEU 79 N 6.71 0.00 -7.91 1.32 4.07 0.11 -3.12 115.31 116.48 1lkn h LEU 79 Ca -0.32 -0.08 -0.19 0.00 0.08 0.00 0.00 57.88 57.37 1lkn h LEU 79 Cb 1.19 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.70 1lkn h LEU 79 CO 0.65 0.04 -0.71 -1.61 -1.08 0.00 0.00 178.44 175.73 1lkn s GLU 80 N -3.27 0.23 -0.49 1.13 0.41 -1.23 -4.79 118.70 110.69 1lkn s GLU 80 Ca 0.03 -0.45 -0.45 0.00 -0.41 0.00 0.00 54.97 53.69 1lkn s GLU 80 Cb 0.10 0.08 -0.19 0.00 -1.78 0.00 0.00 34.13 32.34 1lkn s GLU 80 CO 0.75 -0.04 1.84 -2.30 -0.49 0.00 0.00 175.26 175.02 1lkn n PRO 81 N 1.99 0.00 -4.10 0.39 -0.02 -1.26 -3.89 135.00 128.11 1lkn n PRO 81 Ca -0.21 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.91 1lkn n PRO 81 Cb 0.56 -1.47 -0.08 0.00 -0.02 0.00 0.00 33.50 32.49 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 4.41 4.97 -0.20 -1.45 0.11 0.21 -3.88 120.40 124.57 1lkn s VAL 82 Ca 1.11 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 60.15 1lkn s VAL 82 Cb -1.47 -3.14 0.06 0.00 -1.53 0.00 0.00 36.38 30.29 1lkn s VAL 82 CO 0.73 0.61 -0.01 -0.13 -3.33 0.00 0.00 175.10 172.97 1lkn s ARG 83 N -0.92 1.08 0.11 1.54 1.81 -1.06 -0.85 118.95 120.66 1lkn s ARG 83 Ca 0.14 -0.61 0.10 0.00 -1.72 0.00 0.00 55.73 53.64 1lkn s ARG 83 Cb -0.12 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.12 1lkn s ARG 83 CO 0.03 -0.59 -0.24 0.21 -0.68 0.00 0.00 175.30 174.03 1lkn s LYS 84 N 1.68 1.61 0.31 3.54 2.20 -0.78 0.16 119.74 128.46 1lkn s LYS 84 Ca -0.02 -1.24 0.06 0.00 -0.36 0.00 0.00 55.97 54.41 1lkn s LYS 84 Cb -0.17 -1.99 -0.02 0.00 -1.51 0.00 0.00 37.83 34.14 1lkn s LYS 84 CO -0.07 0.47 0.39 -1.01 -0.36 0.00 0.00 175.35 174.77 1lkn s HIS 85 N -1.04 3.14 0.29 4.03 3.76 0.42 0.57 115.29 126.47 1lkn s HIS 85 Ca 0.15 -0.19 0.11 0.00 -0.15 0.00 0.00 55.06 54.98 1lkn s HIS 85 Cb -0.10 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 1lkn s HIS 85 CO 0.07 0.16 -0.15 0.71 -0.85 0.00 0.00 174.74 174.67 1lkn s TYR 86 N -2.16 2.36 -0.41 1.40 2.02 -1.16 -1.97 117.35 117.44 1lkn s TYR 86 Ca 0.41 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.83 1lkn s TYR 86 Cb -0.09 -1.10 0.33 0.00 -0.40 0.00 0.00 41.96 40.71 1lkn s TYR 86 CO 0.29 0.68 1.25 -1.71 -1.57 0.00 0.00 175.55 174.49 1lkn n ASN 87 N -0.69 -1.96 -4.84 2.29 5.15 0.33 -4.40 115.26 111.13 1lkn n ASN 87 Ca -0.05 -2.82 -0.34 0.00 -0.60 0.00 0.00 54.58 50.77 1lkn n ASN 87 Cb 0.61 1.37 -0.06 0.00 -0.53 0.00 0.00 39.78 41.17 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 -2.63 4.20 0.00 1.20 1.43 -1.26 -1.53 118.68 120.09 1lkn s LEU 88 Ca 0.20 1.28 0.17 0.00 -1.03 0.00 0.00 54.13 54.75 1lkn s LEU 88 Cb 0.32 -3.78 0.13 0.00 0.03 0.00 0.00 46.19 42.89 1lkn s LEU 88 CO -0.08 -0.08 1.03 0.49 0.23 0.00 0.00 176.35 177.95