#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 2.16 -3.57 2.12 1.02 -1.26 -5.05 120.64 116.05 1lkn n GLU 2 Ca 0.00 -3.96 -0.41 0.00 -0.02 0.00 0.00 57.16 52.78 1lkn n GLU 2 Cb 0.00 -1.83 -0.11 0.00 -0.02 0.00 0.00 31.44 29.48 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 -3.89 4.79 0.03 2.62 1.01 -1.25 -4.06 120.40 119.65 1lkn s VAL 3 Ca 0.40 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1lkn s VAL 3 Cb 0.38 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1lkn s VAL 3 CO -0.09 -0.18 -0.11 -1.59 0.00 0.00 0.00 175.10 173.14 1lkn s LYS 4 N 1.61 2.32 -0.22 2.72 0.00 -1.26 -4.91 119.74 120.00 1lkn s LYS 4 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 55.97 55.12 1lkn s LYS 4 Cb -0.19 -2.36 0.00 0.00 0.00 0.00 0.00 37.83 35.29 1lkn s LYS 4 CO 0.08 0.56 -0.08 0.42 0.00 0.00 0.00 175.35 176.34 1lkn s ILE 5 N -1.01 3.02 -0.07 3.79 -1.09 -1.26 -3.69 121.20 120.88 1lkn s ILE 5 Ca 0.17 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.73 1lkn s ILE 5 Cb -0.11 -2.40 0.03 0.00 -1.58 0.00 0.00 42.46 38.41 1lkn s ILE 5 CO 0.08 0.39 0.39 -0.70 -1.23 0.00 0.00 174.94 173.87 1lkn s GLU 6 N 1.41 0.64 -0.46 2.79 2.12 -1.17 -5.03 118.70 118.99 1lkn s GLU 6 Ca 0.04 0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.46 1lkn s GLU 6 Cb -0.15 0.29 0.12 0.00 0.26 0.00 0.00 34.13 34.66 1lkn s GLU 6 CO -0.05 -0.15 0.30 0.15 -0.54 0.00 0.00 175.26 174.97 1lkn s LYS 7 N -0.72 2.30 0.15 4.30 3.01 -1.26 -0.95 119.74 126.57 1lkn s LYS 7 Ca -0.08 -1.86 -0.34 0.00 -1.01 0.00 0.00 55.97 52.67 1lkn s LYS 7 Cb -0.04 -3.77 -0.15 0.00 -1.01 0.00 0.00 37.83 32.86 1lkn s LYS 7 CO 0.03 -1.14 1.50 -2.30 0.51 0.00 0.00 175.35 173.95 1lkn n PRO 8 N 4.64 1.89 -3.12 -1.68 -0.02 -1.25 -4.98 135.00 130.49 1lkn n PRO 8 Ca -0.04 0.68 -0.28 0.00 -2.02 0.00 0.00 63.50 61.84 1lkn n PRO 8 Cb 0.41 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1lkn n PRO 8 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1lkn s THR 9 N 0.70 4.95 0.48 3.45 -1.32 -1.26 -4.71 115.64 117.93 1lkn s THR 9 Ca 0.79 0.18 0.43 0.00 -1.21 0.00 0.00 61.69 61.87 1lkn s THR 9 Cb -0.74 -3.76 0.63 0.00 -1.51 0.00 0.00 72.50 67.11 1lkn s THR 9 CO 0.41 -0.47 1.36 -2.65 -2.21 0.00 0.00 174.62 171.07 1lkn n PRO 10 N -1.30 -0.00 -0.01 7.08 -0.01 -1.26 0.16 135.00 139.66 1lkn n PRO 10 Ca -0.01 0.96 -0.17 0.00 -0.01 0.00 0.00 63.50 64.28 1lkn n PRO 10 Cb 0.54 -2.19 -0.10 0.00 -0.01 0.00 0.00 33.50 31.74 1lkn n PRO 10 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1lkn h GLU 11 N 0.00 0.42 0.00 -0.52 4.81 -2.01 -3.03 114.58 114.26 1lkn h GLU 11 Ca 0.82 -0.42 -0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1lkn h GLU 11 Cb 3.23 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 32.71 1lkn h GLU 11 CO -0.05 1.08 -0.87 0.87 -0.73 0.00 0.00 179.01 179.31 1lkn h LYS 12 N -0.07 0.18 0.00 1.92 1.79 0.11 -3.20 116.57 117.30 1lkn h LYS 12 Ca -0.06 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 58.16 1lkn h LYS 12 Cb 1.26 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1lkn h LYS 12 CO 0.11 0.94 -0.22 -0.07 -1.08 0.00 0.00 179.45 179.14 1lkn h LEU 13 N 0.10 0.00 -0.45 2.94 3.38 -0.64 -1.40 115.31 119.23 1lkn h LEU 13 Ca -0.04 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1lkn h LEU 13 Cb 1.50 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.18 1lkn h LEU 13 CO 0.13 0.22 0.03 0.50 0.09 0.00 0.00 178.44 179.41 1lkn h LYS 14 N 0.00 0.14 0.00 1.13 1.63 -1.52 1.25 116.57 119.20 1lkn h LYS 14 Ca -0.00 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.61 1lkn h LYS 14 Cb 0.39 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 1lkn h LYS 14 CO 0.03 0.09 -0.84 0.93 -3.45 0.00 0.00 179.45 176.21 1lkn h GLU 15 N 0.15 0.00 -0.57 1.90 5.08 -1.67 -3.12 114.58 116.34 1lkn h GLU 15 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1lkn h GLU 15 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1lkn h GLU 15 CO -0.35 0.84 0.00 1.28 -1.00 0.00 0.00 179.01 179.79 1lkn n LEU 16 N -3.34 2.69 -1.91 1.33 4.77 -0.48 -4.94 117.00 115.11 1lkn n LEU 16 Ca 0.00 -1.36 -0.08 0.00 -0.03 0.00 0.00 56.01 54.55 1lkn n LEU 16 Cb 0.86 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1lkn n LEU 16 CO 0.45 0.48 0.81 -1.20 -1.33 0.00 0.00 177.39 176.60 1lkn n SER 17 N 0.47 -0.69 0.27 -1.43 7.64 0.42 -4.69 113.62 115.61 1lkn n SER 17 Ca 0.13 -0.31 0.16 0.00 1.01 0.00 0.00 58.87 59.86 1lkn n SER 17 Cb 0.52 -0.24 0.63 0.00 -1.01 0.00 0.00 64.21 64.11 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 3.04 0.08 -1.07 0.44 -1.51 -1.93 -3.05 116.25 112.25 1lkn h VAL 18 Ca 0.01 -0.62 0.29 0.00 -1.23 0.00 0.00 66.70 65.16 1lkn h VAL 18 Cb 0.48 1.57 -0.08 0.00 -2.13 0.00 0.00 31.29 31.13 1lkn h VAL 18 CO 0.65 0.03 0.72 1.05 -1.23 0.00 0.00 177.57 178.79 1lkn h GLU 19 N 0.00 0.26 0.00 5.19 4.11 -1.94 1.10 114.58 123.30 1lkn h GLU 19 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 1lkn h GLU 19 Cb 0.57 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1lkn h GLU 19 CO 0.00 0.17 -0.19 0.87 0.07 0.00 0.00 179.01 179.94 1lkn h LYS 20 N 0.27 0.00 -6.86 1.06 1.57 -1.91 -3.45 116.57 107.25 1lkn h LYS 20 Ca 0.58 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.89 1lkn h LYS 20 Cb 1.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.02 1lkn h LYS 20 CO -0.22 0.19 0.19 -1.58 -0.57 0.00 0.00 179.45 177.46 1lkn s TRP 21 N -3.27 3.36 1.16 -1.35 0.51 0.38 -5.06 118.94 114.67 1lkn s TRP 21 Ca 0.04 1.34 -0.17 0.00 -2.12 0.00 0.00 56.10 55.20 1lkn s TRP 21 Cb 0.07 -2.64 0.26 0.00 -0.81 0.00 0.00 33.47 30.35 1lkn s TRP 21 CO 0.67 -0.00 0.59 -0.35 -0.51 0.00 0.00 176.95 177.35 1lkn n PRO 22 N -0.56 -2.74 -3.99 4.98 -0.04 -1.26 -4.77 135.00 126.62 1lkn n PRO 22 Ca 0.05 -0.99 -0.11 0.00 -0.04 0.00 0.00 63.50 62.41 1lkn n PRO 22 Cb 0.53 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.04 0.19 -0.08 0.52 1.09 -1.26 -3.83 121.20 115.79 1lkn s ILE 23 Ca 0.45 -0.75 0.03 0.00 -1.10 0.00 0.00 60.65 59.28 1lkn s ILE 23 Cb -0.08 -0.29 0.01 0.00 -1.06 0.00 0.00 42.46 41.04 1lkn s ILE 23 CO 0.38 -0.36 -0.17 0.86 -0.10 0.00 0.00 174.94 175.55 1lkn s TRP 24 N -1.13 1.90 -0.15 3.97 -0.00 -0.71 -4.99 118.94 117.83 1lkn s TRP 24 Ca -0.11 -0.73 -0.02 0.00 -0.00 0.00 0.00 56.10 55.24 1lkn s TRP 24 Cb -0.08 -1.32 -0.02 0.00 -0.00 0.00 0.00 33.47 32.05 1lkn s TRP 24 CO -0.01 -0.32 -0.09 -1.21 -0.00 0.00 0.00 176.95 175.33 1lkn s GLU 25 N 0.48 3.47 -0.09 5.86 2.02 -1.26 -2.76 118.70 126.43 1lkn s GLU 25 Ca -0.15 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.11 1lkn s GLU 25 Cb -0.16 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.31 1lkn s GLU 25 CO 0.06 0.15 0.27 0.21 0.02 0.00 0.00 175.26 175.97 1lkn s LYS 26 N 0.54 0.36 0.44 1.61 2.47 -0.34 -5.00 119.74 119.81 1lkn s LYS 26 Ca -0.06 0.30 -0.03 0.00 -1.56 0.00 0.00 55.97 54.62 1lkn s LYS 26 Cb -0.15 0.17 -0.03 0.00 -1.46 0.00 0.00 37.83 36.36 1lkn s LYS 26 CO 0.03 -0.05 0.71 -1.83 0.16 0.00 0.00 175.35 174.37 1lkn s GLU 27 N -0.04 3.47 0.00 4.03 1.03 -1.26 0.52 118.70 126.45 1lkn s GLU 27 Ca -0.02 -0.02 -0.06 0.00 0.03 0.00 0.00 54.97 54.90 1lkn s GLU 27 Cb -0.02 -2.47 -0.08 0.00 -0.80 0.00 0.00 34.13 30.75 1lkn s GLU 27 CO 0.01 -0.11 0.85 0.28 -1.33 0.00 0.00 175.26 174.96 1lkn n VAL 28 N -2.11 0.00 -1.18 1.83 0.31 -1.26 -4.78 118.33 111.14 1lkn n VAL 28 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1lkn n VAL 28 Cb 0.56 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1lkn n VAL 28 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1lkn n SER 29 N 5.13 0.00 -3.69 4.52 2.88 -1.26 -4.83 113.62 116.36 1lkn n SER 29 Ca 0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.51 1lkn n SER 29 Cb 0.11 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.44 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 2.55 0.20 0.08 -1.46 8.01 -1.26 -2.50 118.70 124.32 1lkn s GLU 30 Ca 0.00 0.68 0.07 0.00 0.01 0.00 0.00 54.97 55.73 1lkn s GLU 30 Cb 0.00 -0.05 -0.03 0.00 -4.31 0.00 0.00 34.13 29.74 1lkn s GLU 30 CO 0.00 -0.23 -0.18 -0.06 0.01 0.00 0.00 175.26 174.80 1lkn s PHE 31 N 1.92 1.56 -0.04 1.61 0.08 0.15 -5.00 117.98 118.27 1lkn s PHE 31 Ca -0.04 -0.42 -0.19 0.00 0.12 0.00 0.00 56.93 56.40 1lkn s PHE 31 Cb -0.11 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.41 1lkn s PHE 31 CO -0.09 0.13 0.54 0.34 -0.10 0.00 0.00 175.22 176.04 1lkn s ASP 32 N -1.70 6.87 -0.12 1.36 2.15 -1.26 0.40 116.67 124.37 1lkn s ASP 32 Ca 0.04 1.03 0.00 0.00 0.43 0.00 0.00 52.55 54.05 1lkn s ASP 32 Cb -0.10 -2.33 -0.01 0.00 -0.30 0.00 0.00 42.92 40.18 1lkn s ASP 32 CO 0.03 0.09 -0.14 0.86 -0.17 0.00 0.00 175.17 175.84 1lkn s TRP 33 N -0.03 2.78 -0.16 -5.34 -0.00 0.51 -4.87 118.94 111.83 1lkn s TRP 33 Ca 0.29 -0.64 -0.02 0.00 -0.00 0.00 0.00 56.10 55.73 1lkn s TRP 33 Cb -0.17 -1.82 0.05 0.00 -0.00 0.00 0.00 33.47 31.53 1lkn s TRP 33 CO 0.15 -0.20 0.00 -0.47 -0.00 0.00 0.00 176.95 176.43 1lkn s TYR 34 N 0.27 1.17 0.65 5.86 5.04 -1.26 -1.30 117.35 127.77 1lkn s TYR 34 Ca -0.10 -0.79 -0.13 0.00 -2.44 0.00 0.00 57.07 53.62 1lkn s TYR 34 Cb -0.16 -1.07 -0.01 0.00 0.35 0.00 0.00 41.96 41.07 1lkn s TYR 34 CO 0.06 -0.55 1.05 -0.47 -1.34 0.00 0.00 175.55 174.30 1lkn s TYR 35 N 1.81 3.12 0.00 4.97 5.04 0.25 -4.98 117.35 127.56 1lkn s TYR 35 Ca 0.01 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1lkn s TYR 35 Cb -0.16 -2.91 0.01 0.00 0.35 0.00 0.00 41.96 39.25 1lkn s TYR 35 CO -0.07 -1.12 0.82 -0.40 -1.34 0.00 0.00 175.55 173.44 1lkn n ASP 36 N -2.66 -0.58 0.00 4.32 5.75 -1.26 -3.48 116.55 118.64 1lkn n ASP 36 Ca 0.08 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1lkn n ASP 36 Cb 0.53 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 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 0.01 0.00 -1.55 2.12 5.66 -1.26 -4.94 114.28 114.32 1lkn n THR 37 Ca -0.17 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.61 1lkn n THR 37 Cb 0.63 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.35 1lkn n THR 37 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1lkn n ASN 38 N 0.00 1.77 -4.66 1.09 2.85 -1.26 -4.60 115.26 110.45 1lkn n ASN 38 Ca 0.00 -1.08 -0.23 0.00 -0.11 0.00 0.00 54.58 53.16 1lkn n ASN 38 Cb 0.00 -1.56 -0.07 0.00 1.24 0.00 0.00 39.78 39.38 1lkn n ASN 38 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1lkn s GLU 39 N 8.63 2.26 -0.01 1.20 2.12 -1.26 -2.92 118.70 128.72 1lkn s GLU 39 Ca 0.98 -1.51 0.00 0.00 0.36 0.00 0.00 54.97 54.79 1lkn s GLU 39 Cb -0.21 -2.11 0.02 0.00 0.26 0.00 0.00 34.13 32.08 1lkn s GLU 39 CO 0.18 0.26 0.02 0.99 -0.54 0.00 0.00 175.26 176.17 1lkn s THR 40 N -2.39 -0.02 0.10 -1.70 2.01 0.18 -3.89 115.64 109.93 1lkn s THR 40 Ca 0.33 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.52 1lkn s THR 40 Cb -0.04 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 1lkn s THR 40 CO 0.20 0.06 -0.13 0.00 -0.69 0.00 0.00 174.62 174.07 1lkn s TYR 42 N -1.90 1.83 0.20 0.00 5.04 0.00 -3.32 117.35 119.21 1lkn s TYR 42 Ca 0.04 -0.73 -0.30 0.00 -2.44 0.00 0.00 57.07 53.64 1lkn s TYR 42 Cb -0.06 -1.29 -0.08 0.00 0.35 0.00 0.00 41.96 40.87 1lkn s TYR 42 CO 0.02 -0.34 0.94 0.42 -1.34 0.00 0.00 175.55 175.25 1lkn s ILE 43 N 0.62 4.20 0.00 3.14 -1.09 -0.92 0.16 121.20 127.30 1lkn s ILE 43 Ca -0.15 2.08 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 1lkn s ILE 43 Cb -0.16 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 1lkn s ILE 43 CO 0.05 0.45 0.00 -0.11 -1.23 0.00 0.00 174.94 174.09 1lkn n LEU 44 N 1.86 0.00 0.00 2.97 7.94 0.44 0.16 117.00 130.37 1lkn n LEU 44 Ca -0.01 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 1lkn n LEU 44 Cb 0.48 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1lkn n LEU 44 CO 0.50 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.99 1lkn n GLU 45 N -1.34 0.00 0.00 1.96 2.13 -0.50 -4.64 120.64 118.25 1lkn n GLU 45 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1lkn n GLU 45 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1lkn n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lkn n GLY 46 N 0.00 0.76 2.78 8.31 0.00 -1.20 0.66 105.19 116.51 1lkn n GLY 46 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.98 0.57 -0.04 1.61 2.20 -1.23 -2.69 119.74 118.17 1lkn s LYS 47 Ca 0.00 0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 1lkn s LYS 47 Cb 0.00 -0.89 0.02 0.00 -1.51 0.00 0.00 37.83 35.45 1lkn s LYS 47 CO 0.00 -0.27 -0.07 0.08 -0.36 0.00 0.00 175.35 174.73 1lkn s VAL 48 N 1.79 0.73 -0.32 4.02 1.01 -1.14 0.38 120.40 126.87 1lkn s VAL 48 Ca 0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1lkn s VAL 48 Cb -0.13 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1lkn s VAL 48 CO -0.04 0.26 0.09 -1.61 0.00 0.00 0.00 175.10 173.79 1lkn s GLU 49 N 0.68 2.81 -0.17 2.72 2.02 -1.06 -2.77 118.70 122.94 1lkn s GLU 49 Ca -0.11 -1.04 -0.08 0.00 0.02 0.00 0.00 54.97 53.76 1lkn s GLU 49 Cb -0.13 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1lkn s GLU 49 CO 0.01 -0.56 0.10 0.08 0.02 0.00 0.00 175.26 174.91 1lkn s VAL 50 N 1.44 5.14 -0.18 2.63 1.01 -0.61 -3.84 120.40 125.99 1lkn s VAL 50 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1lkn s VAL 50 Cb -0.18 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1lkn s VAL 50 CO 0.02 0.48 -0.07 -0.89 0.00 0.00 0.00 175.10 174.65 1lkn s THR 51 N 0.08 1.28 0.35 3.92 2.01 -1.22 -0.70 115.64 121.37 1lkn s THR 51 Ca 0.07 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.20 1lkn s THR 51 Cb -0.12 -1.42 -0.08 0.00 0.01 0.00 0.00 72.50 70.89 1lkn s THR 51 CO -0.00 0.14 0.75 0.42 -0.69 0.00 0.00 174.62 175.24 1lkn s THR 52 N 1.56 4.72 0.37 -0.82 -4.23 -0.83 -3.08 115.64 113.33 1lkn s THR 52 Ca 0.00 0.81 0.05 0.00 -1.18 0.00 0.00 61.69 61.38 1lkn s THR 52 Cb -0.16 -3.66 0.23 0.00 1.34 0.00 0.00 72.50 70.25 1lkn s THR 52 CO -0.08 -0.32 1.98 1.05 -0.54 0.00 0.00 174.62 176.72 1lkn h GLU 53 N 1.86 0.58 -0.39 3.99 9.09 -1.89 -1.69 114.58 126.13 1lkn h GLU 53 Ca -0.48 -0.07 0.09 0.00 0.05 0.00 0.00 59.36 58.96 1lkn h GLU 53 Cb 1.18 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 28.14 1lkn h GLU 53 CO 0.65 0.46 0.27 0.22 0.05 0.00 0.00 179.01 180.66 1lkn h ASP 54 N 0.59 0.12 0.00 3.06 3.58 -1.93 -3.45 116.42 118.39 1lkn h ASP 54 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1lkn h ASP 54 Cb 0.08 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1lkn h ASP 54 CO -0.02 0.08 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 1lkn n GLY 55 N -1.57 1.98 3.96 -0.78 0.00 -0.64 -5.15 105.19 103.00 1lkn n GLY 55 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.02 2.26 -0.23 1.61 -0.14 -1.23 -4.94 119.74 117.05 1lkn s LYS 56 Ca 0.00 -1.88 -0.13 0.00 -1.36 0.00 0.00 55.97 52.61 1lkn s LYS 56 Cb 0.00 -2.32 0.07 0.00 -1.68 0.00 0.00 37.83 33.90 1lkn s LYS 56 CO 0.00 -0.74 0.56 0.21 -0.76 0.00 0.00 175.35 174.62 1lkn s LYS 57 N -4.45 0.56 -0.24 1.68 2.20 -1.26 -1.97 119.74 116.25 1lkn s LYS 57 Ca 0.45 1.06 0.02 0.00 -0.36 0.00 0.00 55.97 57.14 1lkn s LYS 57 Cb -0.04 0.12 0.05 0.00 -1.51 0.00 0.00 37.83 36.46 1lkn s LYS 57 CO 0.29 -0.16 -0.11 0.71 -0.36 0.00 0.00 175.35 175.72 1lkn s TYR 58 N 1.66 2.91 -0.33 4.03 2.02 0.13 -4.97 117.35 122.79 1lkn s TYR 58 Ca -0.09 -2.03 -0.12 0.00 -0.37 0.00 0.00 57.07 54.46 1lkn s TYR 58 Cb -0.07 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 1lkn s TYR 58 CO -0.17 -0.83 0.22 0.14 -1.57 0.00 0.00 175.55 173.34 1lkn s VAL 59 N 1.22 5.09 -0.14 0.71 -7.23 -1.26 -1.57 120.40 117.22 1lkn s VAL 59 Ca -0.06 -0.28 -0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1lkn s VAL 59 Cb -0.18 -3.61 0.03 0.00 0.56 0.00 0.00 36.38 33.18 1lkn s VAL 59 CO -0.07 0.01 -0.08 0.27 -0.31 0.00 0.00 175.10 174.92 1lkn s ILE 60 N 1.69 1.18 -0.03 -0.62 -4.36 -1.11 -5.02 121.20 112.93 1lkn s ILE 60 Ca 0.06 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.94 1lkn s ILE 60 Cb -0.17 -1.24 0.03 0.00 1.25 0.00 0.00 42.46 42.32 1lkn s ILE 60 CO 0.09 0.28 0.01 -0.70 0.24 0.00 0.00 174.94 174.87 1lkn s GLU 61 N 1.63 0.20 0.01 0.37 2.12 -1.26 -2.89 118.70 118.88 1lkn s GLU 61 Ca 0.03 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.46 1lkn s GLU 61 Cb -0.14 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 33.85 1lkn s GLU 61 CO -0.08 -0.14 0.00 1.63 -0.54 0.00 0.00 175.26 176.13 1lkn n LYS 62 N 4.12 -2.04 -3.45 4.30 4.76 -1.10 -4.47 118.16 120.27 1lkn n LYS 62 Ca -0.27 1.48 -0.20 0.00 -2.87 0.00 0.00 58.31 56.45 1lkn n LYS 62 Cb 0.50 -2.14 0.03 0.00 -1.84 0.00 0.00 35.03 31.59 1lkn n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lkn n GLY 63 N 1.93 -1.13 3.02 0.72 0.00 0.12 -4.94 105.19 104.91 1lkn n GLY 63 Ca 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.28 0.13 -0.04 1.61 -1.08 -1.23 -3.95 116.67 108.84 1lkn s ASP 64 Ca 0.30 0.56 0.02 0.00 -0.52 0.00 0.00 52.55 52.91 1lkn s ASP 64 Cb -0.08 0.58 -0.03 0.00 -1.46 0.00 0.00 42.92 41.93 1lkn s ASP 64 CO 0.81 -0.21 -0.06 -1.48 0.52 0.00 0.00 175.17 174.75 1lkn s LEU 65 N 1.98 3.21 0.06 -1.34 0.05 -0.12 -2.18 118.68 120.35 1lkn s LEU 65 Ca -0.03 -0.06 0.03 0.00 0.05 0.00 0.00 54.13 54.13 1lkn s LEU 65 Cb -0.11 -1.76 -0.03 0.00 -2.05 0.00 0.00 46.19 42.24 1lkn s LEU 65 CO -0.08 0.33 -0.10 -0.69 -0.55 0.00 0.00 176.35 175.25 1lkn s VAL 66 N -0.90 0.79 0.10 1.48 1.01 -1.21 -3.06 120.40 118.61 1lkn s VAL 66 Ca 0.15 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1lkn s VAL 66 Cb -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1lkn s VAL 66 CO 0.04 -0.36 0.15 -0.89 0.00 0.00 0.00 175.10 174.05 1lkn s THR 67 N -1.52 4.85 -0.02 3.92 2.01 -1.24 -3.97 115.64 119.67 1lkn s THR 67 Ca -0.05 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1lkn s THR 67 Cb -0.09 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1lkn s THR 67 CO 0.01 0.05 0.12 -0.36 -0.69 0.00 0.00 174.62 173.75 1lkn s PHE 68 N -1.55 -0.01 0.07 4.92 0.40 -1.25 -3.83 117.98 116.73 1lkn s PHE 68 Ca 0.32 0.01 -0.17 0.00 -0.60 0.00 0.00 56.93 56.50 1lkn s PHE 68 Cb -0.12 -0.02 -0.06 0.00 0.51 0.00 0.00 43.02 43.32 1lkn s PHE 68 CO 0.25 -0.20 0.51 -1.25 0.70 0.00 0.00 175.22 175.23 1lkn s PRO 69 N -0.88 4.05 -0.04 0.24 0.04 -1.26 -4.18 135.00 132.97 1lkn s PRO 69 Ca -0.10 0.57 -0.37 0.00 0.04 0.00 0.00 61.00 61.14 1lkn s PRO 69 Cb -0.05 -3.15 -0.16 0.00 0.04 0.00 0.00 34.50 31.17 1lkn s PRO 69 CO 0.01 0.62 1.53 1.17 0.04 0.00 0.00 177.00 180.36 1lkn n LYS 70 N 1.51 1.31 0.00 4.56 4.81 -1.26 -0.73 118.16 128.35 1lkn n LYS 70 Ca -0.10 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1lkn n LYS 70 Cb 0.51 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.41 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 3.28 2.05 3.61 3.14 0.00 -1.23 -4.94 105.19 111.10 1lkn n GLY 71 Ca 0.21 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.63 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 0.86 -3.87 0.99 -0.00 0.09 -4.42 117.00 110.65 1lkn n LEU 72 Ca 0.00 1.15 -0.28 0.00 -0.00 0.00 0.00 56.01 56.88 1lkn n LEU 72 Cb 0.00 -0.97 -0.16 0.00 -0.00 0.00 0.00 43.42 42.29 1lkn n LEU 72 CO 0.00 -1.30 -0.42 -0.60 -0.00 0.00 0.00 177.39 175.08 1lkn s ARG 73 N 1.38 1.33 0.10 1.96 3.52 -1.26 0.87 118.95 126.84 1lkn s ARG 73 Ca 0.95 -0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 55.92 1lkn s ARG 73 Cb -1.28 -2.02 0.01 0.00 -1.56 0.00 0.00 34.95 30.11 1lkn s ARG 73 CO 0.64 -0.46 0.26 0.00 -0.81 0.00 0.00 175.30 174.93 1lkn s ARG 75 N -3.72 4.30 -0.03 0.00 6.06 -1.18 -0.36 118.95 124.03 1lkn s ARG 75 Ca 0.03 0.42 -0.02 0.00 -2.50 0.00 0.00 55.73 53.66 1lkn s ARG 75 Cb 0.03 -3.47 -0.04 0.00 0.06 0.00 0.00 34.95 31.54 1lkn s ARG 75 CO -0.11 0.08 0.13 -1.58 -2.50 0.00 0.00 175.30 171.32 1lkn s TRP 76 N 0.88 3.43 -0.21 5.12 0.52 0.16 -3.44 118.94 125.40 1lkn s TRP 76 Ca 0.25 0.32 -0.04 0.00 0.02 0.00 0.00 56.10 56.65 1lkn s TRP 76 Cb -0.15 -1.81 0.11 0.00 -1.15 0.00 0.00 33.47 30.47 1lkn s TRP 76 CO 0.10 0.61 0.34 -1.59 0.02 0.00 0.00 176.95 176.43 1lkn s LYS 77 N -1.65 0.29 0.13 4.98 -2.85 -1.25 -0.67 119.74 118.72 1lkn s LYS 77 Ca 0.23 0.58 -0.26 0.00 -1.00 0.00 0.00 55.97 55.51 1lkn s LYS 77 Cb -0.12 -0.43 -0.07 0.00 -2.06 0.00 0.00 37.83 35.14 1lkn s LYS 77 CO 0.13 -0.54 0.81 0.08 0.10 0.00 0.00 175.35 175.94 1lkn s VAL 78 N 2.50 4.47 -0.19 1.79 1.01 -1.04 -2.55 120.40 126.38 1lkn s VAL 78 Ca 0.08 1.76 0.17 0.00 0.00 0.00 0.00 61.98 63.99 1lkn s VAL 78 Cb -0.15 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 1lkn s VAL 78 CO -0.14 0.45 0.09 0.18 0.00 0.00 0.00 175.10 175.68 1lkn n LEU 79 N 2.11 0.16 -4.01 3.92 4.32 0.16 -4.15 117.00 119.51 1lkn n LEU 79 Ca -0.03 0.01 -0.08 0.00 -0.02 0.00 0.00 56.01 55.89 1lkn n LEU 79 Cb 0.49 0.43 -0.10 0.00 -1.62 0.00 0.00 43.42 42.61 1lkn n LEU 79 CO 0.47 0.51 -0.34 -1.61 -1.22 0.00 0.00 177.39 175.21 1lkn s GLU 80 N -2.50 0.44 -0.32 3.23 8.01 -1.25 -4.80 118.70 121.51 1lkn s GLU 80 Ca -0.11 -0.82 -0.34 0.00 0.01 0.00 0.00 54.97 53.72 1lkn s GLU 80 Cb 0.06 0.16 -0.15 0.00 -4.31 0.00 0.00 34.13 29.90 1lkn s GLU 80 CO 0.82 -0.08 1.12 -2.30 0.01 0.00 0.00 175.26 174.82 1lkn n PRO 81 N 1.02 0.00 -4.04 0.39 -0.02 -1.26 -3.55 135.00 127.54 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 0.57 -1.09 -0.09 0.00 -0.02 0.00 0.00 33.50 32.88 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 1.91 4.87 -0.18 -1.45 0.11 0.19 -3.27 120.40 122.58 1lkn s VAL 82 Ca 0.75 -0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.75 1lkn s VAL 82 Cb -1.07 -3.15 0.06 0.00 -1.53 0.00 0.00 36.38 30.69 1lkn s VAL 82 CO 0.57 0.52 0.05 -0.13 -3.33 0.00 0.00 175.10 172.79 1lkn s ARG 83 N -0.14 0.43 0.08 1.54 1.81 0.21 -1.20 118.95 121.68 1lkn s ARG 83 Ca 0.07 -0.26 0.02 0.00 -1.72 0.00 0.00 55.73 53.84 1lkn s ARG 83 Cb -0.12 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 32.41 1lkn s ARG 83 CO 0.01 -0.63 -0.07 -1.59 -0.68 0.00 0.00 175.30 172.34 1lkn s LYS 84 N 1.97 0.75 0.32 3.54 -2.85 -1.11 0.17 119.74 122.52 1lkn s LYS 84 Ca 0.00 -1.15 0.06 0.00 -1.00 0.00 0.00 55.97 53.89 1lkn s LYS 84 Cb -0.16 -0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 35.31 1lkn s LYS 84 CO -0.08 0.02 0.45 -1.01 0.10 0.00 0.00 175.35 174.83 1lkn s HIS 85 N -2.80 3.20 0.30 1.78 3.76 0.43 -1.73 115.29 120.22 1lkn s HIS 85 Ca 0.05 -0.16 0.11 0.00 -0.15 0.00 0.00 55.06 54.91 1lkn s HIS 85 Cb -0.00 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.73 1lkn s HIS 85 CO -0.03 0.09 -0.14 0.71 -0.85 0.00 0.00 174.74 174.52 1lkn s TYR 86 N -2.14 2.38 -0.46 1.40 2.02 -1.25 -0.82 117.35 118.49 1lkn s TYR 86 Ca 0.42 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1lkn s TYR 86 Cb -0.09 -1.13 0.23 0.00 -0.40 0.00 0.00 41.96 40.57 1lkn s TYR 86 CO 0.31 0.67 0.92 -1.71 -1.57 0.00 0.00 175.55 174.17 1lkn n ASN 87 N -0.71 -2.67 -4.91 2.29 2.85 0.44 -4.66 115.26 107.90 1lkn n ASN 87 Ca -0.05 -2.78 -0.33 0.00 -0.11 0.00 0.00 54.58 51.32 1lkn n ASN 87 Cb 0.61 1.55 -0.05 0.00 1.24 0.00 0.00 39.78 43.13 1lkn n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1lkn s LEU 88 N -0.09 4.36 0.00 1.20 1.02 -1.26 0.52 118.68 124.44 1lkn s LEU 88 Ca 0.30 0.35 0.25 0.00 0.02 0.00 0.00 54.13 55.06 1lkn s LEU 88 Cb 0.16 -2.77 0.47 0.00 0.02 0.00 0.00 46.19 44.07 1lkn s LEU 88 CO -0.16 0.22 1.42 0.49 0.02 0.00 0.00 176.35 178.34