#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 2.91 -3.25 0.03 2.13 -1.26 -4.97 120.64 116.23 1lkn n GLU 2 Ca 0.00 -3.70 -0.42 0.00 0.66 0.00 0.00 57.16 53.70 1lkn n GLU 2 Cb 0.00 -2.27 -0.08 0.00 0.27 0.00 0.00 31.44 29.36 1lkn n GLU 2 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1lkn s VAL 3 N -5.12 5.01 0.19 6.31 1.01 -1.25 -4.49 120.40 122.07 1lkn s VAL 3 Ca 0.53 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.73 1lkn s VAL 3 Cb 0.44 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1lkn s VAL 3 CO -0.30 -0.31 -0.09 -1.59 0.00 0.00 0.00 175.10 172.80 1lkn s LYS 4 N 2.38 2.06 -0.19 2.72 0.00 -1.26 -4.91 119.74 120.54 1lkn s LYS 4 Ca 0.17 -1.31 0.01 0.00 0.00 0.00 0.00 55.97 54.84 1lkn s LYS 4 Cb -0.16 -2.14 0.03 0.00 0.00 0.00 0.00 37.83 35.56 1lkn s LYS 4 CO 0.14 0.42 -0.17 0.42 0.00 0.00 0.00 175.35 176.16 1lkn s ILE 5 N -1.80 1.95 0.01 3.79 -1.09 -1.26 -3.76 121.20 119.03 1lkn s ILE 5 Ca 0.26 -0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 57.52 1lkn s ILE 5 Cb -0.08 -1.84 0.03 0.00 -1.58 0.00 0.00 42.46 38.99 1lkn s ILE 5 CO 0.16 0.42 0.38 -1.61 -1.23 0.00 0.00 174.94 173.06 1lkn s GLU 6 N 1.31 0.81 -0.44 2.79 0.41 -1.15 -5.01 118.70 117.41 1lkn s GLU 6 Ca 0.03 -0.24 -0.06 0.00 -0.41 0.00 0.00 54.97 54.29 1lkn s GLU 6 Cb -0.14 0.36 0.12 0.00 -1.78 0.00 0.00 34.13 32.69 1lkn s GLU 6 CO -0.11 -0.25 0.28 0.15 -0.49 0.00 0.00 175.26 174.83 1lkn s LYS 7 N -1.85 2.23 0.04 1.61 3.01 -1.26 -0.74 119.74 122.78 1lkn s LYS 7 Ca -0.09 -1.82 -0.35 0.00 -1.01 0.00 0.00 55.97 52.69 1lkn s LYS 7 Cb -0.03 -3.74 -0.14 0.00 -1.01 0.00 0.00 37.83 32.92 1lkn s LYS 7 CO 0.02 -1.13 1.66 -0.35 0.51 0.00 0.00 175.35 176.05 1lkn n PRO 8 N 4.69 1.94 -3.17 -1.68 -0.04 -1.26 -4.98 135.00 130.50 1lkn n PRO 8 Ca -0.04 0.70 -0.29 0.00 -0.04 0.00 0.00 63.50 63.83 1lkn n PRO 8 Cb 0.41 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 1lkn n PRO 8 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1lkn s THR 9 N 2.07 4.95 0.50 0.52 -1.32 -1.26 -4.75 115.64 116.36 1lkn s THR 9 Ca 0.86 0.21 0.44 0.00 -1.21 0.00 0.00 61.69 61.99 1lkn s THR 9 Cb -0.75 -3.74 0.65 0.00 -1.51 0.00 0.00 72.50 67.15 1lkn s THR 9 CO 0.46 -0.41 1.47 -2.65 -2.21 0.00 0.00 174.62 171.28 1lkn n PRO 10 N -1.12 -0.01 -0.03 7.08 -0.01 -1.26 0.10 135.00 139.75 1lkn n PRO 10 Ca -0.01 1.06 -0.13 0.00 -0.01 0.00 0.00 63.50 64.41 1lkn n PRO 10 Cb 0.54 -2.36 -0.08 0.00 -0.01 0.00 0.00 33.50 31.59 1lkn n PRO 10 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1lkn h GLU 11 N 0.00 0.18 0.00 -0.52 5.08 -2.01 -2.83 114.58 114.48 1lkn h GLU 11 Ca 0.88 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.99 1lkn h GLU 11 Cb 3.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 32.62 1lkn h GLU 11 CO -0.10 0.60 -0.74 0.87 -1.00 0.00 0.00 179.01 178.63 1lkn h LYS 12 N -0.23 0.00 -0.05 2.33 1.57 0.30 -3.15 116.57 117.34 1lkn h LYS 12 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1lkn h LYS 12 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1lkn h LYS 12 CO 0.02 0.74 0.03 -0.07 -0.57 0.00 0.00 179.45 179.60 1lkn h LEU 13 N 0.00 0.06 -0.01 2.94 3.38 -0.15 0.53 115.31 122.05 1lkn h LEU 13 Ca -0.01 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1lkn h LEU 13 Cb 1.35 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1lkn h LEU 13 CO 0.10 0.05 -0.04 0.11 0.09 0.00 0.00 178.44 178.75 1lkn h LYS 14 N 0.07 -0.06 0.00 1.13 1.57 -1.45 1.30 116.57 119.12 1lkn h LYS 14 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1lkn h LYS 14 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1lkn h LYS 14 CO -0.00 -0.04 -0.79 1.49 -0.57 0.00 0.00 179.45 179.54 1lkn h GLU 15 N -0.06 0.00 -0.65 3.15 4.57 -1.62 -3.18 114.58 116.78 1lkn h GLU 15 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1lkn h GLU 15 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1lkn h GLU 15 CO -0.05 0.72 0.00 1.28 -1.18 0.00 0.00 179.01 179.78 1lkn n LEU 16 N -3.27 3.82 -1.64 1.64 4.77 0.18 -4.98 117.00 117.53 1lkn n LEU 16 Ca 0.00 -1.93 -0.11 0.00 -0.03 0.00 0.00 56.01 53.94 1lkn n LEU 16 Cb 0.84 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1lkn n LEU 16 CO 0.44 0.56 0.78 -1.20 -1.33 0.00 0.00 177.39 176.64 1lkn n SER 17 N 0.59 -0.25 -1.84 -1.43 7.64 0.44 -4.73 113.62 114.05 1lkn n SER 17 Ca 0.18 -0.08 -0.17 0.00 1.01 0.00 0.00 58.87 59.82 1lkn n SER 17 Cb 0.77 -0.26 0.09 0.00 -1.01 0.00 0.00 64.21 63.80 1lkn n SER 17 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1lkn n VAL 18 N 2.33 2.57 0.11 0.44 0.31 -1.26 -3.79 118.33 119.04 1lkn n VAL 18 Ca 0.24 -1.46 0.04 0.00 -0.01 0.00 0.00 64.34 63.16 1lkn n VAL 18 Cb 0.03 -0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.99 1lkn n VAL 18 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1lkn n GLU 19 N -0.29 1.46 0.00 5.55 0.28 -1.26 -4.50 120.64 121.89 1lkn n GLU 19 Ca 0.37 -0.05 0.12 0.00 -0.16 0.00 0.00 57.16 57.43 1lkn n GLU 19 Cb 0.98 -1.11 0.16 0.00 1.43 0.00 0.00 31.44 32.90 1lkn n GLU 19 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1lkn n LYS 20 N -1.62 0.13 -2.48 3.44 5.02 -1.25 -4.94 118.16 116.47 1lkn n LYS 20 Ca -0.01 -0.08 -0.24 0.00 -2.02 0.00 0.00 58.31 55.96 1lkn n LYS 20 Cb 0.19 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.80 1lkn n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1lkn s TRP 21 N -2.93 2.05 0.35 2.13 0.51 -1.26 -5.09 118.94 114.70 1lkn s TRP 21 Ca 0.12 -0.06 -0.14 0.00 -2.12 0.00 0.00 56.10 53.90 1lkn s TRP 21 Cb 0.17 -3.08 -0.08 0.00 -0.81 0.00 0.00 33.47 29.68 1lkn s TRP 21 CO 0.72 -1.58 0.75 -1.25 -0.51 0.00 0.00 176.95 175.09 1lkn s PRO 22 N -5.15 3.93 0.06 4.98 0.04 -1.26 -4.88 135.00 132.72 1lkn s PRO 22 Ca 0.64 0.61 0.04 0.00 0.04 0.00 0.00 61.00 62.33 1lkn s PRO 22 Cb -0.07 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1lkn s PRO 22 CO 0.44 0.08 0.00 -1.50 0.04 0.00 0.00 177.00 176.06 1lkn s ILE 23 N -2.13 4.07 0.20 0.56 2.07 -1.26 -2.31 121.20 122.40 1lkn s ILE 23 Ca 0.53 -0.87 0.10 0.00 -1.41 0.00 0.00 60.65 59.01 1lkn s ILE 23 Cb -0.10 -2.90 -0.04 0.00 0.13 0.00 0.00 42.46 39.54 1lkn s ILE 23 CO 0.22 0.20 -0.20 0.86 -1.91 0.00 0.00 174.94 174.11 1lkn s TRP 24 N -1.24 2.07 -0.09 3.50 -0.00 -0.10 -4.97 118.94 118.11 1lkn s TRP 24 Ca 0.24 -0.41 0.02 0.00 -0.00 0.00 0.00 56.10 55.95 1lkn s TRP 24 Cb -0.12 -0.99 0.01 0.00 -0.00 0.00 0.00 33.47 32.37 1lkn s TRP 24 CO 0.16 0.48 -0.16 -1.21 -0.00 0.00 0.00 176.95 176.22 1lkn s GLU 25 N -2.99 2.14 -0.07 5.86 2.02 -1.26 -3.07 118.70 121.33 1lkn s GLU 25 Ca 0.21 -0.55 -0.03 0.00 0.02 0.00 0.00 54.97 54.62 1lkn s GLU 25 Cb -0.06 -1.74 0.04 0.00 0.10 0.00 0.00 34.13 32.48 1lkn s GLU 25 CO 0.10 0.03 0.16 0.21 0.02 0.00 0.00 175.26 175.78 1lkn s LYS 26 N 0.69 0.09 0.57 1.61 2.47 0.42 -5.01 119.74 120.58 1lkn s LYS 26 Ca -0.13 0.42 -0.08 0.00 -1.56 0.00 0.00 55.97 54.62 1lkn s LYS 26 Cb -0.16 -0.19 -0.03 0.00 -1.46 0.00 0.00 37.83 35.98 1lkn s LYS 26 CO 0.03 -0.19 0.93 -1.83 0.16 0.00 0.00 175.35 174.44 1lkn s GLU 27 N 1.41 3.51 0.00 4.03 -1.05 -1.26 0.49 118.70 125.83 1lkn s GLU 27 Ca -0.07 0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 55.20 1lkn s GLU 27 Cb -0.12 -2.21 -0.03 0.00 -0.44 0.00 0.00 34.13 31.33 1lkn s GLU 27 CO -0.06 -0.45 0.90 0.28 0.95 0.00 0.00 175.26 176.88 1lkn n VAL 28 N -2.55 0.00 -1.28 1.83 0.31 -1.26 -4.75 118.33 110.63 1lkn n VAL 28 Ca 0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1lkn n VAL 28 Cb 0.55 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 4.97 0.00 -3.73 4.52 2.88 -1.26 -4.81 113.62 116.20 1lkn n SER 29 Ca 0.04 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.44 1lkn n SER 29 Cb 0.04 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.36 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 2.24 0.07 -0.06 -1.46 8.01 -1.26 -2.13 118.70 124.11 1lkn s GLU 30 Ca 0.00 0.41 0.04 0.00 0.01 0.00 0.00 54.97 55.43 1lkn s GLU 30 Cb 0.00 -0.21 -0.00 0.00 -4.31 0.00 0.00 34.13 29.61 1lkn s GLU 30 CO 0.00 -0.20 -0.19 -0.06 0.01 0.00 0.00 175.26 174.81 1lkn s PHE 31 N 1.45 2.00 -0.67 1.61 0.40 0.45 -4.97 117.98 118.25 1lkn s PHE 31 Ca -0.06 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.56 1lkn s PHE 31 Cb -0.12 -1.35 0.17 0.00 0.51 0.00 0.00 43.02 42.24 1lkn s PHE 31 CO -0.06 -0.25 0.51 0.34 0.70 0.00 0.00 175.22 176.46 1lkn s ASP 32 N 0.15 5.48 0.27 1.36 -1.08 -1.26 0.11 116.67 121.71 1lkn s ASP 32 Ca -0.09 -2.89 0.10 0.00 -0.52 0.00 0.00 52.55 49.15 1lkn s ASP 32 Cb -0.14 -1.91 -0.04 0.00 -1.46 0.00 0.00 42.92 39.37 1lkn s ASP 32 CO 0.04 -0.38 -0.05 0.86 0.52 0.00 0.00 175.17 176.16 1lkn s TRP 33 N -0.12 2.59 -0.02 -5.34 -0.00 -1.21 -4.98 118.94 109.87 1lkn s TRP 33 Ca 0.18 -0.25 0.06 0.00 -0.00 0.00 0.00 56.10 56.09 1lkn s TRP 33 Cb -0.18 -1.15 -0.02 0.00 -0.00 0.00 0.00 33.47 32.12 1lkn s TRP 33 CO -0.04 0.64 -0.21 -0.47 -0.00 0.00 0.00 176.95 176.87 1lkn s TYR 34 N -2.37 1.85 0.71 5.86 5.04 -1.26 -1.97 117.35 125.20 1lkn s TYR 34 Ca 0.31 -0.36 -0.11 0.00 -2.44 0.00 0.00 57.07 54.47 1lkn s TYR 34 Cb -0.06 -1.19 0.02 0.00 0.35 0.00 0.00 41.96 41.07 1lkn s TYR 34 CO 0.19 -0.04 1.08 0.71 -1.34 0.00 0.00 175.55 176.15 1lkn s TYR 35 N -0.45 3.27 0.00 4.97 2.02 -0.73 -4.95 117.35 121.48 1lkn s TYR 35 Ca 0.07 1.13 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 1lkn s TYR 35 Cb -0.08 -3.01 0.00 0.00 -0.40 0.00 0.00 41.96 38.46 1lkn s TYR 35 CO -0.01 -1.21 0.87 -3.47 -1.57 0.00 0.00 175.55 170.16 1lkn n ASP 36 N -3.05 -0.82 0.00 2.29 -0.08 -1.26 -3.21 116.55 110.42 1lkn n ASP 36 Ca 0.07 -1.74 0.00 0.00 -1.51 0.00 0.00 54.79 51.61 1lkn n ASP 36 Cb 0.56 0.25 0.00 0.00 2.34 0.00 0.00 41.12 44.27 1lkn n ASP 36 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1lkn n THR 37 N 0.00 0.00 -2.71 5.18 5.66 -1.26 -4.85 114.28 116.30 1lkn n THR 37 Ca -0.23 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.34 1lkn n THR 37 Cb 0.64 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.39 1lkn n THR 37 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1lkn s ASN 38 N 0.00 6.63 0.08 1.09 3.04 -1.26 -3.92 114.94 120.61 1lkn s ASN 38 Ca 0.00 0.44 0.08 0.00 0.04 0.00 0.00 52.86 53.42 1lkn s ASN 38 Cb 0.00 -2.50 -0.03 0.00 -1.54 0.00 0.00 41.25 37.17 1lkn s ASN 38 CO 0.00 -1.08 -0.21 -0.70 -3.04 0.00 0.00 177.10 172.07 1lkn s GLU 39 N 3.99 1.18 -0.13 0.43 2.12 -1.25 -1.97 118.70 123.07 1lkn s GLU 39 Ca 0.43 -1.09 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 1lkn s GLU 39 Cb -0.09 -1.39 0.05 0.00 0.26 0.00 0.00 34.13 32.95 1lkn s GLU 39 CO 0.26 0.33 0.05 0.99 -0.54 0.00 0.00 175.26 176.36 1lkn s THR 40 N -1.06 0.13 0.28 -1.70 2.01 -0.93 -3.48 115.64 110.89 1lkn s THR 40 Ca 0.06 -0.05 0.11 0.00 0.31 0.00 0.00 61.69 62.12 1lkn s THR 40 Cb -0.10 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1lkn s THR 40 CO 0.03 -0.05 -0.11 0.00 -0.69 0.00 0.00 174.62 173.80 1lkn s TYR 42 N -2.44 1.52 0.31 0.00 5.04 -0.53 -3.35 117.35 117.89 1lkn s TYR 42 Ca 0.31 -0.64 -0.27 0.00 -2.44 0.00 0.00 57.07 54.03 1lkn s TYR 42 Cb -0.05 -1.16 -0.10 0.00 0.35 0.00 0.00 41.96 41.01 1lkn s TYR 42 CO 0.17 -0.37 0.96 0.42 -1.34 0.00 0.00 175.55 175.39 1lkn s ILE 43 N 1.01 4.13 -0.02 3.14 1.01 0.32 0.17 121.20 130.96 1lkn s ILE 43 Ca -0.08 1.82 0.04 0.00 0.00 0.00 0.00 60.65 62.43 1lkn s ILE 43 Cb -0.15 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1lkn s ILE 43 CO -0.01 0.20 0.09 -0.11 0.00 0.00 0.00 174.94 175.11 1lkn n LEU 44 N 0.68 0.02 0.00 2.97 7.94 0.43 -0.59 117.00 128.45 1lkn n LEU 44 Ca 0.01 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1lkn n LEU 44 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1lkn n LEU 44 CO 0.46 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 174.90 1lkn n GLU 45 N -1.57 0.00 -3.12 1.96 0.28 -1.16 -4.51 120.64 112.53 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 0.09 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.96 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 -2.03 2.92 -1.84 0.00 -1.24 -1.99 105.19 101.02 1lkn n GLY 46 Ca 0.00 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.79 0.09 -0.00 1.61 2.20 -1.25 -1.84 119.74 118.76 1lkn s LYS 47 Ca 0.00 0.59 0.05 0.00 -0.36 0.00 0.00 55.97 56.25 1lkn s LYS 47 Cb 0.00 -0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.14 1lkn s LYS 47 CO 0.00 -0.27 -0.15 0.08 -0.36 0.00 0.00 175.35 174.65 1lkn s VAL 48 N 2.09 1.21 -0.27 4.02 1.01 -1.07 0.92 120.40 128.31 1lkn s VAL 48 Ca -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1lkn s VAL 48 Cb -0.12 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1lkn s VAL 48 CO -0.07 0.29 -0.03 -1.61 0.00 0.00 0.00 175.10 173.68 1lkn s GLU 49 N -0.50 2.69 -0.14 2.72 2.02 -0.90 -2.79 118.70 121.79 1lkn s GLU 49 Ca 0.05 -1.08 -0.07 0.00 0.02 0.00 0.00 54.97 53.89 1lkn s GLU 49 Cb -0.06 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1lkn s GLU 49 CO -0.00 -0.49 0.10 0.08 0.02 0.00 0.00 175.26 174.97 1lkn s VAL 50 N 1.31 5.16 -0.17 2.63 1.01 -0.12 -2.70 120.40 127.51 1lkn s VAL 50 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1lkn s VAL 50 Cb -0.18 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.97 1lkn s VAL 50 CO -0.03 0.55 -0.08 -0.89 0.00 0.00 0.00 175.10 174.65 1lkn s THR 51 N -0.45 1.34 0.61 3.92 2.01 -0.08 -0.49 115.64 122.50 1lkn s THR 51 Ca 0.11 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1lkn s THR 51 Cb -0.12 -1.45 -0.00 0.00 0.01 0.00 0.00 72.50 70.94 1lkn s THR 51 CO 0.02 0.18 0.97 0.42 -0.69 0.00 0.00 174.62 175.52 1lkn s THR 52 N 1.54 3.97 0.12 -0.82 -4.23 -0.85 -1.45 115.64 113.92 1lkn s THR 52 Ca 0.01 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 1lkn s THR 52 Cb -0.15 -3.59 -0.08 0.00 1.34 0.00 0.00 72.50 70.02 1lkn s THR 52 CO -0.08 -0.69 1.42 -0.08 -0.54 0.00 0.00 174.62 174.65 1lkn h GLU 53 N -0.29 0.86 -0.41 3.99 4.57 -1.77 -2.96 114.58 118.57 1lkn h GLU 53 Ca -0.45 -0.50 0.11 0.00 -1.18 0.00 0.00 59.36 57.33 1lkn h GLU 53 Cb 1.24 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1lkn h GLU 53 CO 0.62 1.14 0.29 0.22 -1.18 0.00 0.00 179.01 180.11 1lkn h ASP 54 N 0.65 0.05 0.00 1.04 1.82 -1.95 -3.45 116.42 114.58 1lkn h ASP 54 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1lkn h ASP 54 Cb 1.05 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.05 1lkn h ASP 54 CO 0.10 0.03 0.00 0.61 -1.61 0.00 0.00 179.24 178.37 1lkn n GLY 55 N -1.60 2.00 2.70 -0.78 0.00 -1.12 -5.15 105.19 101.24 1lkn n GLY 55 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.01 0.77 -3.63 1.61 5.02 -1.25 -4.92 118.16 115.74 1lkn n LYS 56 Ca 0.00 -2.22 -0.15 0.00 -2.02 0.00 0.00 58.31 53.92 1lkn n LYS 56 Cb 0.00 -0.07 -0.07 0.00 -0.02 0.00 0.00 35.03 34.87 1lkn n LYS 56 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1lkn s LYS 57 N -3.77 0.83 -0.16 1.97 2.20 -1.26 -2.01 119.74 117.54 1lkn s LYS 57 Ca 0.38 0.37 -0.03 0.00 -0.36 0.00 0.00 55.97 56.32 1lkn s LYS 57 Cb -0.03 0.39 0.05 0.00 -1.51 0.00 0.00 37.83 36.74 1lkn s LYS 57 CO 0.24 -0.20 0.05 0.71 -0.36 0.00 0.00 175.35 175.79 1lkn s TYR 58 N -0.65 0.63 -0.30 4.03 2.02 0.35 -4.97 117.35 118.46 1lkn s TYR 58 Ca -0.07 -0.51 -0.08 0.00 -0.37 0.00 0.00 57.07 56.03 1lkn s TYR 58 Cb -0.03 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.69 1lkn s TYR 58 CO 0.05 -0.52 0.11 0.54 -1.57 0.00 0.00 175.55 174.17 1lkn s VAL 59 N 1.99 4.26 -0.00 0.71 0.11 -1.26 -0.94 120.40 125.26 1lkn s VAL 59 Ca 0.01 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.56 1lkn s VAL 59 Cb -0.16 -3.18 -0.01 0.00 -1.53 0.00 0.00 36.38 31.50 1lkn s VAL 59 CO -0.08 0.08 -0.16 0.27 -3.33 0.00 0.00 175.10 171.88 1lkn s ILE 60 N 1.55 1.30 -0.00 7.04 -5.25 -1.12 -5.01 121.20 119.71 1lkn s ILE 60 Ca 0.04 -0.76 -0.03 0.00 -0.99 0.00 0.00 60.65 58.91 1lkn s ILE 60 Cb -0.17 -1.09 -0.01 0.00 2.95 0.00 0.00 42.46 44.14 1lkn s ILE 60 CO 0.04 0.32 0.05 -0.70 -1.79 0.00 0.00 174.94 172.86 1lkn s GLU 61 N -0.51 0.28 0.00 0.37 2.12 -1.26 -2.58 118.70 117.12 1lkn s GLU 61 Ca 0.06 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1lkn s GLU 61 Cb -0.07 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1lkn s GLU 61 CO -0.00 -0.05 0.00 1.17 -0.54 0.00 0.00 175.26 175.83 1lkn n LYS 62 N 2.05 0.00 -2.86 4.30 3.00 -0.77 -3.88 118.16 120.00 1lkn n LYS 62 Ca -0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.01 1lkn n LYS 62 Cb 0.57 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.65 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 1.18 -0.16 3.11 3.14 0.00 0.24 -4.94 105.19 107.77 1lkn n GLY 63 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.74 0.94 0.01 1.61 -1.08 -1.20 -4.14 116.67 109.07 1lkn s ASP 64 Ca 0.07 -0.79 0.00 0.00 -0.52 0.00 0.00 52.55 51.31 1lkn s ASP 64 Cb -0.01 0.08 -0.01 0.00 -1.46 0.00 0.00 42.92 41.52 1lkn s ASP 64 CO 0.47 -0.35 -0.02 -1.48 0.52 0.00 0.00 175.17 174.31 1lkn s LEU 65 N -2.33 2.13 0.06 -1.34 2.34 0.08 0.12 118.68 119.73 1lkn s LEU 65 Ca 0.01 -0.27 0.04 0.00 0.06 0.00 0.00 54.13 53.97 1lkn s LEU 65 Cb -0.02 0.01 -0.03 0.00 -0.56 0.00 0.00 46.19 45.59 1lkn s LEU 65 CO -0.03 -0.14 -0.11 -0.69 -1.06 0.00 0.00 176.35 174.32 1lkn s VAL 66 N -0.76 0.84 -0.15 1.48 1.01 -1.21 -2.93 120.40 118.68 1lkn s VAL 66 Ca -0.08 -1.24 -0.08 0.00 0.00 0.00 0.00 61.98 60.59 1lkn s VAL 66 Cb -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1lkn s VAL 66 CO -0.00 -0.33 0.12 -0.89 0.00 0.00 0.00 175.10 174.00 1lkn s THR 67 N -1.43 5.34 -0.01 3.92 2.01 -1.25 -4.01 115.64 120.20 1lkn s THR 67 Ca -0.05 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1lkn s THR 67 Cb -0.09 -3.36 -0.00 0.00 0.01 0.00 0.00 72.50 69.05 1lkn s THR 67 CO 0.01 0.55 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.05 1lkn s PHE 68 N -0.48 0.82 0.28 4.92 0.40 -1.23 -3.80 117.98 118.90 1lkn s PHE 68 Ca 0.12 -0.18 -0.19 0.00 -0.60 0.00 0.00 56.93 56.09 1lkn s PHE 68 Cb -0.12 -0.56 -0.09 0.00 0.51 0.00 0.00 43.02 42.76 1lkn s PHE 68 CO 0.02 -0.05 0.76 -1.25 0.70 0.00 0.00 175.22 175.40 1lkn s PRO 69 N -0.01 4.19 0.35 0.24 0.04 -1.26 -3.89 135.00 134.65 1lkn s PRO 69 Ca 0.00 0.85 -0.27 0.00 0.04 0.00 0.00 61.00 61.63 1lkn s PRO 69 Cb -0.06 -2.66 -0.12 0.00 0.04 0.00 0.00 34.50 31.70 1lkn s PRO 69 CO -0.00 0.27 1.11 1.17 0.04 0.00 0.00 177.00 179.59 1lkn n LYS 70 N 0.22 1.64 0.00 4.56 4.81 -1.25 -1.39 118.16 126.74 1lkn n LYS 70 Ca 0.01 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1lkn n LYS 70 Cb 0.52 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.49 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 1.04 3.15 3.50 3.14 0.00 -1.20 -4.87 105.19 109.96 1lkn n GLY 71 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 1.05 -4.58 0.99 7.94 -0.49 -3.89 117.00 118.02 1lkn n LEU 72 Ca 0.00 0.02 -0.42 0.00 -1.11 0.00 0.00 56.01 54.50 1lkn n LEU 72 Cb 0.00 -1.14 -0.06 0.00 0.53 0.00 0.00 43.42 42.75 1lkn n LEU 72 CO 0.00 -0.98 0.44 -0.60 -1.11 0.00 0.00 177.39 175.14 1lkn s ARG 73 N 8.43 3.73 -0.15 1.96 3.52 -1.26 -1.78 118.95 133.40 1lkn s ARG 73 Ca 1.22 0.16 -0.12 0.00 -0.13 0.00 0.00 55.73 56.86 1lkn s ARG 73 Cb -0.92 -3.80 0.04 0.00 -1.56 0.00 0.00 34.95 28.71 1lkn s ARG 73 CO 0.43 -0.74 0.39 0.00 -0.81 0.00 0.00 175.30 174.57 1lkn s ARG 75 N 0.53 4.42 0.01 0.00 6.06 -0.53 -3.32 118.95 126.11 1lkn s ARG 75 Ca -0.03 0.95 0.01 0.00 -2.50 0.00 0.00 55.73 54.16 1lkn s ARG 75 Cb -0.04 -3.31 -0.01 0.00 0.06 0.00 0.00 34.95 31.65 1lkn s ARG 75 CO -0.03 0.43 -0.04 1.67 -2.50 0.00 0.00 175.30 174.83 1lkn s TRP 76 N -0.53 0.36 -0.06 5.12 1.48 0.31 -0.90 118.94 124.72 1lkn s TRP 76 Ca 0.34 -0.18 0.01 0.00 -1.06 0.00 0.00 56.10 55.22 1lkn s TRP 76 Cb -0.20 -0.23 0.02 0.00 -1.16 0.00 0.00 33.47 31.90 1lkn s TRP 76 CO 0.22 -0.04 -0.07 -1.59 -4.06 0.00 0.00 176.95 171.41 1lkn s LYS 77 N -0.46 1.18 0.04 3.25 -2.85 -1.10 0.17 119.74 119.97 1lkn s LYS 77 Ca -0.02 -0.21 -0.25 0.00 -1.00 0.00 0.00 55.97 54.49 1lkn s LYS 77 Cb -0.04 -1.13 -0.05 0.00 -2.06 0.00 0.00 37.83 34.55 1lkn s LYS 77 CO -0.00 -0.09 0.79 0.08 0.10 0.00 0.00 175.35 176.23 1lkn s VAL 78 N 1.03 4.74 -0.04 1.79 1.01 -0.90 -2.12 120.40 125.90 1lkn s VAL 78 Ca -0.09 1.67 0.11 0.00 0.00 0.00 0.00 61.98 63.68 1lkn s VAL 78 Cb -0.14 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 1lkn s VAL 78 CO -0.00 0.34 0.68 -0.07 0.00 0.00 0.00 175.10 176.05 1lkn h LEU 79 N 5.78 0.02 -8.07 3.92 3.38 0.23 -3.35 115.31 117.23 1lkn h LEU 79 Ca -0.43 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 1lkn h LEU 79 Cb 1.21 -0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 1lkn h LEU 79 CO 0.71 1.05 -0.64 -1.61 0.09 0.00 0.00 178.44 178.04 1lkn s GLU 80 N -2.60 0.53 -0.45 1.13 0.41 -1.24 -4.84 118.70 111.63 1lkn s GLU 80 Ca -0.05 -0.92 -0.42 0.00 -0.41 0.00 0.00 54.97 53.16 1lkn s GLU 80 Cb 0.08 0.19 -0.18 0.00 -1.78 0.00 0.00 34.13 32.44 1lkn s GLU 80 CO 0.82 -0.11 1.55 -2.30 -0.49 0.00 0.00 175.26 174.74 1lkn n PRO 81 N 0.69 0.00 -4.33 0.39 -0.02 -1.26 -3.74 135.00 126.72 1lkn n PRO 81 Ca -0.18 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.95 1lkn n PRO 81 Cb 0.59 -1.36 -0.10 0.00 -0.02 0.00 0.00 33.50 32.60 1lkn n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lkn s VAL 82 N 3.29 4.27 -0.10 -1.45 1.01 0.18 -3.59 120.40 124.01 1lkn s VAL 82 Ca 0.98 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 1lkn s VAL 82 Cb -1.36 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1lkn s VAL 82 CO 0.71 0.56 0.03 -0.13 0.00 0.00 0.00 175.10 176.28 1lkn s ARG 83 N -0.42 0.40 0.09 2.72 1.81 -0.84 -0.43 118.95 122.28 1lkn s ARG 83 Ca 0.08 0.04 0.02 0.00 -1.72 0.00 0.00 55.73 54.15 1lkn s ARG 83 Cb -0.12 -1.21 -0.04 0.00 -0.45 0.00 0.00 34.95 33.13 1lkn s ARG 83 CO 0.02 -0.42 -0.08 -1.59 -0.68 0.00 0.00 175.30 172.55 1lkn s LYS 84 N 2.01 0.81 0.35 3.54 -2.85 -1.17 0.16 119.74 122.60 1lkn s LYS 84 Ca 0.03 -1.23 0.05 0.00 -1.00 0.00 0.00 55.97 53.82 1lkn s LYS 84 Cb -0.14 -0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.31 1lkn s LYS 84 CO -0.06 0.02 0.51 -1.01 0.10 0.00 0.00 175.35 174.91 1lkn s HIS 85 N -3.05 3.18 0.12 1.78 3.76 0.45 -0.93 115.29 120.61 1lkn s HIS 85 Ca 0.08 -0.08 0.10 0.00 -0.15 0.00 0.00 55.06 55.01 1lkn s HIS 85 Cb 0.01 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1lkn s HIS 85 CO -0.03 -0.04 -0.25 0.71 -0.85 0.00 0.00 174.74 174.28 1lkn s TYR 86 N -2.24 2.36 -0.42 1.40 2.02 -0.98 -1.46 117.35 118.04 1lkn s TYR 86 Ca 0.44 -0.36 0.09 0.00 -0.37 0.00 0.00 57.07 56.87 1lkn s TYR 86 Cb -0.10 -1.29 0.32 0.00 -0.40 0.00 0.00 41.96 40.50 1lkn s TYR 86 CO 0.32 0.32 0.89 -1.71 -1.57 0.00 0.00 175.55 173.81 1lkn n ASN 87 N 0.99 -0.88 -4.84 2.29 5.15 0.14 -4.49 115.26 113.63 1lkn n ASN 87 Ca -0.17 -3.30 -0.34 0.00 -0.60 0.00 0.00 54.58 50.17 1lkn n ASN 87 Cb 0.53 0.66 -0.06 0.00 -0.53 0.00 0.00 39.78 40.38 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 -2.12 4.17 0.00 1.20 2.01 -1.26 -2.19 118.68 120.50 1lkn s LEU 88 Ca 0.31 1.26 0.24 0.00 0.01 0.00 0.00 54.13 55.96 1lkn s LEU 88 Cb 0.30 -3.83 0.19 0.00 0.01 0.00 0.00 46.19 42.85 1lkn s LEU 88 CO -0.08 -0.10 1.26 0.49 1.01 0.00 0.00 176.35 178.92