#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8i n GLY 2 N 0.00 0.87 0.00 7.63 0.00 -1.26 -5.00 105.19 107.42 1j8i n GLY 2 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1j8i n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j8i n SER 3 N 0.00 0.52 -3.37 1.61 7.64 -1.26 -5.10 113.62 113.65 1j8i n SER 3 Ca 0.00 -0.77 -0.14 0.00 1.01 0.00 0.00 58.87 58.98 1j8i n SER 3 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1j8i n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j8i n GLU 4 N -0.57 -1.50 -0.67 1.43 4.71 -1.26 -4.81 120.64 117.98 1j8i n GLU 4 Ca 0.00 -0.65 0.09 0.00 -0.01 0.00 0.00 57.16 56.59 1j8i n GLU 4 Cb 0.00 -1.21 -0.02 0.00 -1.01 0.00 0.00 31.44 29.19 1j8i n GLU 4 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1j8i n VAL 5 N -4.19 0.00 0.00 2.62 3.14 -1.26 -4.90 118.33 113.74 1j8i n VAL 5 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1j8i n VAL 5 Cb 0.27 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 1j8i n VAL 5 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1j8i n SER 6 N -2.50 0.00 -0.07 6.55 2.88 -1.26 -4.64 113.62 114.59 1j8i n SER 6 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 1j8i n SER 6 Cb 0.31 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.69 1j8i n SER 6 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1j8i n ASP 7 N 0.23 2.60 0.00 -3.46 9.92 -1.26 -4.51 116.55 120.07 1j8i n ASP 7 Ca 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1j8i n ASP 7 Cb 0.00 0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1j8i n ASP 7 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1j8i n LYS 8 N -2.77 0.00 0.02 -1.24 4.76 -1.26 -3.09 118.16 114.58 1j8i n LYS 8 Ca -0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 1j8i n LYS 8 Cb 0.81 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.00 1j8i n LYS 8 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1j8i n ARG 9 N 0.00 0.00 0.00 1.97 3.00 -1.26 -5.04 116.66 115.33 1j8i n ARG 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1j8i n ARG 9 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 32.42 1j8i n ARG 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1j8i n THR 10 N -2.65 0.00 -3.66 5.15 -1.04 -1.18 -5.11 114.28 105.79 1j8i n THR 10 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1j8i n THR 10 Cb 0.00 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1j8i n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j8i n VAL 12 N -1.09 0.00 -3.12 0.00 0.31 -1.26 -4.32 118.33 108.86 1j8i n VAL 12 Ca -0.01 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1j8i n VAL 12 Cb 0.28 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1j8i n VAL 12 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1j8i n SER 13 N -1.58 1.57 -4.24 4.52 2.88 -1.26 -4.93 113.62 110.58 1j8i n SER 13 Ca 0.00 -0.33 -0.41 0.00 -1.33 0.00 0.00 58.87 56.80 1j8i n SER 13 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1j8i n SER 13 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1j8i s LEU 14 N 0.00 5.48 0.00 2.46 1.43 -1.26 -4.37 118.68 122.41 1j8i s LEU 14 Ca 0.00 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.37 1j8i s LEU 14 Cb 0.00 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1j8i s LEU 14 CO 0.00 -0.63 0.00 0.41 0.23 0.00 0.00 176.35 176.36 1j8i n THR 15 N 4.92 0.00 -0.55 5.49 -1.04 -0.72 -4.72 114.28 117.67 1j8i n THR 15 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1j8i n THR 15 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1j8i n THR 15 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1j8i n THR 16 N 0.00 0.00 -3.43 12.58 5.66 -1.26 -4.91 114.28 122.92 1j8i n THR 16 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1j8i n THR 16 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1j8i n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j8i s GLN 17 N -0.04 0.69 -0.96 1.09 -2.07 -1.26 -5.06 119.66 112.05 1j8i s GLN 17 Ca 0.00 -1.64 -0.25 0.00 -1.82 0.00 0.00 55.36 51.65 1j8i s GLN 17 Cb 0.00 -1.33 -0.12 0.00 -1.09 0.00 0.00 33.01 30.47 1j8i s GLN 17 CO 0.00 -1.28 2.13 0.50 -1.32 0.00 0.00 175.29 175.32 1j8i s ARG 18 N 0.67 1.92 0.22 9.60 3.52 -1.26 -4.91 118.95 128.70 1j8i s ARG 18 Ca 0.24 -0.22 -0.27 0.00 -0.13 0.00 0.00 55.73 55.35 1j8i s ARG 18 Cb -0.12 -4.99 -0.09 0.00 -1.56 0.00 0.00 34.95 28.20 1j8i s ARG 18 CO -0.08 -4.31 0.86 -0.51 -0.81 0.00 0.00 175.30 170.44 1j8i s LEU 19 N 13.35 4.56 0.08 -0.88 1.02 -1.26 -5.02 118.68 130.53 1j8i s LEU 19 Ca 0.80 1.77 -0.30 0.00 0.02 0.00 0.00 54.13 56.41 1j8i s LEU 19 Cb -0.07 -3.54 -0.06 0.00 0.02 0.00 0.00 46.19 42.54 1j8i s LEU 19 CO 0.09 0.14 1.16 -2.16 0.02 0.00 0.00 176.35 175.59 1j8i s PRO 20 N -1.36 4.48 0.59 1.29 0.04 -1.26 -4.89 135.00 133.89 1j8i s PRO 20 Ca 0.40 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.46 1j8i s PRO 20 Cb -0.23 -3.34 1.48 0.00 0.04 0.00 0.00 34.50 32.45 1j8i s PRO 20 CO 0.28 -0.17 1.90 -0.24 0.04 0.00 0.00 177.00 178.80 1j8i h VAL 21 N 4.38 0.36 0.00 -0.36 3.04 -1.92 1.04 116.25 122.78 1j8i h VAL 21 Ca -0.42 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.22 1j8i h VAL 21 Cb 1.21 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1j8i h VAL 21 CO 0.79 0.00 -0.23 -1.28 -1.01 0.00 0.00 177.57 175.84 1j8i h SER 22 N 0.00 0.00 0.62 3.17 0.87 -1.97 -2.31 113.55 113.93 1j8i h SER 22 Ca 0.21 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.60 1j8i h SER 22 Cb 1.17 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1j8i h SER 22 CO -0.00 0.23 -1.51 0.54 -0.53 0.00 0.00 176.83 175.56 1j8i n ARG 23 N -4.23 0.63 -2.93 2.24 3.00 0.35 -4.89 116.66 110.82 1j8i n ARG 23 Ca -0.02 0.19 -0.36 0.00 -0.01 0.00 0.00 57.85 57.64 1j8i n ARG 23 Cb 0.28 -1.77 -0.06 0.00 0.00 0.00 0.00 32.46 30.91 1j8i n ARG 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1j8i s ILE 24 N -2.93 4.39 0.00 0.55 1.01 -0.46 -3.00 121.20 120.76 1j8i s ILE 24 Ca -0.04 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1j8i s ILE 24 Cb 0.09 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1j8i s ILE 24 CO 0.82 0.11 0.00 1.17 0.00 0.00 0.00 174.94 177.04 1j8i n LYS 25 N 0.48 0.00 -4.65 2.79 0.00 0.41 -4.82 118.16 112.38 1j8i n LYS 25 Ca 0.01 0.02 -0.29 0.00 0.00 0.00 0.00 58.31 58.05 1j8i n LYS 25 Cb 0.51 -0.21 -0.08 0.00 0.00 0.00 0.00 35.03 35.24 1j8i n LYS 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1j8i s THR 26 N -0.26 1.12 0.09 3.15 -1.32 -0.79 -4.58 115.64 113.05 1j8i s THR 26 Ca 0.00 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.44 1j8i s THR 26 Cb 0.00 -2.38 -0.02 0.00 -1.51 0.00 0.00 72.50 68.58 1j8i s THR 26 CO 0.00 0.00 0.08 -0.72 -2.21 0.00 0.00 174.62 171.77 1j8i s TYR 27 N -2.98 0.44 -0.04 9.09 1.13 -1.26 0.15 117.35 123.88 1j8i s TYR 27 Ca 0.17 -0.91 -0.02 0.00 -1.41 0.00 0.00 57.07 54.91 1j8i s TYR 27 Cb 0.04 -0.26 0.03 0.00 -1.10 0.00 0.00 41.96 40.67 1j8i s TYR 27 CO 0.09 -0.49 0.07 0.99 -2.51 0.00 0.00 175.55 173.71 1j8i s THR 28 N -3.92 -0.10 -0.09 -3.49 2.01 0.31 -4.93 115.64 105.43 1j8i s THR 28 Ca 0.10 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1j8i s THR 28 Cb 0.06 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 1j8i s THR 28 CO -0.08 0.13 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.29 1j8i s ILE 29 N 1.70 3.65 0.35 1.82 1.01 -1.26 0.19 121.20 128.65 1j8i s ILE 29 Ca -0.02 -0.49 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1j8i s ILE 29 Cb -0.12 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1j8i s ILE 29 CO -0.04 0.57 0.43 0.42 0.00 0.00 0.00 174.94 176.33 1j8i s THR 30 N -0.48 3.78 -0.00 2.92 -4.23 -0.88 -4.97 115.64 111.79 1j8i s THR 30 Ca 0.07 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1j8i s THR 30 Cb -0.12 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 1j8i s THR 30 CO 0.02 -0.14 0.04 -0.62 -0.54 0.00 0.00 174.62 173.38 1j8i n GLU 31 N -1.59 0.20 0.00 3.99 4.71 -1.26 -4.03 120.64 122.66 1j8i n GLU 31 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1j8i n GLU 31 Cb 0.59 -1.05 0.00 0.00 -1.01 0.00 0.00 31.44 29.97 1j8i n GLU 31 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j8i n GLY 32 N 2.41 -2.73 0.02 0.62 0.00 -1.26 -4.51 105.19 99.73 1j8i n GLY 32 Ca -0.00 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.15 1j8i n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j8i n SER 33 N -1.45 0.07 -0.07 1.61 7.64 -1.26 -2.10 113.62 118.06 1j8i n SER 33 Ca 0.00 0.53 -0.13 0.00 1.01 0.00 0.00 58.87 60.28 1j8i n SER 33 Cb 0.00 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.56 1j8i n SER 33 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1j8i h LEU 34 N 0.00 0.00 -3.85 -3.43 5.85 -1.94 -3.48 115.31 108.46 1j8i h LEU 34 Ca 0.00 -0.68 -0.52 0.00 0.84 0.00 0.00 57.88 57.52 1j8i h LEU 34 Cb 0.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1j8i h LEU 34 CO 0.00 0.99 -0.93 -1.14 -0.34 0.00 0.00 178.44 177.03 1j8i n ARG 35 N -4.61 -0.50 -4.41 1.25 0.63 -0.89 -4.94 116.66 103.19 1j8i n ARG 35 Ca -0.12 0.12 -0.24 0.00 -0.92 0.00 0.00 57.85 56.69 1j8i n ARG 35 Cb 0.42 -2.04 -0.11 0.00 0.45 0.00 0.00 32.46 31.18 1j8i n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j8i s ALA 36 N -3.53 2.44 -0.28 5.13 0.00 -1.26 -4.58 121.76 119.70 1j8i s ALA 36 Ca 0.36 -1.68 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1j8i s ALA 36 Cb -0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1j8i s ALA 36 CO 0.86 0.32 0.34 0.14 0.00 0.00 0.00 175.76 177.42 1j8i s VAL 37 N -2.08 5.20 -0.16 0.00 -7.23 0.24 -2.06 120.40 114.30 1j8i s VAL 37 Ca 0.22 0.46 -0.11 0.00 -1.81 0.00 0.00 61.98 60.75 1j8i s VAL 37 Cb -0.06 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.16 1j8i s VAL 37 CO 0.10 0.16 0.19 -0.63 -0.31 0.00 0.00 175.10 174.61 1j8i s ILE 38 N 2.01 5.38 -0.21 -0.62 -1.09 0.49 0.14 121.20 127.31 1j8i s ILE 38 Ca 0.13 0.32 -0.01 0.00 -2.23 0.00 0.00 60.65 58.87 1j8i s ILE 38 Cb -0.16 -3.51 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1j8i s ILE 38 CO 0.10 0.47 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.80 1j8i s PHE 39 N 0.03 2.94 -0.21 3.97 0.08 0.32 0.12 117.98 125.23 1j8i s PHE 39 Ca 0.12 -1.53 -0.10 0.00 0.12 0.00 0.00 56.93 55.55 1j8i s PHE 39 Cb -0.12 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.28 1j8i s PHE 39 CO 0.02 -0.74 0.13 0.42 -0.10 0.00 0.00 175.22 174.95 1j8i s ILE 40 N 1.32 5.40 0.37 0.64 1.01 0.40 -0.77 121.20 129.58 1j8i s ILE 40 Ca 0.03 0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.93 1j8i s ILE 40 Cb -0.15 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 1j8i s ILE 40 CO -0.08 0.43 0.52 0.42 0.00 0.00 0.00 174.94 176.22 1j8i s THR 41 N 0.46 3.75 0.53 2.92 -4.23 -0.98 0.16 115.64 118.24 1j8i s THR 41 Ca 0.08 -0.96 0.29 0.00 -1.18 0.00 0.00 61.69 59.92 1j8i s THR 41 Cb -0.11 -3.29 0.33 0.00 1.34 0.00 0.00 72.50 70.77 1j8i s THR 41 CO -0.01 -0.12 2.20 0.11 -0.54 0.00 0.00 174.62 176.25 1j8i h LYS 42 N 0.78 0.00 0.00 3.99 1.57 -1.85 0.17 116.57 121.23 1j8i h LYS 42 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1j8i h LYS 42 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1j8i h LYS 42 CO 0.51 0.04 0.00 -0.09 -0.57 0.00 0.00 179.45 179.34 1j8i h ARG 43 N 0.00 0.00 0.00 3.15 2.43 -1.94 -3.46 114.38 114.56 1j8i h ARG 43 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j8i h ARG 43 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1j8i h ARG 43 CO 0.01 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.88 1j8i n GLY 44 N 0.30 0.51 3.60 2.80 0.00 0.60 -5.04 105.19 107.96 1j8i n GLY 44 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1j8i n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8i s LEU 45 N 0.00 3.75 -0.19 0.99 1.02 -1.26 -4.77 118.68 118.23 1j8i s LEU 45 Ca 0.00 0.46 -0.11 0.00 0.02 0.00 0.00 54.13 54.50 1j8i s LEU 45 Cb 0.00 -3.47 -0.05 0.00 0.02 0.00 0.00 46.19 42.69 1j8i s LEU 45 CO 0.00 -1.16 0.17 -1.59 0.02 0.00 0.00 176.35 173.78 1j8i s LYS 46 N 4.21 4.16 0.18 1.70 -2.85 -1.26 -2.32 119.74 123.56 1j8i s LYS 46 Ca 0.45 -0.14 0.09 0.00 -1.00 0.00 0.00 55.97 55.37 1j8i s LYS 46 Cb -0.08 -3.41 -0.04 0.00 -2.06 0.00 0.00 37.83 32.24 1j8i s LYS 46 CO 0.29 0.31 -0.18 0.54 0.10 0.00 0.00 175.35 176.41 1j8i s VAL 47 N 0.30 1.87 0.10 1.79 0.11 0.05 -4.40 120.40 120.22 1j8i s VAL 47 Ca 0.10 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.18 1j8i s VAL 47 Cb -0.12 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 1j8i s VAL 47 CO -0.00 -0.36 0.11 0.00 -3.33 0.00 0.00 175.10 171.51 1j8i s ALA 49 N -1.49 -0.57 0.01 0.00 0.00 0.37 -1.76 121.76 118.32 1j8i s ALA 49 Ca 0.30 -0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 1j8i s ALA 49 Cb -0.12 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1j8i s ALA 49 CO 0.23 -0.38 0.90 -0.51 0.00 0.00 0.00 175.76 176.00 1j8i s ASP 50 N -2.00 7.29 0.00 0.00 1.01 -1.26 0.82 116.67 122.53 1j8i s ASP 50 Ca -0.06 1.56 0.22 0.00 0.71 0.00 0.00 52.55 54.98 1j8i s ASP 50 Cb -0.01 -2.53 1.32 0.00 1.01 0.00 0.00 42.92 42.70 1j8i s ASP 50 CO -0.03 -0.18 1.71 -0.81 0.21 0.00 0.00 175.17 176.08 1j8i n PRO 51 N 3.62 0.75 0.00 8.23 -0.04 -1.26 -2.51 135.00 143.78 1j8i n PRO 51 Ca 0.03 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.63 1j8i n PRO 51 Cb 0.51 -1.46 0.64 0.00 -0.04 0.00 0.00 33.50 33.14 1j8i n PRO 51 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1j8i n GLN 52 N -0.96 0.25 -3.05 0.54 -0.06 -1.26 -4.75 117.38 108.09 1j8i n GLN 52 Ca 0.17 -0.03 -0.40 0.00 -2.00 0.00 0.00 57.00 54.73 1j8i n GLN 52 Cb 0.08 -1.50 -0.05 0.00 -4.06 0.00 0.00 30.24 24.71 1j8i n GLN 52 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j8i s ALA 53 N -2.78 3.43 0.18 1.69 0.00 -1.05 -4.95 121.76 118.29 1j8i s ALA 53 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.08 1j8i s ALA 53 Cb 0.19 -2.99 0.08 0.00 0.00 0.00 0.00 23.12 20.41 1j8i s ALA 53 CO 0.51 -0.31 1.61 1.15 0.00 0.00 0.00 175.76 178.72 1j8i h THR 54 N 4.94 1.27 -0.50 0.00 2.02 -1.91 -0.69 112.91 118.04 1j8i h THR 54 Ca -0.36 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.51 1j8i h THR 54 Cb 1.17 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1j8i h THR 54 CO 0.77 0.45 0.20 4.11 0.37 0.00 0.00 175.52 181.42 1j8i h TRP 55 N 0.86 0.71 -0.10 3.16 5.08 -1.97 0.29 115.95 123.98 1j8i h TRP 55 Ca 0.13 -0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.04 1j8i h TRP 55 Cb 0.69 -0.22 -0.00 0.00 -3.00 0.00 0.00 29.16 26.62 1j8i h TRP 55 CO 0.04 0.55 -0.04 0.28 -1.28 0.00 0.00 178.44 177.99 1j8i h VAL 56 N 0.71 1.32 -0.74 0.12 2.07 -1.77 -0.25 116.25 117.71 1j8i h VAL 56 Ca 0.17 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.71 1j8i h VAL 56 Cb 0.14 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1j8i h VAL 56 CO -0.02 0.30 0.48 0.03 0.02 0.00 0.00 177.57 178.38 1j8i h ARG 57 N -0.15 0.74 -0.21 1.57 3.08 -0.56 0.21 114.38 119.05 1j8i h ARG 57 Ca 0.02 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1j8i h ARG 57 Cb 0.49 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1j8i h ARG 57 CO 0.01 0.49 -0.24 0.22 -1.07 0.00 0.00 179.97 179.38 1j8i h ASP 58 N 0.76 0.58 -0.60 7.04 1.82 -0.77 -2.81 116.42 122.44 1j8i h ASP 58 Ca 0.32 -0.49 -0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1j8i h ASP 58 Cb 0.27 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 1j8i h ASP 58 CO -0.11 0.95 0.37 1.62 -1.61 0.00 0.00 179.24 180.46 1j8i h VAL 59 N 0.21 1.17 -0.93 2.25 3.04 0.11 -1.18 116.25 120.92 1j8i h VAL 59 Ca 0.03 -0.38 0.03 0.00 -1.01 0.00 0.00 66.70 65.38 1j8i h VAL 59 Cb 0.80 0.31 -0.05 0.00 -2.01 0.00 0.00 31.29 30.34 1j8i h VAL 59 CO 0.06 0.18 0.60 0.58 -1.01 0.00 0.00 177.57 177.98 1j8i h VAL 60 N 0.84 1.16 -0.34 1.51 2.07 -0.46 0.90 116.25 121.92 1j8i h VAL 60 Ca 0.22 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1j8i h VAL 60 Cb -0.03 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.60 1j8i h VAL 60 CO -0.04 0.21 0.20 -0.09 0.02 0.00 0.00 177.57 177.87 1j8i h ARG 61 N 1.17 0.40 -0.08 1.57 1.12 -0.98 0.11 114.38 117.69 1j8i h ARG 61 Ca 0.37 -0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 59.06 1j8i h ARG 61 Cb -0.00 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 29.86 1j8i h ARG 61 CO -0.12 0.26 -0.62 1.03 -3.11 0.00 0.00 179.97 177.42 1j8i h SER 62 N 0.41 0.33 0.36 -3.80 0.87 -1.04 -1.71 113.55 108.97 1j8i h SER 62 Ca 0.13 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1j8i h SER 62 Cb -0.00 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1j8i h SER 62 CO -0.06 0.86 -0.17 -0.03 -0.53 0.00 0.00 176.83 176.90 1j8i h MET 63 N 0.21 -0.47 -0.45 2.24 1.85 0.14 0.13 114.93 118.58 1j8i h MET 63 Ca -0.01 0.03 0.10 0.00 -0.61 0.00 0.00 59.70 59.21 1j8i h MET 63 Cb 1.14 0.11 -0.02 0.00 0.43 0.00 0.00 31.60 33.25 1j8i h MET 63 CO 0.10 -0.31 0.32 0.22 -0.40 0.00 0.00 176.91 176.83 1j8i h ASP 64 N -0.53 0.15 0.61 1.39 3.58 -0.90 0.57 116.42 121.29 1j8i h ASP 64 Ca -0.05 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 1j8i h ASP 64 Cb 0.37 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1j8i h ASP 64 CO 0.08 0.09 -0.31 -0.09 -2.88 0.00 0.00 179.24 176.13 1j8i h ARG 65 N 0.17 0.00 0.10 0.28 2.43 -1.12 1.04 114.38 117.27 1j8i h ARG 65 Ca 0.21 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.06 1j8i h ARG 65 Cb 0.63 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1j8i h ARG 65 CO -0.03 0.31 -1.74 -0.22 -1.51 0.00 0.00 179.97 176.78 1j8i h LYS 66 N 0.00 0.22 -0.94 0.20 1.63 0.27 -3.36 116.57 114.60 1j8i h LYS 66 Ca -0.00 -0.38 -0.60 0.00 -0.85 0.00 0.00 60.65 58.82 1j8i h LYS 66 Cb 0.70 0.14 -0.39 0.00 -0.60 0.00 0.00 32.23 32.09 1j8i h LYS 66 CO 0.04 1.05 -0.28 0.45 -3.45 0.00 0.00 179.45 177.25 1j8i n SER 67 N -3.40 5.76 0.04 4.20 2.88 0.11 -4.79 113.62 118.42 1j8i n SER 67 Ca -0.22 -3.76 -0.01 0.00 -1.33 0.00 0.00 58.87 53.54 1j8i n SER 67 Cb 1.05 -0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 1j8i n SER 67 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1j8i h ASN 68 N 2.20 -0.08 -0.99 -3.46 4.21 0.97 0.13 115.58 118.56 1j8i h ASN 68 Ca 0.44 0.00 0.20 0.00 1.21 0.00 0.00 56.30 58.15 1j8i h ASN 68 Cb 1.23 0.02 -0.10 0.00 -1.12 0.00 0.00 38.32 38.35 1j8i h ASN 68 CO 1.02 -0.05 0.62 0.00 -1.29 0.00 0.00 177.43 177.73 1j8i h THR 69 N -0.12 0.67 0.44 2.81 1.03 -1.87 -0.93 112.91 114.95 1j8i h THR 69 Ca -0.01 -0.22 -0.02 0.00 -0.01 0.00 0.00 66.41 66.15 1j8i h THR 69 Cb 0.07 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.13 1j8i h THR 69 CO 0.02 0.12 -0.21 0.03 -0.01 0.00 0.00 175.52 175.46 1j8i h ARG 70 N 0.64 -0.57 -5.80 0.00 -0.00 -1.88 -3.41 114.38 103.37 1j8i h ARG 70 Ca 0.56 0.04 -0.58 0.00 -0.50 0.00 0.00 59.98 59.50 1j8i h ARG 70 Cb 1.04 0.13 0.18 0.00 0.00 0.00 0.00 29.97 31.31 1j8i h ARG 70 CO -0.33 -0.36 -1.14 0.09 0.00 0.00 0.00 179.97 178.22 1j8i n ASN 71 N -5.33 -3.63 0.00 7.04 4.13 0.45 -0.91 115.26 117.00 1j8i n ASN 71 Ca -0.11 0.62 0.00 0.00 1.68 0.00 0.00 54.58 56.77 1j8i n ASN 71 Cb 0.25 -0.82 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 1j8i n ASN 71 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1j8i n ASN 72 N 2.46 0.00 -1.75 6.41 3.02 -1.26 -4.87 115.26 119.28 1j8i n ASN 72 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1j8i n ASN 72 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1j8i n ASN 72 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1j8i n MET 73 N 0.00 -4.78 -1.09 3.52 0.00 -0.09 -5.07 117.12 109.60 1j8i n MET 73 Ca 0.00 3.54 0.00 0.00 -0.00 0.00 0.00 57.70 61.24 1j8i n MET 73 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 33.22 29.22 1j8i n MET 73 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1j8i n ILE 74 N -0.60 0.00 -3.06 1.12 -0.00 -1.26 -5.08 119.36 110.48 1j8i n ILE 74 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 62.75 62.47 1j8i n ILE 74 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 1j8i n ILE 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1j8i n GLN 75 N 0.00 3.14 -2.81 6.28 1.13 -1.26 -4.98 117.38 118.89 1j8i n GLN 75 Ca 0.00 -4.81 -0.03 0.00 -1.94 0.00 0.00 57.00 50.21 1j8i n GLN 75 Cb 0.00 -2.25 -0.03 0.00 0.11 0.00 0.00 30.24 28.07 1j8i n GLN 75 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1j8i n THR 76 N 0.05 -7.89 -0.99 5.09 -1.04 -1.26 -4.85 114.28 103.39 1j8i n THR 76 Ca 0.31 1.62 -0.35 0.00 -2.04 0.00 0.00 64.05 63.59 1j8i n THR 76 Cb 0.39 -4.84 0.07 0.00 -1.82 0.00 0.00 70.33 64.13 1j8i n THR 76 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1j8i n LYS 77 N 2.07 -0.06 -2.49 -2.82 4.76 -1.26 -4.87 118.16 113.49 1j8i n LYS 77 Ca -0.25 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 54.79 1j8i n LYS 77 Cb 0.39 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 1j8i n LYS 77 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1j8i s PRO 78 N -2.59 4.60 0.00 1.97 0.04 -1.26 -4.99 135.00 132.78 1j8i s PRO 78 Ca 0.51 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1j8i s PRO 78 Cb -0.24 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1j8i s PRO 78 CO 0.73 0.11 0.00 -2.37 0.04 0.00 0.00 177.00 175.50 1j8i n THR 79 N 2.02 0.00 -2.97 1.26 5.66 -1.26 -5.06 114.28 113.93 1j8i n THR 79 Ca 0.02 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.66 1j8i n THR 79 Cb 0.46 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.22 1j8i n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j8i n GLY 80 N 0.00 5.48 3.07 1.09 0.00 -1.26 -5.06 105.19 108.52 1j8i n GLY 80 Ca 0.00 -2.69 -0.28 0.00 0.00 0.00 0.00 46.02 43.05 1j8i n GLY 80 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j8i n THR 81 N 0.50 0.00 -4.30 2.61 5.66 -1.26 -5.01 114.28 112.47 1j8i n THR 81 Ca 0.34 -0.11 -0.18 0.00 -3.05 0.00 0.00 64.05 61.05 1j8i n THR 81 Cb 0.34 -0.31 -0.13 0.00 -1.55 0.00 0.00 70.33 68.68 1j8i n THR 81 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1j8i s GLN 82 N -2.80 0.79 -0.10 1.09 -0.21 -1.26 -5.15 119.66 112.03 1j8i s GLN 82 Ca 0.39 -0.62 -0.30 0.00 0.02 0.00 0.00 55.36 54.85 1j8i s GLN 82 Cb -0.01 -0.75 0.11 0.00 1.00 0.00 0.00 33.01 33.36 1j8i s GLN 82 CO 0.52 0.19 0.91 -1.14 -2.12 0.00 0.00 175.29 173.65 1j8i s GLN 83 N -0.93 0.73 0.09 2.91 0.74 -1.26 -5.19 119.66 116.76 1j8i s GLN 83 Ca 0.00 0.05 -0.27 0.00 0.05 0.00 0.00 55.36 55.19 1j8i s GLN 83 Cb -0.07 0.34 0.08 0.00 1.10 0.00 0.00 33.01 34.47 1j8i s GLN 83 CO 0.01 -0.26 1.08 -1.54 -0.55 0.00 0.00 175.29 174.03 1j8i s SER 84 N -1.48 -0.13 0.00 6.67 1.04 -1.26 -5.19 113.70 113.36 1j8i s SER 84 Ca -0.02 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1j8i s SER 84 Cb -0.01 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1j8i s SER 84 CO 0.00 -0.68 0.00 1.07 0.98 0.00 0.00 173.24 174.61 1j8i n THR 85 N -0.48 0.00 0.00 2.02 5.66 -1.26 -5.19 114.28 115.03 1j8i n THR 85 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1j8i n THR 85 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1j8i n THR 85 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1j8i n ASN 86 N -0.11 0.00 -3.00 1.09 2.85 -1.26 -5.19 115.26 109.64 1j8i n ASN 86 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1j8i n ASN 86 Cb 0.00 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 1j8i n ASN 86 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1j8i s THR 87 N -2.00 0.00 -0.33 -0.44 -4.23 -1.26 -5.13 115.64 102.26 1j8i s THR 87 Ca 0.00 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.13 1j8i s THR 87 Cb 0.00 -2.82 0.21 0.00 1.34 0.00 0.00 72.50 71.23 1j8i s THR 87 CO 0.00 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.20 1j8i s ALA 88 N -2.55 -4.67 -0.20 3.99 0.00 -1.26 -5.13 121.76 111.93 1j8i s ALA 88 Ca 0.23 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 53.01 1j8i s ALA 88 Cb -0.03 -3.02 0.09 0.00 0.00 0.00 0.00 23.12 20.17 1j8i s ALA 88 CO 0.16 -2.54 0.22 0.54 0.00 0.00 0.00 175.76 174.14 1j8i s VAL 89 N 1.26 -0.33 0.06 0.00 0.11 -1.26 -5.14 120.40 115.09 1j8i s VAL 89 Ca 0.21 -0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 59.04 1j8i s VAL 89 Cb 0.11 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1j8i s VAL 89 CO -0.12 -0.21 0.19 -0.89 -3.33 0.00 0.00 175.10 170.74 1j8i s THR 90 N 2.33 0.12 -0.10 5.04 2.01 -1.26 -5.16 115.64 118.62 1j8i s THR 90 Ca 0.07 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1j8i s THR 90 Cb -0.16 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 1j8i s THR 90 CO -0.12 -0.54 -0.11 -0.22 -0.69 0.00 0.00 174.62 172.93 1j8i s LEU 91 N -2.33 2.88 0.54 4.42 2.96 -1.26 -5.09 118.68 120.80 1j8i s LEU 91 Ca -0.02 -0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 53.49 1j8i s LEU 91 Cb 0.01 -1.63 -0.07 0.00 0.50 0.00 0.00 46.19 45.00 1j8i s LEU 91 CO -0.06 0.26 0.95 0.35 -1.32 0.00 0.00 176.35 176.53 1j8i n THR 92 N 2.89 3.15 0.00 3.68 -2.24 -1.26 -5.36 114.28 115.14 1j8i n THR 92 Ca -0.18 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1j8i n THR 92 Cb 0.53 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1j8i n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11