#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 1.71 3.84 2.92 0.00 -1.26 -5.19 105.19 107.21 1j8i n GLY 2 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 1j8i n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j8i s SER 3 N 0.00 -0.01 -0.09 1.61 0.01 -1.26 -5.15 113.70 108.81 1j8i s SER 3 Ca 0.00 -0.89 -0.15 0.00 1.31 0.00 0.00 55.95 56.22 1j8i s SER 3 Cb 0.00 0.68 -0.05 0.00 0.21 0.00 0.00 66.02 66.86 1j8i s SER 3 CO 0.00 -1.34 0.39 -1.83 0.41 0.00 0.00 173.24 170.87 1j8i s GLU 4 N -2.35 4.14 0.20 12.44 -1.05 -1.26 -5.08 118.70 125.73 1j8i s GLU 4 Ca 0.18 0.32 0.06 0.00 -0.15 0.00 0.00 54.97 55.38 1j8i s GLU 4 Cb -0.04 -3.35 -0.05 0.00 -0.44 0.00 0.00 34.13 30.25 1j8i s GLU 4 CO 0.08 0.39 -0.09 0.54 0.95 0.00 0.00 175.26 177.13 1j8i s VAL 5 N -0.07 1.38 0.00 1.83 0.11 -1.26 -4.65 120.40 117.74 1j8i s VAL 5 Ca 0.22 -2.11 0.00 0.00 -2.93 0.00 0.00 61.98 57.16 1j8i s VAL 5 Cb -0.15 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 1j8i s VAL 5 CO 0.09 -0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 171.06 1j8i n SER 6 N -0.34 0.00 -0.03 3.54 2.88 -1.26 -4.73 113.62 113.68 1j8i n SER 6 Ca -0.08 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.25 1j8i n SER 6 Cb 0.61 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.94 1j8i n SER 6 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1j8i n ASP 7 N 0.17 2.08 -0.26 -3.46 2.03 -1.23 -4.04 116.55 111.85 1j8i n ASP 7 Ca 0.00 0.14 0.28 0.00 0.52 0.00 0.00 54.79 55.73 1j8i n ASP 7 Cb 0.00 -0.76 0.67 0.00 -0.72 0.00 0.00 41.12 40.30 1j8i n ASP 7 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1j8i h LYS 8 N -0.01 0.12 0.02 -0.67 2.10 -1.83 -1.98 116.57 114.32 1j8i h LYS 8 Ca -0.46 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1j8i h LYS 8 Cb 1.96 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 33.26 1j8i h LYS 8 CO 0.02 0.08 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.43 1j8i h ARG 9 N 0.12 -0.05 0.00 0.07 2.43 -1.96 -3.47 114.38 111.52 1j8i h ARG 9 Ca 0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1j8i h ARG 9 Cb 1.77 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 1j8i h ARG 9 CO -0.08 -0.04 0.00 2.41 -1.51 0.00 0.00 179.97 180.75 1j8i n THR 10 N -2.50 0.00 -2.86 0.20 -1.04 -0.74 -5.16 114.28 102.19 1j8i n THR 10 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1j8i n THR 10 Cb 0.03 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.00 0.00 -2.77 0.00 0.31 -1.26 -3.52 118.33 111.08 1j8i n VAL 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j8i n VAL 12 Cb 0.00 -0.69 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 -0.84 0.87 -4.24 4.52 2.88 -1.26 -4.84 113.62 110.70 1j8i n SER 13 Ca 0.00 -0.34 -0.39 0.00 -1.33 0.00 0.00 58.87 56.81 1j8i n SER 13 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 4.97 0.00 2.46 1.43 -1.26 -4.14 118.68 122.13 1j8i s LEU 14 Ca 0.00 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.59 1j8i s LEU 14 Cb 0.00 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1j8i s LEU 14 CO 0.00 -0.49 0.00 0.41 0.23 0.00 0.00 176.35 176.50 1j8i n THR 15 N 4.84 0.00 -1.01 5.49 -1.04 0.12 -4.66 114.28 118.01 1j8i n THR 15 Ca -0.09 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1j8i n THR 15 Cb 0.43 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.94 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 -3.17 12.58 5.66 -1.26 -4.95 114.28 123.14 1j8i n THR 16 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1j8i n THR 16 Cb 0.00 -0.43 -0.02 0.00 -1.55 0.00 0.00 70.33 68.33 1j8i n THR 16 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1j8i s GLN 17 N -1.66 0.11 -1.23 1.09 0.74 -1.26 -5.08 119.66 112.37 1j8i s GLN 17 Ca 0.00 0.21 -0.20 0.00 0.05 0.00 0.00 55.36 55.42 1j8i s GLN 17 Cb 0.00 0.12 0.03 0.00 1.10 0.00 0.00 33.01 34.25 1j8i s GLN 17 CO 0.00 -0.11 1.77 0.50 -0.55 0.00 0.00 175.29 176.90 1j8i s ARG 18 N 2.84 3.54 0.23 1.67 3.52 -1.26 -4.95 118.95 124.53 1j8i s ARG 18 Ca -0.05 -1.66 -0.30 0.00 -0.13 0.00 0.00 55.73 53.60 1j8i s ARG 18 Cb -0.08 -5.44 -0.09 0.00 -1.56 0.00 0.00 34.95 27.79 1j8i s ARG 18 CO -0.10 -2.71 1.19 -0.51 -0.81 0.00 0.00 175.30 172.35 1j8i s LEU 19 N 6.15 4.47 0.16 -0.88 1.02 -1.26 -4.99 118.68 123.35 1j8i s LEU 19 Ca 0.57 2.30 -0.30 0.00 0.02 0.00 0.00 54.13 56.72 1j8i s LEU 19 Cb 0.02 -3.62 -0.07 0.00 0.02 0.00 0.00 46.19 42.54 1j8i s LEU 19 CO 0.07 -0.33 1.13 -2.16 0.02 0.00 0.00 176.35 175.08 1j8i s PRO 20 N -0.74 4.56 0.37 1.29 0.04 -1.26 -4.91 135.00 134.34 1j8i s PRO 20 Ca 0.50 1.74 0.13 0.00 0.04 0.00 0.00 61.00 63.42 1j8i s PRO 20 Cb -0.33 -3.28 0.95 0.00 0.04 0.00 0.00 34.50 31.87 1j8i s PRO 20 CO 0.40 0.00 1.82 -0.24 0.04 0.00 0.00 177.00 179.02 1j8i h VAL 21 N 3.85 0.68 -0.31 -0.36 3.04 -1.94 0.91 116.25 122.12 1j8i h VAL 21 Ca -0.44 -0.19 0.09 0.00 -1.01 0.00 0.00 66.70 65.15 1j8i h VAL 21 Cb 1.21 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 1j8i h VAL 21 CO 0.74 0.10 0.23 -1.28 -1.01 0.00 0.00 177.57 176.35 1j8i h SER 22 N 0.55 0.00 1.18 3.17 0.87 -2.00 0.31 113.55 117.64 1j8i h SER 22 Ca 0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1j8i h SER 22 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1j8i h SER 22 CO -0.27 0.00 -0.79 0.03 -0.53 0.00 0.00 176.83 175.27 1j8i h ARG 23 N 0.00 0.00 -6.24 2.24 -0.00 0.44 -3.46 114.38 107.35 1j8i h ARG 23 Ca 0.15 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 59.06 1j8i h ARG 23 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.54 1j8i h ARG 23 CO -0.00 0.00 -0.26 0.42 0.00 0.00 0.00 179.97 180.13 1j8i s ILE 24 N -3.33 5.10 0.00 2.04 1.01 0.11 -3.51 121.20 122.63 1j8i s ILE 24 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1j8i s ILE 24 Cb 0.09 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1j8i s ILE 24 CO 0.76 -0.00 0.00 1.17 0.00 0.00 0.00 174.94 176.87 1j8i n LYS 25 N -0.01 0.00 -4.49 2.79 4.81 0.37 -4.75 118.16 116.88 1j8i n LYS 25 Ca -0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.14 1j8i n LYS 25 Cb 0.52 -0.09 -0.09 0.00 0.02 0.00 0.00 35.03 35.39 1j8i n LYS 25 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1j8i s THR 26 N -0.29 1.85 0.04 3.15 -1.32 -0.14 -3.68 115.64 115.25 1j8i s THR 26 Ca 0.00 -1.89 -0.06 0.00 -1.21 0.00 0.00 61.69 58.53 1j8i s THR 26 Cb 0.00 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.23 1j8i s THR 26 CO 0.00 0.00 0.10 -0.72 -2.21 0.00 0.00 174.62 171.79 1j8i s TYR 27 N -2.73 0.20 -0.05 9.09 1.13 -1.26 0.20 117.35 123.93 1j8i s TYR 27 Ca 0.29 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.45 1j8i s TYR 27 Cb 0.06 -0.14 0.02 0.00 -1.10 0.00 0.00 41.96 40.80 1j8i s TYR 27 CO 0.16 -0.38 -0.06 0.99 -2.51 0.00 0.00 175.55 173.74 1j8i s THR 28 N -2.75 0.68 -0.08 -3.49 2.01 0.33 -4.94 115.64 107.41 1j8i s THR 28 Ca -0.04 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1j8i s THR 28 Cb -0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1j8i s THR 28 CO -0.05 0.26 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.36 1j8i s ILE 29 N 0.97 2.93 0.35 1.82 1.01 -1.26 0.19 121.20 127.21 1j8i s ILE 29 Ca -0.10 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 59.88 1j8i s ILE 29 Cb -0.14 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1j8i s ILE 29 CO 0.00 0.56 0.23 0.42 0.00 0.00 0.00 174.94 176.16 1j8i s THR 30 N -0.26 3.14 -0.00 2.92 -4.23 -1.01 -4.98 115.64 111.21 1j8i s THR 30 Ca 0.01 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1j8i s THR 30 Cb -0.13 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 1j8i s THR 30 CO 0.03 -0.15 0.03 -0.62 -0.54 0.00 0.00 174.62 173.37 1j8i n GLU 31 N -1.29 0.14 -0.11 3.99 -0.58 -1.26 -3.84 120.64 117.69 1j8i n GLU 31 Ca -0.02 -0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.67 1j8i n GLU 31 Cb 0.61 -1.03 0.03 0.00 -0.57 0.00 0.00 31.44 30.48 1j8i n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j8i n GLY 32 N 2.44 -2.84 0.55 0.62 0.00 -1.26 -4.44 105.19 100.25 1j8i n GLY 32 Ca -0.00 -1.39 0.33 0.00 0.00 0.00 0.00 46.02 44.96 1j8i n GLY 32 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j8i h SER 33 N -1.51 0.00 0.79 1.61 0.02 -2.05 0.44 113.55 112.85 1j8i h SER 33 Ca -0.05 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1j8i h SER 33 Cb 0.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1j8i h SER 33 CO 0.03 0.00 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.28 1j8i h LEU 34 N 0.00 -0.90 -3.02 5.07 3.38 -1.93 -3.46 115.31 114.46 1j8i h LEU 34 Ca 0.55 0.03 -0.53 0.00 0.09 0.00 0.00 57.88 58.01 1j8i h LEU 34 Cb 2.70 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 43.58 1j8i h LEU 34 CO -0.01 -0.54 -0.86 -1.14 0.09 0.00 0.00 178.44 175.99 1j8i n ARG 35 N -5.48 -0.62 -4.17 1.13 3.00 0.15 -4.92 116.66 105.76 1j8i n ARG 35 Ca -0.13 0.02 -0.13 0.00 -0.00 0.00 0.00 57.85 57.61 1j8i n ARG 35 Cb 0.42 -2.52 -0.11 0.00 0.00 0.00 0.00 32.46 30.25 1j8i n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j8i s ALA 36 N -3.96 1.05 -0.30 5.13 0.00 -1.26 -4.74 121.76 117.68 1j8i s ALA 36 Ca 0.22 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 1j8i s ALA 36 Cb -0.12 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1j8i s ALA 36 CO 0.86 -0.10 0.36 0.14 0.00 0.00 0.00 175.76 177.02 1j8i s VAL 37 N -2.75 5.18 -0.17 0.00 -7.23 -0.17 -2.41 120.40 112.85 1j8i s VAL 37 Ca 0.07 0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.43 1j8i s VAL 37 Cb -0.01 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.14 1j8i s VAL 37 CO -0.01 0.05 0.26 -0.63 -0.31 0.00 0.00 175.10 174.46 1j8i s ILE 38 N 2.04 5.33 -0.24 -0.62 -1.09 0.51 -0.16 121.20 126.97 1j8i s ILE 38 Ca 0.13 0.47 -0.05 0.00 -2.23 0.00 0.00 60.65 58.97 1j8i s ILE 38 Cb -0.16 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1j8i s ILE 38 CO 0.11 0.40 0.01 -0.36 -1.23 0.00 0.00 174.94 173.87 1j8i s PHE 39 N 0.45 3.03 -0.20 3.97 0.08 0.04 0.12 117.98 125.47 1j8i s PHE 39 Ca 0.15 -0.78 -0.08 0.00 0.12 0.00 0.00 56.93 56.34 1j8i s PHE 39 Cb -0.13 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 1j8i s PHE 39 CO 0.03 -0.49 0.08 0.42 -0.10 0.00 0.00 175.22 175.15 1j8i s ILE 40 N 1.53 4.76 0.38 0.64 1.01 0.52 -1.10 121.20 128.93 1j8i s ILE 40 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1j8i s ILE 40 Cb -0.15 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 1j8i s ILE 40 CO -0.00 0.42 0.55 0.42 0.00 0.00 0.00 174.94 176.33 1j8i s THR 41 N 0.72 4.03 0.51 2.92 -4.23 -0.88 0.14 115.64 118.84 1j8i s THR 41 Ca 0.04 -0.81 0.15 0.00 -1.18 0.00 0.00 61.69 59.90 1j8i s THR 41 Cb -0.13 -3.43 0.26 0.00 1.34 0.00 0.00 72.50 70.54 1j8i s THR 41 CO 0.02 -0.22 2.13 0.07 -0.54 0.00 0.00 174.62 176.08 1j8i h LYS 42 N 0.70 0.03 0.00 3.99 2.10 -1.85 0.19 116.57 121.72 1j8i h LYS 42 Ca -0.46 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 1j8i h LYS 42 Cb 1.26 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1j8i h LYS 42 CO 0.54 0.04 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.92 1j8i h ARG 43 N 0.03 0.00 0.00 0.07 1.12 -1.94 -3.46 114.38 110.21 1j8i h ARG 43 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1j8i h ARG 43 Cb 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1j8i h ARG 43 CO 0.00 0.03 0.00 0.41 -3.11 0.00 0.00 179.97 177.30 1j8i n GLY 44 N -0.28 0.52 3.61 2.80 0.00 0.67 -5.04 105.19 107.47 1j8i n GLY 44 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.73 -0.13 0.99 1.02 -1.26 -4.77 118.68 118.28 1j8i s LEU 45 Ca 0.00 0.68 -0.06 0.00 0.02 0.00 0.00 54.13 54.77 1j8i s LEU 45 Cb 0.00 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.62 1j8i s LEU 45 CO 0.00 -1.13 0.08 -1.59 0.02 0.00 0.00 176.35 173.73 1j8i s LYS 46 N 4.20 3.47 0.38 1.70 -2.85 -1.26 -2.08 119.74 123.29 1j8i s LYS 46 Ca 0.47 -0.26 0.04 0.00 -1.00 0.00 0.00 55.97 55.22 1j8i s LYS 46 Cb -0.09 -3.09 -0.03 0.00 -2.06 0.00 0.00 37.83 32.56 1j8i s LYS 46 CO 0.26 0.62 0.14 0.54 0.10 0.00 0.00 175.35 177.01 1j8i s VAL 47 N -0.61 0.58 0.20 1.79 0.11 -0.26 -4.56 120.40 117.65 1j8i s VAL 47 Ca 0.12 -2.00 0.11 0.00 -2.93 0.00 0.00 61.98 57.28 1j8i s VAL 47 Cb -0.12 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 1j8i s VAL 47 CO 0.02 0.00 -0.22 0.00 -3.33 0.00 0.00 175.10 171.57 1j8i s ALA 49 N -1.71 -1.02 -0.07 0.00 0.00 0.77 0.11 121.76 119.83 1j8i s ALA 49 Ca 0.22 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.26 1j8i s ALA 49 Cb -0.08 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1j8i s ALA 49 CO 0.11 -0.45 0.78 -0.51 0.00 0.00 0.00 175.76 175.69 1j8i s ASP 50 N -1.97 7.06 0.00 0.00 1.01 -1.26 -1.00 116.67 120.51 1j8i s ASP 50 Ca -0.06 1.29 0.21 0.00 0.71 0.00 0.00 52.55 54.71 1j8i s ASP 50 Cb -0.01 -2.45 1.28 0.00 1.01 0.00 0.00 42.92 42.75 1j8i s ASP 50 CO -0.02 -0.19 1.69 -0.81 0.21 0.00 0.00 175.17 176.04 1j8i n PRO 51 N 4.05 0.75 0.03 8.23 -0.04 -1.26 -2.48 135.00 144.28 1j8i n PRO 51 Ca 0.01 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.61 1j8i n PRO 51 Cb 0.51 -1.45 0.48 0.00 -0.04 0.00 0.00 33.50 33.01 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 -0.95 0.09 -3.04 0.54 0.00 -1.26 -4.71 117.38 108.05 1j8i n GLN 52 Ca 0.16 0.06 -0.40 0.00 -0.00 0.00 0.00 57.00 56.83 1j8i n GLN 52 Cb 0.07 -1.60 -0.05 0.00 0.00 0.00 0.00 30.24 28.66 1j8i n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j8i s ALA 53 N -3.04 3.42 0.14 1.69 0.00 -1.03 -4.97 121.76 117.97 1j8i s ALA 53 Ca 0.12 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 1j8i s ALA 53 Cb 0.17 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1j8i s ALA 53 CO 0.58 0.14 1.49 1.15 0.00 0.00 0.00 175.76 179.12 1j8i h THR 54 N 3.96 1.27 -0.36 0.00 2.02 -1.90 -1.47 112.91 116.43 1j8i h THR 54 Ca -0.45 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.21 1j8i h THR 54 Cb 1.21 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1j8i h THR 54 CO 0.69 0.50 0.10 4.11 0.37 0.00 0.00 175.52 181.30 1j8i h TRP 55 N 0.75 0.52 -0.10 3.16 5.08 -1.96 0.35 115.95 123.75 1j8i h TRP 55 Ca 0.07 -0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.00 1j8i h TRP 55 Cb 0.92 -0.16 -0.00 0.00 -3.00 0.00 0.00 29.16 26.91 1j8i h TRP 55 CO 0.06 0.45 -0.02 0.28 -1.28 0.00 0.00 178.44 177.93 1j8i h VAL 56 N 0.52 1.28 -0.38 0.12 2.07 -1.79 0.23 116.25 118.30 1j8i h VAL 56 Ca 0.12 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1j8i h VAL 56 Cb 0.17 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1j8i h VAL 56 CO -0.01 0.26 0.03 0.03 0.02 0.00 0.00 177.57 177.90 1j8i h ARG 57 N -0.13 0.59 -0.22 1.57 3.08 -0.64 0.46 114.38 119.10 1j8i h ARG 57 Ca 0.03 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 1j8i h ARG 57 Cb 0.42 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1j8i h ARG 57 CO 0.01 0.60 -0.22 0.22 -1.07 0.00 0.00 179.97 179.51 1j8i h ASP 58 N 0.57 0.57 -0.40 7.04 3.58 -0.14 -1.89 116.42 125.74 1j8i h ASP 58 Ca 0.12 -0.48 -0.10 0.00 0.42 0.00 0.00 57.03 57.00 1j8i h ASP 58 Cb 0.32 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1j8i h ASP 58 CO 0.01 0.93 -0.11 0.58 -2.88 0.00 0.00 179.24 177.76 1j8i h VAL 59 N 0.21 1.26 -1.01 2.25 2.07 -0.13 -2.50 116.25 118.41 1j8i h VAL 59 Ca 0.03 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.37 1j8i h VAL 59 Cb 0.77 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1j8i h VAL 59 CO 0.05 0.42 0.67 0.58 0.02 0.00 0.00 177.57 179.30 1j8i h VAL 60 N 0.77 1.23 -0.71 2.57 2.07 0.02 0.78 116.25 122.99 1j8i h VAL 60 Ca 0.13 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1j8i h VAL 60 Cb 0.62 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1j8i h VAL 60 CO 0.04 0.24 0.43 -0.09 0.02 0.00 0.00 177.57 178.21 1j8i h ARG 61 N 1.33 0.95 -0.09 1.57 9.65 -0.91 -2.79 114.38 124.09 1j8i h ARG 61 Ca 0.38 -0.08 -0.12 0.00 -1.10 0.00 0.00 59.98 59.06 1j8i h ARG 61 Cb -0.10 -0.20 0.01 0.00 -1.39 0.00 0.00 29.97 28.28 1j8i h ARG 61 CO -0.10 0.67 -0.41 1.03 2.80 0.00 0.00 179.97 183.97 1j8i h SER 62 N 0.96 0.52 -1.00 -3.80 0.87 -0.98 -3.21 113.55 106.91 1j8i h SER 62 Ca 0.25 -0.64 0.37 0.00 -1.23 0.00 0.00 61.79 60.55 1j8i h SER 62 Cb -0.04 -0.15 -0.18 0.00 -0.44 0.00 0.00 62.40 61.59 1j8i h SER 62 CO -0.05 1.07 0.41 0.24 -0.53 0.00 0.00 176.83 177.97 1j8i h MET 63 N -0.00 0.03 -0.45 2.24 2.86 0.81 1.62 114.93 122.04 1j8i h MET 63 Ca -0.02 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1j8i h MET 63 Cb 1.05 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 1j8i h MET 63 CO 0.08 0.02 0.24 0.22 1.06 0.00 0.00 176.91 178.53 1j8i h ASP 64 N 0.03 0.36 0.68 1.22 1.82 -1.51 0.38 116.42 119.41 1j8i h ASP 64 Ca 0.77 0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 57.33 1j8i h ASP 64 Cb 1.93 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.87 1j8i h ASP 64 CO -0.79 0.26 -0.45 -0.09 -1.61 0.00 0.00 179.24 176.55 1j8i h ARG 65 N 0.48 0.00 -0.18 0.28 2.43 0.20 -2.40 114.38 115.20 1j8i h ARG 65 Ca 0.19 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 1j8i h ARG 65 Cb 0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1j8i h ARG 65 CO -0.12 0.45 -0.55 -0.22 -1.51 0.00 0.00 179.97 178.03 1j8i h LYS 66 N 0.00 0.53 -0.91 0.20 1.63 0.11 -2.98 116.57 115.16 1j8i h LYS 66 Ca -0.00 -0.33 -0.57 0.00 -0.85 0.00 0.00 60.65 58.89 1j8i h LYS 66 Cb 0.91 0.04 -0.29 0.00 -0.60 0.00 0.00 32.23 32.29 1j8i h LYS 66 CO 0.06 0.94 0.53 0.45 -3.45 0.00 0.00 179.45 177.98 1j8i n SER 67 N -3.95 5.80 -0.05 4.20 2.88 0.12 -4.48 113.62 118.13 1j8i n SER 67 Ca -0.03 -3.74 -0.04 0.00 -1.33 0.00 0.00 58.87 53.73 1j8i n SER 67 Cb 0.60 -0.84 -0.01 0.00 -0.75 0.00 0.00 64.21 63.21 1j8i n SER 67 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1j8i n ASN 68 N -0.98 1.22 -2.78 -3.46 3.02 -0.93 -4.61 115.26 106.75 1j8i n ASN 68 Ca 0.57 0.37 -0.35 0.00 -0.03 0.00 0.00 54.58 55.14 1j8i n ASN 68 Cb 1.01 -0.70 0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1j8i n ASN 68 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1j8i n THR 69 N -3.79 3.20 -0.32 3.41 5.66 -1.26 -4.81 114.28 116.37 1j8i n THR 69 Ca -0.07 -4.59 0.23 0.00 -3.05 0.00 0.00 64.05 56.57 1j8i n THR 69 Cb 0.25 -1.26 0.44 0.00 -1.55 0.00 0.00 70.33 68.21 1j8i n THR 69 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1j8i n ARG 70 N -0.50 -0.07 -0.05 1.09 0.63 -1.26 0.27 116.66 116.77 1j8i n ARG 70 Ca 0.48 1.38 -0.12 0.00 -0.92 0.00 0.00 57.85 58.67 1j8i n ARG 70 Cb 0.39 -2.35 -0.08 0.00 0.45 0.00 0.00 32.46 30.87 1j8i n ARG 70 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1j8i h ASN 71 N 0.00 -1.51 -2.38 6.15 4.21 -1.96 -2.30 115.58 117.78 1j8i h ASN 71 Ca 0.71 0.19 -0.80 0.00 1.21 0.00 0.00 56.30 57.60 1j8i h ASN 71 Cb 1.72 0.60 -0.26 0.00 -1.12 0.00 0.00 38.32 39.26 1j8i h ASN 71 CO -0.82 -0.39 1.09 0.59 -1.29 0.00 0.00 177.43 176.61 1j8i n ASN 72 N -4.98 6.96 -0.88 5.81 4.13 0.14 -4.69 115.26 121.75 1j8i n ASN 72 Ca -0.04 -3.52 0.04 0.00 1.68 0.00 0.00 54.58 52.74 1j8i n ASN 72 Cb 0.31 -1.24 0.17 0.00 -1.54 0.00 0.00 39.78 37.48 1j8i n ASN 72 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 1j8i n MET 73 N 0.77 2.28 -0.04 3.52 0.00 -0.87 -3.63 117.12 119.15 1j8i n MET 73 Ca 0.40 -1.31 -0.06 0.00 0.00 0.00 0.00 57.70 56.73 1j8i n MET 73 Cb 0.29 -1.56 -0.05 0.00 0.00 0.00 0.00 33.22 31.90 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 0.38 0.54 -4.01 3.17 -0.00 -1.26 -5.00 119.36 113.17 1j8i n ILE 74 Ca 0.12 -0.25 -0.29 0.00 -0.00 0.00 0.00 62.75 62.32 1j8i n ILE 74 Cb 0.48 -0.82 -0.08 0.00 -0.00 0.00 0.00 39.64 39.22 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 -2.59 -0.88 -0.93 6.28 -0.00 -1.24 -4.78 117.38 113.24 1j8i n GLN 75 Ca -0.15 0.09 -0.36 0.00 -0.00 0.00 0.00 57.00 56.57 1j8i n GLN 75 Cb 0.71 -3.32 0.06 0.00 -0.00 0.00 0.00 30.24 27.69 1j8i n GLN 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1j8i n THR 76 N -3.76 0.00 -3.75 -0.39 -1.04 -1.26 -5.00 114.28 99.07 1j8i n THR 76 Ca -0.13 -0.22 -0.15 0.00 -2.04 0.00 0.00 64.05 61.50 1j8i n THR 76 Cb 0.50 -0.15 -0.16 0.00 -1.82 0.00 0.00 70.33 68.70 1j8i n THR 76 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1j8i s LYS 77 N -2.37 -0.02 0.76 -2.82 2.47 -1.26 -5.15 119.74 111.34 1j8i s LYS 77 Ca 0.42 0.25 -0.11 0.00 -1.56 0.00 0.00 55.97 54.97 1j8i s LYS 77 Cb -0.05 -0.27 0.05 0.00 -1.46 0.00 0.00 37.83 36.10 1j8i s LYS 77 CO 0.72 -0.19 1.08 -1.25 0.16 0.00 0.00 175.35 175.87 1j8i s PRO 78 N 1.25 2.42 0.00 4.03 0.04 -1.26 -5.08 135.00 136.39 1j8i s PRO 78 Ca -0.07 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1j8i s PRO 78 Cb -0.13 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1j8i s PRO 78 CO -0.03 -1.42 0.00 -2.37 0.04 0.00 0.00 177.00 173.22 1j8i n THR 79 N -3.32 0.00 0.00 1.26 5.66 -1.26 -5.15 114.28 111.48 1j8i n THR 79 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1j8i n THR 79 Cb 0.55 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 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 5.00 1.32 3.53 1.09 0.00 -1.26 -5.17 105.19 109.69 1j8i n GLY 80 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1j8i n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8i s THR 81 N 2.37 0.02 0.19 2.61 2.01 -1.26 -5.18 115.64 116.39 1j8i s THR 81 Ca 0.00 -1.32 0.02 0.00 0.31 0.00 0.00 61.69 60.70 1j8i s THR 81 Cb 0.00 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1j8i s THR 81 CO 0.00 -0.07 0.03 -1.10 -0.69 0.00 0.00 174.62 172.79 1j8i s GLN 82 N -3.99 1.19 0.13 4.92 1.11 -1.26 -5.17 119.66 116.58 1j8i s GLN 82 Ca 0.20 -1.59 -0.09 0.00 0.01 0.00 0.00 55.36 53.88 1j8i s GLN 82 Cb 0.00 -0.26 -0.00 0.00 -1.01 0.00 0.00 33.01 31.74 1j8i s GLN 82 CO 0.06 -0.17 0.24 -1.14 0.01 0.00 0.00 175.29 174.29 1j8i s GLN 83 N -3.95 1.01 0.16 2.91 0.74 -1.26 -5.18 119.66 114.10 1j8i s GLN 83 Ca 0.28 -1.06 -0.06 0.00 0.05 0.00 0.00 55.36 54.56 1j8i s GLN 83 Cb 0.06 0.36 -0.02 0.00 1.10 0.00 0.00 33.01 34.52 1j8i s GLN 83 CO 0.06 -0.35 0.21 0.45 -0.55 0.00 0.00 175.29 175.11 1j8i s SER 84 N -2.91 0.13 0.19 6.67 0.15 -1.26 -5.18 113.70 111.48 1j8i s SER 84 Ca 0.11 -1.02 -0.00 0.00 0.70 0.00 0.00 55.95 55.74 1j8i s SER 84 Cb 0.04 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1j8i s SER 84 CO -0.05 -0.85 0.08 -0.89 1.20 0.00 0.00 173.24 172.73 1j8i s THR 85 N -4.01 0.25 0.10 6.45 2.01 -1.26 -5.17 115.64 114.01 1j8i s THR 85 Ca 0.21 -1.97 -0.12 0.00 0.31 0.00 0.00 61.69 60.12 1j8i s THR 85 Cb 0.05 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.21 1j8i s THR 85 CO 0.02 -0.19 0.27 0.20 -0.69 0.00 0.00 174.62 174.23 1j8i s ASN 86 N -3.17 -0.02 0.37 3.53 0.01 -1.26 -5.18 114.94 109.22 1j8i s ASN 86 Ca 0.33 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 52.01 1j8i s ASN 86 Cb 0.07 0.39 -0.02 0.00 0.41 0.00 0.00 41.25 42.11 1j8i s ASN 86 CO 0.09 -0.77 0.15 0.35 -1.51 0.00 0.00 177.10 175.40 1j8i n THR 87 N -0.10 0.00 -3.19 1.60 -2.24 -1.26 -5.16 114.28 103.93 1j8i n THR 87 Ca -0.16 -2.21 0.04 0.00 -2.27 0.00 0.00 64.05 59.45 1j8i n THR 87 Cb 0.63 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 1j8i n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8i s ALA 88 N -3.05 -3.44 -0.29 6.98 0.00 -1.26 -5.16 121.76 115.54 1j8i s ALA 88 Ca 0.21 1.60 -0.12 0.00 0.00 0.00 0.00 51.96 53.64 1j8i s ALA 88 Cb 0.01 -2.41 0.12 0.00 0.00 0.00 0.00 23.12 20.84 1j8i s ALA 88 CO 0.15 -1.22 0.68 0.54 0.00 0.00 0.00 175.76 175.90 1j8i s VAL 89 N 2.55 -0.65 0.15 0.00 0.11 -1.26 -5.17 120.40 116.12 1j8i s VAL 89 Ca -0.03 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 1j8i s VAL 89 Cb -0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1j8i s VAL 89 CO -0.13 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.62 1j8i s THR 90 N 2.46 3.03 1.00 5.04 2.01 -1.26 -5.10 115.64 122.83 1j8i s THR 90 Ca -0.07 -1.56 -0.19 0.00 0.31 0.00 0.00 61.69 60.18 1j8i s THR 90 Cb -0.09 -2.45 -0.12 0.00 0.01 0.00 0.00 72.50 69.85 1j8i s THR 90 CO -0.19 0.00 -0.74 0.00 -0.69 0.00 0.00 174.62 173.00 1j8i n LEU 91 N 0.44 -4.32 -4.45 4.42 -0.00 -1.26 -4.92 117.00 106.91 1j8i n LEU 91 Ca -0.13 0.15 -0.30 0.00 -0.00 0.00 0.00 56.01 55.72 1j8i n LEU 91 Cb 0.54 -0.78 0.27 0.00 -0.00 0.00 0.00 43.42 43.44 1j8i n LEU 91 CO 0.32 -4.77 0.52 0.42 -0.00 0.00 0.00 177.39 173.87 1j8i s THR 92 N -2.07 1.40 0.00 1.47 -4.23 -1.26 -5.33 115.64 105.62 1j8i s THR 92 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1j8i s THR 92 Cb -0.12 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1j8i s THR 92 CO 0.76 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.45