#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 -0.72 3.40 2.92 0.00 -1.26 -5.16 105.19 104.37 1j8i n GLY 2 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.00 -0.39 -0.17 1.61 0.01 -1.26 -4.98 113.70 104.53 1j8i s SER 3 Ca 0.00 0.84 -0.17 0.00 1.31 0.00 0.00 55.95 57.93 1j8i s SER 3 Cb 0.00 -1.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 1j8i s SER 3 CO 0.00 -4.95 0.44 -1.83 0.41 0.00 0.00 173.24 167.31 1j8i s GLU 4 N -5.12 4.24 -0.46 12.44 -1.05 -1.26 -5.02 118.70 122.47 1j8i s GLU 4 Ca 0.69 0.31 0.03 0.00 -0.15 0.00 0.00 54.97 55.86 1j8i s GLU 4 Cb -0.13 -3.50 0.16 0.00 -0.44 0.00 0.00 34.13 30.22 1j8i s GLU 4 CO 0.58 0.03 0.33 0.08 0.95 0.00 0.00 175.26 177.23 1j8i s VAL 5 N 1.07 0.93 -0.26 1.83 1.01 -1.26 -4.87 120.40 118.85 1j8i s VAL 5 Ca 0.22 -2.77 0.06 0.00 0.00 0.00 0.00 61.98 59.49 1j8i s VAL 5 Cb -0.15 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1j8i s VAL 5 CO 0.09 -1.10 0.24 -0.24 0.00 0.00 0.00 175.10 174.09 1j8i n SER 6 N 3.00 0.50 0.00 3.32 2.88 -1.26 -4.74 113.62 117.32 1j8i n SER 6 Ca 0.22 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1j8i n SER 6 Cb 0.42 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.89 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 -1.18 2.04 -0.10 -3.46 8.00 -1.26 -5.12 116.55 115.47 1j8i n ASP 7 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1j8i n ASP 7 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1j8i n ASP 7 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1j8i n LYS 8 N -2.50 0.00 0.01 -1.24 2.85 -1.26 -4.86 118.16 111.16 1j8i n LYS 8 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1j8i n LYS 8 Cb 0.39 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 1j8i n LYS 8 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1j8i n ARG 9 N -0.19 0.00 0.00 -1.58 3.00 -1.26 -5.03 116.66 111.60 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 -2.62 0.00 -3.73 5.15 -1.04 -1.26 -5.12 114.28 105.66 1j8i n THR 10 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j8i n THR 10 Cb 0.00 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 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 -3.05 0.00 0.31 -1.26 -4.91 118.33 109.42 1j8i n VAL 12 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1j8i n VAL 12 Cb 0.00 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 -1.86 1.26 -4.22 4.52 2.88 -1.26 -5.05 113.62 109.89 1j8i n SER 13 Ca 0.00 -0.42 -0.39 0.00 -1.33 0.00 0.00 58.87 56.74 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 5.04 0.00 2.46 1.43 -1.26 -4.36 118.68 121.98 1j8i s LEU 14 Ca 0.00 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 1j8i s LEU 14 Cb 0.00 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1j8i s LEU 14 CO 0.00 -0.51 0.00 0.41 0.23 0.00 0.00 176.35 176.48 1j8i n THR 15 N 4.81 0.00 -1.93 5.49 -1.04 -0.38 -4.72 114.28 116.51 1j8i n THR 15 Ca -0.09 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.74 1j8i n THR 15 Cb 0.43 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.42 -3.15 12.58 5.66 -1.26 -4.90 114.28 122.78 1j8i n THR 16 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1j8i n THR 16 Cb 0.00 -2.23 -0.01 0.00 -1.55 0.00 0.00 70.33 66.54 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 -4.22 0.12 -1.22 1.09 0.74 -1.26 -5.08 119.66 109.83 1j8i s GLN 17 Ca 0.00 0.16 -0.19 0.00 0.05 0.00 0.00 55.36 55.39 1j8i s GLN 17 Cb 0.00 0.09 0.08 0.00 1.10 0.00 0.00 33.01 34.27 1j8i s GLN 17 CO 0.00 -0.17 1.63 0.50 -0.55 0.00 0.00 175.29 176.70 1j8i s ARG 18 N 2.97 3.90 0.40 1.67 3.52 -1.26 -4.98 118.95 125.17 1j8i s ARG 18 Ca 0.11 -1.84 -0.25 0.00 -0.13 0.00 0.00 55.73 53.61 1j8i s ARG 18 Cb -0.06 -5.44 -0.08 0.00 -1.56 0.00 0.00 34.95 27.81 1j8i s ARG 18 CO -0.16 -2.19 1.18 -0.51 -0.81 0.00 0.00 175.30 172.81 1j8i s LEU 19 N 4.14 4.20 0.08 -0.88 1.02 -1.26 -4.98 118.68 121.01 1j8i s LEU 19 Ca 0.51 2.37 -0.30 0.00 0.02 0.00 0.00 54.13 56.72 1j8i s LEU 19 Cb 0.02 -4.00 -0.06 0.00 0.02 0.00 0.00 46.19 42.17 1j8i s LEU 19 CO 0.03 -0.67 1.15 -2.16 0.02 0.00 0.00 176.35 174.72 1j8i s PRO 20 N -2.27 4.48 0.38 1.29 0.04 -1.26 -4.91 135.00 132.75 1j8i s PRO 20 Ca 0.57 1.73 0.14 0.00 0.04 0.00 0.00 61.00 63.47 1j8i s PRO 20 Cb -0.31 -3.34 0.98 0.00 0.04 0.00 0.00 34.50 31.87 1j8i s PRO 20 CO 0.39 -0.16 1.82 -0.24 0.04 0.00 0.00 177.00 178.86 1j8i h VAL 21 N 4.35 0.67 -0.15 -0.36 3.04 -1.93 1.03 116.25 122.89 1j8i h VAL 21 Ca -0.42 -0.18 0.04 0.00 -1.01 0.00 0.00 66.70 65.13 1j8i h VAL 21 Cb 1.21 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 1j8i h VAL 21 CO 0.78 0.09 0.19 -1.28 -1.01 0.00 0.00 177.57 176.35 1j8i h SER 22 N 0.52 0.00 0.61 3.17 0.87 -2.02 0.50 113.55 117.20 1j8i h SER 22 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1j8i h SER 22 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1j8i h SER 22 CO -0.25 0.00 -1.09 0.54 -0.53 0.00 0.00 176.83 175.50 1j8i n ARG 23 N -3.68 0.44 -3.42 2.24 3.00 0.35 -4.90 116.66 110.69 1j8i n ARG 23 Ca 0.01 0.02 -0.30 0.00 -0.01 0.00 0.00 57.85 57.57 1j8i n ARG 23 Cb 0.30 -1.67 -0.04 0.00 0.00 0.00 0.00 32.46 31.05 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 -3.29 5.03 0.00 0.55 1.01 0.17 -3.28 121.20 121.39 1j8i s ILE 24 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1j8i s ILE 24 Cb 0.13 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1j8i s ILE 24 CO 0.80 -0.20 0.00 1.17 0.00 0.00 0.00 174.94 176.71 1j8i n LYS 25 N -0.59 0.00 -4.52 2.79 0.00 0.24 -4.71 118.16 111.37 1j8i n LYS 25 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 58.03 1j8i n LYS 25 Cb 0.53 -0.11 -0.10 0.00 0.00 0.00 0.00 35.03 35.35 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 -0.80 2.21 0.01 3.15 -1.32 -0.17 -4.47 115.64 114.26 1j8i s THR 26 Ca 0.00 -2.08 -0.06 0.00 -1.21 0.00 0.00 61.69 58.34 1j8i s THR 26 Cb 0.00 -2.80 -0.00 0.00 -1.51 0.00 0.00 72.50 68.18 1j8i s THR 26 CO 0.00 -0.12 0.11 -0.72 -2.21 0.00 0.00 174.62 171.67 1j8i s TYR 27 N -2.63 0.10 -0.08 9.09 1.13 -1.26 0.17 117.35 123.86 1j8i s TYR 27 Ca 0.34 -0.24 -0.01 0.00 -1.41 0.00 0.00 57.07 55.75 1j8i s TYR 27 Cb 0.05 -0.08 0.03 0.00 -1.10 0.00 0.00 41.96 40.85 1j8i s TYR 27 CO 0.18 -0.29 -0.03 0.99 -2.51 0.00 0.00 175.55 173.90 1j8i s THR 28 N -1.57 0.59 -0.11 -3.49 2.01 0.53 -4.95 115.64 108.65 1j8i s THR 28 Ca -0.14 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 1j8i s THR 28 Cb -0.07 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1j8i s THR 28 CO 0.00 0.29 0.01 -0.63 -0.69 0.00 0.00 174.62 173.61 1j8i s ILE 29 N 1.85 4.40 0.29 1.82 -1.09 -1.26 0.18 121.20 127.39 1j8i s ILE 29 Ca 0.04 -0.20 0.11 0.00 -2.23 0.00 0.00 60.65 58.37 1j8i s ILE 29 Cb -0.12 -2.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.82 1j8i s ILE 29 CO -0.06 0.57 -0.10 0.42 -1.23 0.00 0.00 174.94 174.55 1j8i s THR 30 N -0.55 2.78 0.00 2.92 -4.23 -0.69 -5.00 115.64 110.87 1j8i s THR 30 Ca 0.10 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1j8i s THR 30 Cb -0.12 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1j8i s THR 30 CO 0.02 -0.34 0.00 -0.62 -0.54 0.00 0.00 174.62 173.14 1j8i n GLU 31 N -0.78 0.67 0.00 3.99 4.71 -1.26 -3.45 120.64 124.53 1j8i n GLU 31 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1j8i n GLU 31 Cb 0.60 -0.94 0.00 0.00 -1.01 0.00 0.00 31.44 30.09 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 2.26 -2.58 0.64 0.62 0.00 -1.26 -4.23 105.19 100.63 1j8i n GLY 32 Ca 0.00 -1.41 0.49 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.49 0.04 0.20 1.61 7.64 -1.26 0.18 113.62 119.53 1j8i n SER 33 Ca 0.00 1.01 -0.14 0.00 1.01 0.00 0.00 58.87 60.76 1j8i n SER 33 Cb 0.00 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.62 1j8i n SER 33 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1j8i h LEU 34 N 0.00 -0.43 -1.87 -3.43 3.38 -1.93 -3.46 115.31 107.58 1j8i h LEU 34 Ca 0.89 -0.12 -0.52 0.00 0.09 0.00 0.00 57.88 58.22 1j8i h LEU 34 Cb 3.45 0.11 -0.21 0.00 0.09 0.00 0.00 40.66 44.11 1j8i h LEU 34 CO -0.09 -0.09 -0.79 -1.14 0.09 0.00 0.00 178.44 176.42 1j8i n ARG 35 N -5.19 -0.91 -4.13 1.13 0.00 0.49 -4.89 116.66 103.16 1j8i n ARG 35 Ca -0.10 0.08 -0.11 0.00 -0.00 0.00 0.00 57.85 57.73 1j8i n ARG 35 Cb 0.28 -3.17 -0.10 0.00 0.00 0.00 0.00 32.46 29.46 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 -3.86 0.79 -0.13 5.13 0.00 -1.22 -4.68 121.76 117.78 1j8i s ALA 36 Ca 0.15 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1j8i s ALA 36 Cb -0.09 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1j8i s ALA 36 CO 0.83 -0.19 0.31 0.14 0.00 0.00 0.00 175.76 176.85 1j8i s VAL 37 N -3.01 5.28 -0.22 0.00 -7.23 0.84 -1.70 120.40 114.35 1j8i s VAL 37 Ca 0.05 0.58 -0.04 0.00 -1.81 0.00 0.00 61.98 60.76 1j8i s VAL 37 Cb 0.01 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.31 1j8i s VAL 37 CO -0.04 0.43 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.52 1j8i s ILE 38 N 0.14 3.48 -0.29 -0.62 -1.09 0.47 0.58 121.20 123.87 1j8i s ILE 38 Ca 0.18 -0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 58.06 1j8i s ILE 38 Cb -0.13 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 1j8i s ILE 38 CO 0.05 0.42 0.10 -0.36 -1.23 0.00 0.00 174.94 173.93 1j8i s PHE 39 N 1.42 3.14 -0.20 3.97 0.08 0.99 0.20 117.98 127.58 1j8i s PHE 39 Ca 0.05 -0.66 -0.09 0.00 0.12 0.00 0.00 56.93 56.34 1j8i s PHE 39 Cb -0.14 -2.28 -0.05 0.00 -0.57 0.00 0.00 43.02 39.98 1j8i s PHE 39 CO -0.02 -0.47 0.12 0.42 -0.10 0.00 0.00 175.22 175.17 1j8i s ILE 40 N 1.58 5.24 0.35 0.64 1.01 0.46 -1.34 121.20 129.12 1j8i s ILE 40 Ca 0.04 0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.88 1j8i s ILE 40 Cb -0.16 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1j8i s ILE 40 CO 0.04 0.43 0.49 0.42 0.00 0.00 0.00 174.94 176.33 1j8i s THR 41 N 0.47 4.09 0.05 2.92 -4.23 -1.00 0.79 115.64 118.73 1j8i s THR 41 Ca 0.07 -0.93 0.31 0.00 -1.18 0.00 0.00 61.69 59.95 1j8i s THR 41 Cb -0.12 -3.43 0.31 0.00 1.34 0.00 0.00 72.50 70.61 1j8i s THR 41 CO -0.01 -0.18 1.93 0.07 -0.54 0.00 0.00 174.62 175.89 1j8i h LYS 42 N 0.83 0.00 0.00 3.99 2.10 -1.83 0.20 116.57 121.86 1j8i h LYS 42 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1j8i h LYS 42 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1j8i h LYS 42 CO 0.53 0.00 -0.07 0.00 -2.00 0.00 0.00 179.45 177.91 1j8i h ARG 43 N 0.00 0.00 0.00 0.07 -0.00 -1.93 -3.47 114.38 109.05 1j8i h ARG 43 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1j8i h ARG 43 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.10 1j8i h ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.38 1j8i n GLY 44 N 1.17 0.53 3.60 0.04 0.00 0.69 -5.04 105.19 106.18 1j8i n GLY 44 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1j8i n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j8i s LEU 45 N 0.00 3.80 -0.13 0.99 2.96 -1.26 -4.78 118.68 120.26 1j8i s LEU 45 Ca 0.00 0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 1j8i s LEU 45 Cb 0.00 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1j8i s LEU 45 CO 0.00 -1.11 0.10 -1.59 -1.32 0.00 0.00 176.35 172.43 1j8i s LYS 46 N 4.08 3.50 0.10 1.98 -2.85 -1.26 -2.39 119.74 122.91 1j8i s LYS 46 Ca 0.44 -0.23 0.05 0.00 -1.00 0.00 0.00 55.97 55.23 1j8i s LYS 46 Cb -0.09 -3.14 -0.04 0.00 -2.06 0.00 0.00 37.83 32.51 1j8i s LYS 46 CO 0.27 0.64 -0.13 0.54 0.10 0.00 0.00 175.35 176.77 1j8i s VAL 47 N -0.65 1.15 -0.09 1.79 0.11 -0.45 -4.54 120.40 117.71 1j8i s VAL 47 Ca 0.12 -1.61 -0.02 0.00 -2.93 0.00 0.00 61.98 57.54 1j8i s VAL 47 Cb -0.12 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 1j8i s VAL 47 CO 0.02 -0.43 0.00 0.00 -3.33 0.00 0.00 175.10 171.37 1j8i s ALA 49 N -0.86 0.28 0.02 0.00 0.00 0.20 -1.25 121.76 120.15 1j8i s ALA 49 Ca 0.13 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1j8i s ALA 49 Cb -0.11 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1j8i s ALA 49 CO 0.02 -0.28 0.94 -0.51 0.00 0.00 0.00 175.76 175.93 1j8i s ASP 50 N -2.25 7.35 0.00 0.00 1.01 -1.26 -0.11 116.67 121.40 1j8i s ASP 50 Ca -0.03 1.63 0.15 0.00 0.71 0.00 0.00 52.55 55.00 1j8i s ASP 50 Cb -0.00 -2.55 0.89 0.00 1.01 0.00 0.00 42.92 42.26 1j8i s ASP 50 CO -0.06 -0.19 1.40 -0.81 0.21 0.00 0.00 175.17 175.72 1j8i n PRO 51 N 3.59 0.75 0.05 8.23 -0.04 -1.26 -2.58 135.00 143.74 1j8i n PRO 51 Ca 0.04 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.63 1j8i n PRO 51 Cb 0.51 -1.31 0.48 0.00 -0.04 0.00 0.00 33.50 33.13 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 -0.81 0.13 -2.98 0.54 -0.06 -1.26 -4.72 117.38 108.23 1j8i n GLN 52 Ca 0.11 0.10 -0.40 0.00 -2.00 0.00 0.00 57.00 54.81 1j8i n GLN 52 Cb 0.05 -1.64 -0.05 0.00 -4.06 0.00 0.00 30.24 24.54 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 -3.05 3.34 0.20 1.69 0.00 -1.06 -4.95 121.76 117.92 1j8i s ALA 53 Ca 0.12 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.28 1j8i s ALA 53 Cb 0.16 -3.01 0.14 0.00 0.00 0.00 0.00 23.12 20.41 1j8i s ALA 53 CO 0.58 -0.01 1.61 1.15 0.00 0.00 0.00 175.76 179.08 1j8i h THR 54 N 4.38 1.27 -0.45 0.00 2.02 -1.91 -1.45 112.91 116.77 1j8i h THR 54 Ca -0.43 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.35 1j8i h THR 54 Cb 1.20 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1j8i h THR 54 CO 0.73 0.46 0.16 4.11 0.37 0.00 0.00 175.52 181.34 1j8i h TRP 55 N 0.70 0.65 -0.10 3.16 5.08 -1.97 0.51 115.95 123.98 1j8i h TRP 55 Ca 0.09 -0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.01 1j8i h TRP 55 Cb 0.77 -0.20 -0.00 0.00 -3.00 0.00 0.00 29.16 26.72 1j8i h TRP 55 CO 0.04 0.53 -0.03 0.28 -1.28 0.00 0.00 178.44 177.99 1j8i h VAL 56 N 0.64 1.29 -0.23 0.12 2.07 -1.77 0.99 116.25 119.36 1j8i h VAL 56 Ca 0.15 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1j8i h VAL 56 Cb 0.17 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1j8i h VAL 56 CO -0.01 0.27 -0.11 0.03 0.02 0.00 0.00 177.57 177.77 1j8i h ARG 57 N -0.12 0.38 -0.24 1.57 3.08 -0.70 0.14 114.38 118.49 1j8i h ARG 57 Ca 0.03 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1j8i h ARG 57 Cb 0.44 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1j8i h ARG 57 CO 0.01 0.50 -0.19 0.22 -1.07 0.00 0.00 179.97 179.44 1j8i h ASP 58 N 0.36 0.58 -0.39 7.04 1.82 0.20 -2.04 116.42 123.98 1j8i h ASP 58 Ca 0.07 -0.45 -0.08 0.00 -0.39 0.00 0.00 57.03 56.18 1j8i h ASP 58 Cb 0.41 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.24 1j8i h ASP 58 CO 0.02 0.91 -0.03 0.58 -1.61 0.00 0.00 179.24 179.11 1j8i h VAL 59 N 0.25 1.25 -0.97 2.25 2.07 -0.40 -2.32 116.25 118.38 1j8i h VAL 59 Ca 0.04 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1j8i h VAL 59 Cb 0.73 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1j8i h VAL 59 CO 0.05 0.37 0.64 0.58 0.02 0.00 0.00 177.57 179.24 1j8i h VAL 60 N 0.74 1.24 -0.37 2.57 2.07 -0.58 1.48 116.25 123.39 1j8i h VAL 60 Ca 0.14 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1j8i h VAL 60 Cb 0.50 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1j8i h VAL 60 CO 0.03 0.24 0.22 -0.09 0.02 0.00 0.00 177.57 177.98 1j8i h ARG 61 N 1.31 0.51 -0.13 1.57 1.12 -0.84 -2.90 114.38 115.01 1j8i h ARG 61 Ca 0.36 -0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 59.03 1j8i h ARG 61 Cb -0.13 -0.10 0.01 0.00 -0.01 0.00 0.00 29.97 29.73 1j8i h ARG 61 CO -0.08 0.39 -0.52 1.03 -3.11 0.00 0.00 179.97 177.68 1j8i h SER 62 N 0.48 0.68 -1.34 -3.80 0.87 -0.96 -3.16 113.55 106.32 1j8i h SER 62 Ca 0.13 -0.62 0.46 0.00 -1.23 0.00 0.00 61.79 60.53 1j8i h SER 62 Cb 0.02 -0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 61.64 1j8i h SER 62 CO -0.02 1.19 0.86 0.24 -0.53 0.00 0.00 176.83 178.56 1j8i h MET 63 N 0.21 0.04 -0.28 2.24 2.86 0.22 1.64 114.93 121.86 1j8i h MET 63 Ca -0.03 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1j8i h MET 63 Cb 1.16 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1j8i h MET 63 CO 0.11 0.02 0.16 0.22 1.06 0.00 0.00 176.91 178.49 1j8i h ASP 64 N 0.04 0.34 0.55 1.22 1.82 -1.48 0.25 116.42 119.16 1j8i h ASP 64 Ca 0.86 -0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 57.32 1j8i h ASP 64 Cb 2.71 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 42.62 1j8i h ASP 64 CO -0.47 0.30 -0.57 0.08 -1.61 0.00 0.00 179.24 176.98 1j8i h ARG 65 N 0.35 0.01 -0.41 0.28 0.11 0.21 0.12 114.38 115.06 1j8i h ARG 65 Ca 0.10 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 60.09 1j8i h ARG 65 Cb 0.03 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 1j8i h ARG 65 CO -0.02 0.58 -0.06 -0.22 0.10 0.00 0.00 179.97 180.35 1j8i h LYS 66 N 0.01 0.69 -1.24 0.08 3.11 0.11 -3.13 116.57 116.20 1j8i h LYS 66 Ca -0.01 -0.20 -0.52 0.00 -2.81 0.00 0.00 60.65 57.11 1j8i h LYS 66 Cb 1.01 -0.07 -0.42 0.00 -1.00 0.00 0.00 32.23 31.74 1j8i h LYS 66 CO 0.07 0.75 -0.85 0.45 -2.81 0.00 0.00 179.45 177.06 1j8i n SER 67 N -4.20 4.01 -0.12 4.20 2.88 0.02 -4.77 113.62 115.64 1j8i n SER 67 Ca 0.02 -3.46 -0.22 0.00 -1.33 0.00 0.00 58.87 53.87 1j8i n SER 67 Cb 0.32 -0.45 -0.08 0.00 -0.75 0.00 0.00 64.21 63.24 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 -0.45 1.92 0.04 -3.46 4.13 0.40 -4.20 115.26 113.64 1j8i n ASN 68 Ca 0.33 0.38 0.21 0.00 1.68 0.00 0.00 54.58 57.18 1j8i n ASN 68 Cb 0.75 -0.85 0.57 0.00 -1.54 0.00 0.00 39.78 38.71 1j8i n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j8i h THR 69 N -1.00 0.15 -0.21 3.41 1.03 -1.84 1.36 112.91 115.81 1j8i h THR 69 Ca -0.44 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 65.77 1j8i h THR 69 Cb 1.34 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 1j8i h THR 69 CO -0.27 0.00 -0.64 0.03 -0.01 0.00 0.00 175.52 174.63 1j8i h ARG 70 N 0.00 0.75 -6.01 0.00 2.47 -1.92 -3.22 114.38 106.46 1j8i h ARG 70 Ca 0.26 -0.53 -0.63 0.00 -1.26 0.00 0.00 59.98 57.82 1j8i h ARG 70 Cb 1.80 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 30.20 1j8i h ARG 70 CO -0.00 1.15 1.43 0.09 0.56 0.00 0.00 179.97 183.20 1j8i n ASN 71 N -3.96 2.75 -4.29 7.04 4.13 0.47 -1.78 115.26 119.62 1j8i n ASN 71 Ca -0.05 0.36 -0.32 0.00 1.68 0.00 0.00 54.58 56.25 1j8i n ASN 71 Cb 0.67 -1.41 -0.09 0.00 -1.54 0.00 0.00 39.78 37.41 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 10.46 0.54 0.00 6.41 3.02 -1.26 -4.84 115.26 129.59 1j8i n ASN 72 Ca 0.35 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1j8i n ASN 72 Cb 0.33 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 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 -4.40 0.00 0.00 3.52 0.00 -0.73 -4.98 117.12 110.53 1j8i n MET 73 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.44 1j8i n MET 73 Cb 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 33.22 33.65 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 0.00 0.00 -2.97 1.12 -5.35 -1.26 -5.04 119.36 105.86 1j8i n ILE 74 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 1j8i n ILE 74 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1j8i n ILE 74 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1j8i n GLN 75 N -0.50 3.78 -1.56 6.28 10.64 -1.26 -5.01 117.38 129.76 1j8i n GLN 75 Ca 0.00 -4.17 -0.52 0.00 -1.83 0.00 0.00 57.00 50.48 1j8i n GLN 75 Cb 0.00 -2.72 -0.05 0.00 -0.86 0.00 0.00 30.24 26.60 1j8i n GLN 75 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1j8i n THR 76 N 2.86 0.43 -3.74 -0.39 5.66 -1.26 -4.97 114.28 112.86 1j8i n THR 76 Ca 0.30 -0.11 -0.13 0.00 -3.05 0.00 0.00 64.05 61.07 1j8i n THR 76 Cb 0.38 -0.63 -0.13 0.00 -1.55 0.00 0.00 70.33 68.40 1j8i n THR 76 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1j8i s LYS 77 N 0.00 0.17 0.30 1.09 2.20 -1.26 -5.14 119.74 117.09 1j8i s LYS 77 Ca 0.81 0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 56.58 1j8i s LYS 77 Cb -0.98 -0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 35.13 1j8i s LYS 77 CO 0.51 -0.15 1.08 -1.25 -0.36 0.00 0.00 175.35 175.18 1j8i s PRO 78 N 1.14 4.55 1.22 4.03 0.04 -1.26 -5.02 135.00 139.70 1j8i s PRO 78 Ca -0.08 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 1j8i s PRO 78 Cb -0.10 -3.06 0.25 0.00 0.04 0.00 0.00 34.50 31.63 1j8i s PRO 78 CO -0.07 0.16 0.55 0.25 0.04 0.00 0.00 177.00 177.94 1j8i n THR 79 N 0.94 0.00 0.00 1.26 -2.24 -1.26 -5.04 114.28 107.95 1j8i n THR 79 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1j8i n THR 79 Cb 0.46 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1j8i n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j8i n GLY 80 N 1.86 1.34 0.00 3.38 0.00 -1.26 -5.13 105.19 105.39 1j8i n GLY 80 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -3.80 2.61 5.66 -1.26 -5.19 114.28 112.29 1j8i n THR 81 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1j8i n THR 81 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1j8i n THR 81 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1j8i s GLN 82 N 4.96 1.48 0.28 1.09 0.74 -1.26 -5.18 119.66 121.76 1j8i s GLN 82 Ca 0.00 -0.84 0.08 0.00 0.05 0.00 0.00 55.36 54.65 1j8i s GLN 82 Cb 0.00 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.56 1j8i s GLN 82 CO 0.00 -0.68 0.17 -1.14 -0.55 0.00 0.00 175.29 173.09 1j8i s GLN 83 N -3.39 2.73 0.02 1.67 2.00 -1.26 -5.13 119.66 116.29 1j8i s GLN 83 Ca 0.13 -1.20 -0.28 0.00 -2.00 0.00 0.00 55.36 52.01 1j8i s GLN 83 Cb -0.03 -2.44 0.07 0.00 0.80 0.00 0.00 33.01 31.40 1j8i s GLN 83 CO 0.05 0.32 0.63 -1.54 -0.50 0.00 0.00 175.29 174.25 1j8i s SER 84 N -3.84 -0.60 0.00 6.67 1.04 -1.26 -5.18 113.70 110.53 1j8i s SER 84 Ca 0.34 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1j8i s SER 84 Cb -0.07 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1j8i s SER 84 CO 0.24 -0.71 0.00 1.07 0.98 0.00 0.00 173.24 174.82 1j8i n THR 85 N 0.53 0.00 -3.60 2.02 5.66 -1.26 -5.17 114.28 112.47 1j8i n THR 85 Ca -0.18 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.76 1j8i n THR 85 Cb 0.59 -0.42 -0.02 0.00 -1.55 0.00 0.00 70.33 68.93 1j8i n THR 85 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1j8i s ASN 86 N -0.26 -0.26 0.31 1.09 -0.87 -1.26 -5.19 114.94 108.52 1j8i s ASN 86 Ca 0.00 -0.13 0.06 0.00 -1.57 0.00 0.00 52.86 51.22 1j8i s ASN 86 Cb 0.00 0.37 -0.06 0.00 -0.02 0.00 0.00 41.25 41.54 1j8i s ASN 86 CO 0.00 -0.63 -0.03 0.42 -2.57 0.00 0.00 177.10 174.28 1j8i s THR 87 N -3.03 1.67 0.00 1.60 -4.23 -1.26 -5.12 115.64 105.27 1j8i s THR 87 Ca 0.08 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1j8i s THR 87 Cb -0.01 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1j8i s THR 87 CO -0.05 -0.19 0.00 0.00 -0.54 0.00 0.00 174.62 173.84 1j8i n ALA 88 N -0.68 0.00 -3.80 3.99 0.00 -1.26 -5.15 120.51 113.62 1j8i n ALA 88 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1j8i n ALA 88 Cb 0.64 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.92 1j8i n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1j8i s VAL 89 N 0.00 0.65 0.09 0.00 0.11 -1.26 -5.14 120.40 114.86 1j8i s VAL 89 Ca 0.00 -0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.02 1j8i s VAL 89 Cb 0.00 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1j8i s VAL 89 CO 0.00 0.30 0.06 -0.89 -3.33 0.00 0.00 175.10 171.24 1j8i s THR 90 N 1.73 4.38 -0.21 5.04 2.01 -1.26 -5.10 115.64 122.23 1j8i s THR 90 Ca 0.03 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 1j8i s THR 90 Cb -0.13 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1j8i s THR 90 CO -0.06 0.09 0.11 -0.22 -0.69 0.00 0.00 174.62 173.86 1j8i s LEU 91 N -2.46 3.96 0.37 4.42 2.96 -1.26 -5.05 118.68 121.61 1j8i s LEU 91 Ca 0.29 0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 54.05 1j8i s LEU 91 Cb -0.12 -2.03 -0.14 0.00 0.50 0.00 0.00 46.19 44.40 1j8i s LEU 91 CO 0.21 0.12 0.50 1.07 -1.32 0.00 0.00 176.35 176.94 1j8i n THR 92 N 3.92 1.62 0.00 3.68 5.66 -1.26 -5.37 114.28 122.52 1j8i n THR 92 Ca -0.16 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 1j8i n THR 92 Cb 0.52 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 1j8i n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63