#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j24 s VAL 5 N 0.00 4.67 -0.13 1.61 0.11 -1.26 -4.89 120.40 120.51 1j24 s VAL 5 Ca 0.00 1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 60.05 1j24 s VAL 5 Cb 0.00 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 31.13 1j24 s VAL 5 CO 0.00 -0.03 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.11 1j24 s LYS 6 N -2.59 3.36 -0.02 1.54 1.02 -1.26 -0.77 119.74 121.03 1j24 s LYS 6 Ca 0.49 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.88 1j24 s LYS 6 Cb -0.13 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1j24 s LYS 6 CO 0.19 0.29 -0.07 0.08 -0.92 0.00 0.00 175.35 174.92 1j24 s VAL 7 N 0.18 0.62 -0.10 3.17 1.01 -0.69 -4.87 120.40 119.73 1j24 s VAL 7 Ca -0.05 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1j24 s VAL 7 Cb -0.15 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1j24 s VAL 7 CO 0.04 0.19 0.44 -0.69 0.00 0.00 0.00 175.10 175.09 1j24 s VAL 8 N 0.10 5.16 -0.03 2.92 1.01 -0.74 -1.78 120.40 127.05 1j24 s VAL 8 Ca -0.01 0.89 0.07 0.00 0.00 0.00 0.00 61.98 62.93 1j24 s VAL 8 Cb -0.06 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1j24 s VAL 8 CO -0.00 0.38 -0.25 0.54 0.00 0.00 0.00 175.10 175.77 1j24 s VAL 9 N 0.28 1.96 0.25 2.92 0.11 -0.14 -0.49 120.40 125.29 1j24 s VAL 9 Ca 0.24 -1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 57.95 1j24 s VAL 9 Cb -0.15 -1.63 -0.09 0.00 -1.53 0.00 0.00 36.38 32.98 1j24 s VAL 9 CO 0.10 0.55 1.22 -0.62 -3.33 0.00 0.00 175.10 173.02 1j24 s ASP 10 N -0.50 7.03 0.36 3.54 -1.08 -0.20 -1.68 116.67 124.14 1j24 s ASP 10 Ca 0.07 2.39 0.17 0.00 -0.52 0.00 0.00 52.55 54.67 1j24 s ASP 10 Cb -0.10 -2.62 1.17 0.00 -1.46 0.00 0.00 42.92 39.90 1j24 s ASP 10 CO -0.00 -0.37 1.65 0.77 0.52 0.00 0.00 175.17 177.74 1j24 h SER 11 N 4.35 0.46 0.43 -0.34 4.64 -0.75 0.95 113.55 123.29 1j24 h SER 11 Ca -0.46 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1j24 h SER 11 Cb 1.22 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1j24 h SER 11 CO 0.70 -0.17 0.00 0.03 -0.87 0.00 0.00 176.83 176.52 1j24 h ARG 12 N 0.26 0.00 0.00 4.77 3.08 -1.91 -2.19 114.38 118.39 1j24 h ARG 12 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.81 1j24 h ARG 12 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1j24 h ARG 12 CO -0.60 0.00 -1.07 0.39 -1.07 0.00 0.00 179.97 177.63 1j24 n GLU 13 N -2.47 0.13 -0.33 0.04 -0.58 0.32 -4.67 120.64 113.09 1j24 n GLU 13 Ca 0.00 -0.03 0.16 0.00 -0.42 0.00 0.00 57.16 56.87 1j24 n GLU 13 Cb 0.15 -1.52 0.32 0.00 -0.57 0.00 0.00 31.44 29.82 1j24 n GLU 13 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1j24 h LEU 14 N 0.00 -0.33 -3.74 -4.62 5.85 -1.38 -0.57 115.31 110.52 1j24 h LEU 14 Ca 0.00 0.26 -0.22 0.00 0.84 0.00 0.00 57.88 58.76 1j24 h LEU 14 Cb 0.60 0.43 -0.13 0.00 0.37 0.00 0.00 40.66 41.93 1j24 h LEU 14 CO 0.00 -0.33 0.28 0.54 -0.34 0.00 0.00 178.44 178.58 1j24 n ARG 15 N -5.42 3.68 -2.13 1.25 1.74 -1.26 -4.79 116.66 109.73 1j24 n ARG 15 Ca 0.24 -3.10 -0.28 0.00 -0.77 0.00 0.00 57.85 53.94 1j24 n ARG 15 Cb 0.80 -2.21 0.04 0.00 -1.02 0.00 0.00 32.46 30.06 1j24 n ARG 15 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1j24 s SER 16 N -1.07 5.44 0.44 0.55 1.04 -0.22 -4.96 113.70 114.91 1j24 s SER 16 Ca 0.55 0.90 0.28 0.00 0.48 0.00 0.00 55.95 58.16 1j24 s SER 16 Cb 0.44 -1.76 0.93 0.00 0.10 0.00 0.00 66.02 65.73 1j24 s SER 16 CO 0.13 -1.26 1.81 -0.33 0.98 0.00 0.00 173.24 174.57 1j24 h GLU 17 N -0.46 0.00 -0.15 4.02 4.39 -1.93 -2.58 114.58 117.87 1j24 h GLU 17 Ca -0.45 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 1j24 h GLU 17 Cb 1.26 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1j24 h GLU 17 CO 0.62 0.00 -0.05 0.28 -1.16 0.00 0.00 179.01 178.71 1j24 h VAL 18 N 0.00 1.30 -0.68 3.13 2.07 -1.90 -1.96 116.25 118.21 1j24 h VAL 18 Ca 0.00 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 1j24 h VAL 18 Cb 0.67 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1j24 h VAL 18 CO 0.00 0.30 0.25 0.58 0.02 0.00 0.00 177.57 178.72 1j24 h VAL 19 N -0.02 1.24 -0.41 2.57 2.07 -1.74 -0.21 116.25 119.75 1j24 h VAL 19 Ca 0.04 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1j24 h VAL 19 Cb 0.49 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1j24 h VAL 19 CO 0.02 0.31 0.26 0.50 0.02 0.00 0.00 177.57 178.68 1j24 h LYS 20 N 0.99 0.54 -0.47 1.57 3.64 -1.33 -0.45 116.57 121.06 1j24 h LYS 20 Ca 0.23 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1j24 h LYS 20 Cb 0.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1j24 h LYS 20 CO -0.02 0.36 -0.21 -0.09 -2.27 0.00 0.00 179.45 177.23 1j24 h ARG 21 N 0.55 0.97 -0.78 1.90 9.65 -0.94 -1.43 114.38 124.29 1j24 h ARG 21 Ca 0.15 -0.40 0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1j24 h ARG 21 Cb -0.05 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 1j24 h ARG 21 CO -0.03 1.07 0.51 -0.07 2.80 0.00 0.00 179.97 184.25 1j24 h LEU 22 N 0.84 0.86 -0.73 3.80 3.38 -0.73 0.26 115.31 122.98 1j24 h LEU 22 Ca 0.11 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1j24 h LEU 22 Cb 0.78 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1j24 h LEU 22 CO 0.06 0.60 0.09 0.11 0.09 0.00 0.00 178.44 179.40 1j24 h LYS 23 N 1.01 1.06 -0.18 1.13 1.57 -0.83 -1.34 116.57 118.99 1j24 h LYS 23 Ca 0.30 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1j24 h LYS 23 Cb -0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1j24 h LYS 23 CO -0.09 0.98 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.61 1j24 h LEU 24 N 0.99 0.26 0.00 2.94 3.38 -0.50 -1.48 115.31 120.90 1j24 h LEU 24 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1j24 h LEU 24 Cb 0.44 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1j24 h LEU 24 CO 0.01 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.11 1j24 n LEU 25 N -4.29 0.00 0.00 1.67 4.77 0.01 -4.89 117.00 114.26 1j24 n LEU 25 Ca -0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1j24 n LEU 25 Cb 0.25 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1j24 n LEU 25 CO 0.38 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1j24 n GLY 26 N 0.88 0.70 3.75 -0.72 0.00 -0.56 -5.00 105.19 104.25 1j24 n GLY 26 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1j24 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j24 s VAL 27 N -2.12 3.25 -0.41 1.61 1.01 -0.56 -4.41 120.40 118.77 1j24 s VAL 27 Ca 0.00 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 1j24 s VAL 27 Cb 0.00 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1j24 s VAL 27 CO 0.00 0.24 0.46 -0.54 0.00 0.00 0.00 175.10 175.26 1j24 s LYS 28 N -1.04 3.22 -0.13 2.72 3.01 0.05 -4.50 119.74 123.07 1j24 s LYS 28 Ca 0.50 -0.62 -0.11 0.00 -1.01 0.00 0.00 55.97 54.72 1j24 s LYS 28 Cb -0.35 -3.93 -0.05 0.00 -1.01 0.00 0.00 37.83 32.49 1j24 s LYS 28 CO 0.43 -0.81 0.23 -0.51 0.51 0.00 0.00 175.35 175.20 1j24 s LEU 29 N 2.22 4.31 -0.18 3.17 1.43 -1.26 -1.70 118.68 126.67 1j24 s LEU 29 Ca 0.14 0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1j24 s LEU 29 Cb -0.17 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1j24 s LEU 29 CO 0.14 0.24 -0.09 -0.70 0.23 0.00 0.00 176.35 176.17 1j24 s GLU 30 N -0.20 3.36 -0.01 1.70 2.12 -0.73 -4.98 118.70 119.95 1j24 s GLU 30 Ca 0.15 -0.66 -0.20 0.00 0.36 0.00 0.00 54.97 54.63 1j24 s GLU 30 Cb -0.13 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 1j24 s GLU 30 CO 0.04 -0.02 0.56 0.08 -0.54 0.00 0.00 175.26 175.38 1j24 s VAL 31 N 0.99 4.92 0.10 3.70 1.01 -1.26 -0.96 120.40 128.90 1j24 s VAL 31 Ca -0.01 1.18 -0.07 0.00 0.00 0.00 0.00 61.98 63.08 1j24 s VAL 31 Cb -0.15 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1j24 s VAL 31 CO -0.01 0.44 0.18 -0.54 0.00 0.00 0.00 175.10 175.17 1j24 s LYS 32 N -0.30 0.89 -0.44 2.72 1.02 -0.67 -4.94 119.74 118.00 1j24 s LYS 32 Ca 0.30 -1.07 -0.10 0.00 0.02 0.00 0.00 55.97 55.12 1j24 s LYS 32 Cb -0.18 0.33 0.09 0.00 -0.52 0.00 0.00 37.83 37.55 1j24 s LYS 32 CO 0.16 -0.28 0.31 0.99 -0.92 0.00 0.00 175.35 175.61 1j24 s THR 33 N -3.90 4.43 0.03 2.17 2.01 -1.26 0.04 115.64 119.16 1j24 s THR 33 Ca 0.09 -1.43 -0.19 0.00 0.31 0.00 0.00 61.69 60.47 1j24 s THR 33 Cb 0.05 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 1j24 s THR 33 CO -0.08 -0.59 0.55 -0.76 -0.69 0.00 0.00 174.62 173.05 1j24 s LEU 34 N 1.45 4.48 0.23 4.42 1.43 -1.26 -4.98 118.68 124.45 1j24 s LEU 34 Ca 0.04 1.17 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1j24 s LEU 34 Cb -0.24 -2.84 0.21 0.00 0.03 0.00 0.00 46.19 43.35 1j24 s LEU 34 CO 0.02 0.23 1.54 0.44 0.23 0.00 0.00 176.35 178.81 1j24 h ASP 35 N 4.93 0.31 -3.72 2.29 5.19 -2.05 -3.44 116.42 119.92 1j24 h ASP 35 Ca -0.48 -0.18 -0.21 0.00 -0.62 0.00 0.00 57.03 55.53 1j24 h ASP 35 Cb 1.21 -0.09 -0.28 0.00 0.18 0.00 0.00 39.33 40.35 1j24 h ASP 35 CO 0.65 0.85 -0.61 0.54 -3.12 0.00 0.00 179.24 177.56 1j24 s VAL 36 N -3.74 -0.01 0.00 -1.35 0.11 -1.26 -5.12 120.40 109.03 1j24 s VAL 36 Ca -0.04 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1j24 s VAL 36 Cb 0.12 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.81 1j24 s VAL 36 CO 0.80 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 173.20 1j24 n GLY 37 N 3.19 0.54 0.04 6.54 0.00 -1.26 -4.97 105.19 109.27 1j24 n GLY 37 Ca -0.14 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 1j24 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j24 n ASP 38 N -0.64 3.27 -3.76 1.61 8.00 -0.03 -4.76 116.55 120.24 1j24 n ASP 38 Ca 0.00 -0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.28 1j24 n ASP 38 Cb 0.00 0.36 -0.17 0.00 -0.02 0.00 0.00 41.12 41.29 1j24 n ASP 38 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1j24 s TYR 39 N -2.18 0.42 -0.23 1.24 2.02 -0.75 -1.03 117.35 116.84 1j24 s TYR 39 Ca -0.07 -0.01 -0.07 0.00 -0.37 0.00 0.00 57.07 56.55 1j24 s TYR 39 Cb 0.03 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 1j24 s TYR 39 CO 0.26 -0.24 0.06 0.42 -1.57 0.00 0.00 175.55 174.48 1j24 s ILE 40 N 1.76 4.40 -0.16 2.71 -1.09 0.35 0.33 121.20 129.50 1j24 s ILE 40 Ca 0.01 -0.15 -0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1j24 s ILE 40 Cb -0.13 -3.03 -0.23 0.00 -1.58 0.00 0.00 42.46 37.49 1j24 s ILE 40 CO -0.04 0.37 0.19 -0.38 -1.23 0.00 0.00 174.94 173.86 1j24 n ILE 41 N 4.53 1.67 -3.81 2.92 2.08 0.02 -1.79 119.36 124.97 1j24 n ILE 41 Ca -0.16 -0.65 -0.10 0.00 0.56 0.00 0.00 62.75 62.40 1j24 n ILE 41 Cb 0.52 -1.55 -0.00 0.00 -0.75 0.00 0.00 39.64 37.86 1j24 n ILE 41 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1j24 n SER 42 N -3.36 -1.48 0.31 4.38 3.41 -0.81 -4.93 113.62 111.13 1j24 n SER 42 Ca -0.35 -2.44 0.18 0.00 -0.26 0.00 0.00 58.87 56.00 1j24 n SER 42 Cb 1.03 2.59 0.98 0.00 -0.26 0.00 0.00 64.21 68.56 1j24 n SER 42 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j24 h GLU 43 N 0.00 0.00 0.00 4.33 3.07 -2.01 -3.16 114.58 116.81 1j24 h GLU 43 Ca -0.25 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.40 1j24 h GLU 43 Cb 0.99 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.86 1j24 h GLU 43 CO 0.32 0.03 -1.82 -0.25 -1.40 0.00 0.00 179.01 175.89 1j24 n ASP 44 N -3.42 2.58 -4.62 1.42 8.00 -1.26 -4.69 116.55 114.56 1j24 n ASP 44 Ca -0.02 -0.05 -0.39 0.00 0.71 0.00 0.00 54.79 55.04 1j24 n ASP 44 Cb 0.13 0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.32 1j24 n ASP 44 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1j24 s VAL 45 N -2.29 5.15 0.03 2.53 1.01 -1.19 -1.15 120.40 124.49 1j24 s VAL 45 Ca -0.14 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1j24 s VAL 45 Cb 0.04 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1j24 s VAL 45 CO 0.39 0.16 -0.08 0.00 0.00 0.00 0.00 175.10 175.57 1j24 s ALA 46 N 1.98 0.64 -0.08 5.51 0.00 -1.22 -0.80 121.76 127.78 1j24 s ALA 46 Ca 0.18 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1j24 s ALA 46 Cb -0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1j24 s ALA 46 CO 0.09 0.07 -0.21 0.42 0.00 0.00 0.00 175.76 176.13 1j24 s ILE 47 N -0.87 2.41 -0.25 0.00 1.01 0.15 -0.59 121.20 123.07 1j24 s ILE 47 Ca -0.04 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 1j24 s ILE 47 Cb -0.07 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 1j24 s ILE 47 CO 0.00 0.56 0.01 -0.70 0.00 0.00 0.00 174.94 174.82 1j24 s GLU 48 N 0.02 3.30 -0.21 2.79 2.56 0.14 -0.85 118.70 126.45 1j24 s GLU 48 Ca -0.07 -0.69 -0.18 0.00 0.00 0.00 0.00 54.97 54.02 1j24 s GLU 48 Cb -0.15 -3.18 -0.03 0.00 2.00 0.00 0.00 34.13 32.77 1j24 s GLU 48 CO 0.05 -0.29 0.50 0.50 -0.56 0.00 0.00 175.26 175.47 1j24 s ARG 49 N 1.50 4.18 -0.04 4.30 3.52 -1.26 -1.09 118.95 130.05 1j24 s ARG 49 Ca 0.04 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 1j24 s ARG 49 Cb -0.15 -3.57 0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1j24 s ARG 49 CO -0.00 -0.15 -0.01 0.21 -0.81 0.00 0.00 175.30 174.53 1j24 s LYS 50 N 1.64 0.54 0.67 5.12 2.20 -0.36 -4.98 119.74 124.58 1j24 s LYS 50 Ca 0.23 0.03 -0.15 0.00 -0.36 0.00 0.00 55.97 55.73 1j24 s LYS 50 Cb -0.15 -0.72 0.00 0.00 -1.51 0.00 0.00 37.83 35.45 1j24 s LYS 50 CO 0.09 -0.16 1.10 -1.54 -0.36 0.00 0.00 175.35 174.48 1j24 s SER 51 N 1.25 5.10 0.25 1.43 1.04 -1.26 -0.45 113.70 121.06 1j24 s SER 51 Ca -0.06 1.96 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 1j24 s SER 51 Cb -0.13 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 63.82 1j24 s SER 51 CO -0.02 -1.63 1.85 0.00 0.98 0.00 0.00 173.24 174.42 1j24 h ALA 52 N -0.07 1.25 -0.66 5.32 0.00 -1.12 -0.83 119.26 123.15 1j24 h ALA 52 Ca -0.46 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1j24 h ALA 52 Cb 1.24 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1j24 h ALA 52 CO 0.54 0.27 0.26 -0.91 0.00 0.00 0.00 179.25 179.41 1j24 h ASN 53 N 0.98 0.92 0.29 0.00 2.35 -1.88 -1.21 115.58 117.02 1j24 h ASN 53 Ca 0.40 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1j24 h ASN 53 Cb 0.23 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1j24 h ASN 53 CO -0.19 0.84 -0.42 0.44 -1.65 0.00 0.00 177.43 176.45 1j24 h ASP 54 N 0.93 0.18 -0.07 5.81 3.32 -1.74 -0.27 116.42 124.59 1j24 h ASP 54 Ca 0.22 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1j24 h ASP 54 Cb 0.22 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1j24 h ASP 54 CO -0.02 0.58 0.01 0.25 -1.72 0.00 0.00 179.24 178.34 1j24 h LEU 55 N 0.14 0.11 -0.65 1.55 5.85 -0.78 -0.45 115.31 121.08 1j24 h LEU 55 Ca 0.01 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1j24 h LEU 55 Cb 0.80 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1j24 h LEU 55 CO 0.06 0.33 0.41 0.40 -0.34 0.00 0.00 178.44 179.30 1j24 h ILE 56 N -0.12 1.10 -0.84 4.05 1.08 -1.02 -1.73 117.51 120.03 1j24 h ILE 56 Ca 0.02 -0.28 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1j24 h ILE 56 Cb 0.27 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 1j24 h ILE 56 CO 0.00 0.15 0.41 -0.61 -0.69 0.00 0.00 178.15 177.41 1j24 h GLN 57 N 0.81 1.20 0.00 2.37 5.75 -0.87 -0.58 115.11 123.79 1j24 h GLN 57 Ca 0.26 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1j24 h GLN 57 Cb -0.00 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 1j24 h GLN 57 CO -0.09 0.91 -0.20 0.66 -2.65 0.00 0.00 178.83 177.46 1j24 h SER 58 N 1.19 0.00 0.04 -0.69 4.64 -0.40 0.48 113.55 118.80 1j24 h SER 58 Ca 0.29 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.41 1j24 h SER 58 Cb 0.10 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1j24 h SER 58 CO -0.04 0.20 -0.79 0.40 -0.87 0.00 0.00 176.83 175.73 1j24 h ILE 59 N 0.00 1.40 -0.48 0.95 2.04 -0.60 0.14 117.51 120.96 1j24 h ILE 59 Ca -0.00 -2.22 0.01 0.00 1.00 0.00 0.00 64.86 63.65 1j24 h ILE 59 Cb 0.48 2.67 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 1j24 h ILE 59 CO 0.03 0.66 0.30 0.40 0.00 0.00 0.00 178.15 179.53 1j24 h ILE 60 N -0.01 1.08 -0.02 -0.67 2.04 -0.52 -2.35 117.51 117.06 1j24 h ILE 60 Ca -0.11 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1j24 h ILE 60 Cb 1.51 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1j24 h ILE 60 CO 0.15 0.11 0.00 0.47 0.00 0.00 0.00 178.15 178.88 1j24 n ASP 61 N -4.79 1.00 -2.45 1.72 8.00 0.10 -4.94 116.55 115.20 1j24 n ASP 61 Ca 0.02 -1.35 -0.20 0.00 0.71 0.00 0.00 54.79 53.98 1j24 n ASP 61 Cb 0.05 -0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 1j24 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j24 n GLY 62 N 1.11 -0.41 0.50 0.44 0.00 -0.47 -4.90 105.19 101.46 1j24 n GLY 62 Ca 0.20 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1j24 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j24 n GLY 63 N -1.24 0.05 0.14 -0.02 0.00 0.36 -4.64 105.19 99.85 1j24 n GLY 63 Ca -0.16 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1j24 n GLY 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j24 h LEU 64 N 2.45 0.32 -1.16 0.99 5.85 -1.84 -2.31 115.31 119.61 1j24 h LEU 64 Ca 0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1j24 h LEU 64 Cb 0.59 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1j24 h LEU 64 CO 0.00 0.23 -0.05 -0.26 -0.34 0.00 0.00 178.44 178.02 1j24 h PHE 65 N 0.38 0.55 -0.63 1.25 0.04 -1.89 -1.03 116.94 115.62 1j24 h PHE 65 Ca 0.11 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 1j24 h PHE 65 Cb -0.03 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1j24 h PHE 65 CO -0.06 0.58 0.06 -0.44 -0.60 0.00 0.00 178.31 177.84 1j24 h ASP 66 N 0.50 1.02 -0.47 2.17 3.32 -1.82 -1.07 116.42 120.07 1j24 h ASP 66 Ca 0.10 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1j24 h ASP 66 Cb 0.40 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1j24 h ASP 66 CO 0.02 1.04 0.24 1.56 -1.72 0.00 0.00 179.24 180.38 1j24 h GLN 67 N 0.98 0.66 -0.47 3.56 4.20 -0.75 -1.34 115.11 121.95 1j24 h GLN 67 Ca 0.19 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 1j24 h GLN 67 Cb 0.48 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1j24 h GLN 67 CO 0.02 0.54 -0.13 0.28 -0.67 0.00 0.00 178.83 178.87 1j24 h VAL 68 N 0.62 1.26 -0.56 -0.54 2.07 -1.05 -1.94 116.25 116.10 1j24 h VAL 68 Ca 0.16 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1j24 h VAL 68 Cb 0.08 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1j24 h VAL 68 CO -0.02 0.43 0.37 0.50 0.02 0.00 0.00 177.57 178.87 1j24 h LYS 69 N 0.79 0.74 -0.66 1.57 3.64 -0.91 -0.40 116.57 121.34 1j24 h LYS 69 Ca 0.12 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1j24 h LYS 69 Cb 0.66 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1j24 h LYS 69 CO 0.05 0.49 0.26 -0.09 -2.27 0.00 0.00 179.45 177.89 1j24 h ARG 70 N 0.76 0.97 -0.15 1.90 2.43 -1.00 -0.99 114.38 118.30 1j24 h ARG 70 Ca 0.21 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1j24 h ARG 70 Cb -0.08 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1j24 h ARG 70 CO -0.04 0.79 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.09 1j24 h LEU 71 N 0.95 0.30 -1.48 3.80 3.38 -0.81 -2.71 115.31 118.74 1j24 h LEU 71 Ca 0.22 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1j24 h LEU 71 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1j24 h LEU 71 CO -0.02 0.62 -0.04 0.11 0.09 0.00 0.00 178.44 179.20 1j24 h LYS 72 N -0.01 0.29 0.00 1.13 1.57 -0.85 -0.70 116.57 118.00 1j24 h LYS 72 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1j24 h LYS 72 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1j24 h LYS 72 CO 0.02 0.35 0.00 0.93 -0.57 0.00 0.00 179.45 180.18 1j24 h GLU 73 N 0.28 0.00 0.00 3.15 5.08 -1.12 -3.26 114.58 118.71 1j24 h GLU 73 Ca 0.06 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.18 1j24 h GLU 73 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1j24 h GLU 73 CO 0.01 0.00 -2.06 0.00 -1.00 0.00 0.00 179.01 175.96 1j24 n ALA 74 N -2.05 1.88 -3.33 3.43 0.00 -0.85 -4.95 120.51 114.64 1j24 n ALA 74 Ca 0.03 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 1j24 n ALA 74 Cb 0.44 -0.51 -0.15 0.00 0.00 0.00 0.00 19.45 19.23 1j24 n ALA 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1j24 s TYR 75 N -2.82 -0.03 0.31 0.00 2.02 -0.33 -5.02 117.35 111.49 1j24 s TYR 75 Ca -0.08 0.16 0.18 0.00 -0.37 0.00 0.00 57.07 56.96 1j24 s TYR 75 Cb 0.08 -0.09 0.86 0.00 -0.40 0.00 0.00 41.96 42.41 1j24 s TYR 75 CO 0.84 -0.06 1.85 0.66 -1.57 0.00 0.00 175.55 177.27 1j24 h SER 76 N 6.68 0.00 -2.12 2.29 4.64 -1.76 -3.34 113.55 119.94 1j24 h SER 76 Ca -0.35 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.41 1j24 h SER 76 Cb 1.17 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.85 1j24 h SER 76 CO 0.48 0.32 -0.87 0.54 -0.87 0.00 0.00 176.83 176.43 1j24 n ARG 77 N -3.81 1.84 -1.94 4.77 1.74 -0.30 -5.05 116.66 113.91 1j24 n ARG 77 Ca -0.01 -4.04 -0.32 0.00 -0.77 0.00 0.00 57.85 52.70 1j24 n ARG 77 Cb 0.41 -1.84 0.02 0.00 -1.02 0.00 0.00 32.46 30.02 1j24 n ARG 77 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j24 s PRO 78 N -2.28 3.27 -0.00 5.56 0.04 -1.25 -3.40 135.00 136.93 1j24 s PRO 78 Ca 0.40 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1j24 s PRO 78 Cb 0.22 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1j24 s PRO 78 CO -0.08 -0.85 -0.02 0.42 0.04 0.00 0.00 177.00 176.52 1j24 s ILE 79 N -2.63 0.15 -0.20 0.56 1.01 0.24 -4.21 121.20 116.12 1j24 s ILE 79 Ca 0.62 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 1j24 s ILE 79 Cb -0.15 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 1j24 s ILE 79 CO 0.41 0.05 -0.07 -0.04 0.00 0.00 0.00 174.94 175.29 1j24 s MET 80 N 0.06 3.36 -0.35 2.79 -1.94 -0.34 -0.69 119.30 122.20 1j24 s MET 80 Ca -0.00 -0.65 -0.08 0.00 -1.71 0.00 0.00 55.69 53.25 1j24 s MET 80 Cb -0.02 -2.90 0.03 0.00 2.01 0.00 0.00 34.83 33.95 1j24 s MET 80 CO -0.00 -0.10 0.14 0.42 -0.01 0.00 0.00 175.02 175.46 1j24 s ILE 81 N 1.20 4.06 -0.31 2.53 1.01 -0.25 -0.57 121.20 128.88 1j24 s ILE 81 Ca 0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 1j24 s ILE 81 Cb -0.14 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 1j24 s ILE 81 CO -0.02 -0.17 0.62 -0.69 0.00 0.00 0.00 174.94 174.68 1j24 s VAL 82 N 1.46 4.95 -0.26 2.92 1.01 -0.13 -1.22 120.40 129.13 1j24 s VAL 82 Ca -0.00 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 62.71 1j24 s VAL 82 Cb -0.19 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1j24 s VAL 82 CO 0.04 -0.14 0.13 -0.70 0.00 0.00 0.00 175.10 174.43 1j24 s GLU 83 N 2.59 3.80 0.00 2.72 2.12 0.41 -0.83 118.70 129.50 1j24 s GLU 83 Ca 0.25 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.17 1j24 s GLU 83 Cb -0.15 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.76 1j24 s GLU 83 CO 0.12 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 1j24 n GLY 84 N 4.97 2.58 3.75 -1.50 0.00 0.51 -0.62 105.19 114.88 1j24 n GLY 84 Ca -0.15 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 1j24 n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j24 s SER 85 N 0.00 7.53 0.00 1.61 0.15 -1.26 -4.62 113.70 117.11 1j24 s SER 85 Ca 0.00 2.03 0.23 0.00 0.70 0.00 0.00 55.95 58.91 1j24 s SER 85 Cb 0.00 -2.61 0.15 0.00 -1.71 0.00 0.00 66.02 61.85 1j24 s SER 85 CO 0.00 0.05 1.19 0.18 1.20 0.00 0.00 173.24 175.86 1j24 n LEU 86 N 1.55 1.88 -4.88 3.45 4.77 -1.26 -4.83 117.00 117.68 1j24 n LEU 86 Ca -0.01 -0.67 -0.31 0.00 -0.03 0.00 0.00 56.01 54.98 1j24 n LEU 86 Cb 0.47 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1j24 n LEU 86 CO 0.51 0.35 0.30 -0.31 -1.33 0.00 0.00 177.39 176.91 1j24 s TYR 87 N -2.46 3.43 0.00 -1.77 2.02 -1.26 -3.93 117.35 113.38 1j24 s TYR 87 Ca 0.20 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 1j24 s TYR 87 Cb 0.18 -2.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1j24 s TYR 87 CO 0.55 0.14 0.00 0.41 -1.57 0.00 0.00 175.55 175.08 1j24 n GLY 88 N -0.56 0.93 3.46 0.71 0.00 -1.26 -4.91 105.19 103.56 1j24 n GLY 88 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1j24 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j24 s ILE 89 N -2.62 4.88 0.00 -0.61 -1.09 -1.25 -5.00 121.20 115.50 1j24 s ILE 89 Ca 0.00 -2.15 0.00 0.00 -2.23 0.00 0.00 60.65 56.27 1j24 s ILE 89 Cb 0.00 -4.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.02 1j24 s ILE 89 CO 0.00 -1.58 0.00 0.54 -1.23 0.00 0.00 174.94 172.67 1j24 n ARG 90 N 6.09 0.76 -1.08 2.79 3.00 -1.26 -4.40 116.66 122.56 1j24 n ARG 90 Ca 0.31 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 58.12 1j24 n ARG 90 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.91 1j24 n ARG 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1j24 n ASN 91 N -0.40 -4.25 -3.64 0.55 5.03 -1.26 -4.94 115.26 106.34 1j24 n ASN 91 Ca 0.00 0.07 -0.06 0.00 0.87 0.00 0.00 54.58 55.46 1j24 n ASN 91 Cb 0.00 -1.99 -0.07 0.00 -1.02 0.00 0.00 39.78 36.71 1j24 n ASN 91 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1j24 s VAL 92 N -1.79 0.00 0.31 2.41 0.11 -1.26 -5.05 120.40 115.13 1j24 s VAL 92 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 1j24 s VAL 92 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1j24 s VAL 92 CO 0.00 0.00 1.17 -2.28 -3.33 0.00 0.00 175.10 170.66 1j24 s HIS 93 N 0.70 3.36 0.38 1.54 2.46 -1.26 -4.92 115.29 117.55 1j24 s HIS 93 Ca -0.02 1.59 0.15 0.00 0.47 0.00 0.00 55.06 57.25 1j24 s HIS 93 Cb -0.04 -3.42 1.00 0.00 -0.13 0.00 0.00 32.58 29.99 1j24 s HIS 93 CO -0.11 -1.05 1.80 -1.35 -2.47 0.00 0.00 174.74 171.56 1j24 h PRO 94 N 3.55 0.48 0.00 2.88 0.11 -1.98 0.44 132.00 137.48 1j24 h PRO 94 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1j24 h PRO 94 Cb 1.22 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j24 h PRO 94 CO 0.66 0.32 -0.06 -0.91 -0.21 0.00 0.00 178.00 177.80 1j24 h ASN 95 N 0.49 0.00 -0.33 -2.05 2.35 -1.98 0.82 115.58 114.88 1j24 h ASN 95 Ca 0.55 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.16 1j24 h ASN 95 Cb 1.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 1j24 h ASN 95 CO -0.28 0.06 -0.35 0.00 -1.65 0.00 0.00 177.43 175.21 1j24 h ALA 96 N 1.94 0.49 -0.09 -0.83 0.00 -1.27 0.18 119.26 119.67 1j24 h ALA 96 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1j24 h ALA 96 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j24 h ALA 96 CO 0.01 0.57 -0.14 0.82 0.00 0.00 0.00 179.25 180.51 1j24 h ILE 97 N 0.61 1.38 -0.50 0.00 2.04 -1.33 -2.26 117.51 117.46 1j24 h ILE 97 Ca 0.05 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.56 1j24 h ILE 97 Cb 0.94 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 1j24 h ILE 97 CO 0.09 0.39 0.30 0.03 0.00 0.00 0.00 178.15 178.96 1j24 h ARG 98 N -0.18 0.59 -0.83 2.37 3.08 -0.85 -1.05 114.38 117.50 1j24 h ARG 98 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1j24 h ARG 98 Cb 0.69 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1j24 h ARG 98 CO 0.03 0.39 0.48 0.78 -1.07 0.00 0.00 179.97 180.59 1j24 h GLY 99 N 0.61 1.22 0.85 0.04 0.00 -0.66 -0.11 103.07 105.02 1j24 h GLY 99 Ca 0.20 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1j24 h GLY 99 CO -0.08 0.51 0.05 0.00 0.00 0.00 0.00 176.54 177.02 1j24 h ALA 100 N 1.26 0.21 -0.31 3.60 0.00 -1.01 -0.79 119.26 122.22 1j24 h ALA 100 Ca 0.30 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1j24 h ALA 100 Cb -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1j24 h ALA 100 CO -0.05 -0.17 0.15 0.82 0.00 0.00 0.00 179.25 179.99 1j24 h ILE 101 N 0.07 0.98 -0.78 0.00 2.04 -0.92 -0.95 117.51 117.94 1j24 h ILE 101 Ca 0.05 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1j24 h ILE 101 Cb 0.23 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1j24 h ILE 101 CO -0.00 0.06 0.45 0.00 0.00 0.00 0.00 178.15 178.66 1j24 h ALA 102 N 1.17 1.00 -0.20 1.87 0.00 -0.91 -1.44 119.26 120.75 1j24 h ALA 102 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j24 h ALA 102 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j24 h ALA 102 CO -0.10 0.48 0.08 0.00 0.00 0.00 0.00 179.25 179.72 1j24 h ALA 103 N 1.24 0.26 -0.25 0.00 0.00 -0.63 0.39 119.26 120.27 1j24 h ALA 103 Ca 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1j24 h ALA 103 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j24 h ALA 103 CO -0.05 -0.16 0.05 0.28 0.00 0.00 0.00 179.25 179.37 1j24 h VAL 104 N 0.18 1.22 -0.00 0.00 2.07 -1.01 -0.39 116.25 118.31 1j24 h VAL 104 Ca 0.07 -0.74 -0.23 0.00 0.82 0.00 0.00 66.70 66.62 1j24 h VAL 104 Cb 0.16 1.24 0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1j24 h VAL 104 CO -0.01 0.24 -0.89 0.71 0.02 0.00 0.00 177.57 177.65 1j24 h THR 105 N 0.22 1.33 0.07 2.57 1.35 -1.27 -0.27 112.91 116.91 1j24 h THR 105 Ca 0.08 -2.18 -0.34 0.00 -0.55 0.00 0.00 66.41 63.42 1j24 h THR 105 Cb 0.31 2.46 -0.03 0.00 -1.73 0.00 0.00 68.15 69.16 1j24 h THR 105 CO 0.00 0.66 -1.87 0.52 -0.25 0.00 0.00 175.52 174.59 1j24 n VAL 106 N -3.99 1.67 -0.06 6.82 0.31 0.12 -3.30 118.33 119.91 1j24 n VAL 106 Ca -0.11 -0.46 -0.03 0.00 -0.01 0.00 0.00 64.34 63.74 1j24 n VAL 106 Cb 0.81 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 1j24 n VAL 106 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1j24 h ASP 107 N -0.29 0.00 1.31 4.52 3.32 -1.20 -3.35 116.42 120.72 1j24 h ASP 107 Ca -0.43 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.47 1j24 h ASP 107 Cb 1.80 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.35 1j24 h ASP 107 CO -0.04 0.60 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.82 1j24 h PHE 108 N -1.00 0.00 -1.26 4.55 0.04 -1.13 -3.47 116.94 114.67 1j24 h PHE 108 Ca -0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 1j24 h PHE 108 Cb 0.19 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 1j24 h PHE 108 CO 0.02 0.00 -0.25 0.41 -0.60 0.00 0.00 178.31 177.89 1j24 n GLY 109 N 0.35 0.24 3.45 -1.45 0.00 -0.69 -4.99 105.19 102.10 1j24 n GLY 109 Ca 0.02 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1j24 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j24 s VAL 110 N -2.49 4.76 0.32 1.61 1.01 -0.20 -4.97 120.40 120.43 1j24 s VAL 110 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1j24 s VAL 110 Cb 0.00 -3.47 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 1j24 s VAL 110 CO 0.00 -0.00 1.29 -2.65 0.00 0.00 0.00 175.10 173.74 1j24 n PRO 111 N 5.01 2.07 -3.91 2.72 -0.02 -1.26 -3.66 135.00 135.96 1j24 n PRO 111 Ca -0.13 0.73 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 1j24 n PRO 111 Cb 0.49 -2.31 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 1j24 n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1j24 s ILE 112 N -0.92 2.00 -0.04 4.25 1.01 -1.26 -1.20 121.20 125.05 1j24 s ILE 112 Ca 0.58 -2.49 -0.21 0.00 0.00 0.00 0.00 60.65 58.53 1j24 s ILE 112 Cb -0.59 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1j24 s ILE 112 CO 0.60 -0.71 0.61 -0.63 0.00 0.00 0.00 174.94 174.81 1j24 s ILE 113 N 0.61 4.98 -0.16 2.92 1.01 0.27 -4.91 121.20 125.92 1j24 s ILE 113 Ca 0.13 1.26 -0.12 0.00 0.00 0.00 0.00 60.65 61.92 1j24 s ILE 113 Cb -0.21 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1j24 s ILE 113 CO -0.07 0.36 0.24 -0.36 0.00 0.00 0.00 174.94 175.11 1j24 s PHE 114 N 0.20 3.47 -0.00 3.97 0.40 -1.26 -0.95 117.98 123.80 1j24 s PHE 114 Ca 0.32 0.54 0.07 0.00 -0.60 0.00 0.00 56.93 57.26 1j24 s PHE 114 Cb -0.18 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.07 1j24 s PHE 114 CO 0.16 0.31 -0.23 0.45 0.70 0.00 0.00 175.22 176.61 1j24 s SER 115 N 0.26 2.69 0.22 1.36 0.15 -0.01 -4.95 113.70 113.42 1j24 s SER 115 Ca 0.14 -0.44 0.22 0.00 0.70 0.00 0.00 55.95 56.57 1j24 s SER 115 Cb -0.13 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1j24 s SER 115 CO 0.03 0.26 1.09 0.77 1.20 0.00 0.00 173.24 176.59 1j24 h SER 116 N 5.40 0.00 -5.23 5.45 4.64 -1.90 0.15 113.55 122.06 1j24 h SER 116 Ca -0.41 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 1j24 h SER 116 Cb 1.14 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.11 1j24 h SER 116 CO 0.47 0.08 -0.20 0.42 -0.87 0.00 0.00 176.83 176.72 1j24 s THR 117 N -3.29 0.04 0.41 2.95 -4.23 -1.26 -4.30 115.64 105.96 1j24 s THR 117 Ca 0.00 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 59.38 1j24 s THR 117 Cb 0.09 -1.90 0.15 0.00 1.34 0.00 0.00 72.50 72.18 1j24 s THR 117 CO 0.78 -0.17 1.93 1.55 -0.54 0.00 0.00 174.62 178.17 1j24 h PRO 118 N 2.39 0.00 -0.45 3.99 0.13 -1.94 -1.12 132.00 135.00 1j24 h PRO 118 Ca -0.30 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.78 1j24 h PRO 118 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1j24 h PRO 118 CO 0.43 0.26 0.07 0.93 -0.23 0.00 0.00 178.00 179.45 1j24 h GLU 119 N 0.00 0.75 -0.33 0.86 3.07 -1.94 -1.04 114.58 115.95 1j24 h GLU 119 Ca -0.00 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.57 1j24 h GLU 119 Cb 0.47 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1j24 h GLU 119 CO 0.03 0.77 -0.14 1.49 -1.40 0.00 0.00 179.01 179.76 1j24 h GLU 120 N 0.61 0.59 -0.59 2.33 4.81 -1.80 -0.55 114.58 119.98 1j24 h GLU 120 Ca 0.14 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1j24 h GLU 120 Cb 0.39 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1j24 h GLU 120 CO 0.01 0.71 0.29 1.15 -0.73 0.00 0.00 179.01 180.44 1j24 h THR 121 N 0.53 1.21 -0.71 0.32 2.02 -0.88 -0.99 112.91 114.41 1j24 h THR 121 Ca 0.09 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1j24 h THR 121 Cb 0.56 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1j24 h THR 121 CO 0.04 0.23 0.32 0.00 0.37 0.00 0.00 175.52 176.48 1j24 h ALA 122 N 1.12 0.92 -0.89 6.16 0.00 -0.60 -1.29 119.26 124.68 1j24 h ALA 122 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1j24 h ALA 122 Cb 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1j24 h ALA 122 CO -0.03 0.50 0.53 1.96 0.00 0.00 0.00 179.25 182.21 1j24 h GLN 123 N 1.00 1.21 -0.19 0.00 1.08 -0.63 0.12 115.11 117.70 1j24 h GLN 123 Ca 0.24 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1j24 h GLN 123 Cb 0.15 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1j24 h GLN 123 CO -0.03 0.85 -0.01 1.88 -0.95 0.00 0.00 178.83 180.57 1j24 h TYR 124 N 1.22 0.37 -0.64 2.96 0.05 -0.80 -1.43 116.97 118.71 1j24 h TYR 124 Ca 0.32 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 59.06 1j24 h TYR 124 Cb -0.04 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 1j24 h TYR 124 CO 0.01 0.56 0.39 0.82 -1.05 0.00 0.00 178.16 178.88 1j24 h ILE 125 N 0.08 1.06 0.11 -2.88 2.04 -0.82 -1.49 117.51 115.60 1j24 h ILE 125 Ca 0.05 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1j24 h ILE 125 Cb 0.42 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1j24 h ILE 125 CO 0.01 0.14 -0.05 0.15 0.00 0.00 0.00 178.15 178.40 1j24 h PHE 126 N 0.75 -0.14 -0.31 1.37 3.04 -0.66 -0.40 116.94 120.59 1j24 h PHE 126 Ca 0.26 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.15 1j24 h PHE 126 Cb 0.05 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1j24 h PHE 126 CO -0.06 -0.04 -0.08 1.37 -2.02 0.00 0.00 178.31 177.48 1j24 h LEU 127 N -0.20 0.48 -0.19 0.59 8.10 -1.03 0.27 115.31 123.34 1j24 h LEU 127 Ca -0.02 -0.11 -0.11 0.00 0.11 0.00 0.00 57.88 57.76 1j24 h LEU 127 Cb 0.16 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1j24 h LEU 127 CO 0.02 0.61 -0.30 0.40 -4.11 0.00 0.00 178.44 175.07 1j24 h ILE 128 N 0.47 1.34 -0.74 0.15 2.04 -1.17 -2.51 117.51 117.09 1j24 h ILE 128 Ca 0.09 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 1j24 h ILE 128 Cb 0.44 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1j24 h ILE 128 CO 0.02 0.46 0.35 0.00 0.00 0.00 0.00 178.15 178.99 1j24 h ALA 129 N 0.61 1.23 -0.62 1.87 0.00 -0.72 -1.03 119.26 120.60 1j24 h ALA 129 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1j24 h ALA 129 Cb 0.88 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1j24 h ALA 129 CO 0.07 0.59 0.20 -0.22 0.00 0.00 0.00 179.25 179.89 1j24 h LYS 130 N 1.05 0.96 -0.50 0.00 3.64 -0.90 -0.81 116.57 120.01 1j24 h LYS 130 Ca 0.26 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1j24 h LYS 130 Cb 0.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1j24 h LYS 130 CO -0.03 0.84 -0.04 0.00 -2.27 0.00 0.00 179.45 177.95 1j24 h ARG 131 N 0.89 0.86 -0.50 1.90 3.08 -1.00 -1.34 114.38 118.27 1j24 h ARG 131 Ca 0.20 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1j24 h ARG 131 Cb 0.27 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1j24 h ARG 131 CO -0.01 0.89 0.22 1.49 -1.07 0.00 0.00 179.97 181.49 1j24 h GLU 132 N 0.79 0.73 -0.30 0.04 4.22 -0.82 -1.24 114.58 118.00 1j24 h GLU 132 Ca 0.14 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 1j24 h GLU 132 Cb 0.54 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1j24 h GLU 132 CO 0.03 0.63 0.10 0.37 -2.18 0.00 0.00 179.01 177.96 1j24 h GLN 133 N 0.66 0.46 -0.20 1.92 4.15 -0.86 -0.12 115.11 121.13 1j24 h GLN 133 Ca 0.17 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1j24 h GLN 133 Cb 0.15 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1j24 h GLN 133 CO -0.02 0.50 -0.14 0.93 -1.93 0.00 0.00 178.83 178.17 1j24 h GLU 134 N 0.33 0.32 0.00 1.69 5.08 -1.13 -3.08 114.58 117.79 1j24 h GLU 134 Ca 0.10 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1j24 h GLU 134 Cb 0.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1j24 h GLU 134 CO -0.00 0.47 -0.75 0.39 -1.00 0.00 0.00 179.01 178.11 1j24 n GLU 135 N -4.23 0.03 0.00 2.33 1.02 -0.48 -5.10 120.64 114.20 1j24 n GLU 135 Ca -0.00 -0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.19 1j24 n GLU 135 Cb 0.30 -1.51 0.33 0.00 -0.02 0.00 0.00 31.44 30.54 1j24 n GLU 135 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18