#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j23 s LYS 6 N 0.00 2.94 -0.01 7.34 1.02 -1.26 -1.04 119.74 128.72 1j23 s LYS 6 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1j23 s LYS 6 Cb 0.00 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1j23 s LYS 6 CO 0.00 0.40 -0.02 0.08 -0.92 0.00 0.00 175.35 174.90 1j23 s VAL 7 N -0.15 0.20 -0.14 3.17 1.01 -0.61 -4.88 120.40 119.00 1j23 s VAL 7 Ca -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1j23 s VAL 7 Cb -0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1j23 s VAL 7 CO 0.03 0.09 0.45 -0.69 0.00 0.00 0.00 175.10 174.99 1j23 s VAL 8 N 0.34 5.19 -0.03 2.92 1.01 -0.74 -1.72 120.40 127.36 1j23 s VAL 8 Ca -0.03 0.88 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1j23 s VAL 8 Cb -0.06 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1j23 s VAL 8 CO -0.01 0.31 -0.24 0.54 0.00 0.00 0.00 175.10 175.70 1j23 s VAL 9 N 0.79 2.22 0.25 2.92 0.11 -0.16 0.09 120.40 126.63 1j23 s VAL 9 Ca 0.24 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 1j23 s VAL 9 Cb -0.15 -1.80 -0.09 0.00 -1.53 0.00 0.00 36.38 32.81 1j23 s VAL 9 CO 0.09 0.58 1.22 -0.62 -3.33 0.00 0.00 175.10 173.04 1j23 s ASP 10 N -0.51 7.01 0.36 3.54 -1.08 -0.15 -1.48 116.67 124.37 1j23 s ASP 10 Ca 0.07 2.40 0.18 0.00 -0.52 0.00 0.00 52.55 54.68 1j23 s ASP 10 Cb -0.11 -2.62 1.15 0.00 -1.46 0.00 0.00 42.92 39.88 1j23 s ASP 10 CO 0.00 -0.38 1.67 0.77 0.52 0.00 0.00 175.17 177.75 1j23 h SER 11 N 4.37 0.46 0.28 -0.34 4.64 -0.59 0.47 113.55 122.85 1j23 h SER 11 Ca -0.46 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1j23 h SER 11 Cb 1.22 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1j23 h SER 11 CO 0.71 -0.13 0.00 0.03 -0.87 0.00 0.00 176.83 176.57 1j23 h ARG 12 N 0.29 0.00 0.00 4.77 3.08 -1.91 -1.74 114.38 118.87 1j23 h ARG 12 Ca 0.74 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.79 1j23 h ARG 12 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.86 1j23 h ARG 12 CO -0.55 0.00 -1.03 0.39 -1.07 0.00 0.00 179.97 177.71 1j23 n GLU 13 N -2.53 0.14 -0.34 0.04 -0.58 0.15 -4.66 120.64 112.87 1j23 n GLU 13 Ca -0.01 -0.02 0.02 0.00 -0.42 0.00 0.00 57.16 56.73 1j23 n GLU 13 Cb 0.12 -1.53 0.08 0.00 -0.57 0.00 0.00 31.44 29.54 1j23 n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1j23 n LEU 14 N -1.70 -0.47 -1.83 -4.62 0.00 -0.65 -0.94 117.00 106.79 1j23 n LEU 14 Ca 0.03 1.56 -0.07 0.00 0.00 0.00 0.00 56.01 57.52 1j23 n LEU 14 Cb 0.38 -0.41 0.24 0.00 0.00 0.00 0.00 43.42 43.64 1j23 n LEU 14 CO 0.41 -1.44 0.96 -1.14 0.00 0.00 0.00 177.39 176.18 1j23 n ARG 15 N -5.39 3.11 -2.20 1.96 0.63 -1.26 -4.77 116.66 108.75 1j23 n ARG 15 Ca 0.12 -2.53 -0.27 0.00 -0.92 0.00 0.00 57.85 54.24 1j23 n ARG 15 Cb 0.40 -2.05 0.05 0.00 0.45 0.00 0.00 32.46 31.31 1j23 n ARG 15 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j23 s SER 16 N -0.76 5.23 0.47 6.15 1.04 -0.12 -4.95 113.70 120.76 1j23 s SER 16 Ca 0.46 0.72 0.29 0.00 0.48 0.00 0.00 55.95 57.90 1j23 s SER 16 Cb 0.37 -1.53 1.01 0.00 0.10 0.00 0.00 66.02 65.97 1j23 s SER 16 CO 0.11 -1.35 1.84 -0.33 0.98 0.00 0.00 173.24 174.49 1j23 h GLU 17 N -0.47 0.00 -0.08 4.02 4.39 -1.93 -2.68 114.58 117.83 1j23 h GLU 17 Ca -0.45 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1j23 h GLU 17 Cb 1.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1j23 h GLU 17 CO 0.62 0.00 -0.00 0.28 -1.16 0.00 0.00 179.01 178.74 1j23 h VAL 18 N 0.00 1.26 -0.66 3.13 2.07 -1.91 -1.96 116.25 118.19 1j23 h VAL 18 Ca 0.00 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1j23 h VAL 18 Cb 0.65 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1j23 h VAL 18 CO 0.00 0.23 0.26 0.58 0.02 0.00 0.00 177.57 178.66 1j23 h VAL 19 N -0.15 1.23 -0.42 2.57 2.07 -1.76 -0.51 116.25 119.28 1j23 h VAL 19 Ca 0.02 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1j23 h VAL 19 Cb 0.36 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1j23 h VAL 19 CO 0.00 0.29 0.28 0.50 0.02 0.00 0.00 177.57 178.66 1j23 h LYS 20 N 0.96 0.55 -0.40 1.57 3.64 -1.31 -0.83 116.57 120.74 1j23 h LYS 20 Ca 0.22 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1j23 h LYS 20 Cb 0.19 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1j23 h LYS 20 CO -0.02 0.36 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.15 1j23 h ARG 21 N 0.56 0.87 -1.00 1.90 9.65 -0.93 -1.73 114.38 123.71 1j23 h ARG 21 Ca 0.16 -0.39 0.01 0.00 -1.10 0.00 0.00 59.98 58.65 1j23 h ARG 21 Cb -0.05 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.46 1j23 h ARG 21 CO -0.04 1.04 0.66 -0.07 2.80 0.00 0.00 179.97 184.36 1j23 h LEU 22 N 0.74 1.15 -0.59 3.80 3.38 -0.77 0.18 115.31 123.19 1j23 h LEU 22 Ca 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1j23 h LEU 22 Cb 0.84 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1j23 h LEU 22 CO 0.07 0.83 -0.02 0.11 0.09 0.00 0.00 178.44 179.52 1j23 h LYS 23 N 1.36 1.06 -0.20 1.13 1.57 -0.92 -0.86 116.57 119.71 1j23 h LYS 23 Ca 0.37 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1j23 h LYS 23 Cb -0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1j23 h LYS 23 CO -0.08 1.05 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.72 1j23 h LEU 24 N 0.96 0.28 0.00 2.94 3.38 -0.52 -0.91 115.31 121.44 1j23 h LEU 24 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1j23 h LEU 24 Cb 0.59 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1j23 h LEU 24 CO 0.04 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.14 1j23 n LEU 25 N -4.31 0.00 0.00 1.67 4.77 -0.02 -4.88 117.00 114.23 1j23 n LEU 25 Ca -0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1j23 n LEU 25 Cb 0.23 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1j23 n LEU 25 CO 0.38 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1j23 n GLY 26 N 0.80 0.61 3.75 -0.72 0.00 -0.35 -5.03 105.19 104.26 1j23 n GLY 26 Ca 0.17 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1j23 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j23 s VAL 27 N -2.00 3.49 -0.40 1.61 1.01 -0.37 -4.55 120.40 119.19 1j23 s VAL 27 Ca 0.00 1.44 -0.18 0.00 0.00 0.00 0.00 61.98 63.24 1j23 s VAL 27 Cb 0.00 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1j23 s VAL 27 CO 0.00 0.32 0.48 -0.54 0.00 0.00 0.00 175.10 175.35 1j23 s LYS 28 N -1.17 3.31 -0.08 2.72 3.01 -0.21 -4.53 119.74 122.79 1j23 s LYS 28 Ca 0.46 -0.52 -0.09 0.00 -1.01 0.00 0.00 55.97 54.82 1j23 s LYS 28 Cb -0.32 -3.91 -0.04 0.00 -1.01 0.00 0.00 37.83 32.55 1j23 s LYS 28 CO 0.40 -0.78 0.22 -0.51 0.51 0.00 0.00 175.35 175.19 1j23 s LEU 29 N 2.29 4.41 -0.18 3.17 1.43 -1.26 -1.57 118.68 126.98 1j23 s LEU 29 Ca 0.15 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 1j23 s LEU 29 Cb -0.16 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.84 1j23 s LEU 29 CO 0.14 0.38 -0.19 -0.70 0.23 0.00 0.00 176.35 176.22 1j23 s GLU 30 N -1.07 3.04 0.01 1.70 2.12 -0.70 -4.98 118.70 118.83 1j23 s GLU 30 Ca 0.18 -0.81 -0.21 0.00 0.36 0.00 0.00 54.97 54.49 1j23 s GLU 30 Cb -0.13 -2.60 -0.06 0.00 0.26 0.00 0.00 34.13 31.60 1j23 s GLU 30 CO 0.07 -0.17 0.62 0.08 -0.54 0.00 0.00 175.26 175.32 1j23 s VAL 31 N 1.22 4.86 0.14 3.70 1.01 -1.26 -0.99 120.40 129.08 1j23 s VAL 31 Ca 0.03 1.30 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 1j23 s VAL 31 Cb -0.14 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1j23 s VAL 31 CO -0.10 0.42 0.19 -0.54 0.00 0.00 0.00 175.10 175.07 1j23 s LYS 32 N -0.26 1.01 -0.46 2.72 1.02 -0.55 -4.94 119.74 118.30 1j23 s LYS 32 Ca 0.32 -1.21 -0.08 0.00 0.02 0.00 0.00 55.97 55.02 1j23 s LYS 32 Cb -0.19 0.33 0.12 0.00 -0.52 0.00 0.00 37.83 37.56 1j23 s LYS 32 CO 0.18 -0.34 0.31 0.99 -0.92 0.00 0.00 175.35 175.58 1j23 s THR 33 N -3.97 4.02 0.07 2.17 2.01 -1.26 0.22 115.64 118.90 1j23 s THR 33 Ca 0.16 -1.82 -0.20 0.00 0.31 0.00 0.00 61.69 60.15 1j23 s THR 33 Cb 0.05 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.84 1j23 s THR 33 CO -0.02 -0.74 0.59 -0.76 -0.69 0.00 0.00 174.62 173.00 1j23 s LEU 34 N 1.32 4.52 0.34 4.42 1.43 -1.26 -4.97 118.68 124.48 1j23 s LEU 34 Ca 0.06 1.28 0.18 0.00 -1.03 0.00 0.00 54.13 54.62 1j23 s LEU 34 Cb -0.25 -2.93 0.41 0.00 0.03 0.00 0.00 46.19 43.44 1j23 s LEU 34 CO -0.01 0.25 1.60 0.44 0.23 0.00 0.00 176.35 178.86 1j23 h ASP 35 N 4.65 0.00 -3.90 2.29 3.32 -2.05 -3.44 116.42 117.29 1j23 h ASP 35 Ca -0.49 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.40 1j23 h ASP 35 Cb 1.21 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 1j23 h ASP 35 CO 0.64 0.40 -0.41 0.54 -1.72 0.00 0.00 179.24 178.70 1j23 s VAL 36 N -3.28 0.00 0.00 -1.35 0.11 -1.26 -5.13 120.40 109.50 1j23 s VAL 36 Ca 0.02 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1j23 s VAL 36 Cb 0.09 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1j23 s VAL 36 CO 0.71 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 173.06 1j23 n GLY 37 N 2.84 0.16 0.03 6.54 0.00 -1.26 -4.97 105.19 108.53 1j23 n GLY 37 Ca -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 1j23 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j23 n ASP 38 N -0.74 3.47 -3.73 1.61 8.00 -0.10 -4.74 116.55 120.31 1j23 n ASP 38 Ca 0.00 -0.01 -0.21 0.00 0.71 0.00 0.00 54.79 55.27 1j23 n ASP 38 Cb 0.00 0.42 -0.18 0.00 -0.02 0.00 0.00 41.12 41.34 1j23 n ASP 38 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1j23 s TYR 39 N -2.15 0.38 -0.23 1.24 2.02 -0.75 -0.97 117.35 116.89 1j23 s TYR 39 Ca -0.05 0.03 -0.08 0.00 -0.37 0.00 0.00 57.07 56.60 1j23 s TYR 39 Cb 0.02 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 1j23 s TYR 39 CO 0.23 -0.26 0.09 0.42 -1.57 0.00 0.00 175.55 174.46 1j23 s ILE 40 N 2.01 4.70 -0.19 2.71 -1.09 0.11 0.04 121.20 129.50 1j23 s ILE 40 Ca 0.04 -0.05 -0.06 0.00 -2.23 0.00 0.00 60.65 58.35 1j23 s ILE 40 Cb -0.12 -3.18 -0.21 0.00 -1.58 0.00 0.00 42.46 37.37 1j23 s ILE 40 CO -0.04 0.37 0.10 -0.38 -1.23 0.00 0.00 174.94 173.76 1j23 n ILE 41 N 4.43 1.65 -3.91 2.92 2.08 0.26 -1.79 119.36 124.98 1j23 n ILE 41 Ca -0.16 -0.55 -0.12 0.00 0.56 0.00 0.00 62.75 62.49 1j23 n ILE 41 Cb 0.52 -1.67 -0.01 0.00 -0.75 0.00 0.00 39.64 37.73 1j23 n ILE 41 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1j23 n SER 42 N -3.56 -1.49 0.31 4.38 3.41 -0.88 -4.93 113.62 110.86 1j23 n SER 42 Ca -0.38 -2.62 0.19 0.00 -0.26 0.00 0.00 58.87 55.79 1j23 n SER 42 Cb 0.98 2.65 0.98 0.00 -0.26 0.00 0.00 64.21 68.56 1j23 n SER 42 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1j23 h GLU 43 N 0.00 0.00 0.00 4.33 4.11 -2.02 -3.10 114.58 117.91 1j23 h GLU 43 Ca -0.26 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.92 1j23 h GLU 43 Cb 1.08 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 1j23 h GLU 43 CO 0.35 0.02 -1.93 -0.25 0.07 0.00 0.00 179.01 177.28 1j23 n ASP 44 N -3.29 1.93 -4.59 3.06 8.00 -1.26 -4.71 116.55 115.68 1j23 n ASP 44 Ca -0.02 -0.02 -0.38 0.00 0.71 0.00 0.00 54.79 55.08 1j23 n ASP 44 Cb 0.15 0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 41.73 1j23 n ASP 44 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1j23 s VAL 45 N -2.33 5.31 0.04 2.53 1.01 -1.17 -0.97 120.40 124.82 1j23 s VAL 45 Ca -0.10 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1j23 s VAL 45 Cb 0.04 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1j23 s VAL 45 CO 0.51 0.25 -0.12 0.00 0.00 0.00 0.00 175.10 175.74 1j23 s ALA 46 N 1.75 1.02 -0.07 5.51 0.00 -1.23 -0.58 121.76 128.16 1j23 s ALA 46 Ca 0.07 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1j23 s ALA 46 Cb -0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1j23 s ALA 46 CO 0.11 0.17 -0.24 0.42 0.00 0.00 0.00 175.76 176.22 1j23 s ILE 47 N -0.95 2.16 -0.20 0.00 1.01 0.11 -0.70 121.20 122.63 1j23 s ILE 47 Ca -0.01 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 1j23 s ILE 47 Cb -0.08 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1j23 s ILE 47 CO 0.01 0.57 -0.05 -0.70 0.00 0.00 0.00 174.94 174.77 1j23 s GLU 48 N -0.03 3.42 -0.19 2.79 2.56 -0.17 -0.93 118.70 126.16 1j23 s GLU 48 Ca -0.07 -0.61 -0.15 0.00 0.00 0.00 0.00 54.97 54.13 1j23 s GLU 48 Cb -0.15 -2.96 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 1j23 s GLU 48 CO 0.05 -0.10 0.35 0.50 -0.56 0.00 0.00 175.26 175.50 1j23 s ARG 49 N 1.22 4.20 -0.03 4.30 3.52 -1.26 -1.01 118.95 129.90 1j23 s ARG 49 Ca 0.03 0.14 -0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1j23 s ARG 49 Cb -0.14 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1j23 s ARG 49 CO -0.01 0.07 0.02 0.21 -0.81 0.00 0.00 175.30 174.78 1j23 s LYS 50 N 0.98 0.11 0.66 5.12 2.20 -0.26 -4.97 119.74 123.57 1j23 s LYS 50 Ca 0.18 0.16 -0.15 0.00 -0.36 0.00 0.00 55.97 55.80 1j23 s LYS 50 Cb -0.14 -0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 35.79 1j23 s LYS 50 CO 0.06 -0.18 1.10 -1.54 -0.36 0.00 0.00 175.35 174.44 1j23 s SER 51 N 1.19 5.17 0.24 1.43 1.04 -1.26 -0.46 113.70 121.06 1j23 s SER 51 Ca -0.07 1.96 -0.05 0.00 0.48 0.00 0.00 55.95 58.27 1j23 s SER 51 Cb -0.13 -2.55 0.35 0.00 0.10 0.00 0.00 66.02 63.79 1j23 s SER 51 CO -0.03 -1.58 1.84 0.00 0.98 0.00 0.00 173.24 174.45 1j23 h ALA 52 N 0.03 1.17 -0.78 5.32 0.00 -1.08 -1.10 119.26 122.82 1j23 h ALA 52 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1j23 h ALA 52 Cb 1.24 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1j23 h ALA 52 CO 0.54 0.21 0.42 -0.91 0.00 0.00 0.00 179.25 179.51 1j23 h ASN 53 N 0.91 0.98 0.25 0.00 2.35 -1.88 -1.61 115.58 116.57 1j23 h ASN 53 Ca 0.38 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 1j23 h ASN 53 Cb 0.23 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1j23 h ASN 53 CO -0.19 0.81 -0.44 0.44 -1.65 0.00 0.00 177.43 176.39 1j23 h ASP 54 N 1.08 0.26 0.10 5.81 3.32 -1.72 -0.53 116.42 124.74 1j23 h ASP 54 Ca 0.27 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1j23 h ASP 54 Cb 0.05 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1j23 h ASP 54 CO -0.04 0.67 -0.05 0.25 -1.72 0.00 0.00 179.24 178.35 1j23 h LEU 55 N 0.20 -0.12 -0.77 1.55 5.85 -0.84 0.06 115.31 121.24 1j23 h LEU 55 Ca 0.02 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1j23 h LEU 55 Cb 0.86 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1j23 h LEU 55 CO 0.07 0.09 0.49 0.40 -0.34 0.00 0.00 178.44 179.14 1j23 h ILE 56 N -0.33 1.10 -0.76 4.05 2.04 -1.17 -1.27 117.51 121.18 1j23 h ILE 56 Ca -0.01 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1j23 h ILE 56 Cb 0.27 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1j23 h ILE 56 CO 0.02 0.17 0.36 -0.61 0.00 0.00 0.00 178.15 178.09 1j23 h GLN 57 N 0.94 1.10 0.00 2.37 5.75 -0.87 -0.50 115.11 123.91 1j23 h GLN 57 Ca 0.31 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1j23 h GLN 57 Cb 0.03 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1j23 h GLN 57 CO -0.12 0.86 -0.17 0.66 -2.65 0.00 0.00 178.83 177.42 1j23 h SER 58 N 1.08 0.00 0.03 -0.69 4.64 -0.21 0.32 113.55 118.71 1j23 h SER 58 Ca 0.26 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.42 1j23 h SER 58 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1j23 h SER 58 CO -0.03 0.17 -0.63 0.40 -0.87 0.00 0.00 176.83 175.87 1j23 h ILE 59 N 0.00 1.45 -0.58 0.95 2.04 -0.47 0.10 117.51 121.00 1j23 h ILE 59 Ca -0.00 -2.17 0.03 0.00 1.00 0.00 0.00 64.86 63.72 1j23 h ILE 59 Cb 0.46 2.73 -0.04 0.00 -0.74 0.00 0.00 36.82 39.23 1j23 h ILE 59 CO 0.02 0.63 0.35 0.40 0.00 0.00 0.00 178.15 179.55 1j23 h ILE 60 N -0.18 1.05 -0.01 -0.67 2.04 -0.51 -2.22 117.51 117.02 1j23 h ILE 60 Ca -0.09 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1j23 h ILE 60 Cb 1.37 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1j23 h ILE 60 CO 0.12 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.87 1j23 n ASP 61 N -4.76 1.01 -1.97 1.72 8.00 0.04 -4.93 116.55 115.66 1j23 n ASP 61 Ca 0.05 -1.34 -0.17 0.00 0.71 0.00 0.00 54.79 54.04 1j23 n ASP 61 Cb 0.09 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1j23 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j23 n GLY 62 N 1.11 -0.32 0.47 0.44 0.00 -0.67 -4.90 105.19 101.32 1j23 n GLY 62 Ca 0.20 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1j23 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j23 n GLY 63 N -1.01 0.07 0.15 -0.02 0.00 0.27 -4.62 105.19 100.01 1j23 n GLY 63 Ca -0.21 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1j23 n GLY 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j23 h LEU 64 N 2.30 0.37 -1.15 0.99 5.85 -1.84 -2.44 115.31 119.39 1j23 h LEU 64 Ca 0.00 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1j23 h LEU 64 Cb 0.65 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1j23 h LEU 64 CO 0.00 0.30 0.00 -0.26 -0.34 0.00 0.00 178.44 178.14 1j23 h PHE 65 N 0.40 0.62 -0.69 1.25 0.04 -1.89 -1.22 116.94 115.45 1j23 h PHE 65 Ca 0.11 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 1j23 h PHE 65 Cb -0.00 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 1j23 h PHE 65 CO -0.04 0.60 0.17 -0.44 -0.60 0.00 0.00 178.31 177.99 1j23 h ASP 66 N 0.56 1.04 -0.56 2.17 3.32 -1.82 -0.82 116.42 120.32 1j23 h ASP 66 Ca 0.12 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1j23 h ASP 66 Cb 0.36 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1j23 h ASP 66 CO 0.01 1.00 0.27 1.56 -1.72 0.00 0.00 179.24 180.37 1j23 h GLN 67 N 1.03 0.81 -0.52 3.56 4.20 -0.85 -1.49 115.11 121.85 1j23 h GLN 67 Ca 0.22 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 1j23 h GLN 67 Cb 0.37 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1j23 h GLN 67 CO 0.00 0.66 -0.11 0.28 -0.67 0.00 0.00 178.83 178.99 1j23 h VAL 68 N 0.76 1.27 -0.42 -0.54 2.07 -1.07 -1.77 116.25 116.55 1j23 h VAL 68 Ca 0.19 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.49 1j23 h VAL 68 Cb 0.12 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1j23 h VAL 68 CO -0.02 0.44 0.22 0.50 0.02 0.00 0.00 177.57 178.72 1j23 h LYS 69 N 0.86 0.43 -0.55 1.57 3.64 -0.82 -0.54 116.57 121.17 1j23 h LYS 69 Ca 0.14 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1j23 h LYS 69 Cb 0.66 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1j23 h LYS 69 CO 0.05 0.29 0.09 -0.09 -2.27 0.00 0.00 179.45 177.51 1j23 h ARG 70 N 0.44 0.88 -0.15 1.90 2.43 -1.04 -1.15 114.38 117.69 1j23 h ARG 70 Ca 0.18 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1j23 h ARG 70 Cb 0.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1j23 h ARG 70 CO -0.12 0.82 0.05 1.25 -1.51 0.00 0.00 179.97 180.46 1j23 h LEU 71 N 0.84 0.23 -1.36 3.80 5.85 -0.75 -2.63 115.31 121.28 1j23 h LEU 71 Ca 0.17 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1j23 h LEU 71 Cb 0.37 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1j23 h LEU 71 CO 0.01 0.37 0.06 0.11 -0.34 0.00 0.00 178.44 178.65 1j23 h LYS 72 N 0.07 0.48 0.00 1.25 1.57 -0.86 -1.05 116.57 118.02 1j23 h LYS 72 Ca 0.05 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1j23 h LYS 72 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1j23 h LYS 72 CO -0.00 0.47 0.00 0.93 -0.57 0.00 0.00 179.45 180.28 1j23 h GLU 73 N 0.47 0.00 0.01 3.15 5.08 -1.07 -3.24 114.58 118.98 1j23 h GLU 73 Ca 0.11 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.14 1j23 h GLU 73 Cb 0.22 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1j23 h GLU 73 CO 0.00 0.00 -2.05 0.00 -1.00 0.00 0.00 179.01 175.96 1j23 n ALA 74 N -2.08 1.46 -3.03 3.43 0.00 -0.89 -4.95 120.51 114.45 1j23 n ALA 74 Ca 0.02 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.30 1j23 n ALA 74 Cb 0.40 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.18 1j23 n ALA 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1j23 s TYR 75 N -2.55 0.35 0.22 0.00 2.02 -0.45 -5.03 117.35 111.91 1j23 s TYR 75 Ca -0.09 -0.06 0.17 0.00 -0.37 0.00 0.00 57.07 56.72 1j23 s TYR 75 Cb 0.07 -0.28 0.67 0.00 -0.40 0.00 0.00 41.96 42.02 1j23 s TYR 75 CO 0.81 -0.04 1.74 0.66 -1.57 0.00 0.00 175.55 177.15 1j23 h SER 76 N 6.36 0.00 -2.13 2.29 4.64 -1.75 -3.36 113.55 119.60 1j23 h SER 76 Ca -0.31 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.45 1j23 h SER 76 Cb 1.18 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.86 1j23 h SER 76 CO 0.50 0.40 -0.85 0.54 -0.87 0.00 0.00 176.83 176.55 1j23 n ARG 77 N -3.64 1.94 -2.08 4.77 1.74 -0.15 -5.05 116.66 114.20 1j23 n ARG 77 Ca -0.01 -4.10 -0.32 0.00 -0.77 0.00 0.00 57.85 52.64 1j23 n ARG 77 Cb 0.50 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1j23 n ARG 77 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j23 s PRO 78 N -2.39 3.41 -0.00 5.56 0.04 -1.26 -3.52 135.00 136.83 1j23 s PRO 78 Ca 0.41 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1j23 s PRO 78 Cb 0.23 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1j23 s PRO 78 CO -0.08 -0.73 -0.01 0.42 0.04 0.00 0.00 177.00 176.64 1j23 s ILE 79 N -2.52 0.08 -0.16 0.56 1.01 0.12 -4.20 121.20 116.10 1j23 s ILE 79 Ca 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.24 1j23 s ILE 79 Cb -0.15 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 1j23 s ILE 79 CO 0.37 0.04 -0.08 -0.04 0.00 0.00 0.00 174.94 175.23 1j23 s MET 80 N 0.16 3.46 -0.30 2.79 -1.94 -0.02 -0.99 119.30 122.47 1j23 s MET 80 Ca -0.01 -0.62 -0.04 0.00 -1.71 0.00 0.00 55.69 53.30 1j23 s MET 80 Cb -0.03 -2.81 0.03 0.00 2.01 0.00 0.00 34.83 34.03 1j23 s MET 80 CO -0.00 0.12 0.04 0.42 -0.01 0.00 0.00 175.02 175.58 1j23 s ILE 81 N 0.65 3.47 -0.30 2.53 1.01 -0.18 -0.52 121.20 127.85 1j23 s ILE 81 Ca -0.05 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.41 1j23 s ILE 81 Cb -0.15 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1j23 s ILE 81 CO 0.03 0.00 0.48 -0.69 0.00 0.00 0.00 174.94 174.75 1j23 s VAL 82 N 1.38 5.08 -0.24 2.92 1.01 -0.17 -1.10 120.40 129.28 1j23 s VAL 82 Ca -0.01 0.58 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1j23 s VAL 82 Cb -0.18 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1j23 s VAL 82 CO 0.00 -0.02 0.12 -0.70 0.00 0.00 0.00 175.10 174.50 1j23 s GLU 83 N 2.28 3.88 0.00 2.72 2.12 0.39 -0.80 118.70 129.30 1j23 s GLU 83 Ca 0.19 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.15 1j23 s GLU 83 Cb -0.16 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.81 1j23 s GLU 83 CO 0.11 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1j23 n GLY 84 N 4.53 2.51 3.75 -1.50 0.00 0.41 -0.56 105.19 114.33 1j23 n GLY 84 Ca -0.15 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 1j23 n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j23 s SER 85 N 0.00 7.42 0.00 1.61 0.15 -1.26 -4.61 113.70 117.01 1j23 s SER 85 Ca 0.00 2.11 0.23 0.00 0.70 0.00 0.00 55.95 59.00 1j23 s SER 85 Cb 0.00 -2.62 0.17 0.00 -1.71 0.00 0.00 66.02 61.87 1j23 s SER 85 CO 0.00 -0.04 1.20 0.18 1.20 0.00 0.00 173.24 175.78 1j23 n LEU 86 N 1.50 1.54 -4.87 3.45 4.77 -1.26 -4.83 117.00 117.31 1j23 n LEU 86 Ca -0.01 -0.55 -0.33 0.00 -0.03 0.00 0.00 56.01 55.09 1j23 n LEU 86 Cb 0.46 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1j23 n LEU 86 CO 0.52 0.30 0.23 -0.31 -1.33 0.00 0.00 177.39 176.80 1j23 s TYR 87 N -2.60 3.47 0.00 -1.77 2.02 -1.26 -4.11 117.35 113.10 1j23 s TYR 87 Ca 0.18 0.94 0.00 0.00 -0.37 0.00 0.00 57.07 57.82 1j23 s TYR 87 Cb 0.18 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1j23 s TYR 87 CO 0.61 0.30 0.00 0.41 -1.57 0.00 0.00 175.55 175.31 1j23 n GLY 88 N 0.10 1.00 3.36 0.71 0.00 -1.26 -4.99 105.19 104.10 1j23 n GLY 88 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 1j23 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j23 s ILE 89 N -3.16 5.25 0.00 -0.61 -1.09 -1.26 -5.04 121.20 115.30 1j23 s ILE 89 Ca 0.00 -1.92 0.00 0.00 -2.23 0.00 0.00 60.65 56.50 1j23 s ILE 89 Cb 0.00 -4.52 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 1j23 s ILE 89 CO 0.00 -1.13 0.00 0.54 -1.23 0.00 0.00 174.94 173.12 1j23 n ARG 90 N 5.06 2.18 -0.35 2.79 3.00 -1.26 -4.22 116.66 123.85 1j23 n ARG 90 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.93 1j23 n ARG 90 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 1j23 n ARG 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1j23 n ASN 91 N 0.00 -0.98 -3.70 0.55 0.23 -1.26 -4.81 115.26 105.30 1j23 n ASN 91 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1j23 n ASN 91 Cb 0.00 -1.57 -0.11 0.00 -2.08 0.00 0.00 39.78 36.02 1j23 n ASN 91 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1j23 s VAL 92 N -0.54 -0.12 0.31 3.53 1.01 -1.26 -5.13 120.40 118.19 1j23 s VAL 92 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1j23 s VAL 92 Cb 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 1j23 s VAL 92 CO 0.00 0.05 1.27 -2.28 0.00 0.00 0.00 175.10 174.14 1j23 s HIS 93 N 1.58 3.17 0.37 5.22 2.46 -1.26 -4.92 115.29 121.92 1j23 s HIS 93 Ca -0.08 1.45 0.14 0.00 0.47 0.00 0.00 55.06 57.04 1j23 s HIS 93 Cb -0.09 -3.60 0.97 0.00 -0.13 0.00 0.00 32.58 29.73 1j23 s HIS 93 CO -0.12 -1.61 1.81 -1.35 -2.47 0.00 0.00 174.74 171.00 1j23 h PRO 94 N 3.68 0.52 0.00 2.88 0.11 -1.98 0.70 132.00 137.90 1j23 h PRO 94 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1j23 h PRO 94 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1j23 h PRO 94 CO 0.67 0.34 -0.07 -0.91 -0.21 0.00 0.00 178.00 177.82 1j23 h ASN 95 N 0.53 0.00 -0.36 -2.05 2.35 -1.98 0.51 115.58 114.58 1j23 h ASN 95 Ca 0.54 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.14 1j23 h ASN 95 Cb 1.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1j23 h ASN 95 CO -0.28 0.07 -0.36 0.00 -1.65 0.00 0.00 177.43 175.22 1j23 h ALA 96 N 1.93 0.63 -0.03 -0.83 0.00 -1.22 0.12 119.26 119.85 1j23 h ALA 96 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1j23 h ALA 96 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1j23 h ALA 96 CO 0.01 0.67 -0.12 0.82 0.00 0.00 0.00 179.25 180.64 1j23 h ILE 97 N 0.75 1.48 -0.48 0.00 2.04 -1.32 -2.67 117.51 117.32 1j23 h ILE 97 Ca 0.07 -1.60 0.04 0.00 1.00 0.00 0.00 64.86 64.37 1j23 h ILE 97 Cb 0.94 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 39.45 1j23 h ILE 97 CO 0.09 0.43 0.23 0.03 0.00 0.00 0.00 178.15 178.93 1j23 h ARG 98 N -0.46 0.44 -0.70 2.37 3.08 -0.92 -1.08 114.38 117.11 1j23 h ARG 98 Ca -0.01 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1j23 h ARG 98 Cb 0.77 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1j23 h ARG 98 CO 0.02 0.29 0.46 0.78 -1.07 0.00 0.00 179.97 180.45 1j23 h GLY 99 N 0.45 0.98 0.92 0.04 0.00 -0.82 -0.68 103.07 103.97 1j23 h GLY 99 Ca 0.21 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1j23 h GLY 99 CO -0.16 0.36 0.12 0.00 0.00 0.00 0.00 176.54 176.86 1j23 h ALA 100 N 1.25 0.40 -0.24 3.60 0.00 -1.09 -1.07 119.26 122.11 1j23 h ALA 100 Ca 0.25 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1j23 h ALA 100 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1j23 h ALA 100 CO -0.05 -0.01 0.14 0.82 0.00 0.00 0.00 179.25 180.15 1j23 h ILE 101 N 0.34 1.03 -0.68 0.00 2.04 -0.90 -0.96 117.51 118.37 1j23 h ILE 101 Ca 0.10 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1j23 h ILE 101 Cb 0.18 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1j23 h ILE 101 CO -0.01 0.05 0.40 0.00 0.00 0.00 0.00 178.15 178.59 1j23 h ALA 102 N 1.10 0.87 -0.15 1.87 0.00 -1.04 -1.56 119.26 120.35 1j23 h ALA 102 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j23 h ALA 102 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1j23 h ALA 102 CO -0.04 0.36 0.09 0.00 0.00 0.00 0.00 179.25 179.66 1j23 h ALA 103 N 1.20 0.20 -0.23 0.00 0.00 -0.78 0.34 119.26 120.00 1j23 h ALA 103 Ca 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1j23 h ALA 103 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j23 h ALA 103 CO -0.04 -0.30 0.04 0.28 0.00 0.00 0.00 179.25 179.23 1j23 h VAL 104 N 0.18 1.22 -0.02 0.00 2.07 -0.99 -0.92 116.25 117.79 1j23 h VAL 104 Ca 0.06 -0.74 -0.26 0.00 0.82 0.00 0.00 66.70 66.58 1j23 h VAL 104 Cb 0.02 1.27 0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1j23 h VAL 104 CO -0.01 0.23 -1.01 0.71 0.02 0.00 0.00 177.57 177.51 1j23 h THR 105 N 0.18 1.28 0.07 2.57 1.35 -1.26 -1.15 112.91 115.95 1j23 h THR 105 Ca 0.07 -2.21 -0.35 0.00 -0.55 0.00 0.00 66.41 63.38 1j23 h THR 105 Cb 0.31 2.32 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 1j23 h THR 105 CO 0.00 0.69 -1.94 0.52 -0.25 0.00 0.00 175.52 174.54 1j23 n VAL 106 N -3.87 1.66 -0.06 6.82 0.31 0.10 -3.38 118.33 119.92 1j23 n VAL 106 Ca -0.11 -0.47 -0.04 0.00 -0.01 0.00 0.00 64.34 63.71 1j23 n VAL 106 Cb 0.86 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 1j23 n VAL 106 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1j23 h ASP 107 N -0.28 0.00 1.41 4.52 1.82 -1.25 -3.35 116.42 119.28 1j23 h ASP 107 Ca -0.45 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 55.90 1j23 h ASP 107 Cb 1.81 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.82 1j23 h ASP 107 CO -0.05 0.66 0.00 -0.26 -1.61 0.00 0.00 179.24 177.98 1j23 h PHE 108 N -1.00 0.00 -1.53 0.28 0.04 -1.19 -3.47 116.94 110.06 1j23 h PHE 108 Ca -0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 1j23 h PHE 108 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1j23 h PHE 108 CO 0.07 0.00 -0.30 0.41 -0.60 0.00 0.00 178.31 177.89 1j23 n GLY 109 N 0.63 0.15 3.39 -1.45 0.00 -0.76 -4.99 105.19 102.17 1j23 n GLY 109 Ca 0.03 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1j23 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j23 s VAL 110 N -2.59 4.20 0.33 1.61 1.01 -0.51 -4.99 120.40 119.46 1j23 s VAL 110 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 1j23 s VAL 110 Cb 0.00 -3.10 -0.12 0.00 0.00 0.00 0.00 36.38 33.16 1j23 s VAL 110 CO 0.00 0.15 1.52 -2.65 0.00 0.00 0.00 175.10 174.12 1j23 n PRO 111 N 4.91 2.60 -3.95 2.72 -0.02 -1.26 -3.57 135.00 136.43 1j23 n PRO 111 Ca -0.15 0.92 -0.30 0.00 -2.02 0.00 0.00 63.50 61.95 1j23 n PRO 111 Cb 0.49 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.17 1j23 n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1j23 s ILE 112 N -0.51 2.47 0.07 4.25 1.01 -1.26 -0.84 121.20 126.39 1j23 s ILE 112 Ca 0.60 -3.12 -0.25 0.00 0.00 0.00 0.00 60.65 57.88 1j23 s ILE 112 Cb -0.50 -2.73 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 1j23 s ILE 112 CO 0.55 -0.77 0.76 -0.63 0.00 0.00 0.00 174.94 174.85 1j23 s ILE 113 N -0.06 4.66 -0.20 2.92 1.01 0.32 -4.89 121.20 124.94 1j23 s ILE 113 Ca 0.16 1.62 -0.11 0.00 0.00 0.00 0.00 60.65 62.32 1j23 s ILE 113 Cb -0.25 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1j23 s ILE 113 CO -0.01 0.41 0.16 -0.36 0.00 0.00 0.00 174.94 175.13 1j23 s PHE 114 N -0.34 3.39 0.04 3.97 0.08 -1.26 -1.00 117.98 122.87 1j23 s PHE 114 Ca 0.37 0.34 0.08 0.00 0.12 0.00 0.00 56.93 57.84 1j23 s PHE 114 Cb -0.21 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.00 1j23 s PHE 114 CO 0.23 0.23 -0.22 0.45 -0.10 0.00 0.00 175.22 175.82 1j23 s SER 115 N 0.53 3.50 0.11 1.36 0.15 0.02 -4.95 113.70 114.42 1j23 s SER 115 Ca 0.09 -0.50 0.20 0.00 0.70 0.00 0.00 55.95 56.43 1j23 s SER 115 Cb -0.12 -0.46 -0.09 0.00 -1.71 0.00 0.00 66.02 63.64 1j23 s SER 115 CO 0.00 0.26 0.88 -1.54 1.20 0.00 0.00 173.24 174.04 1j23 n SER 116 N 1.66 0.79 -3.96 5.45 3.41 -1.26 -0.45 113.62 119.26 1j23 n SER 116 Ca -0.17 0.32 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1j23 n SER 116 Cb 0.52 0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 64.83 1j23 n SER 116 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1j23 s THR 117 N -3.15 0.03 0.42 6.66 -4.23 -1.26 -4.20 115.64 109.90 1j23 s THR 117 Ca -0.02 -1.35 0.17 0.00 -1.18 0.00 0.00 61.69 59.31 1j23 s THR 117 Cb 0.09 -2.01 0.19 0.00 1.34 0.00 0.00 72.50 72.11 1j23 s THR 117 CO 0.81 -0.12 1.97 1.55 -0.54 0.00 0.00 174.62 178.29 1j23 h PRO 118 N 2.37 0.00 -0.56 3.99 0.13 -1.94 -1.33 132.00 134.66 1j23 h PRO 118 Ca -0.29 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1j23 h PRO 118 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1j23 h PRO 118 CO 0.41 0.22 0.06 0.93 -0.23 0.00 0.00 178.00 179.39 1j23 h GLU 119 N 0.00 0.95 -0.23 0.86 3.07 -1.94 -1.17 114.58 116.12 1j23 h GLU 119 Ca -0.00 -0.27 -0.13 0.00 -0.50 0.00 0.00 59.36 58.46 1j23 h GLU 119 Cb 0.42 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1j23 h GLU 119 CO 0.03 0.92 -0.38 1.49 -1.40 0.00 0.00 179.01 179.67 1j23 h GLU 120 N 0.84 0.52 -0.58 2.33 4.81 -1.77 -1.26 114.58 119.47 1j23 h GLU 120 Ca 0.17 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1j23 h GLU 120 Cb 0.45 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1j23 h GLU 120 CO 0.02 0.83 0.34 1.15 -0.73 0.00 0.00 179.01 180.61 1j23 h THR 121 N 0.44 1.18 -0.68 0.32 2.02 -0.97 -1.16 112.91 114.05 1j23 h THR 121 Ca 0.04 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1j23 h THR 121 Cb 0.86 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1j23 h THR 121 CO 0.07 0.19 0.35 0.00 0.37 0.00 0.00 175.52 176.51 1j23 h ALA 122 N 1.16 0.88 -0.80 6.16 0.00 -0.85 -1.44 119.26 124.37 1j23 h ALA 122 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1j23 h ALA 122 Cb 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1j23 h ALA 122 CO -0.04 0.42 0.47 1.96 0.00 0.00 0.00 179.25 182.06 1j23 h GLN 123 N 0.94 1.08 -0.17 0.00 1.08 -0.70 0.80 115.11 118.15 1j23 h GLN 123 Ca 0.24 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1j23 h GLN 123 Cb 0.08 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1j23 h GLN 123 CO -0.03 0.77 -0.02 1.88 -0.95 0.00 0.00 178.83 180.47 1j23 h TYR 124 N 1.10 0.34 -0.79 2.96 0.05 -0.84 -1.76 116.97 118.02 1j23 h TYR 124 Ca 0.29 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 59.04 1j23 h TYR 124 Cb -0.03 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.57 1j23 h TYR 124 CO 0.01 0.55 0.50 0.82 -1.05 0.00 0.00 178.16 178.98 1j23 h ILE 125 N 0.03 1.09 0.20 -2.88 2.04 -0.85 -1.33 117.51 115.81 1j23 h ILE 125 Ca 0.04 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1j23 h ILE 125 Cb 0.43 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1j23 h ILE 125 CO 0.01 0.17 -0.10 0.15 0.00 0.00 0.00 178.15 178.39 1j23 h PHE 126 N 0.96 -0.25 -0.11 1.37 3.04 -0.74 -0.65 116.94 120.55 1j23 h PHE 126 Ca 0.33 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.21 1j23 h PHE 126 Cb 0.06 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1j23 h PHE 126 CO -0.03 -0.08 -0.22 1.37 -2.02 0.00 0.00 178.31 177.33 1j23 h LEU 127 N -0.36 0.19 -0.16 0.59 8.10 -1.09 -0.73 115.31 121.84 1j23 h LEU 127 Ca -0.03 -0.05 -0.10 0.00 0.11 0.00 0.00 57.88 57.82 1j23 h LEU 127 Cb 0.28 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1j23 h LEU 127 CO 0.04 0.42 -0.27 0.40 -4.11 0.00 0.00 178.44 174.92 1j23 h ILE 128 N 0.18 1.35 -0.88 0.15 2.04 -1.14 -2.58 117.51 116.63 1j23 h ILE 128 Ca 0.03 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.39 1j23 h ILE 128 Cb 0.50 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1j23 h ILE 128 CO 0.03 0.45 0.55 0.00 0.00 0.00 0.00 178.15 179.18 1j23 h ALA 129 N 0.58 1.12 -0.59 1.87 0.00 -0.77 -1.47 119.26 120.00 1j23 h ALA 129 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1j23 h ALA 129 Cb 0.85 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1j23 h ALA 129 CO 0.06 0.56 0.26 -0.22 0.00 0.00 0.00 179.25 179.91 1j23 h LYS 130 N 1.20 0.86 -0.19 0.00 3.64 -1.12 -0.70 116.57 120.26 1j23 h LYS 130 Ca 0.32 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1j23 h LYS 130 Cb -0.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1j23 h LYS 130 CO -0.06 0.72 -0.16 0.00 -2.27 0.00 0.00 179.45 177.68 1j23 h ARG 131 N 0.80 0.32 -0.16 1.90 3.08 -1.04 -1.78 114.38 117.50 1j23 h ARG 131 Ca 0.20 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1j23 h ARG 131 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1j23 h ARG 131 CO -0.02 0.48 -0.02 1.49 -1.07 0.00 0.00 179.97 180.83 1j23 h GLU 132 N 0.30 0.30 -0.99 0.04 4.57 -0.67 0.43 114.58 118.57 1j23 h GLU 132 Ca 0.06 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1j23 h GLU 132 Cb 0.46 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 1j23 h GLU 132 CO 0.03 0.55 0.65 0.37 -1.18 0.00 0.00 179.01 179.43 1j23 h GLN 133 N 0.02 1.27 -0.22 1.92 4.15 -0.85 -2.39 115.11 119.01 1j23 h GLN 133 Ca 0.04 -0.08 -0.19 0.00 0.77 0.00 0.00 58.65 59.20 1j23 h GLN 133 Cb 0.43 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1j23 h GLN 133 CO 0.01 0.84 -0.61 0.93 -1.93 0.00 0.00 178.83 178.07 1j23 h GLU 134 N 1.31 0.75 0.00 1.69 5.08 -1.24 -3.52 114.58 118.64 1j23 h GLU 134 Ca 0.38 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1j23 h GLU 134 Cb -0.09 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1j23 h GLU 134 CO -0.10 1.13 0.00 -1.91 -1.00 0.00 0.00 179.01 177.13