#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 n SER 2 N 0.00 4.88 -0.28 1.61 2.88 -1.26 -4.91 113.62 116.55 1x53 n SER 2 Ca 0.00 -3.74 -0.07 0.00 -1.33 0.00 0.00 58.87 53.73 1x53 n SER 2 Cb 0.00 -0.42 -0.07 0.00 -0.75 0.00 0.00 64.21 62.97 1x53 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x53 n SER 3 N -0.58 -0.70 0.00 -3.46 7.64 -1.26 -4.77 113.62 110.49 1x53 n SER 3 Ca 0.42 1.25 0.00 0.00 1.01 0.00 0.00 58.87 61.55 1x53 n SER 3 Cb 0.79 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1x53 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x53 n GLY 4 N -1.17 -0.45 3.39 0.23 0.00 -1.26 -5.18 105.19 100.75 1x53 n GLY 4 Ca 0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1x53 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x53 s SER 5 N 0.00 1.94 0.11 1.61 1.04 -1.26 -5.10 113.70 112.04 1x53 s SER 5 Ca 0.00 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1x53 s SER 5 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1x53 s SER 5 CO 0.00 -0.87 0.00 -1.54 0.98 0.00 0.00 173.24 171.81 1x53 n SER 6 N -1.01 0.94 -3.32 7.02 3.41 -1.26 -5.09 113.62 114.31 1x53 n SER 6 Ca -0.01 0.17 -0.24 0.00 -0.26 0.00 0.00 58.87 58.53 1x53 n SER 6 Cb 0.65 -0.25 0.20 0.00 -0.26 0.00 0.00 64.21 64.55 1x53 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x53 n GLY 7 N 3.30 -2.80 3.73 5.00 0.00 -1.26 -5.04 105.19 108.13 1x53 n GLY 7 Ca 0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 1x53 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 8 N -2.51 4.79 0.43 -0.61 1.01 -1.26 -5.10 121.20 117.95 1x53 s ILE 8 Ca 0.56 -0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 1x53 s ILE 8 Cb -0.06 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 1x53 s ILE 8 CO 0.43 0.58 0.98 -2.16 0.00 0.00 0.00 174.94 174.77 1x53 s PRO 9 N -0.64 4.16 0.32 2.79 0.04 -1.26 -4.97 135.00 135.44 1x53 s PRO 9 Ca 0.11 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.42 1x53 s PRO 9 Cb -0.12 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1x53 s PRO 9 CO 0.02 -0.10 0.30 0.95 0.04 0.00 0.00 177.00 178.21 1x53 s THR 10 N -2.05 0.00 0.31 1.26 -4.23 -1.26 -0.17 115.64 109.50 1x53 s THR 10 Ca 0.62 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.14 1x53 s THR 10 Cb -0.12 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.22 1x53 s THR 10 CO 0.16 0.00 0.50 0.00 -0.54 0.00 0.00 174.62 174.74 1x53 s LYS 12 N -2.45 2.85 -0.48 0.00 2.20 -1.26 -1.86 119.74 118.73 1x53 s LYS 12 Ca 0.20 -0.50 0.04 0.00 -0.36 0.00 0.00 55.97 55.35 1x53 s LYS 12 Cb -0.02 -2.69 0.13 0.00 -1.51 0.00 0.00 37.83 33.74 1x53 s LYS 12 CO 0.15 0.68 0.23 0.42 -0.36 0.00 0.00 175.35 176.46 1x53 s ILE 13 N -0.89 2.37 -0.32 5.43 -1.09 0.93 -4.97 121.20 122.66 1x53 s ILE 13 Ca 0.14 -3.06 -0.13 0.00 -2.23 0.00 0.00 60.65 55.37 1x53 s ILE 13 Cb -0.11 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.08 1x53 s ILE 13 CO 0.03 -0.78 0.24 -0.89 -1.23 0.00 0.00 174.94 172.31 1x53 s THR 14 N -0.02 5.28 -0.13 2.92 2.01 -1.26 -1.97 115.64 122.46 1x53 s THR 14 Ca 0.16 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1x53 s THR 14 Cb -0.25 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.61 1x53 s THR 14 CO -0.02 0.06 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.04 1x53 s LEU 15 N 1.78 1.86 -0.38 4.42 1.43 -0.83 -4.98 118.68 121.97 1x53 s LEU 15 Ca 0.07 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1x53 s LEU 15 Cb -0.17 -1.25 0.10 0.00 0.03 0.00 0.00 46.19 44.90 1x53 s LEU 15 CO 0.11 0.01 0.15 -0.54 0.23 0.00 0.00 176.35 176.31 1x53 s LYS 16 N 1.10 1.96 -0.02 1.70 3.01 -1.26 -0.59 119.74 125.64 1x53 s LYS 16 Ca -0.02 -1.77 0.07 0.00 -1.01 0.00 0.00 55.97 53.24 1x53 s LYS 16 Cb -0.14 -3.47 -0.02 0.00 -1.01 0.00 0.00 37.83 33.19 1x53 s LYS 16 CO -0.05 -1.00 -0.24 -2.00 0.51 0.00 0.00 175.35 172.57 1x53 s GLU 17 N 1.11 2.01 -0.07 1.68 2.56 -1.01 -4.97 118.70 120.00 1x53 s GLU 17 Ca 0.07 -0.86 -0.09 0.00 0.00 0.00 0.00 54.97 54.09 1x53 s GLU 17 Cb -0.22 -1.91 -0.05 0.00 2.00 0.00 0.00 34.13 33.96 1x53 s GLU 17 CO -0.05 0.50 0.23 0.99 -0.56 0.00 0.00 175.26 176.38 1x53 s THR 18 N -0.52 5.35 0.00 -1.70 2.01 -1.26 -0.78 115.64 118.74 1x53 s THR 18 Ca 0.08 0.40 0.06 0.00 0.31 0.00 0.00 61.69 62.54 1x53 s THR 18 Cb -0.10 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1x53 s THR 18 CO -0.00 0.59 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.97 1x53 s PHE 19 N -1.07 2.57 -0.02 4.92 0.40 0.12 -4.76 117.98 120.14 1x53 s PHE 19 Ca 0.19 -0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 56.26 1x53 s PHE 19 Cb -0.14 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 41.89 1x53 s PHE 19 CO 0.08 0.19 1.94 1.28 0.70 0.00 0.00 175.22 179.40 1x53 n LEU 20 N 1.93 5.28 -4.10 -0.37 7.99 -0.70 0.09 117.00 127.13 1x53 n LEU 20 Ca -0.16 -2.42 -0.10 0.00 -0.01 0.00 0.00 56.01 53.32 1x53 n LEU 20 Cb 0.52 -1.08 -0.09 0.00 -0.11 0.00 0.00 43.42 42.66 1x53 n LEU 20 CO 0.26 0.99 -0.20 0.28 -1.51 0.00 0.00 177.39 177.21 1x53 s THR 21 N -0.18 0.08 0.48 -5.08 -1.32 -1.22 -4.84 115.64 103.55 1x53 s THR 21 Ca 0.02 -1.77 -0.19 0.00 -1.21 0.00 0.00 61.69 58.55 1x53 s THR 21 Cb 0.02 -2.06 -0.09 0.00 -1.51 0.00 0.00 72.50 68.86 1x53 s THR 21 CO -0.00 -0.34 0.97 -0.94 -2.21 0.00 0.00 174.62 172.10 1x53 s SER 22 N -3.04 6.73 0.08 8.08 1.04 -1.26 -2.08 113.70 123.26 1x53 s SER 22 Ca 0.24 1.65 -0.23 0.00 0.48 0.00 0.00 55.95 58.09 1x53 s SER 22 Cb 0.06 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 1x53 s SER 22 CO 0.03 -0.51 1.38 -0.65 0.98 0.00 0.00 173.24 174.47 1x53 h PRO 23 N 1.39 -0.36 -1.11 4.02 0.11 -1.86 -0.67 132.00 133.52 1x53 h PRO 23 Ca -0.48 0.02 0.41 0.00 0.11 0.00 0.00 66.00 66.07 1x53 h PRO 23 Cb 1.18 0.08 -0.16 0.00 0.11 0.00 0.00 31.00 32.22 1x53 h PRO 23 CO 0.61 -0.24 0.64 1.05 -0.21 0.00 0.00 178.00 179.85 1x53 h GLU 24 N -0.38 0.07 0.08 1.05 4.11 -1.94 0.37 114.58 117.94 1x53 h GLU 24 Ca 0.03 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 1x53 h GLU 24 Cb 0.46 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1x53 h GLU 24 CO -0.33 0.05 -0.04 1.49 0.07 0.00 0.00 179.01 180.25 1x53 h GLU 25 N 0.07 -0.11 -0.13 1.06 4.57 -1.51 -2.96 114.58 115.56 1x53 h GLU 25 Ca 0.83 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 59.06 1x53 h GLU 25 Cb 2.28 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.89 1x53 h GLU 25 CO -0.64 -0.07 0.27 1.25 -1.18 0.00 0.00 179.01 178.64 1x53 h LEU 26 N -0.13 0.00 -2.01 1.64 5.85 -0.84 0.13 115.31 119.96 1x53 h LEU 26 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1x53 h LEU 26 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1x53 h LEU 26 CO 0.02 0.00 0.00 0.22 -0.34 0.00 0.00 178.44 178.34 1x53 h TYR 27 N 0.00 0.00 0.00 1.25 3.20 -0.14 -2.91 116.97 118.37 1x53 h TYR 27 Ca 0.06 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.63 1x53 h TYR 27 Cb 0.61 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 1x53 h TYR 27 CO 0.00 0.00 -1.81 0.54 -1.64 0.00 0.00 178.16 175.25 1x53 n ARG 28 N -2.63 0.56 0.15 1.82 1.74 0.46 -3.24 116.66 115.52 1x53 n ARG 28 Ca -0.02 0.37 0.14 0.00 -0.77 0.00 0.00 57.85 57.57 1x53 n ARG 28 Cb 0.08 -1.57 0.43 0.00 -1.02 0.00 0.00 32.46 30.37 1x53 n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1x53 h VAL 29 N -1.00 0.06 0.00 1.55 2.07 -1.53 2.19 116.25 119.60 1x53 h VAL 29 Ca -0.45 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1x53 h VAL 29 Cb 1.36 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1x53 h VAL 29 CO -0.27 0.00 -1.93 0.49 0.02 0.00 0.00 177.57 175.87 1x53 n PHE 30 N -2.98 0.00 -1.04 1.57 3.01 -1.13 -4.09 117.46 112.80 1x53 n PHE 30 Ca 0.07 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.62 1x53 n PHE 30 Cb 0.93 -0.52 0.21 0.00 -0.01 0.00 0.00 39.48 40.09 1x53 n PHE 30 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1x53 n THR 31 N -2.26 2.13 -3.71 4.37 -2.24 0.52 -4.91 114.28 108.19 1x53 n THR 31 Ca -0.09 -2.07 -0.28 0.00 -2.27 0.00 0.00 64.05 59.34 1x53 n THR 31 Cb 0.61 -0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.43 1x53 n THR 31 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x53 s THR 32 N -2.86 0.53 0.07 4.28 2.01 0.62 -4.32 115.64 115.97 1x53 s THR 32 Ca 0.38 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 1x53 s THR 32 Cb 0.32 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1x53 s THR 32 CO 0.06 -0.41 1.26 -0.61 -0.69 0.00 0.00 174.62 174.23 1x53 h GLN 33 N 8.23 -0.08 -0.74 4.92 4.15 -1.86 -0.80 115.11 128.93 1x53 h GLN 33 Ca -0.16 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.33 1x53 h GLN 33 Cb 1.08 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.70 1x53 h GLN 33 CO 0.39 -0.05 -0.44 -1.91 -1.93 0.00 0.00 178.83 174.89 1x53 n GLU 34 N -4.06 -0.33 -0.30 1.69 2.13 -1.26 0.16 120.64 118.67 1x53 n GLU 34 Ca -0.00 1.34 0.28 0.00 0.66 0.00 0.00 57.16 59.44 1x53 n GLU 34 Cb 0.14 -1.98 0.63 0.00 0.27 0.00 0.00 31.44 30.51 1x53 n GLU 34 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1x53 h LEU 35 N 0.00 0.21 -0.12 4.31 3.38 -1.67 0.11 115.31 121.52 1x53 h LEU 35 Ca 0.12 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1x53 h LEU 35 Cb 0.30 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1x53 h LEU 35 CO -0.70 0.04 -0.19 0.58 0.09 0.00 0.00 178.44 178.27 1x53 h VAL 36 N 0.19 1.37 0.00 1.22 2.07 0.29 -2.83 116.25 118.56 1x53 h VAL 36 Ca 0.56 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1x53 h VAL 36 Cb 1.82 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1x53 h VAL 36 CO -0.14 0.41 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1x53 n GLN 37 N -4.53 0.22 -0.10 1.57 6.02 0.33 -1.50 117.38 119.39 1x53 n GLN 37 Ca -0.07 0.10 -0.21 0.00 -0.01 0.00 0.00 57.00 56.82 1x53 n GLN 37 Cb 0.40 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.04 1x53 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x53 h ALA 38 N 2.54 0.23 -0.00 -1.58 0.00 -1.16 -2.35 119.26 116.93 1x53 h ALA 38 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1x53 h ALA 38 Cb 0.05 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1x53 h ALA 38 CO 0.00 0.62 -0.13 1.97 0.00 0.00 0.00 179.25 181.71 1x53 n PHE 39 N -4.46 0.00 -0.01 0.00 1.16 -1.07 -3.64 117.46 109.45 1x53 n PHE 39 Ca -0.29 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.33 1x53 n PHE 39 Cb 0.65 -0.17 -0.08 0.00 -1.61 0.00 0.00 39.48 38.28 1x53 n PHE 39 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1x53 n THR 40 N -0.89 0.06 -3.74 1.97 -2.24 -0.56 -4.65 114.28 104.22 1x53 n THR 40 Ca 0.14 -0.24 -0.28 0.00 -2.27 0.00 0.00 64.05 61.40 1x53 n THR 40 Cb 0.29 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1x53 n THR 40 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1x53 n HIS 41 N -1.89 -1.59 -3.82 4.78 8.25 -0.88 -4.84 115.22 115.22 1x53 n HIS 41 Ca -0.03 0.50 -0.12 0.00 -0.26 0.00 0.00 57.72 57.81 1x53 n HIS 41 Cb 0.31 -2.15 -0.09 0.00 1.12 0.00 0.00 29.99 29.19 1x53 n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x53 s ALA 42 N -2.90 -0.50 -0.88 -1.41 0.00 -1.26 -4.98 121.76 109.82 1x53 s ALA 42 Ca 0.53 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 1x53 s ALA 42 Cb -0.30 0.15 -0.23 0.00 0.00 0.00 0.00 23.12 22.74 1x53 s ALA 42 CO 0.65 -0.27 2.35 -2.30 0.00 0.00 0.00 175.76 176.19 1x53 n PRO 43 N 1.16 0.28 -4.85 0.00 -0.02 -1.26 -4.55 135.00 125.76 1x53 n PRO 43 Ca -0.21 -0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 60.70 1x53 n PRO 43 Cb 0.57 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.77 1x53 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 s ALA 44 N 7.23 2.63 -0.33 3.55 0.00 -1.26 -3.38 121.76 130.20 1x53 s ALA 44 Ca 1.18 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1x53 s ALA 44 Cb -0.64 -0.90 0.10 0.00 0.00 0.00 0.00 23.12 21.69 1x53 s ALA 44 CO 0.38 0.56 0.08 0.99 0.00 0.00 0.00 175.76 177.78 1x53 s THR 45 N -0.78 1.42 -0.09 0.00 2.01 0.22 -4.84 115.64 113.59 1x53 s THR 45 Ca 0.12 -1.79 -0.01 0.00 0.31 0.00 0.00 61.69 60.32 1x53 s THR 45 Cb -0.11 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1x53 s THR 45 CO 0.02 -0.65 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.05 1x53 s LEU 46 N 1.31 3.40 -0.36 4.42 0.20 -1.26 -0.05 118.68 126.34 1x53 s LEU 46 Ca 0.10 0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.99 1x53 s LEU 46 Cb -0.18 -1.77 0.11 0.00 -0.43 0.00 0.00 46.19 43.93 1x53 s LEU 46 CO -0.18 0.35 0.15 -1.61 -0.29 0.00 0.00 176.35 174.77 1x53 s GLU 47 N -0.74 0.95 -0.63 1.98 0.41 -1.04 -4.17 118.70 115.46 1x53 s GLU 47 Ca 0.11 -1.47 -0.26 0.00 -0.41 0.00 0.00 54.97 52.95 1x53 s GLU 47 Cb -0.11 -2.15 -0.09 0.00 -1.78 0.00 0.00 34.13 30.00 1x53 s GLU 47 CO 0.02 -1.06 2.34 0.00 -0.49 0.00 0.00 175.26 176.08 1x53 s ALA 48 N 1.10 1.33 -0.26 5.21 0.00 -1.26 -4.29 121.76 123.59 1x53 s ALA 48 Ca 0.13 -0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.41 1x53 s ALA 48 Cb -0.20 -4.44 0.17 0.00 0.00 0.00 0.00 23.12 18.65 1x53 s ALA 48 CO -0.14 -4.97 1.25 0.34 0.00 0.00 0.00 175.76 172.24 1x53 s ASP 49 N 11.21 -0.18 -0.53 0.00 2.15 -1.26 -5.01 116.67 123.06 1x53 s ASP 49 Ca 0.92 0.25 -0.26 0.00 0.43 0.00 0.00 52.55 53.89 1x53 s ASP 49 Cb -0.15 0.22 -0.08 0.00 -0.30 0.00 0.00 42.92 42.62 1x53 s ASP 49 CO 0.18 -0.12 2.42 0.54 -0.17 0.00 0.00 175.17 178.02 1x53 n ARG 50 N 1.04 0.98 0.00 4.34 1.74 -1.26 -0.18 116.66 123.31 1x53 n ARG 50 Ca -0.07 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1x53 n ARG 50 Cb 0.58 -3.47 0.00 0.00 -1.02 0.00 0.00 32.46 28.54 1x53 n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x53 n GLY 51 N 6.10 0.69 3.33 -0.13 0.00 0.48 -4.97 105.19 110.69 1x53 n GLY 51 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 1x53 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x53 s GLY 52 N -0.82 1.43 -0.07 -0.02 0.00 0.74 -4.47 107.32 104.11 1x53 s GLY 52 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.88 1x53 s GLY 52 CO 0.00 0.13 -0.21 0.54 0.00 0.00 0.00 173.10 173.56 1x53 s LYS 53 N -5.17 2.44 -0.20 2.90 3.01 -1.26 -2.14 119.74 119.33 1x53 s LYS 53 Ca 0.69 -0.77 0.01 0.00 -1.01 0.00 0.00 55.97 54.90 1x53 s LYS 53 Cb -0.12 -1.98 0.03 0.00 -1.01 0.00 0.00 37.83 34.76 1x53 s LYS 53 CO 0.57 0.24 -0.15 -0.59 0.51 0.00 0.00 175.35 175.93 1x53 s PHE 54 N 0.16 2.73 -0.05 3.18 -0.12 -1.22 -2.50 117.98 120.16 1x53 s PHE 54 Ca -0.10 -1.73 0.06 0.00 -0.05 0.00 0.00 56.93 55.11 1x53 s PHE 54 Cb -0.15 -1.82 -0.02 0.00 -0.63 0.00 0.00 43.02 40.40 1x53 s PHE 54 CO 0.05 -0.79 -0.23 -1.58 -0.05 0.00 0.00 175.22 172.62 1x53 s HIS 55 N 1.30 2.48 0.32 3.49 2.46 0.93 -2.50 115.29 123.77 1x53 s HIS 55 Ca 0.01 -0.55 -0.00 0.00 0.47 0.00 0.00 55.06 54.98 1x53 s HIS 55 Cb -0.15 -1.60 -0.01 0.00 -0.13 0.00 0.00 32.58 30.69 1x53 s HIS 55 CO -0.10 -0.11 0.40 0.00 -2.47 0.00 0.00 174.74 172.46 1x53 s MET 56 N -0.33 1.80 -1.14 2.88 0.23 0.07 0.69 119.30 123.49 1x53 s MET 56 Ca 0.02 -1.79 -0.02 0.00 -1.03 0.00 0.00 55.69 52.87 1x53 s MET 56 Cb -0.12 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.55 1x53 s MET 56 CO 0.02 -0.72 0.97 0.28 -2.03 0.00 0.00 175.02 173.54 1x53 n VAL 57 N -0.55 -7.30 -1.98 5.16 0.31 -1.26 -0.92 118.33 111.80 1x53 n VAL 57 Ca 0.03 -0.85 -0.17 0.00 -0.01 0.00 0.00 64.34 63.34 1x53 n VAL 57 Cb 0.62 -5.62 -0.04 0.00 -0.91 0.00 0.00 33.84 27.89 1x53 n VAL 57 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1x53 n ASP 58 N -3.17 -4.82 -0.16 4.52 9.92 -1.25 -1.15 116.55 120.44 1x53 n ASP 58 Ca -0.20 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1x53 n ASP 58 Cb 0.65 -4.18 0.00 0.00 -0.64 0.00 0.00 41.12 36.95 1x53 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x53 n GLY 59 N -0.63 0.79 0.01 0.44 0.00 -0.78 -4.89 105.19 100.12 1x53 n GLY 59 Ca -0.19 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.26 1x53 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x53 n ASN 60 N 1.47 0.73 -3.82 1.61 3.02 -0.09 -4.77 115.26 113.41 1x53 n ASN 60 Ca 0.00 -0.36 -0.26 0.00 -0.03 0.00 0.00 54.58 53.93 1x53 n ASN 60 Cb 0.41 1.54 -0.17 0.00 -0.61 0.00 0.00 39.78 40.94 1x53 n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x53 s VAL 61 N -3.10 0.74 0.44 2.41 1.01 -0.73 0.81 120.40 121.98 1x53 s VAL 61 Ca -0.02 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1x53 s VAL 61 Cb 0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1x53 s VAL 61 CO 0.78 0.12 0.04 -0.94 0.00 0.00 0.00 175.10 175.10 1x53 s SER 62 N 1.80 3.53 0.00 3.32 1.04 -1.15 -0.75 113.70 121.49 1x53 s SER 62 Ca 0.02 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.91 1x53 s SER 62 Cb -0.14 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1x53 s SER 62 CO -0.07 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1x53 n GLY 63 N -1.03 0.64 3.36 7.32 0.00 -1.04 -2.84 105.19 111.59 1x53 n GLY 63 Ca -0.10 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 1x53 n GLY 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x53 s GLU 64 N -0.14 0.53 -0.11 1.61 -1.05 -1.23 -3.43 118.70 114.87 1x53 s GLU 64 Ca 0.00 0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 55.20 1x53 s GLU 64 Cb 0.00 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.91 1x53 s GLU 64 CO 0.00 -0.08 1.01 -0.06 0.95 0.00 0.00 175.26 177.08 1x53 s PHE 65 N 0.42 3.50 -0.17 4.83 0.40 -0.91 -0.72 117.98 125.33 1x53 s PHE 65 Ca -0.01 1.59 0.06 0.00 -0.60 0.00 0.00 56.93 57.96 1x53 s PHE 65 Cb -0.04 -3.19 -0.15 0.00 0.51 0.00 0.00 43.02 40.15 1x53 s PHE 65 CO -0.01 -0.25 -0.08 0.25 0.70 0.00 0.00 175.22 175.83 1x53 n THR 66 N 4.58 1.07 -3.88 0.64 -2.24 0.11 0.18 114.28 114.73 1x53 n THR 66 Ca 0.09 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 1x53 n THR 66 Cb 0.49 -0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 67.65 1x53 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x53 s ASP 67 N -5.45 0.02 -0.22 3.42 2.15 -0.66 -4.79 116.67 111.14 1x53 s ASP 67 Ca -0.18 -0.09 -0.04 0.00 0.43 0.00 0.00 52.55 52.67 1x53 s ASP 67 Cb 0.06 0.18 0.09 0.00 -0.30 0.00 0.00 42.92 42.95 1x53 s ASP 67 CO 0.51 -0.20 0.20 -0.76 -0.17 0.00 0.00 175.17 174.75 1x53 s LEU 68 N -0.74 0.02 -0.09 -1.34 1.43 -1.26 -2.03 118.68 114.68 1x53 s LEU 68 Ca -0.08 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1x53 s LEU 68 Cb -0.05 0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.35 1x53 s LEU 68 CO 0.00 -0.35 -0.02 -0.69 0.23 0.00 0.00 176.35 175.53 1x53 s VAL 69 N 2.27 4.15 -0.38 -1.59 1.01 -0.93 -5.04 120.40 119.89 1x53 s VAL 69 Ca 0.07 -0.31 -0.38 0.00 0.00 0.00 0.00 61.98 61.36 1x53 s VAL 69 Cb -0.16 -2.74 -0.14 0.00 0.00 0.00 0.00 36.38 33.35 1x53 s VAL 69 CO -0.17 0.59 2.13 -2.65 0.00 0.00 0.00 175.10 175.01 1x53 n PRO 70 N 2.32 0.82 -3.40 2.72 -0.02 -1.26 -2.22 135.00 133.96 1x53 n PRO 70 Ca -0.18 0.23 -0.17 0.00 -2.02 0.00 0.00 63.50 61.36 1x53 n PRO 70 Cb 0.53 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 1x53 n PRO 70 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1x53 n GLU 71 N 7.76 -0.95 0.05 -0.52 1.02 -1.26 -4.67 120.64 122.06 1x53 n GLU 71 Ca 0.43 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1x53 n GLU 71 Cb 0.15 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1x53 n GLU 71 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x53 n LYS 72 N -2.80 0.00 -3.58 3.49 5.02 -0.94 -4.83 118.16 114.52 1x53 n LYS 72 Ca -0.14 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.07 1x53 n LYS 72 Cb 0.35 -0.34 -0.02 0.00 -0.02 0.00 0.00 35.03 35.00 1x53 n LYS 72 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x53 s HIS 73 N -2.00 -0.29 -0.03 2.13 -3.43 -1.24 -2.13 115.29 108.30 1x53 s HIS 73 Ca 0.00 0.09 -0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1x53 s HIS 73 Cb 0.00 0.57 0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1x53 s HIS 73 CO 0.00 -0.67 0.02 0.42 -2.00 0.00 0.00 174.74 172.51 1x53 s ILE 74 N -3.24 0.04 -0.20 -5.38 1.01 0.85 -2.19 121.20 112.10 1x53 s ILE 74 Ca 0.07 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1x53 s ILE 74 Cb -0.01 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.29 1x53 s ILE 74 CO -0.06 0.13 -0.16 -0.69 0.00 0.00 0.00 174.94 174.17 1x53 s VAL 75 N 1.29 2.32 0.26 2.92 1.01 -0.86 0.69 120.40 128.03 1x53 s VAL 75 Ca -0.06 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1x53 s VAL 75 Cb -0.13 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1x53 s VAL 75 CO -0.03 0.46 0.41 0.00 0.00 0.00 0.00 175.10 175.94 1x53 s MET 76 N 1.31 1.57 0.26 2.72 0.23 0.43 0.05 119.30 125.87 1x53 s MET 76 Ca 0.04 -1.44 -0.07 0.00 -1.03 0.00 0.00 55.69 53.19 1x53 s MET 76 Cb -0.14 0.43 -0.06 0.00 -1.53 0.00 0.00 34.83 33.53 1x53 s MET 76 CO -0.10 -0.63 0.55 0.15 -2.03 0.00 0.00 175.02 172.96 1x53 s LYS 77 N -3.81 3.71 0.00 3.16 1.02 0.11 -0.07 119.74 123.86 1x53 s LYS 77 Ca 0.27 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1x53 s LYS 77 Cb 0.01 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.67 1x53 s LYS 77 CO 0.12 0.26 -0.01 -0.46 -0.92 0.00 0.00 175.35 174.33 1x53 s TRP 78 N -1.97 0.12 0.05 3.18 -0.00 0.11 -3.56 118.94 116.87 1x53 s TRP 78 Ca 0.46 -0.08 -0.28 0.00 -0.00 0.00 0.00 56.10 56.19 1x53 s TRP 78 Cb -0.11 -0.08 0.09 0.00 -0.00 0.00 0.00 33.47 33.37 1x53 s TRP 78 CO 0.26 -0.02 1.03 -0.98 -0.00 0.00 0.00 176.95 177.23 1x53 s ARG 79 N -0.22 0.86 0.31 5.86 1.70 -1.13 0.51 118.95 126.84 1x53 s ARG 79 Ca -0.02 -0.43 0.06 0.00 -0.47 0.00 0.00 55.73 54.88 1x53 s ARG 79 Cb -0.02 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1x53 s ARG 79 CO -0.00 -0.39 0.43 -0.06 -1.08 0.00 0.00 175.30 174.20 1x53 s PHE 80 N -3.00 3.19 -1.61 5.89 0.08 -1.26 -2.95 117.98 118.31 1x53 s PHE 80 Ca 0.10 -0.17 0.22 0.00 0.12 0.00 0.00 56.93 57.20 1x53 s PHE 80 Cb -0.00 -1.87 1.15 0.00 -0.57 0.00 0.00 43.02 41.74 1x53 s PHE 80 CO -0.03 0.12 1.69 1.17 -0.10 0.00 0.00 175.22 178.07 1x53 n LYS 81 N -1.56 0.43 -0.01 0.44 0.00 0.24 -2.60 118.16 115.10 1x53 n LYS 81 Ca -0.03 0.06 0.04 0.00 0.00 0.00 0.00 58.31 58.39 1x53 n LYS 81 Cb 0.58 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 34.02 1x53 n LYS 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x53 n SER 82 N -1.19 2.27 -4.46 3.14 7.64 -1.26 -5.03 113.62 114.73 1x53 n SER 82 Ca 0.12 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.67 1x53 n SER 82 Cb 0.14 1.44 0.12 0.00 -1.01 0.00 0.00 64.21 64.90 1x53 n SER 82 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1x53 n TRP 83 N -1.98 -1.04 -2.23 1.43 7.02 -1.07 -4.93 117.44 114.64 1x53 n TRP 83 Ca -0.04 0.27 -0.37 0.00 -1.02 0.00 0.00 57.50 56.33 1x53 n TRP 83 Cb 0.39 -1.83 -0.01 0.00 -2.42 0.00 0.00 31.31 27.44 1x53 n TRP 83 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1x53 s PRO 84 N -3.70 3.71 0.68 -0.99 0.04 -1.26 -4.96 135.00 128.52 1x53 s PRO 84 Ca 0.59 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.26 1x53 s PRO 84 Cb -0.23 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 1x53 s PRO 84 CO 0.65 -0.60 0.74 -1.91 0.04 0.00 0.00 177.00 175.92 1x53 n GLU 85 N -0.54 0.50 -3.66 4.56 0.00 -1.26 -2.31 120.64 117.93 1x53 n GLU 85 Ca 0.08 0.21 -0.28 0.00 0.00 0.00 0.00 57.16 57.17 1x53 n GLU 85 Cb 0.48 -1.99 0.01 0.00 0.00 0.00 0.00 31.44 29.94 1x53 n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x53 n GLY 86 N 1.44 -0.49 2.64 8.31 0.00 -1.26 -4.94 105.19 110.88 1x53 n GLY 86 Ca 0.12 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 1x53 n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x53 s HIS 87 N -3.14 1.23 0.37 1.61 2.46 -0.98 -5.12 115.29 111.71 1x53 s HIS 87 Ca 0.54 -1.60 0.06 0.00 0.47 0.00 0.00 55.06 54.53 1x53 s HIS 87 Cb -0.28 -1.40 -0.07 0.00 -0.13 0.00 0.00 32.58 30.70 1x53 s HIS 87 CO 0.67 -0.84 0.03 -0.06 -2.47 0.00 0.00 174.74 172.07 1x53 s PHE 88 N 1.46 2.25 -0.09 3.88 0.40 -1.26 -4.75 117.98 119.86 1x53 s PHE 88 Ca 0.12 -0.80 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 1x53 s PHE 88 Cb -0.19 -1.53 -0.00 0.00 0.51 0.00 0.00 43.02 41.81 1x53 s PHE 88 CO -0.20 0.24 -0.23 0.00 0.70 0.00 0.00 175.22 175.73 1x53 s ALA 89 N -2.99 2.21 -0.63 5.36 0.00 0.18 -4.78 121.76 121.11 1x53 s ALA 89 Ca 0.36 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 1x53 s ALA 89 Cb 0.09 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1x53 s ALA 89 CO 0.17 0.32 1.30 0.99 0.00 0.00 0.00 175.76 178.54 1x53 s THR 90 N 0.21 3.84 -0.14 0.00 2.01 -0.94 0.05 115.64 120.66 1x53 s THR 90 Ca -0.14 0.66 -0.06 0.00 0.31 0.00 0.00 61.69 62.46 1x53 s THR 90 Cb -0.17 -4.70 -0.04 0.00 0.01 0.00 0.00 72.50 67.61 1x53 s THR 90 CO 0.07 -1.47 0.06 -0.63 -0.69 0.00 0.00 174.62 171.96 1x53 s ILE 91 N 5.63 4.76 -0.31 1.82 1.09 0.90 -1.26 121.20 133.83 1x53 s ILE 91 Ca 0.43 -0.06 -0.00 0.00 -1.10 0.00 0.00 60.65 59.92 1x53 s ILE 91 Cb -0.09 -3.09 0.10 0.00 -1.06 0.00 0.00 42.46 38.32 1x53 s ILE 91 CO 0.22 0.53 0.09 -0.89 -0.10 0.00 0.00 174.94 174.79 1x53 s THR 92 N -0.23 1.07 0.40 2.92 2.01 -0.34 -0.43 115.64 121.04 1x53 s THR 92 Ca 0.08 -1.52 -0.13 0.00 0.31 0.00 0.00 61.69 60.42 1x53 s THR 92 Cb -0.12 -1.80 -0.08 0.00 0.01 0.00 0.00 72.50 70.51 1x53 s THR 92 CO 0.01 -0.66 0.80 -0.76 -0.69 0.00 0.00 174.62 173.33 1x53 s LEU 93 N 1.52 3.88 -0.02 4.42 1.43 0.22 -2.48 118.68 127.64 1x53 s LEU 93 Ca 0.10 1.28 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1x53 s LEU 93 Cb -0.17 -4.14 0.02 0.00 0.03 0.00 0.00 46.19 41.93 1x53 s LEU 93 CO -0.23 -0.37 0.04 -0.89 0.23 0.00 0.00 176.35 175.13 1x53 s THR 94 N -2.28 -0.04 -0.24 5.49 2.01 -1.16 -0.11 115.64 119.31 1x53 s THR 94 Ca 0.54 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.60 1x53 s THR 94 Cb -0.10 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 1x53 s THR 94 CO 0.26 0.06 0.10 -0.36 -0.69 0.00 0.00 174.62 173.99 1x53 s PHE 95 N 0.74 3.16 0.04 4.92 0.40 -0.90 -2.11 117.98 124.23 1x53 s PHE 95 Ca -0.06 -0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 1x53 s PHE 95 Cb -0.09 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1x53 s PHE 95 CO -0.02 -0.20 -0.13 0.42 0.70 0.00 0.00 175.22 175.99 1x53 s ILE 96 N 1.40 3.16 -0.13 0.64 1.01 -1.17 -4.75 121.20 121.36 1x53 s ILE 96 Ca 0.06 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.46 1x53 s ILE 96 Cb -0.15 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1x53 s ILE 96 CO 0.05 0.31 0.40 -0.62 0.00 0.00 0.00 174.94 175.07 1x53 s ASP 97 N -1.60 6.58 -0.02 3.58 -1.08 -1.26 -2.66 116.67 120.20 1x53 s ASP 97 Ca 0.17 0.68 0.04 0.00 -0.52 0.00 0.00 52.55 52.92 1x53 s ASP 97 Cb -0.11 -2.24 0.06 0.00 -1.46 0.00 0.00 42.92 39.17 1x53 s ASP 97 CO 0.08 0.05 0.93 0.29 0.52 0.00 0.00 175.17 177.04 1x53 n LYS 98 N 3.59 1.89 -2.48 4.34 4.76 -0.88 -4.99 118.16 124.39 1x53 n LYS 98 Ca -0.09 -1.48 -0.06 0.00 -2.87 0.00 0.00 58.31 53.81 1x53 n LYS 98 Cb 0.52 -0.97 0.03 0.00 -1.84 0.00 0.00 35.03 32.77 1x53 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x53 n ASN 99 N -0.55 -2.14 0.00 4.39 5.15 -1.26 -4.45 115.26 116.40 1x53 n ASN 99 Ca 0.03 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1x53 n ASN 99 Cb 0.40 -2.15 0.00 0.00 -0.53 0.00 0.00 39.78 37.50 1x53 n ASN 99 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x53 n GLY 100 N -1.07 2.40 3.51 8.20 0.00 -1.26 -5.12 105.19 111.84 1x53 n GLY 100 Ca -0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1x53 n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x53 s GLU 101 N 0.00 1.74 -0.09 1.61 2.02 -1.26 -3.38 118.70 119.34 1x53 s GLU 101 Ca 0.00 -1.95 0.01 0.00 0.02 0.00 0.00 54.97 53.05 1x53 s GLU 101 Cb 0.00 -1.25 0.02 0.00 0.10 0.00 0.00 34.13 33.00 1x53 s GLU 101 CO 0.00 -0.06 -0.09 0.99 0.02 0.00 0.00 175.26 176.12 1x53 s THR 102 N -2.98 1.01 -0.57 3.63 2.01 0.11 -2.08 115.64 116.77 1x53 s THR 102 Ca 0.34 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 1x53 s THR 102 Cb 0.07 -0.99 0.07 0.00 0.01 0.00 0.00 72.50 71.66 1x53 s THR 102 CO 0.16 0.35 0.77 -0.70 -0.69 0.00 0.00 174.62 174.50 1x53 s GLU 103 N 1.27 3.13 -0.59 4.92 2.12 -1.09 0.15 118.70 128.62 1x53 s GLU 103 Ca -0.03 -0.89 -0.25 0.00 0.36 0.00 0.00 54.97 54.16 1x53 s GLU 103 Cb -0.14 -4.16 0.04 0.00 0.26 0.00 0.00 34.13 30.13 1x53 s GLU 103 CO -0.03 -1.48 1.02 -1.17 -0.54 0.00 0.00 175.26 173.06 1x53 s LEU 104 N 3.16 3.93 -0.76 2.70 2.96 0.04 -3.02 118.68 127.70 1x53 s LEU 104 Ca 0.18 -0.36 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 1x53 s LEU 104 Cb -0.19 -2.82 0.16 0.00 0.50 0.00 0.00 46.19 43.84 1x53 s LEU 104 CO 0.11 -1.36 0.81 0.00 -1.32 0.00 0.00 176.35 174.60 1x53 s MET 106 N 1.62 4.70 -0.32 0.00 1.75 0.24 -3.00 119.30 124.28 1x53 s MET 106 Ca 0.18 1.40 -0.01 0.00 -1.25 0.00 0.00 55.69 56.01 1x53 s MET 106 Cb -0.15 -3.35 0.11 0.00 2.84 0.00 0.00 34.83 34.29 1x53 s MET 106 CO -0.04 0.31 0.13 -2.00 -0.65 0.00 0.00 175.02 172.78 1x53 s GLU 107 N -0.34 0.62 -0.16 4.11 2.12 -1.04 -1.96 118.70 122.05 1x53 s GLU 107 Ca 0.44 -1.06 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 1x53 s GLU 107 Cb -0.24 -1.72 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 1x53 s GLU 107 CO 0.29 -1.04 0.02 0.20 -0.54 0.00 0.00 175.26 174.19 1x53 s GLY 108 N 1.54 1.84 -0.15 -1.50 0.00 -0.83 -1.19 107.32 107.03 1x53 s GLY 108 Ca 0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1x53 s GLY 108 CO -0.23 -0.10 -0.03 1.09 0.00 0.00 0.00 173.10 173.84 1x53 s ARG 109 N 0.13 1.16 0.00 2.90 1.70 -0.39 -0.05 118.95 124.40 1x53 s ARG 109 Ca 0.02 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 1x53 s ARG 109 Cb -0.13 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 32.42 1x53 s ARG 109 CO 0.01 -0.44 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 1x53 n GLY 110 N 4.96 0.31 3.68 3.88 0.00 -0.92 -2.22 105.19 114.87 1x53 n GLY 110 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1x53 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 111 N -1.10 3.77 0.04 -0.61 1.09 -0.78 -4.60 121.20 119.01 1x53 s ILE 111 Ca 0.00 1.06 -0.37 0.00 -1.10 0.00 0.00 60.65 60.24 1x53 s ILE 111 Cb 0.00 -3.69 -0.17 0.00 -1.06 0.00 0.00 42.46 37.55 1x53 s ILE 111 CO 0.00 -0.04 1.38 -2.65 -0.10 0.00 0.00 174.94 173.53 1x53 n PRO 112 N 6.04 1.11 -0.33 2.79 -0.02 -1.26 0.15 135.00 143.48 1x53 n PRO 112 Ca 0.14 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1x53 n PRO 112 Cb 0.44 -2.04 0.14 0.00 -0.02 0.00 0.00 33.50 32.01 1x53 n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 h ALA 113 N 4.80 1.23 0.00 3.55 0.00 -0.79 0.94 119.26 128.98 1x53 h ALA 113 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1x53 h ALA 113 Cb 1.34 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x53 h ALA 113 CO 0.79 0.37 0.00 -0.35 0.00 0.00 0.00 179.25 180.07 1x53 n PRO 114 N -4.56 0.40 0.00 0.00 -0.04 -1.26 -2.75 135.00 126.80 1x53 n PRO 114 Ca 0.13 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1x53 n PRO 114 Cb 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1x53 n PRO 114 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x53 n GLU 115 N -1.21 0.69 -0.08 0.54 -0.58 -0.12 -4.87 120.64 115.01 1x53 n GLU 115 Ca 0.12 -0.24 -0.02 0.00 -0.42 0.00 0.00 57.16 56.59 1x53 n GLU 115 Cb 0.14 -0.70 -0.02 0.00 -0.57 0.00 0.00 31.44 30.30 1x53 n GLU 115 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1x53 n GLU 116 N -0.17 -0.08 0.03 3.49 2.13 0.31 -0.13 120.64 126.22 1x53 n GLU 116 Ca 0.00 1.07 -0.10 0.00 0.66 0.00 0.00 57.16 58.79 1x53 n GLU 116 Cb 0.06 -1.60 -0.07 0.00 0.27 0.00 0.00 31.44 30.11 1x53 n GLU 116 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1x53 h GLU 117 N 0.00 -0.41 -1.00 5.31 4.11 -1.86 -1.00 114.58 119.72 1x53 h GLU 117 Ca 0.03 0.03 0.36 0.00 0.07 0.00 0.00 59.36 59.85 1x53 h GLU 117 Cb 0.07 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.24 1x53 h GLU 117 CO -0.17 -0.28 0.34 -0.09 0.07 0.00 0.00 179.01 178.88 1x53 h ARG 118 N -0.43 0.00 0.91 1.06 2.43 -1.74 1.06 114.38 117.68 1x53 h ARG 118 Ca 0.01 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1x53 h ARG 118 Cb 0.47 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1x53 h ARG 118 CO -0.25 0.00 -0.46 1.15 -1.51 0.00 0.00 179.97 178.90 1x53 h THR 119 N 0.00 0.00 0.00 0.20 2.02 0.80 -2.46 112.91 113.47 1x53 h THR 119 Ca 0.75 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.93 1x53 h THR 119 Cb 1.85 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1x53 h THR 119 CO -0.83 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 173.92 1x53 n ARG 120 N -5.44 0.19 0.02 6.66 0.63 0.21 -1.94 116.66 116.98 1x53 n ARG 120 Ca -0.16 0.43 -0.05 0.00 -0.92 0.00 0.00 57.85 57.16 1x53 n ARG 120 Cb 0.50 -1.87 0.16 0.00 0.45 0.00 0.00 32.46 31.71 1x53 n ARG 120 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1x53 h GLN 121 N 0.00 0.48 -0.32 -0.14 4.20 0.15 -3.30 115.11 116.19 1x53 h GLN 121 Ca 0.00 -0.21 -0.25 0.00 0.06 0.00 0.00 58.65 58.24 1x53 h GLN 121 Cb 0.34 -0.01 -0.32 0.00 0.30 0.00 0.00 27.48 27.78 1x53 h GLN 121 CO 0.00 0.76 -0.89 0.41 -0.67 0.00 0.00 178.83 178.44 1x53 n GLY 122 N -0.19 3.49 0.02 3.46 0.00 -1.04 -4.75 105.19 106.18 1x53 n GLY 122 Ca -0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 1x53 n GLY 122 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x53 n TRP 123 N -0.47 0.13 0.17 1.61 -0.00 -0.82 -4.46 117.44 113.61 1x53 n TRP 123 Ca 0.19 0.06 0.02 0.00 -0.00 0.00 0.00 57.50 57.76 1x53 n TRP 123 Cb 0.90 -0.27 0.34 0.00 -0.00 0.00 0.00 31.31 32.28 1x53 n TRP 123 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1x53 h GLN 124 N -0.22 0.02 -0.68 5.87 4.20 -1.86 0.10 115.11 122.53 1x53 h GLN 124 Ca 0.00 -0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.90 1x53 h GLN 124 Cb 0.16 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1x53 h GLN 124 CO 0.00 0.41 0.64 0.00 -0.67 0.00 0.00 178.83 179.21 1x53 h ARG 125 N 0.02 0.00 0.00 1.46 2.47 -1.85 0.44 114.38 116.91 1x53 h ARG 125 Ca -0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1x53 h ARG 125 Cb 0.69 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 1x53 h ARG 125 CO 0.05 0.00 -1.22 0.66 0.56 0.00 0.00 179.97 180.02 1x53 n TYR 126 N -3.79 0.00 0.12 3.04 4.01 -1.05 -3.22 117.16 116.26 1x53 n TYR 126 Ca 0.14 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.83 1x53 n TYR 126 Cb 0.89 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 39.74 1x53 n TYR 126 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1x53 h TYR 127 N 0.00 -0.29 0.00 -0.72 -1.99 -0.39 -3.30 116.97 110.28 1x53 h TYR 127 Ca -0.09 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1x53 h TYR 127 Cb 1.17 0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.00 1x53 h TYR 127 CO 0.00 -0.18 -0.16 1.19 -0.00 0.00 0.00 178.16 179.02 1x53 n PHE 128 N -3.10 0.15 -0.45 4.88 3.72 -0.42 -3.74 117.46 118.50 1x53 n PHE 128 Ca -0.04 0.06 0.36 0.00 -0.05 0.00 0.00 57.45 57.79 1x53 n PHE 128 Cb 0.12 -0.29 0.58 0.00 -0.94 0.00 0.00 39.48 38.96 1x53 n PHE 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1x53 n GLU 129 N -2.86 -0.02 0.00 -1.08 -0.58 0.14 0.11 120.64 116.36 1x53 n GLU 129 Ca -0.02 0.92 -0.12 0.00 -0.42 0.00 0.00 57.16 57.52 1x53 n GLU 129 Cb 0.08 -1.94 -0.09 0.00 -0.57 0.00 0.00 31.44 28.91 1x53 n GLU 129 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1x53 h GLY 130 N 0.00 -0.10 0.52 0.62 0.00 -1.62 -3.27 103.07 99.22 1x53 h GLY 130 Ca 0.71 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 48.06 1x53 h GLY 130 CO -0.21 -0.04 -0.13 -2.22 0.00 0.00 0.00 176.54 173.94 1x53 h ILE 131 N -0.76 0.67 -0.79 2.60 2.04 0.63 0.38 117.51 122.27 1x53 h ILE 131 Ca -0.01 -0.80 0.33 0.00 1.00 0.00 0.00 64.86 65.38 1x53 h ILE 131 Cb 0.60 1.04 -0.14 0.00 -0.74 0.00 0.00 36.82 37.58 1x53 h ILE 131 CO 0.02 0.14 0.43 0.29 0.00 0.00 0.00 178.15 179.03 1x53 n LYS 132 N -5.06 -0.05 -0.11 2.37 5.02 0.72 0.33 118.16 121.38 1x53 n LYS 132 Ca -0.09 1.06 -0.23 0.00 -2.02 0.00 0.00 58.31 57.04 1x53 n LYS 132 Cb 0.26 -1.92 -0.10 0.00 -0.02 0.00 0.00 35.03 33.25 1x53 n LYS 132 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1x53 n GLN 133 N -4.72 0.56 0.08 1.97 6.02 -1.20 -0.12 117.38 119.96 1x53 n GLN 133 Ca 0.30 0.44 -0.15 0.00 -0.01 0.00 0.00 57.00 57.57 1x53 n GLN 133 Cb 1.01 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 30.54 1x53 n GLN 133 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1x53 h THR 134 N -1.00 0.00 0.00 5.09 2.02 0.17 -2.67 112.91 116.52 1x53 h THR 134 Ca -0.43 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 1x53 h THR 134 Cb 1.34 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1x53 h THR 134 CO -0.26 0.00 -0.63 -0.26 0.37 0.00 0.00 175.52 174.74 1x53 h PHE 135 N -0.67 0.00 -0.21 3.16 -1.00 -0.33 -3.48 116.94 114.41 1x53 h PHE 135 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1x53 h PHE 135 Cb 0.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1x53 h PHE 135 CO -0.48 0.22 0.00 0.41 -1.61 0.00 0.00 178.31 176.84 1x53 n GLY 136 N 1.20 1.06 2.19 -1.45 0.00 -0.84 -4.98 105.19 102.37 1x53 n GLY 136 Ca 0.00 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 1x53 n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x53 n TYR 137 N -2.12 3.01 -4.06 1.61 4.01 0.83 -4.80 117.16 115.64 1x53 n TYR 137 Ca 0.00 -2.07 -0.23 0.00 -0.16 0.00 0.00 57.90 55.44 1x53 n TYR 137 Cb 0.27 -1.02 -0.06 0.00 -0.31 0.00 0.00 39.34 38.22 1x53 n TYR 137 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1x53 s GLY 138 N -1.49 1.95 0.00 2.72 0.00 -0.46 -1.72 107.32 108.33 1x53 s GLY 138 Ca 0.58 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1x53 s GLY 138 CO 0.08 -1.75 0.00 0.00 0.00 0.00 0.00 173.10 171.43 1x53 n ALA 139 N -1.19 1.99 -3.84 3.20 0.00 -1.26 -4.69 120.51 114.72 1x53 n ALA 139 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1x53 n ALA 139 Cb 0.61 0.38 0.01 0.00 0.00 0.00 0.00 19.45 20.45 1x53 n ALA 139 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x53 s SER 140 N -3.73 -0.04 0.66 0.00 0.01 -1.26 -5.18 113.70 104.15 1x53 s SER 140 Ca 0.00 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1x53 s SER 140 Cb 0.00 0.58 0.10 0.00 0.21 0.00 0.00 66.02 66.91 1x53 s SER 140 CO 0.00 -1.13 0.91 -0.83 0.41 0.00 0.00 173.24 172.60 1x53 s GLY 141 N -3.22 1.77 0.30 3.44 0.00 -1.26 -5.01 107.32 103.34 1x53 s GLY 141 Ca 0.18 -1.71 0.15 0.00 0.00 0.00 0.00 44.72 43.34 1x53 s GLY 141 CO 0.06 -1.22 1.57 -0.56 0.00 0.00 0.00 173.10 172.94 1x53 h PRO 142 N -0.27 0.00 -0.26 2.90 0.13 -2.02 -3.30 132.00 129.17 1x53 h PRO 142 Ca -0.37 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1x53 h PRO 142 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1x53 h PRO 142 CO 0.43 0.52 -0.09 1.03 -0.23 0.00 0.00 178.00 179.65 1x53 h SER 143 N 0.00 -0.32 -3.44 1.44 0.87 -2.08 -3.38 113.55 106.64 1x53 h SER 143 Ca -0.01 0.09 -0.59 0.00 -1.23 0.00 0.00 61.79 60.06 1x53 h SER 143 Cb 1.19 0.19 -0.38 0.00 -0.44 0.00 0.00 62.40 62.97 1x53 h SER 143 CO 0.07 -0.12 -0.80 -0.94 -0.53 0.00 0.00 176.83 174.51 1x53 s SER 144 N -5.18 3.30 0.00 6.23 1.04 -1.24 -5.30 113.70 112.55 1x53 s SER 144 Ca -0.14 -0.88 0.23 0.00 0.48 0.00 0.00 55.95 55.64 1x53 s SER 144 Cb 0.12 -1.08 0.18 0.00 0.10 0.00 0.00 66.02 65.35 1x53 s SER 144 CO 0.69 -0.19 1.24 0.61 0.98 0.00 0.00 173.24 176.57