#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x53 s SER 2 N 0.00 4.85 -0.09 1.61 0.01 -1.26 -5.06 113.70 113.75 1x53 s SER 2 Ca 0.00 -0.44 -0.32 0.00 1.31 0.00 0.00 55.95 56.50 1x53 s SER 2 Cb 0.00 -1.84 0.13 0.00 0.21 0.00 0.00 66.02 64.51 1x53 s SER 2 CO 0.00 -0.08 1.22 -0.94 0.41 0.00 0.00 173.24 173.85 1x53 s SER 3 N 1.53 -0.11 0.00 2.44 1.04 -1.26 -5.19 113.70 112.15 1x53 s SER 3 Ca 0.05 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1x53 s SER 3 Cb -0.15 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1x53 s SER 3 CO 0.01 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1x53 n GLY 4 N -0.28 2.24 3.60 7.32 0.00 -1.26 -5.18 105.19 111.62 1x53 n GLY 4 Ca -0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1x53 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x53 s SER 5 N 0.00 -0.35 -0.07 1.61 0.15 -1.26 -5.12 113.70 108.66 1x53 s SER 5 Ca 0.00 0.47 -0.33 0.00 0.70 0.00 0.00 55.95 56.80 1x53 s SER 5 Cb 0.00 0.41 -0.11 0.00 -1.71 0.00 0.00 66.02 64.62 1x53 s SER 5 CO 0.00 -0.25 1.94 -1.20 1.20 0.00 0.00 173.24 174.93 1x53 n SER 6 N 1.12 3.61 0.00 5.45 7.64 -1.26 -4.66 113.62 125.53 1x53 n SER 6 Ca -0.10 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1x53 n SER 6 Cb 0.57 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1x53 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x53 n GLY 7 N 4.60 -3.19 3.80 0.23 0.00 -1.26 -4.95 105.19 104.42 1x53 n GLY 7 Ca 0.23 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.83 5.14 0.39 -0.61 1.01 -1.26 -5.09 121.20 119.95 1x53 s ILE 8 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.48 1x53 s ILE 8 Cb 0.00 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.14 1x53 s ILE 8 CO 0.00 0.59 1.04 -2.16 0.00 0.00 0.00 174.94 174.40 1x53 s PRO 9 N -0.74 4.20 0.32 2.79 0.04 -1.26 -4.97 135.00 135.39 1x53 s PRO 9 Ca 0.13 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1x53 s PRO 9 Cb -0.12 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1x53 s PRO 9 CO 0.03 -0.11 0.27 0.95 0.04 0.00 0.00 177.00 178.18 1x53 s THR 10 N -1.68 0.00 0.29 1.26 -4.23 -1.26 -0.21 115.64 109.82 1x53 s THR 10 Ca 0.57 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1x53 s THR 10 Cb -0.21 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.15 1x53 s THR 10 CO 0.27 0.00 0.46 0.00 -0.54 0.00 0.00 174.62 174.81 1x53 s LYS 12 N -2.48 2.99 -0.57 0.00 2.20 -1.26 -2.50 119.74 118.12 1x53 s LYS 12 Ca 0.20 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.42 1x53 s LYS 12 Cb -0.02 -2.81 0.16 0.00 -1.51 0.00 0.00 37.83 33.65 1x53 s LYS 12 CO 0.15 0.69 0.38 0.42 -0.36 0.00 0.00 175.35 176.62 1x53 s ILE 13 N -0.97 2.10 -0.33 5.43 -1.09 -0.23 -4.98 121.20 121.14 1x53 s ILE 13 Ca 0.16 -3.49 -0.13 0.00 -2.23 0.00 0.00 60.65 54.96 1x53 s ILE 13 Cb -0.11 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 1x53 s ILE 13 CO 0.05 -0.99 0.24 -0.89 -1.23 0.00 0.00 174.94 172.12 1x53 s THR 14 N -0.64 5.28 -0.14 2.92 2.01 -1.26 -2.36 115.64 121.45 1x53 s THR 14 Ca 0.23 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1x53 s THR 14 Cb -0.11 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.72 1x53 s THR 14 CO -0.11 0.03 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.88 1x53 s LEU 15 N 1.75 2.16 -0.31 4.42 1.43 0.21 -4.97 118.68 123.37 1x53 s LEU 15 Ca 0.07 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1x53 s LEU 15 Cb -0.17 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.67 1x53 s LEU 15 CO 0.11 0.09 -0.00 -0.54 0.23 0.00 0.00 176.35 176.23 1x53 s LYS 16 N 0.78 1.98 0.13 1.70 1.02 -1.26 0.04 119.74 124.14 1x53 s LYS 16 Ca -0.08 -1.57 0.06 0.00 0.02 0.00 0.00 55.97 54.40 1x53 s LYS 16 Cb -0.16 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1x53 s LYS 16 CO -0.01 -0.76 -0.14 -2.00 -0.92 0.00 0.00 175.35 171.52 1x53 s GLU 17 N 1.06 1.07 -0.02 1.68 2.12 -1.15 -5.00 118.70 118.46 1x53 s GLU 17 Ca 0.00 -1.30 -0.01 0.00 0.36 0.00 0.00 54.97 54.03 1x53 s GLU 17 Cb -0.20 -0.92 -0.04 0.00 0.26 0.00 0.00 34.13 33.23 1x53 s GLU 17 CO -0.05 0.17 0.08 0.99 -0.54 0.00 0.00 175.26 175.91 1x53 s THR 18 N -2.31 4.76 0.01 -1.70 2.01 -1.26 -0.77 115.64 116.38 1x53 s THR 18 Ca 0.11 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 61.85 1x53 s THR 18 Cb -0.04 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1x53 s THR 18 CO 0.03 0.40 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.77 1x53 s PHE 19 N -1.15 2.41 -0.01 4.92 0.40 0.17 -4.82 117.98 119.90 1x53 s PHE 19 Ca 0.21 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.18 1x53 s PHE 19 Cb -0.12 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 1x53 s PHE 19 CO 0.12 0.11 2.10 1.28 0.70 0.00 0.00 175.22 179.52 1x53 n LEU 20 N 1.99 5.38 -3.99 -0.37 7.99 -0.84 -0.02 117.00 127.14 1x53 n LEU 20 Ca -0.16 -2.49 -0.10 0.00 -0.01 0.00 0.00 56.01 53.25 1x53 n LEU 20 Cb 0.52 -1.14 -0.07 0.00 -0.11 0.00 0.00 43.42 42.61 1x53 n LEU 20 CO 0.24 1.06 0.00 0.28 -1.51 0.00 0.00 177.39 177.46 1x53 s THR 21 N -0.02 0.04 0.53 -5.08 -1.32 -1.23 -4.84 115.64 103.73 1x53 s THR 21 Ca 0.05 -1.46 -0.15 0.00 -1.21 0.00 0.00 61.69 58.92 1x53 s THR 21 Cb 0.03 -2.00 -0.07 0.00 -1.51 0.00 0.00 72.50 68.95 1x53 s THR 21 CO -0.00 -0.19 0.99 -0.44 -2.21 0.00 0.00 174.62 172.77 1x53 s SER 22 N -3.00 6.55 0.13 8.08 0.01 -1.26 -1.64 113.70 122.56 1x53 s SER 22 Ca 0.21 1.54 -0.32 0.00 1.31 0.00 0.00 55.95 58.69 1x53 s SER 22 Cb 0.03 -2.50 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 1x53 s SER 22 CO 0.03 -0.64 1.56 -0.65 0.41 0.00 0.00 173.24 173.95 1x53 h PRO 23 N 0.68 -0.48 -0.53 12.44 0.11 -1.88 -2.16 132.00 140.18 1x53 h PRO 23 Ca -0.46 0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.77 1x53 h PRO 23 Cb 1.19 0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 1x53 h PRO 23 CO 0.62 -0.32 -0.38 1.05 -0.21 0.00 0.00 178.00 178.76 1x53 h GLU 24 N -0.50 -0.21 -0.80 1.05 4.11 -1.94 0.73 114.58 117.01 1x53 h GLU 24 Ca 0.06 0.01 0.19 0.00 0.07 0.00 0.00 59.36 59.70 1x53 h GLU 24 Cb 0.65 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.82 1x53 h GLU 24 CO -0.49 -0.14 0.23 1.49 0.07 0.00 0.00 179.01 180.17 1x53 h GLU 25 N -0.22 0.27 -0.00 1.06 4.57 -1.81 0.90 114.58 119.34 1x53 h GLU 25 Ca 0.19 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1x53 h GLU 25 Cb 0.56 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1x53 h GLU 25 CO -0.65 0.18 -0.11 -0.11 -1.18 0.00 0.00 179.01 177.14 1x53 n LEU 26 N -5.16 0.13 0.15 1.64 7.94 0.26 -3.42 117.00 118.54 1x53 n LEU 26 Ca 0.17 0.35 0.01 0.00 -1.11 0.00 0.00 56.01 55.43 1x53 n LEU 26 Cb 0.55 -0.41 0.19 0.00 0.53 0.00 0.00 43.42 44.28 1x53 n LEU 26 CO 0.11 0.03 0.53 0.22 -1.11 0.00 0.00 177.39 177.16 1x53 h TYR 27 N 0.04 0.00 0.07 1.96 3.20 0.69 -3.25 116.97 119.68 1x53 h TYR 27 Ca 0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.59 1x53 h TYR 27 Cb 0.47 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1x53 h TYR 27 CO 0.00 0.56 -1.52 0.00 -1.64 0.00 0.00 178.16 175.56 1x53 h ARG 28 N 0.00 0.15 -0.86 1.82 -0.00 -1.50 -3.01 114.38 110.98 1x53 h ARG 28 Ca -0.01 -0.26 0.25 0.00 -0.50 0.00 0.00 59.98 59.47 1x53 h ARG 28 Cb 1.10 0.10 -0.03 0.00 0.00 0.00 0.00 29.97 31.13 1x53 h ARG 28 CO 0.07 1.12 0.86 0.28 0.00 0.00 0.00 179.97 182.31 1x53 h VAL 29 N -0.47 0.21 0.00 2.04 2.07 -1.63 2.15 116.25 120.61 1x53 h VAL 29 Ca -0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1x53 h VAL 29 Cb 1.65 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1x53 h VAL 29 CO -0.04 0.00 -1.86 0.49 0.02 0.00 0.00 177.57 176.18 1x53 n PHE 30 N -3.61 0.00 -1.21 1.57 3.01 -1.23 -4.15 117.46 111.84 1x53 n PHE 30 Ca 0.18 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.70 1x53 n PHE 30 Cb 1.15 -0.43 0.20 0.00 -0.01 0.00 0.00 39.48 40.38 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 -2.15 2.19 -3.70 4.37 -2.24 0.35 -4.92 114.28 108.18 1x53 n THR 31 Ca -0.03 -2.41 -0.28 0.00 -2.27 0.00 0.00 64.05 59.06 1x53 n THR 31 Cb 0.50 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.00 0.51 0.17 4.28 2.01 0.64 -4.38 115.64 115.87 1x53 s THR 32 Ca 0.38 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 1x53 s THR 32 Cb 0.34 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.70 1x53 s THR 32 CO 0.02 -0.41 1.56 -0.61 -0.69 0.00 0.00 174.62 174.50 1x53 h GLN 33 N 8.23 -0.20 -0.20 4.92 4.15 -1.86 -0.47 115.11 129.68 1x53 h GLN 33 Ca -0.16 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.30 1x53 h GLN 33 Cb 1.08 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.76 1x53 h GLN 33 CO 0.38 -0.13 -0.37 1.49 -1.93 0.00 0.00 178.83 178.27 1x53 h GLU 34 N -0.21 -0.31 -1.10 1.69 4.81 -1.91 0.22 114.58 117.78 1x53 h GLU 34 Ca 0.18 0.02 0.30 0.00 -0.13 0.00 0.00 59.36 59.74 1x53 h GLU 34 Cb 0.56 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.93 1x53 h GLU 34 CO -0.72 -0.20 0.75 -0.07 -0.73 0.00 0.00 179.01 178.04 1x53 h LEU 35 N -0.32 0.23 -0.35 1.64 3.38 -1.70 0.36 115.31 118.54 1x53 h LEU 35 Ca 0.04 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1x53 h LEU 35 Cb 0.43 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1x53 h LEU 35 CO -0.36 0.03 -0.42 0.58 0.09 0.00 0.00 178.44 178.37 1x53 h VAL 36 N 0.20 1.27 0.00 1.22 2.07 0.96 -2.67 116.25 119.30 1x53 h VAL 36 Ca 0.58 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1x53 h VAL 36 Cb 1.87 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1x53 h VAL 36 CO -0.17 0.53 0.00 0.00 0.02 0.00 0.00 177.57 177.95 1x53 n GLN 37 N -4.06 0.42 -0.09 1.57 6.02 0.12 -1.85 117.38 119.50 1x53 n GLN 37 Ca -0.03 0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 56.86 1x53 n GLN 37 Cb 0.56 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.23 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 3.03 0.18 -0.01 -1.58 0.00 -1.07 -2.69 119.26 117.12 1x53 h ALA 38 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1x53 h ALA 38 Cb 0.10 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x53 h ALA 38 CO 0.00 0.59 -0.01 1.97 0.00 0.00 0.00 179.25 181.80 1x53 n PHE 39 N -4.50 0.00 0.05 0.00 1.16 -1.19 -3.45 117.46 109.53 1x53 n PHE 39 Ca -0.24 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.38 1x53 n PHE 39 Cb 0.54 -0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.34 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 -0.55 0.00 -4.39 1.97 -2.24 -0.77 -4.73 114.28 103.57 1x53 n THR 40 Ca 0.21 -0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 1x53 n THR 40 Cb 0.22 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.67 -1.29 -3.55 4.78 8.25 -1.01 -4.75 115.22 115.97 1x53 n HIS 41 Ca -0.01 0.67 -0.17 0.00 -0.26 0.00 0.00 57.72 57.95 1x53 n HIS 41 Cb 0.18 -2.46 -0.06 0.00 1.12 0.00 0.00 29.99 28.77 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 -3.75 -1.60 -0.87 -1.41 0.00 -1.26 -4.94 121.76 107.93 1x53 s ALA 42 Ca 0.44 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 53.31 1x53 s ALA 42 Cb -0.26 0.06 -0.23 0.00 0.00 0.00 0.00 23.12 22.70 1x53 s ALA 42 CO 1.00 -0.37 2.37 -2.30 0.00 0.00 0.00 175.76 176.46 1x53 n PRO 43 N 0.89 0.29 -4.78 0.00 -0.02 -1.26 -4.57 135.00 125.55 1x53 n PRO 43 Ca -0.19 -0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 60.73 1x53 n PRO 43 Cb 0.57 -2.15 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 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 7.47 2.77 -0.34 3.55 0.00 -1.26 -3.73 121.76 130.22 1x53 s ALA 44 Ca 1.18 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1x53 s ALA 44 Cb -0.66 -1.10 0.10 0.00 0.00 0.00 0.00 23.12 21.46 1x53 s ALA 44 CO 0.38 0.51 0.07 0.99 0.00 0.00 0.00 175.76 177.71 1x53 s THR 45 N -0.57 1.89 -0.10 0.00 2.01 0.30 -4.83 115.64 114.34 1x53 s THR 45 Ca 0.08 -2.11 -0.01 0.00 0.31 0.00 0.00 61.69 59.97 1x53 s THR 45 Cb -0.12 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1x53 s THR 45 CO 0.02 -0.63 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.03 1x53 s LEU 46 N 1.07 3.13 -0.36 4.42 0.20 -1.26 0.13 118.68 126.00 1x53 s LEU 46 Ca 0.11 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.85 1x53 s LEU 46 Cb -0.19 -1.70 0.11 0.00 -0.43 0.00 0.00 46.19 43.98 1x53 s LEU 46 CO -0.13 0.28 0.13 -1.61 -0.29 0.00 0.00 176.35 174.73 1x53 s GLU 47 N -0.29 1.16 -0.65 1.98 0.41 -0.86 -4.08 118.70 116.36 1x53 s GLU 47 Ca 0.04 -1.63 -0.26 0.00 -0.41 0.00 0.00 54.97 52.71 1x53 s GLU 47 Cb -0.13 -2.52 -0.07 0.00 -1.78 0.00 0.00 34.13 29.63 1x53 s GLU 47 CO 0.02 -1.02 2.23 0.00 -0.49 0.00 0.00 175.26 176.00 1x53 s ALA 48 N 0.98 1.50 -0.24 5.21 0.00 -1.26 -4.31 121.76 123.64 1x53 s ALA 48 Ca 0.12 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 1x53 s ALA 48 Cb -0.20 -4.43 0.17 0.00 0.00 0.00 0.00 23.12 18.66 1x53 s ALA 48 CO -0.13 -4.78 1.22 0.34 0.00 0.00 0.00 175.76 172.42 1x53 s ASP 49 N 10.39 -0.17 -0.53 0.00 2.15 -1.26 -5.01 116.67 122.23 1x53 s ASP 49 Ca 0.86 0.20 -0.26 0.00 0.43 0.00 0.00 52.55 53.77 1x53 s ASP 49 Cb -0.13 0.15 -0.08 0.00 -0.30 0.00 0.00 42.92 42.56 1x53 s ASP 49 CO 0.16 -0.15 2.42 -0.13 -0.17 0.00 0.00 175.17 177.30 1x53 s ARG 50 N -0.97 2.01 0.00 4.34 0.52 -1.26 -0.23 118.95 123.36 1x53 s ARG 50 Ca 0.05 1.29 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1x53 s ARG 50 Cb -0.01 -4.62 0.00 0.00 0.52 0.00 0.00 34.95 30.84 1x53 s ARG 50 CO -0.05 -3.47 0.00 0.41 0.02 0.00 0.00 175.30 172.21 1x53 n GLY 51 N 6.13 0.68 3.64 -3.53 0.00 0.57 -4.96 105.19 107.70 1x53 n GLY 51 Ca 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.15 1.62 -0.04 -0.02 0.00 0.68 -4.34 107.32 104.07 1x53 s GLY 52 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1x53 s GLY 52 CO 0.00 0.68 0.00 0.54 0.00 0.00 0.00 173.10 174.32 1x53 s LYS 53 N -4.70 2.87 -0.14 2.90 3.01 -1.26 -0.33 119.74 122.10 1x53 s LYS 53 Ca 0.66 -0.53 -0.00 0.00 -1.01 0.00 0.00 55.97 55.09 1x53 s LYS 53 Cb -0.22 -2.72 0.03 0.00 -1.01 0.00 0.00 37.83 33.91 1x53 s LYS 53 CO 0.60 0.66 -0.08 -0.59 0.51 0.00 0.00 175.35 176.45 1x53 s PHE 54 N -1.01 1.66 -0.07 3.18 -0.12 -1.20 -2.03 117.98 118.40 1x53 s PHE 54 Ca 0.17 -0.94 0.05 0.00 -0.05 0.00 0.00 56.93 56.16 1x53 s PHE 54 Cb -0.11 -1.31 -0.01 0.00 -0.63 0.00 0.00 43.02 40.96 1x53 s PHE 54 CO 0.07 -0.57 -0.23 -1.58 -0.05 0.00 0.00 175.22 172.86 1x53 s HIS 55 N 1.65 2.27 0.15 3.49 2.46 0.12 -2.55 115.29 122.89 1x53 s HIS 55 Ca 0.03 -0.75 -0.10 0.00 0.47 0.00 0.00 55.06 54.71 1x53 s HIS 55 Cb -0.14 -1.51 -0.00 0.00 -0.13 0.00 0.00 32.58 30.80 1x53 s HIS 55 CO -0.08 -0.26 0.30 0.00 -2.47 0.00 0.00 174.74 172.22 1x53 s MET 56 N 0.04 1.13 -0.33 2.88 0.23 -0.66 0.11 119.30 122.71 1x53 s MET 56 Ca -0.08 -1.10 -0.01 0.00 -1.03 0.00 0.00 55.69 53.47 1x53 s MET 56 Cb -0.14 0.39 -0.01 0.00 -1.53 0.00 0.00 34.83 33.53 1x53 s MET 56 CO 0.05 -0.42 0.28 0.28 -2.03 0.00 0.00 175.02 173.18 1x53 n VAL 57 N -0.20 -2.49 -3.49 5.16 0.31 -1.26 -1.95 118.33 114.41 1x53 n VAL 57 Ca -0.09 -0.26 -0.26 0.00 -0.01 0.00 0.00 64.34 63.73 1x53 n VAL 57 Cb 0.63 -3.59 0.02 0.00 -0.91 0.00 0.00 33.84 29.98 1x53 n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1x53 n ASP 58 N -1.79 -4.69 -2.43 4.52 2.03 -1.26 -1.77 116.55 111.15 1x53 n ASP 58 Ca -0.06 -0.51 -0.11 0.00 0.52 0.00 0.00 54.79 54.64 1x53 n ASP 58 Cb 0.54 -3.80 0.05 0.00 -0.72 0.00 0.00 41.12 37.19 1x53 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x53 n GLY 59 N -1.45 -0.02 0.02 0.27 0.00 -1.24 -4.95 105.19 97.82 1x53 n GLY 59 Ca -0.01 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.09 3.28 -3.91 1.61 3.02 -0.73 -4.77 115.26 111.67 1x53 n ASN 60 Ca -0.14 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.13 1x53 n ASN 60 Cb 0.59 1.06 -0.16 0.00 -0.61 0.00 0.00 39.78 40.65 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 -2.37 1.15 0.39 2.41 1.01 -0.82 0.17 120.40 122.34 1x53 s VAL 61 Ca -0.03 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1x53 s VAL 61 Cb 0.04 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.07 1x53 s VAL 61 CO 0.30 0.20 0.03 -0.94 0.00 0.00 0.00 175.10 174.69 1x53 s SER 62 N 1.62 3.35 0.00 3.32 1.04 -1.15 -1.65 113.70 120.23 1x53 s SER 62 Ca 0.02 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1x53 s SER 62 Cb -0.15 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1x53 s SER 62 CO -0.08 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1x53 n GLY 63 N -0.89 0.85 3.26 7.32 0.00 -1.06 -2.92 105.19 111.74 1x53 n GLY 63 Ca -0.05 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.31 0.42 -0.06 1.61 -1.05 -1.24 -3.25 118.70 114.82 1x53 s GLU 64 Ca 0.00 0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 55.10 1x53 s GLU 64 Cb 0.00 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 1x53 s GLU 64 CO 0.00 -0.08 1.07 -0.06 0.95 0.00 0.00 175.26 177.14 1x53 s PHE 65 N 0.50 3.44 -0.13 4.83 0.40 0.55 -1.14 117.98 126.44 1x53 s PHE 65 Ca -0.02 1.48 0.06 0.00 -0.60 0.00 0.00 56.93 57.85 1x53 s PHE 65 Cb -0.04 -3.26 -0.12 0.00 0.51 0.00 0.00 43.02 40.11 1x53 s PHE 65 CO -0.03 -0.57 -0.04 0.25 0.70 0.00 0.00 175.22 175.53 1x53 n THR 66 N 4.41 0.83 -3.86 0.64 -2.24 0.12 0.21 114.28 114.39 1x53 n THR 66 Ca 0.09 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1x53 n THR 66 Cb 0.48 -0.86 -0.13 0.00 -2.10 0.00 0.00 70.33 67.72 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 -4.93 -0.03 -0.17 3.42 -1.08 -0.40 -4.77 116.67 108.70 1x53 s ASP 67 Ca -0.13 0.05 -0.04 0.00 -0.52 0.00 0.00 52.55 51.91 1x53 s ASP 67 Cb 0.04 0.11 0.07 0.00 -1.46 0.00 0.00 42.92 41.69 1x53 s ASP 67 CO 0.41 -0.05 0.16 -0.76 0.52 0.00 0.00 175.17 175.45 1x53 s LEU 68 N -0.13 0.06 -0.06 -1.34 1.43 -1.26 -1.58 118.68 115.80 1x53 s LEU 68 Ca -0.02 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1x53 s LEU 68 Cb -0.01 0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.31 1x53 s LEU 68 CO 0.00 -0.32 -0.15 -0.69 0.23 0.00 0.00 176.35 175.42 1x53 s VAL 69 N 2.25 2.96 -0.37 -1.59 1.01 -0.85 -5.04 120.40 118.77 1x53 s VAL 69 Ca 0.04 -0.75 -0.38 0.00 0.00 0.00 0.00 61.98 60.89 1x53 s VAL 69 Cb -0.15 -2.16 -0.14 0.00 0.00 0.00 0.00 36.38 33.93 1x53 s VAL 69 CO -0.10 0.58 2.11 -2.65 0.00 0.00 0.00 175.10 175.04 1x53 n PRO 70 N 2.46 0.85 -3.37 2.72 -0.02 -1.26 -2.21 135.00 134.16 1x53 n PRO 70 Ca -0.17 0.25 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 1x53 n PRO 70 Cb 0.52 -2.18 -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 7.58 -0.96 0.07 -0.52 1.02 -1.26 -4.67 120.64 121.91 1x53 n GLU 71 Ca 0.42 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1x53 n GLU 71 Cb 0.15 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.75 0.00 -3.58 3.49 5.02 -0.94 -4.81 118.16 114.59 1x53 n LYS 72 Ca -0.14 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.07 1x53 n LYS 72 Cb 0.34 -0.33 -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 -0.31 -0.03 2.13 -3.43 -1.24 -2.09 115.29 108.31 1x53 s HIS 73 Ca 0.00 0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.34 1x53 s HIS 73 Cb 0.00 0.58 0.03 0.00 -1.43 0.00 0.00 32.58 31.76 1x53 s HIS 73 CO 0.00 -0.73 0.05 0.42 -2.00 0.00 0.00 174.74 172.48 1x53 s ILE 74 N -3.35 -0.06 -0.19 -5.38 1.01 -0.73 -2.02 121.20 110.49 1x53 s ILE 74 Ca 0.07 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.93 1x53 s ILE 74 Cb -0.01 -0.11 0.03 0.00 0.01 0.00 0.00 42.46 42.37 1x53 s ILE 74 CO -0.05 0.08 -0.17 -0.69 0.00 0.00 0.00 174.94 174.11 1x53 s VAL 75 N 1.07 2.00 0.26 2.92 1.01 -0.62 0.42 120.40 127.46 1x53 s VAL 75 Ca -0.09 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1x53 s VAL 75 Cb -0.12 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1x53 s VAL 75 CO -0.04 0.41 0.40 0.00 0.00 0.00 0.00 175.10 175.88 1x53 s MET 76 N 1.29 1.56 0.29 2.72 0.23 0.02 0.16 119.30 125.56 1x53 s MET 76 Ca 0.02 -1.45 -0.07 0.00 -1.03 0.00 0.00 55.69 53.16 1x53 s MET 76 Cb -0.14 0.42 -0.06 0.00 -1.53 0.00 0.00 34.83 33.52 1x53 s MET 76 CO -0.11 -0.63 0.58 0.15 -2.03 0.00 0.00 175.02 172.99 1x53 s LYS 77 N -3.82 3.71 -0.00 3.16 1.02 -0.29 -0.06 119.74 123.46 1x53 s LYS 77 Ca 0.28 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1x53 s LYS 77 Cb 0.01 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1x53 s LYS 77 CO 0.12 0.21 -0.01 -0.46 -0.92 0.00 0.00 175.35 174.29 1x53 s TRP 78 N -2.04 0.09 0.06 3.18 -0.00 0.11 -3.72 118.94 116.63 1x53 s TRP 78 Ca 0.46 -0.01 -0.27 0.00 -0.00 0.00 0.00 56.10 56.27 1x53 s TRP 78 Cb -0.11 -0.07 0.09 0.00 -0.00 0.00 0.00 33.47 33.38 1x53 s TRP 78 CO 0.27 -0.00 1.00 -0.98 -0.00 0.00 0.00 176.95 177.23 1x53 s ARG 79 N 0.01 0.93 0.23 5.86 1.70 -1.15 0.18 118.95 126.70 1x53 s ARG 79 Ca 0.00 -0.46 0.04 0.00 -0.47 0.00 0.00 55.73 54.84 1x53 s ARG 79 Cb -0.01 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 1x53 s ARG 79 CO -0.00 -0.42 0.36 -0.06 -1.08 0.00 0.00 175.30 174.10 1x53 s PHE 80 N -3.07 3.46 -1.65 5.89 0.08 -1.26 -2.95 117.98 118.48 1x53 s PHE 80 Ca 0.10 0.03 0.16 0.00 0.12 0.00 0.00 56.93 57.34 1x53 s PHE 80 Cb -0.00 -1.61 0.87 0.00 -0.57 0.00 0.00 43.02 41.70 1x53 s PHE 80 CO -0.02 0.44 1.43 1.17 -0.10 0.00 0.00 175.22 178.13 1x53 n LYS 81 N -1.26 0.34 -0.00 0.44 0.00 0.45 -2.01 118.16 116.11 1x53 n LYS 81 Ca -0.08 0.09 0.04 0.00 0.00 0.00 0.00 58.31 58.35 1x53 n LYS 81 Cb 0.56 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 34.04 1x53 n LYS 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x53 n SER 82 N -1.18 1.79 -4.57 3.14 2.88 -1.26 -5.04 113.62 109.39 1x53 n SER 82 Ca 0.09 -0.34 -0.33 0.00 -1.33 0.00 0.00 58.87 56.96 1x53 n SER 82 Cb 0.10 1.19 0.12 0.00 -0.75 0.00 0.00 64.21 64.87 1x53 n SER 82 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1x53 n TRP 83 N -1.49 0.07 -0.61 0.66 7.02 -0.85 -4.95 117.44 117.28 1x53 n TRP 83 Ca -0.00 0.35 -0.28 0.00 -1.02 0.00 0.00 57.50 56.55 1x53 n TRP 83 Cb 0.17 -1.97 0.17 0.00 -2.42 0.00 0.00 31.31 27.26 1x53 n TRP 83 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1x53 n PRO 84 N -2.52 -1.94 -2.81 -0.99 -0.02 -1.26 -4.91 135.00 120.55 1x53 n PRO 84 Ca 0.11 -0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 60.61 1x53 n PRO 84 Cb 0.51 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 1x53 n PRO 84 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1x53 s GLU 85 N -3.47 4.53 -1.14 -0.52 2.12 -1.26 -3.72 118.70 115.23 1x53 s GLU 85 Ca 0.49 1.26 -0.06 0.00 0.36 0.00 0.00 54.97 57.03 1x53 s GLU 85 Cb -0.09 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.85 1x53 s GLU 85 CO 0.55 -0.01 0.79 0.41 -0.54 0.00 0.00 175.26 176.46 1x53 n GLY 86 N 2.95 -0.25 2.81 -1.50 0.00 -1.26 -4.99 105.19 102.94 1x53 n GLY 86 Ca 0.04 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.18 2.27 0.42 1.61 5.04 -1.24 -5.12 115.29 115.09 1x53 s HIS 87 Ca 0.39 -2.11 0.05 0.00 -1.54 0.00 0.00 55.06 51.85 1x53 s HIS 87 Cb -0.17 -2.05 -0.06 0.00 0.04 0.00 0.00 32.58 30.33 1x53 s HIS 87 CO 0.48 -0.89 0.01 -0.06 -2.34 0.00 0.00 174.74 171.95 1x53 s PHE 88 N 1.36 2.32 -0.09 3.88 0.40 -1.26 -4.74 117.98 119.85 1x53 s PHE 88 Ca 0.11 -0.77 0.04 0.00 -0.60 0.00 0.00 56.93 55.70 1x53 s PHE 88 Cb -0.18 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.66 1x53 s PHE 88 CO -0.19 0.35 -0.21 0.00 0.70 0.00 0.00 175.22 175.87 1x53 s ALA 89 N -2.80 1.94 -0.50 5.36 0.00 0.13 -4.77 121.76 121.11 1x53 s ALA 89 Ca 0.29 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 1x53 s ALA 89 Cb 0.08 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1x53 s ALA 89 CO 0.15 0.24 1.31 0.99 0.00 0.00 0.00 175.76 178.44 1x53 s THR 90 N 0.43 3.96 -0.07 0.00 2.01 -1.18 0.10 115.64 120.89 1x53 s THR 90 Ca -0.18 0.92 -0.01 0.00 0.31 0.00 0.00 61.69 62.73 1x53 s THR 90 Cb -0.17 -4.46 -0.03 0.00 0.01 0.00 0.00 72.50 67.85 1x53 s THR 90 CO 0.07 -1.03 -0.00 -0.63 -0.69 0.00 0.00 174.62 172.34 1x53 s ILE 91 N 5.30 4.26 -0.30 1.82 1.09 0.92 -1.57 121.20 132.71 1x53 s ILE 91 Ca 0.53 -0.30 -0.02 0.00 -1.10 0.00 0.00 60.65 59.76 1x53 s ILE 91 Cb -0.10 -2.80 0.10 0.00 -1.06 0.00 0.00 42.46 38.60 1x53 s ILE 91 CO 0.29 0.58 0.10 -0.89 -0.10 0.00 0.00 174.94 174.92 1x53 s THR 92 N -0.90 0.61 0.67 2.92 2.01 0.15 -0.80 115.64 120.31 1x53 s THR 92 Ca 0.14 -1.19 -0.08 0.00 0.31 0.00 0.00 61.69 60.87 1x53 s THR 92 Cb -0.11 -1.46 0.04 0.00 0.01 0.00 0.00 72.50 70.97 1x53 s THR 92 CO 0.03 -0.67 1.00 -0.76 -0.69 0.00 0.00 174.62 173.53 1x53 s LEU 93 N 1.76 2.95 -0.20 4.42 1.43 0.17 -2.50 118.68 126.70 1x53 s LEU 93 Ca 0.09 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 53.75 1x53 s LEU 93 Cb -0.17 -3.42 0.06 0.00 0.03 0.00 0.00 46.19 42.69 1x53 s LEU 93 CO -0.28 -1.39 0.51 -0.89 0.23 0.00 0.00 176.35 174.54 1x53 s THR 94 N -3.21 -0.01 -0.22 5.49 2.01 -1.18 -1.77 115.64 116.75 1x53 s THR 94 Ca 0.58 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.54 1x53 s THR 94 Cb -0.11 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1x53 s THR 94 CO 0.46 0.02 0.06 -0.36 -0.69 0.00 0.00 174.62 174.11 1x53 s PHE 95 N 1.01 3.13 0.21 4.92 0.40 -0.89 -2.14 117.98 124.61 1x53 s PHE 95 Ca -0.06 -0.25 0.10 0.00 -0.60 0.00 0.00 56.93 56.13 1x53 s PHE 95 Cb -0.06 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1x53 s PHE 95 CO -0.09 -0.16 -0.16 0.42 0.70 0.00 0.00 175.22 175.93 1x53 s ILE 96 N 1.10 2.77 -0.16 0.64 1.01 -1.20 -4.73 121.20 120.63 1x53 s ILE 96 Ca 0.04 -1.96 -0.06 0.00 0.00 0.00 0.00 60.65 58.67 1x53 s ILE 96 Cb -0.14 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1x53 s ILE 96 CO 0.03 -0.19 0.05 -0.62 0.00 0.00 0.00 174.94 174.21 1x53 s ASP 97 N -2.97 5.56 -0.03 3.58 2.15 -1.26 -3.17 116.67 120.52 1x53 s ASP 97 Ca 0.25 0.11 0.05 0.00 0.43 0.00 0.00 52.55 53.39 1x53 s ASP 97 Cb -0.08 -1.88 0.08 0.00 -0.30 0.00 0.00 42.92 40.74 1x53 s ASP 97 CO 0.13 0.23 0.93 0.29 -0.17 0.00 0.00 175.17 176.59 1x53 n LYS 98 N 3.16 1.47 -2.55 4.34 4.76 -0.69 -4.98 118.16 123.67 1x53 n LYS 98 Ca -0.17 -1.50 -0.07 0.00 -2.87 0.00 0.00 58.31 53.70 1x53 n LYS 98 Cb 0.53 -0.95 0.03 0.00 -1.84 0.00 0.00 35.03 32.80 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 -0.57 -2.05 0.00 4.39 5.15 -1.26 -4.43 115.26 116.49 1x53 n ASN 99 Ca 0.04 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1x53 n ASN 99 Cb 0.47 -2.30 0.00 0.00 -0.53 0.00 0.00 39.78 37.42 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 -1.06 2.30 3.39 8.20 0.00 -1.26 -5.12 105.19 111.64 1x53 n GLY 100 Ca -0.11 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 1.46 -0.12 1.61 2.02 -1.26 -3.52 118.70 118.89 1x53 s GLU 101 Ca 0.00 -1.69 0.01 0.00 0.02 0.00 0.00 54.97 53.31 1x53 s GLU 101 Cb 0.00 -1.20 0.02 0.00 0.10 0.00 0.00 34.13 33.04 1x53 s GLU 101 CO 0.00 0.14 -0.14 0.99 0.02 0.00 0.00 175.26 176.26 1x53 s THR 102 N -2.94 1.48 -0.56 3.63 2.01 0.97 -1.70 115.64 118.54 1x53 s THR 102 Ca 0.26 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 1x53 s THR 102 Cb 0.01 -1.38 0.06 0.00 0.01 0.00 0.00 72.50 71.20 1x53 s THR 102 CO 0.10 0.44 0.77 -0.70 -0.69 0.00 0.00 174.62 174.54 1x53 s GLU 103 N 1.23 3.16 -0.59 4.92 2.12 -1.19 0.43 118.70 128.77 1x53 s GLU 103 Ca -0.01 -0.80 -0.25 0.00 0.36 0.00 0.00 54.97 54.26 1x53 s GLU 103 Cb -0.14 -4.14 0.04 0.00 0.26 0.00 0.00 34.13 30.16 1x53 s GLU 103 CO -0.05 -1.44 1.03 -1.17 -0.54 0.00 0.00 175.26 173.08 1x53 s LEU 104 N 3.19 3.93 -0.82 2.70 2.96 0.05 -3.22 118.68 127.47 1x53 s LEU 104 Ca 0.19 -0.38 -0.19 0.00 -0.22 0.00 0.00 54.13 53.54 1x53 s LEU 104 Cb -0.18 -2.80 0.12 0.00 0.50 0.00 0.00 46.19 43.83 1x53 s LEU 104 CO 0.12 -1.37 1.01 0.00 -1.32 0.00 0.00 176.35 174.79 1x53 s MET 106 N 2.78 4.53 -0.11 0.00 1.75 0.11 -3.08 119.30 125.28 1x53 s MET 106 Ca 0.26 1.17 -0.02 0.00 -1.25 0.00 0.00 55.69 55.85 1x53 s MET 106 Cb -0.10 -3.41 0.04 0.00 2.84 0.00 0.00 34.83 34.20 1x53 s MET 106 CO -0.03 0.14 0.04 -2.00 -0.65 0.00 0.00 175.02 172.52 1x53 s GLU 107 N 0.39 0.37 0.03 4.11 -6.30 -1.04 -0.62 118.70 115.64 1x53 s GLU 107 Ca 0.43 0.01 0.07 0.00 -2.50 0.00 0.00 54.97 52.98 1x53 s GLU 107 Cb -0.20 -1.29 -0.02 0.00 0.00 0.00 0.00 34.13 32.61 1x53 s GLU 107 CO 0.24 -0.45 -0.20 0.20 0.02 0.00 0.00 175.26 175.07 1x53 s GLY 108 N 2.02 1.07 -0.16 -1.50 0.00 -1.00 0.34 107.32 108.09 1x53 s GLY 108 Ca 0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 44.72 43.71 1x53 s GLY 108 CO -0.06 -0.90 0.10 1.09 0.00 0.00 0.00 173.10 173.33 1x53 s ARG 109 N -0.98 0.06 0.00 2.90 3.03 -0.61 -1.07 118.95 122.28 1x53 s ARG 109 Ca 0.07 -0.02 0.00 0.00 2.03 0.00 0.00 55.73 57.81 1x53 s ARG 109 Cb -0.08 -1.69 0.00 0.00 -1.03 0.00 0.00 34.95 32.15 1x53 s ARG 109 CO 0.01 -0.65 0.00 0.41 -1.13 0.00 0.00 175.30 173.94 1x53 n GLY 110 N 5.28 -0.53 3.69 3.88 0.00 -1.05 -3.10 105.19 113.38 1x53 n GLY 110 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.42 3.94 0.12 -0.61 1.09 -1.04 -4.60 121.20 119.69 1x53 s ILE 111 Ca 0.00 1.33 -0.35 0.00 -1.10 0.00 0.00 60.65 60.53 1x53 s ILE 111 Cb 0.00 -3.85 -0.16 0.00 -1.06 0.00 0.00 42.46 37.38 1x53 s ILE 111 CO 0.00 0.03 1.25 -2.65 -0.10 0.00 0.00 174.94 173.46 1x53 n PRO 112 N 4.92 1.11 -0.05 2.79 -0.02 -1.26 0.11 135.00 142.61 1x53 n PRO 112 Ca 0.11 0.40 -0.08 0.00 -2.02 0.00 0.00 63.50 61.91 1x53 n PRO 112 Cb 0.45 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.96 0.19 -0.67 3.55 0.00 -0.82 2.05 119.26 127.52 1x53 h ALA 113 Ca -0.46 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1x53 h ALA 113 Cb 1.34 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1x53 h ALA 113 CO 0.74 -0.42 0.40 -1.35 0.00 0.00 0.00 179.25 178.62 1x53 h PRO 114 N 0.08 0.91 -0.01 0.00 0.11 -1.90 -2.08 132.00 129.10 1x53 h PRO 114 Ca 0.10 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1x53 h PRO 114 Cb 0.12 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1x53 h PRO 114 CO -0.16 0.65 -0.33 0.39 -0.21 0.00 0.00 178.00 178.34 1x53 n GLU 115 N -4.39 1.26 -0.27 1.05 4.71 -0.94 -4.51 120.64 117.54 1x53 n GLU 115 Ca 0.07 -0.96 -0.12 0.00 -0.01 0.00 0.00 57.16 56.13 1x53 n GLU 115 Cb 0.08 -1.48 -0.10 0.00 -1.01 0.00 0.00 31.44 28.93 1x53 n GLU 115 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1x53 h GLU 116 N 2.34 -0.20 0.57 3.49 4.81 0.40 0.23 114.58 126.23 1x53 h GLU 116 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1x53 h GLU 116 Cb 0.70 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1x53 h GLU 116 CO 0.00 -0.13 -0.44 1.49 -0.73 0.00 0.00 179.01 179.20 1x53 h GLU 117 N -0.21 -0.95 -0.97 1.92 4.81 -1.79 -2.32 114.58 115.07 1x53 h GLU 117 Ca 0.12 0.06 0.31 0.00 -0.13 0.00 0.00 59.36 59.71 1x53 h GLU 117 Cb 0.51 0.22 -0.15 0.00 0.63 0.00 0.00 28.75 29.95 1x53 h GLU 117 CO -0.76 -0.63 0.44 -0.09 -0.73 0.00 0.00 179.01 177.24 1x53 h ARG 118 N -0.98 0.23 0.08 1.92 2.43 -1.64 0.21 114.38 116.62 1x53 h ARG 118 Ca -0.07 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1x53 h ARG 118 Cb 0.83 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1x53 h ARG 118 CO 0.01 0.15 -0.04 1.15 -1.51 0.00 0.00 179.97 179.74 1x53 h THR 119 N 0.24 0.00 -0.06 0.20 2.02 -0.06 -0.74 112.91 114.51 1x53 h THR 119 Ca 0.69 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.88 1x53 h THR 119 Cb 1.55 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1x53 h THR 119 CO -0.66 0.00 0.35 -0.09 0.37 0.00 0.00 175.52 175.50 1x53 h ARG 120 N -0.10 0.00 0.05 6.66 2.43 -0.93 0.53 114.38 123.02 1x53 h ARG 120 Ca -0.01 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 1x53 h ARG 120 Cb 0.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1x53 h ARG 120 CO 0.02 0.00 -1.05 1.96 -1.51 0.00 0.00 179.97 179.38 1x53 h GLN 121 N 0.00 0.28 -0.11 0.20 1.08 -0.26 -3.32 115.11 112.97 1x53 h GLN 121 Ca 0.03 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 1x53 h GLN 121 Cb 0.74 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1x53 h GLN 121 CO -0.00 1.11 -0.04 0.41 -0.95 0.00 0.00 178.83 179.36 1x53 n GLY 122 N 1.19 4.62 0.02 3.46 0.00 0.11 -4.49 105.19 110.09 1x53 n GLY 122 Ca -0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.08 0.20 0.20 1.61 -0.00 0.14 -4.49 117.44 114.02 1x53 n TRP 123 Ca 0.19 0.09 0.04 0.00 -0.00 0.00 0.00 57.50 57.82 1x53 n TRP 123 Cb 0.76 -0.33 0.41 0.00 -0.00 0.00 0.00 31.31 32.15 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 -0.26 0.00 -0.56 5.87 4.20 -1.83 -0.28 115.11 122.25 1x53 h GLN 124 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 1x53 h GLN 124 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1x53 h GLN 124 CO 0.00 0.33 0.70 0.00 -0.67 0.00 0.00 178.83 179.19 1x53 h ARG 125 N 0.00 0.00 0.00 1.46 3.08 -1.79 0.44 114.38 117.58 1x53 h ARG 125 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x53 h ARG 125 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1x53 h ARG 125 CO 0.04 0.00 -0.97 0.66 -1.07 0.00 0.00 179.97 178.64 1x53 n TYR 126 N -3.45 0.00 0.13 3.04 4.01 -1.05 -3.56 117.16 116.28 1x53 n TYR 126 Ca 0.11 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.80 1x53 n TYR 126 Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.91 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 -0.31 0.00 -0.72 -1.99 -0.64 -3.27 116.97 110.04 1x53 h TYR 127 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1x53 h TYR 127 Cb 0.97 0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.80 1x53 h TYR 127 CO 0.00 -0.19 -0.17 1.19 -0.00 0.00 0.00 178.16 178.98 1x53 n PHE 128 N -3.07 0.17 -0.55 4.88 3.72 -0.58 -3.49 117.46 118.55 1x53 n PHE 128 Ca -0.04 0.07 0.42 0.00 -0.05 0.00 0.00 57.45 57.85 1x53 n PHE 128 Cb 0.13 -0.31 0.65 0.00 -0.94 0.00 0.00 39.48 39.02 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 -2.91 -0.00 -0.01 -1.08 1.02 0.15 -0.38 120.64 117.42 1x53 n GLU 129 Ca -0.02 0.89 -0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1x53 n GLU 129 Cb 0.09 -2.01 -0.00 0.00 -0.02 0.00 0.00 31.44 29.50 1x53 n GLU 129 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x53 h GLY 130 N 0.00 0.00 -0.15 0.62 0.00 -1.61 -3.31 103.07 98.63 1x53 h GLY 130 Ca 0.75 0.00 0.21 0.00 0.00 0.00 0.00 47.33 48.29 1x53 h GLY 130 CO -0.05 0.00 0.39 -2.22 0.00 0.00 0.00 176.54 174.66 1x53 h ILE 131 N -0.18 0.50 -0.53 2.60 2.04 -1.14 0.67 117.51 121.48 1x53 h ILE 131 Ca 0.00 -0.14 0.15 0.00 1.00 0.00 0.00 64.86 65.87 1x53 h ILE 131 Cb 0.00 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 1x53 h ILE 131 CO 0.00 0.08 0.46 0.11 0.00 0.00 0.00 178.15 178.80 1x53 h LYS 132 N 0.42 0.00 0.00 2.37 1.57 -0.88 0.99 116.57 121.04 1x53 h LYS 132 Ca 0.54 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.15 1x53 h LYS 132 Cb 1.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1x53 h LYS 132 CO -0.51 0.00 -1.54 1.04 -0.57 0.00 0.00 179.45 177.87 1x53 n GLN 133 N -3.99 0.55 0.10 3.15 1.13 0.19 -1.65 117.38 116.87 1x53 n GLN 133 Ca 0.10 0.25 -0.16 0.00 -1.94 0.00 0.00 57.00 55.25 1x53 n GLN 133 Cb 0.68 -1.47 -0.09 0.00 0.11 0.00 0.00 30.24 29.46 1x53 n GLN 133 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1x53 h THR 134 N -1.00 0.04 0.00 5.09 2.02 -0.28 -2.73 112.91 116.04 1x53 h THR 134 Ca -0.26 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 1x53 h THR 134 Cb 1.21 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1x53 h THR 134 CO -0.16 0.00 -0.74 -0.26 0.37 0.00 0.00 175.52 174.73 1x53 h PHE 135 N -0.72 0.00 -0.47 3.16 -1.00 -1.06 -3.48 116.94 113.37 1x53 h PHE 135 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1x53 h PHE 135 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 1x53 h PHE 135 CO -0.44 0.30 0.00 0.41 -1.61 0.00 0.00 178.31 176.97 1x53 n GLY 136 N 1.23 0.94 2.05 -1.45 0.00 -0.61 -4.97 105.19 102.38 1x53 n GLY 136 Ca -0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.17 2.63 -3.95 1.61 4.01 -0.66 -4.77 117.16 113.86 1x53 n TYR 137 Ca 0.00 -1.61 -0.23 0.00 -0.16 0.00 0.00 57.90 55.90 1x53 n TYR 137 Cb 0.35 -0.84 -0.05 0.00 -0.31 0.00 0.00 39.34 38.49 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 -0.98 2.03 0.00 2.72 0.00 -0.89 -1.99 107.32 108.21 1x53 s GLY 138 Ca 0.49 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1x53 s GLY 138 CO 0.10 -1.75 0.00 0.00 0.00 0.00 0.00 173.10 171.45 1x53 n ALA 139 N -1.28 3.00 -3.37 3.20 0.00 -1.26 -4.70 120.51 116.10 1x53 n ALA 139 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.45 1x53 n ALA 139 Cb 0.62 0.35 -0.03 0.00 0.00 0.00 0.00 19.45 20.38 1x53 n ALA 139 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x53 s SER 140 N -5.02 -0.67 -0.25 0.00 0.15 -1.26 -5.18 113.70 101.47 1x53 s SER 140 Ca 0.00 0.79 -0.35 0.00 0.70 0.00 0.00 55.95 57.09 1x53 s SER 140 Cb 0.00 1.71 0.16 0.00 -1.71 0.00 0.00 66.02 66.18 1x53 s SER 140 CO 0.00 -0.13 1.31 -0.83 1.20 0.00 0.00 173.24 174.79 1x53 s GLY 141 N 2.60 -0.18 -0.35 9.45 0.00 -1.26 -5.12 107.32 112.45 1x53 s GLY 141 Ca -0.01 1.97 -0.40 0.00 0.00 0.00 0.00 44.72 46.29 1x53 s GLY 141 CO -0.17 0.70 1.94 -1.05 0.00 0.00 0.00 173.10 174.52 1x53 n PRO 142 N 0.08 0.86 -3.45 2.90 -0.02 -1.26 -4.92 135.00 129.19 1x53 n PRO 142 Ca 0.02 0.29 -0.38 0.00 -2.02 0.00 0.00 63.50 61.41 1x53 n PRO 142 Cb 0.57 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 1x53 n PRO 142 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1x53 s SER 143 N 5.07 6.40 -0.04 2.55 0.01 -1.26 -4.98 113.70 121.44 1x53 s SER 143 Ca 1.06 0.46 -0.23 0.00 1.31 0.00 0.00 55.95 58.56 1x53 s SER 143 Cb -1.11 -2.21 -0.26 0.00 0.21 0.00 0.00 66.02 62.66 1x53 s SER 143 CO 0.62 -0.03 0.99 0.77 0.41 0.00 0.00 173.24 176.01 1x53 h SER 144 N 7.27 0.37 0.00 2.44 4.64 -1.93 -3.56 113.55 122.77 1x53 h SER 144 Ca -0.37 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.11 1x53 h SER 144 Cb 1.16 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1x53 h SER 144 CO 0.72 1.16 0.00 0.61 -0.87 0.00 0.00 176.83 178.45