#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 0.33 -4.93 1.61 3.41 -1.26 -4.77 113.62 108.02 1x53 n SER 2 Ca 0.00 0.57 -0.26 0.00 -0.26 0.00 0.00 58.87 58.93 1x53 n SER 2 Cb 0.00 -0.65 0.04 0.00 -0.26 0.00 0.00 64.21 63.34 1x53 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x53 s SER 3 N -3.62 5.46 0.00 4.04 0.01 -1.26 -5.08 113.70 113.25 1x53 s SER 3 Ca 0.07 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1x53 s SER 3 Cb 0.11 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.81 1x53 s SER 3 CO 0.37 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1x53 n GLY 4 N -2.57 1.91 3.06 3.44 0.00 -1.26 -5.19 105.19 104.58 1x53 n GLY 4 Ca 0.05 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.37 1x53 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x53 s SER 5 N 0.00 0.31 -0.10 1.61 0.01 -1.26 -5.10 113.70 109.17 1x53 s SER 5 Ca 0.00 -0.68 -0.33 0.00 1.31 0.00 0.00 55.95 56.25 1x53 s SER 5 Cb 0.00 0.17 -0.16 0.00 0.21 0.00 0.00 66.02 66.24 1x53 s SER 5 CO 0.00 -0.46 0.95 -1.20 0.41 0.00 0.00 173.24 172.94 1x53 n SER 6 N 0.85 0.24 0.00 2.44 7.64 -1.26 -4.53 113.62 118.99 1x53 n SER 6 Ca -0.19 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1x53 n SER 6 Cb 0.58 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 1.68 -2.83 3.66 0.23 0.00 -1.26 -4.96 105.19 101.71 1x53 n GLY 7 Ca 0.18 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.53 4.37 0.44 -0.61 1.01 -1.26 -5.11 121.20 119.50 1x53 s ILE 8 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 1x53 s ILE 8 Cb 0.00 -2.86 -0.10 0.00 0.01 0.00 0.00 42.46 39.50 1x53 s ILE 8 CO 0.00 0.58 0.98 -2.16 0.00 0.00 0.00 174.94 174.33 1x53 s PRO 9 N -0.59 4.14 0.32 2.79 0.04 -1.26 -4.97 135.00 135.47 1x53 s PRO 9 Ca 0.10 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.39 1x53 s PRO 9 Cb -0.12 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1x53 s PRO 9 CO 0.02 -0.12 0.30 0.95 0.04 0.00 0.00 177.00 178.19 1x53 s THR 10 N -2.08 0.00 0.31 1.26 -4.23 -1.26 -0.17 115.64 109.46 1x53 s THR 10 Ca 0.63 -1.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.15 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 0.51 0.00 -0.54 0.00 0.00 174.62 174.74 1x53 s LYS 12 N -2.44 3.09 -0.40 0.00 2.20 -1.26 -2.00 119.74 118.93 1x53 s LYS 12 Ca 0.20 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 1x53 s LYS 12 Cb -0.02 -2.85 0.13 0.00 -1.51 0.00 0.00 37.83 33.58 1x53 s LYS 12 CO 0.15 0.59 0.20 0.42 -0.36 0.00 0.00 175.35 176.35 1x53 s ILE 13 N -1.40 1.12 -0.34 5.43 -1.09 0.73 -4.99 121.20 120.67 1x53 s ILE 13 Ca 0.30 -2.18 -0.11 0.00 -2.23 0.00 0.00 60.65 56.43 1x53 s ILE 13 Cb -0.12 -1.80 -0.00 0.00 -1.58 0.00 0.00 42.46 38.95 1x53 s ILE 13 CO 0.23 -0.86 0.20 -0.89 -1.23 0.00 0.00 174.94 172.39 1x53 s THR 14 N 0.74 4.83 -0.14 2.92 2.01 -1.26 -1.26 115.64 123.48 1x53 s THR 14 Ca 0.16 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1x53 s THR 14 Cb -0.23 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1x53 s THR 14 CO -0.05 -0.04 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.87 1x53 s LEU 15 N 1.64 2.07 -0.34 4.42 1.43 -0.67 -4.99 118.68 122.24 1x53 s LEU 15 Ca 0.05 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1x53 s LEU 15 Cb -0.18 -1.41 0.09 0.00 0.03 0.00 0.00 46.19 44.72 1x53 s LEU 15 CO 0.08 0.06 0.05 -0.54 0.23 0.00 0.00 176.35 176.23 1x53 s LYS 16 N 0.89 1.79 0.01 1.70 3.01 -1.26 -0.43 119.74 125.45 1x53 s LYS 16 Ca -0.06 -1.73 0.06 0.00 -1.01 0.00 0.00 55.97 53.24 1x53 s LYS 16 Cb -0.15 -3.22 -0.02 0.00 -1.01 0.00 0.00 37.83 33.42 1x53 s LYS 16 CO -0.03 -0.88 -0.20 -2.00 0.51 0.00 0.00 175.35 172.76 1x53 s GLU 17 N 1.01 1.46 0.02 1.68 2.56 -1.01 -4.99 118.70 119.43 1x53 s GLU 17 Ca 0.06 -0.81 -0.08 0.00 0.00 0.00 0.00 54.97 54.14 1x53 s GLU 17 Cb -0.20 -1.49 -0.05 0.00 2.00 0.00 0.00 34.13 34.40 1x53 s GLU 17 CO -0.06 0.39 0.30 0.99 -0.56 0.00 0.00 175.26 176.32 1x53 s THR 18 N -0.63 5.25 0.00 -1.70 2.01 -1.26 -0.76 115.64 118.56 1x53 s THR 18 Ca 0.07 0.26 0.08 0.00 0.31 0.00 0.00 61.69 62.41 1x53 s THR 18 Cb -0.08 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1x53 s THR 18 CO 0.00 0.37 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.71 1x53 s PHE 19 N -1.29 2.40 -0.03 4.92 0.40 0.15 -4.74 117.98 119.78 1x53 s PHE 19 Ca 0.28 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1x53 s PHE 19 Cb -0.13 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 41.94 1x53 s PHE 19 CO 0.16 0.08 1.94 1.28 0.70 0.00 0.00 175.22 179.37 1x53 n LEU 20 N 2.10 5.31 -4.00 -0.37 7.99 -0.57 -0.02 117.00 127.43 1x53 n LEU 20 Ca -0.16 -2.44 -0.09 0.00 -0.01 0.00 0.00 56.01 53.30 1x53 n LEU 20 Cb 0.52 -1.08 -0.08 0.00 -0.11 0.00 0.00 43.42 42.66 1x53 n LEU 20 CO 0.24 1.00 -0.13 0.28 -1.51 0.00 0.00 177.39 177.26 1x53 s THR 21 N -0.23 0.10 0.52 -5.08 -1.32 -1.22 -4.85 115.64 103.57 1x53 s THR 21 Ca 0.03 -1.53 -0.17 0.00 -1.21 0.00 0.00 61.69 58.81 1x53 s THR 21 Cb 0.02 -1.79 -0.07 0.00 -1.51 0.00 0.00 72.50 69.16 1x53 s THR 21 CO -0.00 -0.46 1.01 -0.44 -2.21 0.00 0.00 174.62 172.52 1x53 s SER 22 N -2.97 6.36 0.15 8.08 0.01 -1.26 -1.86 113.70 122.21 1x53 s SER 22 Ca 0.16 1.72 -0.26 0.00 1.31 0.00 0.00 55.95 58.88 1x53 s SER 22 Cb 0.05 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1x53 s SER 22 CO -0.02 -0.77 1.58 -0.65 0.41 0.00 0.00 173.24 173.79 1x53 h PRO 23 N 0.99 -0.32 -0.94 12.44 0.11 -1.88 -0.57 132.00 141.82 1x53 h PRO 23 Ca -0.47 0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.93 1x53 h PRO 23 Cb 1.20 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1x53 h PRO 23 CO 0.60 -0.21 0.41 1.49 -0.21 0.00 0.00 178.00 180.07 1x53 h GLU 24 N -0.33 0.29 0.02 1.05 4.81 -1.93 0.61 114.58 119.10 1x53 h GLU 24 Ca 0.14 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1x53 h GLU 24 Cb 0.58 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1x53 h GLU 24 CO -0.53 0.19 -0.01 1.49 -0.73 0.00 0.00 179.01 179.42 1x53 h GLU 25 N 0.30 -0.03 -0.03 1.92 4.57 -1.48 -2.72 114.58 117.10 1x53 h GLU 25 Ca 0.63 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.82 1x53 h GLU 25 Cb 1.34 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1x53 h GLU 25 CO -0.61 -0.02 0.16 1.25 -1.18 0.00 0.00 179.01 178.60 1x53 h LEU 26 N -0.03 0.00 -2.37 1.64 5.85 -1.14 0.63 115.31 119.89 1x53 h LEU 26 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1x53 h LEU 26 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1x53 h LEU 26 CO 0.00 0.00 0.00 0.22 -0.34 0.00 0.00 178.44 178.32 1x53 h TYR 27 N 0.00 0.00 0.00 1.25 3.20 0.54 -3.03 116.97 118.93 1x53 h TYR 27 Ca 0.02 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.61 1x53 h TYR 27 Cb 0.33 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1x53 h TYR 27 CO 0.00 0.00 -1.59 0.54 -1.64 0.00 0.00 178.16 175.47 1x53 n ARG 28 N -3.03 0.56 0.21 1.82 1.74 0.21 -3.11 116.66 115.07 1x53 n ARG 28 Ca -0.02 0.46 0.11 0.00 -0.77 0.00 0.00 57.85 57.64 1x53 n ARG 28 Cb 0.15 -1.65 0.40 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.04 0.00 1.55 2.07 -1.52 1.82 116.25 119.21 1x53 h VAL 29 Ca -0.42 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 1x53 h VAL 29 Cb 1.32 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1x53 h VAL 29 CO -0.25 0.00 -1.93 0.49 0.02 0.00 0.00 177.57 175.90 1x53 n PHE 30 N -2.87 0.00 -1.18 1.57 3.01 -1.17 -4.03 117.46 112.79 1x53 n PHE 30 Ca 0.04 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.56 1x53 n PHE 30 Cb 0.87 -0.54 0.21 0.00 -0.01 0.00 0.00 39.48 40.00 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 -2.28 2.23 -3.59 4.37 -2.24 0.50 -4.91 114.28 108.37 1x53 n THR 31 Ca -0.10 -2.32 -0.28 0.00 -2.27 0.00 0.00 64.05 59.08 1x53 n THR 31 Cb 0.64 -0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.98 -0.00 0.11 4.28 2.01 0.50 -4.38 115.64 115.18 1x53 s THR 32 Ca 0.40 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 61.65 1x53 s THR 32 Cb 0.34 -0.82 -0.07 0.00 0.01 0.00 0.00 72.50 71.96 1x53 s THR 32 CO 0.04 -0.48 1.43 -0.61 -0.69 0.00 0.00 174.62 174.30 1x53 h GLN 33 N 8.39 -0.16 -0.45 4.92 4.15 -1.86 -1.22 115.11 128.88 1x53 h GLN 33 Ca -0.17 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.30 1x53 h GLN 33 Cb 1.08 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.75 1x53 h GLN 33 CO 0.36 -0.11 -0.28 1.49 -1.93 0.00 0.00 178.83 178.37 1x53 h GLU 34 N -0.17 -0.01 -0.98 1.69 4.81 -1.91 0.51 114.58 118.52 1x53 h GLU 34 Ca 0.09 0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.62 1x53 h GLU 34 Cb 0.40 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.64 1x53 h GLU 34 CO -0.59 -0.01 0.50 -0.07 -0.73 0.00 0.00 179.01 178.11 1x53 h LEU 35 N -0.01 0.42 -0.28 1.64 3.38 -1.73 0.26 115.31 118.99 1x53 h LEU 35 Ca 0.07 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1x53 h LEU 35 Cb 0.20 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1x53 h LEU 35 CO -0.43 -0.12 0.14 0.58 0.09 0.00 0.00 178.44 178.70 1x53 h VAL 36 N 0.32 1.14 0.00 1.22 2.07 0.11 -1.37 116.25 119.74 1x53 h VAL 36 Ca 0.69 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1x53 h VAL 36 Cb 1.51 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1x53 h VAL 36 CO -0.61 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.12 1x53 n GLN 37 N -4.81 0.19 -0.09 1.57 6.02 0.88 -1.24 117.38 119.90 1x53 n GLN 37 Ca -0.02 0.12 -0.21 0.00 -0.01 0.00 0.00 57.00 56.88 1x53 n GLN 37 Cb 0.09 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.73 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 2.46 0.23 -0.01 -1.58 0.00 -0.74 -2.48 119.26 117.15 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 0.04 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x53 h ALA 38 CO 0.00 0.64 -0.21 1.97 0.00 0.00 0.00 179.25 181.65 1x53 n PHE 39 N -4.40 0.00 0.18 0.00 1.16 -1.03 -3.69 117.46 109.68 1x53 n PHE 39 Ca -0.29 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.34 1x53 n PHE 39 Cb 0.68 -0.17 -0.07 0.00 -1.61 0.00 0.00 39.48 38.31 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 -0.88 0.00 -4.08 1.97 -2.24 -0.37 -4.72 114.28 103.96 1x53 n THR 40 Ca 0.12 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1x53 n THR 40 Cb 0.32 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.61 -1.13 -3.76 4.78 8.25 -0.93 -4.77 115.22 116.05 1x53 n HIS 41 Ca -0.00 0.57 -0.12 0.00 -0.26 0.00 0.00 57.72 57.90 1x53 n HIS 41 Cb 0.22 -1.61 -0.08 0.00 1.12 0.00 0.00 29.99 29.64 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 -2.92 -0.73 -0.88 -1.41 0.00 -1.26 -4.98 121.76 109.58 1x53 s ALA 42 Ca 0.69 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 1x53 s ALA 42 Cb -0.40 0.21 -0.23 0.00 0.00 0.00 0.00 23.12 22.70 1x53 s ALA 42 CO 0.84 -0.34 2.35 -2.30 0.00 0.00 0.00 175.76 176.31 1x53 n PRO 43 N 0.89 0.27 -4.82 0.00 -0.02 -1.26 -4.48 135.00 125.58 1x53 n PRO 43 Ca -0.20 -0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 60.70 1x53 n PRO 43 Cb 0.58 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.79 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 7.10 2.63 -0.35 3.55 0.00 -1.26 -3.03 121.76 130.41 1x53 s ALA 44 Ca 1.18 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1x53 s ALA 44 Cb -0.63 -1.12 0.10 0.00 0.00 0.00 0.00 23.12 21.46 1x53 s ALA 44 CO 0.38 0.36 0.06 0.99 0.00 0.00 0.00 175.76 177.55 1x53 s THR 45 N -0.03 2.31 -0.09 0.00 2.01 0.11 -4.81 115.64 115.15 1x53 s THR 45 Ca -0.03 -2.37 -0.01 0.00 0.31 0.00 0.00 61.69 59.59 1x53 s THR 45 Cb -0.14 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1x53 s THR 45 CO 0.04 -0.61 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.10 1x53 s LEU 46 N 0.87 3.34 -0.36 4.42 0.20 -1.26 -0.02 118.68 125.87 1x53 s LEU 46 Ca 0.11 0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.97 1x53 s LEU 46 Cb -0.19 -1.75 0.11 0.00 -0.43 0.00 0.00 46.19 43.93 1x53 s LEU 46 CO -0.08 0.35 0.15 -1.61 -0.29 0.00 0.00 176.35 174.86 1x53 s GLU 47 N -0.70 1.04 -0.63 1.98 0.41 -0.39 -4.16 118.70 116.25 1x53 s GLU 47 Ca 0.11 -1.54 -0.26 0.00 -0.41 0.00 0.00 54.97 52.87 1x53 s GLU 47 Cb -0.11 -2.29 -0.09 0.00 -1.78 0.00 0.00 34.13 29.86 1x53 s GLU 47 CO 0.02 -1.05 2.33 0.00 -0.49 0.00 0.00 175.26 176.07 1x53 s ALA 48 N 1.04 1.37 -0.27 5.21 0.00 -1.26 -4.30 121.76 123.56 1x53 s ALA 48 Ca 0.13 -0.41 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 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 -4.91 1.28 0.34 0.00 0.00 0.00 175.76 172.33 1x53 s ASP 49 N 11.11 -0.16 -0.54 0.00 2.15 -1.26 -5.01 116.67 122.96 1x53 s ASP 49 Ca 0.91 0.23 -0.26 0.00 0.43 0.00 0.00 52.55 53.86 1x53 s ASP 49 Cb -0.15 0.21 -0.08 0.00 -0.30 0.00 0.00 42.92 42.60 1x53 s ASP 49 CO 0.18 -0.10 2.43 0.54 -0.17 0.00 0.00 175.17 178.05 1x53 n ARG 50 N 1.10 0.94 0.00 4.34 1.74 -1.26 -0.08 116.66 123.44 1x53 n ARG 50 Ca -0.07 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1x53 n ARG 50 Cb 0.58 -3.39 0.00 0.00 -1.02 0.00 0.00 32.46 28.63 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 6.11 0.72 3.49 -0.13 0.00 0.63 -4.97 105.19 111.05 1x53 n GLY 51 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.55 1.52 0.11 -0.02 0.00 0.88 -4.34 107.32 103.93 1x53 s GLY 52 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 44.72 44.45 1x53 s GLY 52 CO 0.00 0.44 -0.03 0.54 0.00 0.00 0.00 173.10 174.05 1x53 s LYS 53 N -4.66 2.40 -0.17 2.90 3.01 -1.26 -0.51 119.74 121.45 1x53 s LYS 53 Ca 0.68 -0.94 -0.04 0.00 -1.01 0.00 0.00 55.97 54.66 1x53 s LYS 53 Cb -0.22 -2.44 0.06 0.00 -1.01 0.00 0.00 37.83 34.22 1x53 s LYS 53 CO 0.62 0.51 0.07 -0.59 0.51 0.00 0.00 175.35 176.48 1x53 s PHE 54 N -1.36 0.44 -0.06 3.18 -0.12 -1.22 -1.26 117.98 117.58 1x53 s PHE 54 Ca 0.25 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.69 1x53 s PHE 54 Cb -0.11 -0.78 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 1x53 s PHE 54 CO 0.17 -0.53 -0.08 -1.58 -0.05 0.00 0.00 175.22 173.15 1x53 s HIS 55 N 2.06 2.89 0.33 3.49 2.46 0.98 -2.20 115.29 125.29 1x53 s HIS 55 Ca 0.01 -0.02 -0.03 0.00 0.47 0.00 0.00 55.06 55.49 1x53 s HIS 55 Cb -0.16 -1.68 0.00 0.00 -0.13 0.00 0.00 32.58 30.61 1x53 s HIS 55 CO -0.08 0.31 0.47 0.00 -2.47 0.00 0.00 174.74 172.96 1x53 s MET 56 N -0.87 1.86 -1.25 2.88 0.23 0.13 0.07 119.30 122.35 1x53 s MET 56 Ca 0.13 -1.71 -0.08 0.00 -1.03 0.00 0.00 55.69 53.00 1x53 s MET 56 Cb -0.11 0.44 0.01 0.00 -1.53 0.00 0.00 34.83 33.64 1x53 s MET 56 CO 0.02 -0.77 1.02 0.28 -2.03 0.00 0.00 175.02 173.54 1x53 n VAL 57 N -0.54 -2.61 -2.88 5.16 0.31 -1.26 -1.15 118.33 115.35 1x53 n VAL 57 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1x53 n VAL 57 Cb 0.62 -3.71 0.03 0.00 -0.91 0.00 0.00 33.84 29.87 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 -2.54 -4.71 -0.53 4.52 -0.08 -1.25 -2.65 116.55 109.32 1x53 n ASP 58 Ca -0.00 -0.23 -0.05 0.00 -1.51 0.00 0.00 54.79 52.99 1x53 n ASP 58 Cb 0.56 -3.51 -0.00 0.00 2.34 0.00 0.00 41.12 40.51 1x53 n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x53 n GLY 59 N -1.33 0.25 0.05 0.27 0.00 -0.93 -4.87 105.19 98.63 1x53 n GLY 59 Ca -0.06 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.28 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 1.10 0.07 -3.83 1.61 3.02 -0.30 -4.75 115.26 112.18 1x53 n ASN 60 Ca -0.06 0.03 -0.26 0.00 -0.03 0.00 0.00 54.58 54.26 1x53 n ASN 60 Cb 0.49 1.47 -0.17 0.00 -0.61 0.00 0.00 39.78 40.96 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 -3.08 0.76 0.42 2.41 1.01 -0.52 0.12 120.40 121.52 1x53 s VAL 61 Ca -0.08 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1x53 s VAL 61 Cb 0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1x53 s VAL 61 CO 0.87 0.14 0.11 -0.55 0.00 0.00 0.00 175.10 175.67 1x53 s SER 62 N 1.79 2.99 0.00 3.32 0.15 -1.16 0.21 113.70 121.00 1x53 s SER 62 Ca 0.02 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 55.01 1x53 s SER 62 Cb -0.14 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1x53 s SER 62 CO -0.07 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1x53 n GLY 63 N -0.96 1.38 3.35 9.45 0.00 -0.93 -2.85 105.19 114.63 1x53 n GLY 63 Ca -0.08 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 1.26 0.49 -0.14 1.61 -1.05 -1.24 -3.38 118.70 116.25 1x53 s GLU 64 Ca 0.00 0.78 -0.29 0.00 -0.15 0.00 0.00 54.97 55.30 1x53 s GLU 64 Cb 0.00 0.12 -0.01 0.00 -0.44 0.00 0.00 34.13 33.80 1x53 s GLU 64 CO 0.00 -0.12 1.17 -0.06 0.95 0.00 0.00 175.26 177.21 1x53 s PHE 65 N 0.92 3.11 -0.17 4.83 0.40 0.33 -1.30 117.98 126.10 1x53 s PHE 65 Ca -0.05 1.22 0.08 0.00 -0.60 0.00 0.00 56.93 57.57 1x53 s PHE 65 Cb -0.06 -3.40 -0.16 0.00 0.51 0.00 0.00 43.02 39.92 1x53 s PHE 65 CO -0.08 -1.19 -0.05 0.25 0.70 0.00 0.00 175.22 174.85 1x53 n THR 66 N 5.08 1.05 -3.87 0.64 -2.24 0.13 0.23 114.28 115.30 1x53 n THR 66 Ca 0.12 -0.53 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1x53 n THR 66 Cb 0.46 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.69 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 -5.31 -0.01 -0.22 3.42 -1.08 -0.34 -4.77 116.67 108.37 1x53 s ASP 67 Ca -0.16 0.01 -0.04 0.00 -0.52 0.00 0.00 52.55 51.84 1x53 s ASP 67 Cb 0.05 0.12 0.09 0.00 -1.46 0.00 0.00 42.92 41.73 1x53 s ASP 67 CO 0.53 -0.08 0.20 -0.76 0.52 0.00 0.00 175.17 175.58 1x53 s LEU 68 N -0.27 0.01 -0.08 -1.34 1.43 -1.26 -1.50 118.68 115.66 1x53 s LEU 68 Ca -0.03 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1x53 s LEU 68 Cb -0.02 0.23 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 1x53 s LEU 68 CO 0.00 -0.35 -0.06 -0.69 0.23 0.00 0.00 176.35 175.48 1x53 s VAL 69 N 2.28 3.81 -0.37 -1.59 1.01 -0.76 -5.03 120.40 119.74 1x53 s VAL 69 Ca 0.07 -0.43 -0.38 0.00 0.00 0.00 0.00 61.98 61.23 1x53 s VAL 69 Cb -0.16 -2.58 -0.14 0.00 0.00 0.00 0.00 36.38 33.51 1x53 s VAL 69 CO -0.17 0.59 2.09 -2.65 0.00 0.00 0.00 175.10 174.96 1x53 n PRO 70 N 2.35 0.86 -3.43 2.72 -0.02 -1.26 -2.18 135.00 134.03 1x53 n PRO 70 Ca -0.18 0.25 -0.17 0.00 -2.02 0.00 0.00 63.50 61.38 1x53 n PRO 70 Cb 0.53 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 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 7.51 -0.96 0.08 -0.52 1.02 -1.26 -4.68 120.64 121.84 1x53 n GLU 71 Ca 0.41 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1x53 n GLU 71 Cb 0.15 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 -2.86 0.00 -3.56 3.49 5.02 -0.92 -4.85 118.16 114.48 1x53 n LYS 72 Ca -0.16 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.05 1x53 n LYS 72 Cb 0.36 -0.31 -0.02 0.00 -0.02 0.00 0.00 35.03 35.05 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 -0.34 -0.04 2.13 -3.43 -1.24 -1.69 115.29 108.68 1x53 s HIS 73 Ca 0.00 0.12 -0.01 0.00 -0.80 0.00 0.00 55.06 54.37 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 -0.75 0.07 0.42 -2.00 0.00 0.00 174.74 172.47 1x53 s ILE 74 N -3.41 -0.10 -0.19 -5.38 1.01 0.52 -1.83 121.20 111.83 1x53 s ILE 74 Ca 0.06 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 1x53 s ILE 74 Cb -0.02 -0.15 -0.00 0.00 0.01 0.00 0.00 42.46 42.31 1x53 s ILE 74 CO -0.06 0.13 -0.10 -0.69 0.00 0.00 0.00 174.94 174.21 1x53 s VAL 75 N 1.61 2.98 0.30 2.92 1.01 -0.56 0.31 120.40 128.96 1x53 s VAL 75 Ca -0.03 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1x53 s VAL 75 Cb -0.12 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1x53 s VAL 75 CO -0.04 0.47 0.49 0.00 0.00 0.00 0.00 175.10 176.03 1x53 s MET 76 N 1.20 1.75 0.23 2.72 0.23 0.18 0.18 119.30 125.79 1x53 s MET 76 Ca 0.02 -1.49 -0.02 0.00 -1.03 0.00 0.00 55.69 53.17 1x53 s MET 76 Cb -0.14 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 1x53 s MET 76 CO -0.04 -0.73 0.45 0.15 -2.03 0.00 0.00 175.02 172.82 1x53 s LYS 77 N -3.46 3.55 0.01 3.16 1.02 -0.42 -0.10 119.74 123.50 1x53 s LYS 77 Ca 0.26 -0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.02 1x53 s LYS 77 Cb -0.01 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1x53 s LYS 77 CO 0.14 0.33 -0.02 -0.46 -0.92 0.00 0.00 175.35 174.42 1x53 s TRP 78 N -1.95 0.21 0.02 3.18 -0.00 0.59 -3.63 118.94 117.36 1x53 s TRP 78 Ca 0.40 -0.16 -0.29 0.00 -0.00 0.00 0.00 56.10 56.05 1x53 s TRP 78 Cb -0.11 -0.14 0.10 0.00 -0.00 0.00 0.00 33.47 33.32 1x53 s TRP 78 CO 0.29 -0.04 1.04 -0.98 -0.00 0.00 0.00 176.95 177.26 1x53 s ARG 79 N -0.43 0.78 0.32 5.86 1.70 -1.13 -0.02 118.95 126.03 1x53 s ARG 79 Ca -0.03 -0.37 0.07 0.00 -0.47 0.00 0.00 55.73 54.92 1x53 s ARG 79 Cb -0.03 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1x53 s ARG 79 CO -0.00 -0.35 0.39 -0.06 -1.08 0.00 0.00 175.30 174.20 1x53 s PHE 80 N -2.93 3.11 -1.68 5.89 0.08 -1.26 -3.01 117.98 118.17 1x53 s PHE 80 Ca 0.10 -0.20 0.24 0.00 0.12 0.00 0.00 56.93 57.18 1x53 s PHE 80 Cb -0.00 -1.84 1.29 0.00 -0.57 0.00 0.00 43.02 41.90 1x53 s PHE 80 CO -0.04 0.14 1.78 1.17 -0.10 0.00 0.00 175.22 178.18 1x53 n LYS 81 N -1.51 0.52 -0.00 0.44 0.00 0.32 -2.73 118.16 115.20 1x53 n LYS 81 Ca -0.02 0.04 0.04 0.00 0.00 0.00 0.00 58.31 58.36 1x53 n LYS 81 Cb 0.58 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 34.06 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 -1.16 3.04 -4.40 3.14 2.88 -1.26 -5.04 113.62 110.82 1x53 n SER 82 Ca 0.14 -0.05 -0.34 0.00 -1.33 0.00 0.00 58.87 57.28 1x53 n SER 82 Cb 0.14 1.32 0.10 0.00 -0.75 0.00 0.00 64.21 65.01 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 -1.71 -1.54 -0.80 0.66 7.02 -1.11 -4.91 117.44 115.06 1x53 n TRP 83 Ca -0.01 0.25 -0.33 0.00 -1.02 0.00 0.00 57.50 56.39 1x53 n TRP 83 Cb 0.19 -1.80 0.12 0.00 -2.42 0.00 0.00 31.31 27.40 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 -1.06 -0.41 -2.06 -0.99 -0.02 -1.26 -4.86 135.00 124.34 1x53 n PRO 84 Ca 0.07 -0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 1x53 n PRO 84 Cb 0.53 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 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 4.21 -0.77 -0.52 -6.30 -1.26 -3.11 118.70 107.48 1x53 s GLU 85 Ca 0.55 2.14 -0.00 0.00 -2.50 0.00 0.00 54.97 55.16 1x53 s GLU 85 Cb -0.20 -3.78 -0.00 0.00 0.00 0.00 0.00 34.13 30.15 1x53 s GLU 85 CO 0.69 -0.75 0.65 0.41 0.02 0.00 0.00 175.26 176.27 1x53 n GLY 86 N 3.96 -0.11 2.72 -1.50 0.00 -1.26 -5.03 105.19 103.97 1x53 n GLY 86 Ca 0.16 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.24 1.48 0.33 1.61 2.46 -1.18 -5.13 115.29 111.63 1x53 s HIS 87 Ca 0.02 -1.50 0.09 0.00 0.47 0.00 0.00 55.06 54.14 1x53 s HIS 87 Cb -0.00 -1.51 -0.06 0.00 -0.13 0.00 0.00 32.58 30.87 1x53 s HIS 87 CO 0.47 -0.82 -0.09 -0.06 -2.47 0.00 0.00 174.74 171.78 1x53 s PHE 88 N 1.70 2.30 -0.07 3.88 0.40 -1.26 -4.74 117.98 120.19 1x53 s PHE 88 Ca 0.07 -0.55 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1x53 s PHE 88 Cb -0.17 -1.33 -0.00 0.00 0.51 0.00 0.00 43.02 42.03 1x53 s PHE 88 CO -0.23 0.51 -0.22 0.00 0.70 0.00 0.00 175.22 175.98 1x53 s ALA 89 N -2.70 1.99 -0.42 5.36 0.00 0.97 -4.81 121.76 122.15 1x53 s ALA 89 Ca 0.32 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1x53 s ALA 89 Cb 0.03 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1x53 s ALA 89 CO 0.15 0.33 1.22 0.99 0.00 0.00 0.00 175.76 178.46 1x53 s THR 90 N 0.09 4.15 -0.08 0.00 2.01 -1.07 -0.30 115.64 120.44 1x53 s THR 90 Ca -0.09 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.13 1x53 s THR 90 Cb -0.15 -4.43 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 1x53 s THR 90 CO 0.05 -0.83 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.41 1x53 s ILE 91 N 4.61 3.32 -0.31 1.82 1.09 0.86 -0.94 121.20 131.65 1x53 s ILE 91 Ca 0.52 -0.61 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 1x53 s ILE 91 Cb -0.10 -2.35 0.10 0.00 -1.06 0.00 0.00 42.46 39.04 1x53 s ILE 91 CO 0.29 0.57 0.08 -0.89 -0.10 0.00 0.00 174.94 174.89 1x53 s THR 92 N -0.42 1.26 0.35 2.92 2.01 -0.41 -0.65 115.64 120.71 1x53 s THR 92 Ca 0.05 -1.62 -0.14 0.00 0.31 0.00 0.00 61.69 60.29 1x53 s THR 92 Cb -0.12 -1.93 -0.08 0.00 0.01 0.00 0.00 72.50 70.38 1x53 s THR 92 CO 0.02 -0.63 0.75 -0.76 -0.69 0.00 0.00 174.62 173.32 1x53 s LEU 93 N 1.43 3.98 -0.01 4.42 1.43 0.15 -2.35 118.68 127.73 1x53 s LEU 93 Ca 0.09 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1x53 s LEU 93 Cb -0.18 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 41.97 1x53 s LEU 93 CO -0.20 -0.28 -0.00 -0.89 0.23 0.00 0.00 176.35 175.21 1x53 s THR 94 N -2.12 0.07 -0.21 5.49 2.01 -1.13 -0.35 115.64 119.40 1x53 s THR 94 Ca 0.53 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 1x53 s THR 94 Cb -0.10 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 1x53 s THR 94 CO 0.22 0.05 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.81 1x53 s PHE 95 N 0.25 2.99 0.15 4.92 0.40 -0.68 -2.05 117.98 123.95 1x53 s PHE 95 Ca -0.02 -0.68 0.08 0.00 -0.60 0.00 0.00 56.93 55.71 1x53 s PHE 95 Cb -0.04 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 1x53 s PHE 95 CO -0.01 -0.38 -0.09 0.42 0.70 0.00 0.00 175.22 175.86 1x53 s ILE 96 N 1.21 3.30 -0.19 0.64 1.01 -1.17 -4.71 121.20 121.28 1x53 s ILE 96 Ca 0.03 -1.48 -0.09 0.00 0.00 0.00 0.00 60.65 59.11 1x53 s ILE 96 Cb -0.14 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1x53 s ILE 96 CO -0.00 -0.02 0.09 -0.62 0.00 0.00 0.00 174.94 174.40 1x53 s ASP 97 N -2.57 5.89 -0.03 3.58 2.15 -1.26 -2.94 116.67 121.48 1x53 s ASP 97 Ca 0.23 0.15 0.05 0.00 0.43 0.00 0.00 52.55 53.41 1x53 s ASP 97 Cb -0.10 -2.02 0.07 0.00 -0.30 0.00 0.00 42.92 40.57 1x53 s ASP 97 CO 0.15 0.17 0.96 0.29 -0.17 0.00 0.00 175.17 176.57 1x53 n LYS 98 N 3.55 1.86 -2.51 4.34 4.76 -0.74 -5.00 118.16 124.43 1x53 n LYS 98 Ca -0.16 -1.57 -0.06 0.00 -2.87 0.00 0.00 58.31 53.65 1x53 n LYS 98 Cb 0.52 -1.01 0.03 0.00 -1.84 0.00 0.00 35.03 32.74 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 -0.61 -2.02 0.00 4.39 5.15 -1.26 -4.46 115.26 116.45 1x53 n ASN 99 Ca 0.04 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1x53 n ASN 99 Cb 0.42 -2.16 0.00 0.00 -0.53 0.00 0.00 39.78 37.51 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 -1.05 2.28 3.37 8.20 0.00 -1.26 -5.13 105.19 111.61 1x53 n GLY 100 Ca -0.10 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 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 1.40 -0.11 1.61 2.02 -1.26 -3.40 118.70 118.96 1x53 s GLU 101 Ca 0.00 -1.66 0.02 0.00 0.02 0.00 0.00 54.97 53.35 1x53 s GLU 101 Cb 0.00 -1.08 0.01 0.00 0.10 0.00 0.00 34.13 33.16 1x53 s GLU 101 CO 0.00 0.11 -0.15 0.99 0.02 0.00 0.00 175.26 176.23 1x53 s THR 102 N -3.03 1.51 -0.55 3.63 2.01 0.97 -1.78 115.64 118.41 1x53 s THR 102 Ca 0.25 -0.65 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 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 0.08 0.44 0.76 -0.70 -0.69 0.00 0.00 174.62 174.52 1x53 s GLU 103 N 0.98 3.17 -0.59 4.92 2.12 -1.15 0.29 118.70 128.44 1x53 s GLU 103 Ca -0.07 -0.76 -0.25 0.00 0.36 0.00 0.00 54.97 54.25 1x53 s GLU 103 Cb -0.15 -4.12 0.04 0.00 0.26 0.00 0.00 34.13 30.16 1x53 s GLU 103 CO -0.01 -1.40 1.02 -1.17 -0.54 0.00 0.00 175.26 173.16 1x53 s LEU 104 N 3.16 3.94 -0.75 2.70 2.96 0.06 -3.04 118.68 127.71 1x53 s LEU 104 Ca 0.20 -0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 1x53 s LEU 104 Cb -0.18 -2.80 0.16 0.00 0.50 0.00 0.00 46.19 43.87 1x53 s LEU 104 CO 0.13 -1.36 0.77 0.00 -1.32 0.00 0.00 176.35 174.57 1x53 s MET 106 N 1.41 4.54 -0.32 0.00 1.75 0.43 -2.84 119.30 124.26 1x53 s MET 106 Ca 0.17 1.15 -0.01 0.00 -1.25 0.00 0.00 55.69 55.74 1x53 s MET 106 Cb -0.16 -3.35 0.11 0.00 2.84 0.00 0.00 34.83 34.28 1x53 s MET 106 CO -0.04 0.32 0.14 -2.00 -0.65 0.00 0.00 175.02 172.79 1x53 s GLU 107 N -0.24 0.62 -0.05 4.11 2.12 -0.99 -1.67 118.70 122.59 1x53 s GLU 107 Ca 0.39 -1.07 -0.01 0.00 0.36 0.00 0.00 54.97 54.64 1x53 s GLU 107 Cb -0.21 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 1x53 s GLU 107 CO 0.25 -1.04 0.04 0.20 -0.54 0.00 0.00 175.26 174.16 1x53 s GLY 108 N 1.53 1.94 -0.15 -1.50 0.00 -0.39 -1.29 107.32 107.46 1x53 s GLY 108 Ca 0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1x53 s GLY 108 CO -0.22 -0.64 0.13 1.09 0.00 0.00 0.00 173.10 173.46 1x53 s ARG 109 N -1.24 0.07 0.00 2.90 1.70 -0.12 -0.19 118.95 122.06 1x53 s ARG 109 Ca 0.17 0.14 0.00 0.00 -0.47 0.00 0.00 55.73 55.57 1x53 s ARG 109 Cb -0.12 -1.28 0.00 0.00 -0.57 0.00 0.00 34.95 32.98 1x53 s ARG 109 CO 0.07 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 1x53 n GLY 110 N 5.30 -0.05 3.69 3.88 0.00 -0.87 -2.60 105.19 114.53 1x53 n GLY 110 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.80 3.77 0.09 -0.61 1.09 -0.85 -4.58 121.20 119.32 1x53 s ILE 111 Ca 0.00 1.18 -0.36 0.00 -1.10 0.00 0.00 60.65 60.37 1x53 s ILE 111 Cb 0.00 -3.76 -0.17 0.00 -1.06 0.00 0.00 42.46 37.48 1x53 s ILE 111 CO 0.00 0.02 1.31 -2.65 -0.10 0.00 0.00 174.94 173.52 1x53 n PRO 112 N 5.03 1.12 -0.33 2.79 -0.02 -1.26 0.13 135.00 142.45 1x53 n PRO 112 Ca 0.12 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 1x53 n PRO 112 Cb 0.44 -2.02 0.13 0.00 -0.02 0.00 0.00 33.50 32.02 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 4.37 1.21 0.00 3.55 0.00 -0.80 1.06 119.26 128.65 1x53 h ALA 113 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1x53 h ALA 113 Cb 1.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1x53 h ALA 113 CO 0.76 0.42 0.00 -0.35 0.00 0.00 0.00 179.25 180.09 1x53 n PRO 114 N -4.53 0.48 0.00 0.00 -0.04 -1.26 -2.88 135.00 126.77 1x53 n PRO 114 Ca 0.12 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1x53 n PRO 114 Cb 0.11 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.15 3.67 -0.19 0.54 -0.58 -0.22 -4.84 120.64 117.88 1x53 n GLU 115 Ca 0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.82 1x53 n GLU 115 Cb 0.13 -0.61 -0.04 0.00 -0.57 0.00 0.00 31.44 30.34 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 -0.96 -0.20 0.00 3.49 2.13 0.35 0.07 120.64 125.52 1x53 n GLU 116 Ca 0.00 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.72 1x53 n GLU 116 Cb 0.00 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1x53 n GLU 116 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1x53 n GLU 117 N -4.11 0.00 -0.38 5.31 0.00 -1.26 -1.96 120.64 118.24 1x53 n GLU 117 Ca 0.01 0.70 -0.10 0.00 0.00 0.00 0.00 57.16 57.77 1x53 n GLU 117 Cb 0.12 -1.46 -0.09 0.00 0.00 0.00 0.00 31.44 30.01 1x53 n GLU 117 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1x53 n ARG 118 N -2.35 -0.40 0.00 5.31 0.63 -0.57 -0.30 116.66 118.99 1x53 n ARG 118 Ca 0.00 1.46 0.00 0.00 -0.92 0.00 0.00 57.85 58.39 1x53 n ARG 118 Cb 0.00 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1x53 n ARG 118 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1x53 n THR 119 N -5.02 0.00 -0.31 5.15 -1.04 0.11 0.44 114.28 113.61 1x53 n THR 119 Ca 0.02 1.39 0.10 0.00 -2.04 0.00 0.00 64.05 63.51 1x53 n THR 119 Cb 0.23 -1.86 0.26 0.00 -1.82 0.00 0.00 70.33 67.15 1x53 n THR 119 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1x53 h ARG 120 N 0.00 0.62 -0.71 -2.82 2.43 -0.71 0.79 114.38 113.97 1x53 h ARG 120 Ca 0.00 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1x53 h ARG 120 Cb 0.00 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1x53 h ARG 120 CO 0.00 0.41 0.47 1.96 -1.51 0.00 0.00 179.97 181.30 1x53 h GLN 121 N 0.64 0.83 -0.36 0.20 4.20 0.25 -2.04 115.11 118.82 1x53 h GLN 121 Ca 0.51 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1x53 h GLN 121 Cb 0.78 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1x53 h GLN 121 CO -0.39 0.55 0.00 0.41 -0.67 0.00 0.00 178.83 178.73 1x53 n GLY 122 N -1.44 3.46 0.02 3.46 0.00 0.17 -4.26 105.19 106.61 1x53 n GLY 122 Ca 0.09 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 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 0.06 0.23 0.00 1.61 -0.00 0.25 -4.49 117.44 115.10 1x53 n TRP 123 Ca 0.20 0.10 -0.06 0.00 -0.00 0.00 0.00 57.50 57.74 1x53 n TRP 123 Cb 0.81 -0.36 0.14 0.00 -0.00 0.00 0.00 31.31 31.90 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 -0.30 0.52 -0.57 5.87 7.50 -1.82 0.82 115.11 127.13 1x53 h GLN 124 Ca 0.00 -0.25 0.16 0.00 0.50 0.00 0.00 58.65 59.07 1x53 h GLN 124 Cb 0.19 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 1x53 h GLN 124 CO 0.00 0.81 0.90 0.00 -1.50 0.00 0.00 178.83 179.04 1x53 h ARG 125 N 0.44 0.00 0.00 1.46 2.47 -1.80 0.14 114.38 117.09 1x53 h ARG 125 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1x53 h ARG 125 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1x53 h ARG 125 CO 0.07 0.00 -0.93 0.66 0.56 0.00 0.00 179.97 180.33 1x53 n TYR 126 N -3.16 0.00 0.12 3.04 4.01 -1.10 -3.60 117.16 116.46 1x53 n TYR 126 Ca 0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.81 1x53 n TYR 126 Cb 1.08 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.09 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 -0.28 0.00 -0.72 -1.99 0.13 -3.29 116.97 110.82 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 0.93 0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.75 1x53 h TYR 127 CO 0.00 -0.18 -0.21 1.19 -0.00 0.00 0.00 178.16 178.96 1x53 n PHE 128 N -2.99 0.18 -0.52 4.88 3.72 -0.49 -3.59 117.46 118.65 1x53 n PHE 128 Ca -0.04 0.08 0.40 0.00 -0.05 0.00 0.00 57.45 57.84 1x53 n PHE 128 Cb 0.12 -0.31 0.62 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 -3.02 -0.00 -0.00 -1.08 -0.58 0.36 -0.40 120.64 115.91 1x53 n GLU 129 Ca -0.03 0.86 -0.00 0.00 -0.42 0.00 0.00 57.16 57.57 1x53 n GLU 129 Cb 0.11 -1.93 -0.00 0.00 -0.57 0.00 0.00 31.44 29.05 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 -0.00 -0.21 0.62 0.00 -1.63 -3.29 103.07 98.56 1x53 h GLY 130 Ca 0.72 0.00 0.23 0.00 0.00 0.00 0.00 47.33 48.28 1x53 h GLY 130 CO -0.07 -0.00 0.46 -2.22 0.00 0.00 0.00 176.54 174.71 1x53 h ILE 131 N -0.07 0.48 -0.65 2.60 2.04 -1.17 0.73 117.51 121.47 1x53 h ILE 131 Ca -0.00 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 65.90 1x53 h ILE 131 Cb 0.00 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1x53 h ILE 131 CO 0.00 0.08 0.47 0.11 0.00 0.00 0.00 178.15 178.81 1x53 h LYS 132 N 0.44 0.00 0.00 2.37 1.57 -0.89 0.12 116.57 120.18 1x53 h LYS 132 Ca 0.60 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.28 1x53 h LYS 132 Cb 1.15 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1x53 h LYS 132 CO -0.52 0.00 -1.28 1.04 -0.57 0.00 0.00 179.45 178.11 1x53 n GLN 133 N -4.34 0.54 0.02 3.15 1.13 0.21 -1.45 117.38 116.63 1x53 n GLN 133 Ca 0.13 0.25 -0.13 0.00 -1.94 0.00 0.00 57.00 55.30 1x53 n GLN 133 Cb 0.72 -1.47 -0.07 0.00 0.11 0.00 0.00 30.24 29.53 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 0.12 0.00 5.09 2.02 -0.19 -2.39 112.91 116.56 1x53 h THR 134 Ca -0.15 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1x53 h THR 134 Cb 1.10 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1x53 h THR 134 CO -0.09 0.00 -0.66 -0.26 0.37 0.00 0.00 175.52 174.88 1x53 h PHE 135 N -0.54 0.00 -0.62 3.16 -1.00 -1.01 -3.48 116.94 113.45 1x53 h PHE 135 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1x53 h PHE 135 Cb 0.65 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.21 1x53 h PHE 135 CO -0.48 0.25 0.00 0.41 -1.61 0.00 0.00 178.31 176.88 1x53 n GLY 136 N 1.21 0.89 2.19 -1.45 0.00 -0.56 -4.97 105.19 102.50 1x53 n GLY 136 Ca -0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.39 2.98 -4.20 1.61 4.01 -0.53 -4.80 117.16 113.84 1x53 n TYR 137 Ca 0.00 -1.76 -0.27 0.00 -0.16 0.00 0.00 57.90 55.71 1x53 n TYR 137 Cb 0.41 -0.91 -0.08 0.00 -0.31 0.00 0.00 39.34 38.45 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 -1.28 1.73 -0.26 2.72 0.00 -0.82 -1.51 107.32 107.90 1x53 s GLY 138 Ca 0.57 -1.36 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 1x53 s GLY 138 CO 0.11 -1.37 -0.23 0.00 0.00 0.00 0.00 173.10 171.60 1x53 n ALA 139 N -0.13 1.19 -2.82 3.20 0.00 -1.26 -4.76 120.51 115.93 1x53 n ALA 139 Ca -0.10 -1.01 -0.21 0.00 0.00 0.00 0.00 53.44 52.12 1x53 n ALA 139 Cb 0.55 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 -7.21 5.84 0.01 0.00 0.01 -1.26 -5.13 113.70 105.96 1x53 s SER 140 Ca -0.36 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1x53 s SER 140 Cb 0.12 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1x53 s SER 140 CO 0.54 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.69 1x53 n GLY 141 N -1.32 0.92 3.81 3.44 0.00 -1.26 -5.08 105.19 105.71 1x53 n GLY 141 Ca -0.07 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 1x53 n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x53 s PRO 142 N 1.80 0.97 0.04 1.61 0.04 -1.26 -5.10 135.00 133.10 1x53 s PRO 142 Ca 0.00 0.11 -0.13 0.00 0.04 0.00 0.00 61.00 61.03 1x53 s PRO 142 Cb 0.00 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.72 1x53 s PRO 142 CO 0.00 -2.28 0.27 -1.12 0.04 0.00 0.00 177.00 173.91 1x53 s SER 143 N -4.25 -0.08 -0.47 6.66 0.01 -1.26 -5.13 113.70 109.18 1x53 s SER 143 Ca 0.66 -0.24 -0.16 0.00 1.31 0.00 0.00 55.95 57.51 1x53 s SER 143 Cb -0.12 0.34 0.06 0.00 0.21 0.00 0.00 66.02 66.52 1x53 s SER 143 CO 0.53 -0.60 0.44 -0.94 0.41 0.00 0.00 173.24 173.07 1x53 s SER 144 N -2.09 6.16 0.00 2.44 1.04 -1.26 -5.36 113.70 114.64 1x53 s SER 144 Ca -0.05 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1x53 s SER 144 Cb -0.01 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1x53 s SER 144 CO -0.04 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.11