#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 4.56 -0.05 1.61 1.04 -1.26 -4.82 113.70 114.78 1x53 s SER 2 Ca 0.00 0.86 -0.17 0.00 0.48 0.00 0.00 55.95 57.12 1x53 s SER 2 Cb 0.00 -2.51 -0.12 0.00 0.10 0.00 0.00 66.02 63.49 1x53 s SER 2 CO 0.00 -2.85 0.70 -1.28 0.98 0.00 0.00 173.24 170.79 1x53 h SER 3 N 18.26 -0.28 -3.21 7.02 0.87 -2.11 -3.50 113.55 130.61 1x53 h SER 3 Ca -0.23 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1x53 h SER 3 Cb 1.23 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1x53 h SER 3 CO 1.16 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 178.30 1x53 n GLY 4 N 0.63 -2.16 3.48 5.77 0.00 -1.26 -5.12 105.19 106.52 1x53 n GLY 4 Ca -0.07 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.17 -0.33 -0.58 1.61 0.01 -1.26 -5.10 113.70 106.88 1x53 s SER 5 Ca 0.00 -0.35 -0.27 0.00 1.31 0.00 0.00 55.95 56.64 1x53 s SER 5 Cb 0.00 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.79 1x53 s SER 5 CO 0.00 -1.01 1.73 -0.55 0.41 0.00 0.00 173.24 173.82 1x53 s SER 6 N -2.83 5.56 0.00 2.44 0.15 -1.26 -4.77 113.70 112.99 1x53 s SER 6 Ca 0.06 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1x53 s SER 6 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1x53 s SER 6 CO -0.06 -2.14 0.00 0.61 1.20 0.00 0.00 173.24 172.85 1x53 n GLY 7 N 5.57 0.91 3.73 9.45 0.00 -1.26 -5.09 105.19 118.49 1x53 n GLY 7 Ca 0.18 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.10 4.69 0.41 -0.61 1.01 -1.26 -5.10 121.20 119.24 1x53 s ILE 8 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 1x53 s ILE 8 Cb 0.00 -3.01 -0.10 0.00 0.01 0.00 0.00 42.46 39.36 1x53 s ILE 8 CO 0.00 0.59 0.98 -2.16 0.00 0.00 0.00 174.94 174.35 1x53 s PRO 9 N -0.75 4.23 0.30 2.79 0.04 -1.26 -4.97 135.00 135.38 1x53 s PRO 9 Ca 0.12 1.27 0.05 0.00 0.04 0.00 0.00 61.00 62.48 1x53 s PRO 9 Cb -0.12 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1x53 s PRO 9 CO 0.03 -0.04 0.26 0.95 0.04 0.00 0.00 177.00 178.23 1x53 s THR 10 N -1.94 0.00 0.30 1.26 -4.23 -1.26 -0.11 115.64 109.66 1x53 s THR 10 Ca 0.59 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1x53 s THR 10 Cb -0.14 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.20 1x53 s THR 10 CO 0.19 0.00 0.53 0.00 -0.54 0.00 0.00 174.62 174.80 1x53 s LYS 12 N -3.40 3.63 -0.56 0.00 2.20 -1.26 -2.06 119.74 118.29 1x53 s LYS 12 Ca 0.24 -0.01 0.06 0.00 -0.36 0.00 0.00 55.97 55.90 1x53 s LYS 12 Cb -0.01 -3.06 0.21 0.00 -1.51 0.00 0.00 37.83 33.46 1x53 s LYS 12 CO 0.13 0.62 0.53 -0.89 -0.36 0.00 0.00 175.35 175.39 1x53 n ILE 13 N 1.05 0.67 -3.17 5.43 2.08 0.77 -4.99 119.36 121.21 1x53 n ILE 13 Ca -0.10 -4.44 -0.41 0.00 0.56 0.00 0.00 62.75 58.36 1x53 n ILE 13 Cb 0.53 -1.99 -0.07 0.00 -0.75 0.00 0.00 39.64 37.36 1x53 n ILE 13 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1x53 s THR 14 N -1.30 4.99 0.02 1.39 2.01 -1.26 -2.84 115.64 118.64 1x53 s THR 14 Ca 0.33 0.82 0.08 0.00 0.31 0.00 0.00 61.69 63.22 1x53 s THR 14 Cb 0.07 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1x53 s THR 14 CO -0.13 -0.07 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.74 1x53 s LEU 15 N 2.48 2.11 -0.28 4.42 1.43 -0.26 -4.97 118.68 123.61 1x53 s LEU 15 Ca 0.23 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1x53 s LEU 15 Cb -0.15 -1.19 0.09 0.00 0.03 0.00 0.00 46.19 44.97 1x53 s LEU 15 CO 0.11 0.25 0.08 -0.54 0.23 0.00 0.00 176.35 176.48 1x53 s LYS 16 N -0.92 0.74 0.13 1.70 1.02 -1.26 0.48 119.74 121.63 1x53 s LYS 16 Ca 0.10 -0.91 0.11 0.00 0.02 0.00 0.00 55.97 55.28 1x53 s LYS 16 Cb -0.09 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1x53 s LYS 16 CO 0.01 -0.89 -0.26 -2.00 -0.92 0.00 0.00 175.35 171.29 1x53 s GLU 17 N 1.67 1.37 -0.13 1.68 2.56 -0.97 -4.96 118.70 119.92 1x53 s GLU 17 Ca 0.06 -1.34 -0.05 0.00 0.00 0.00 0.00 54.97 53.64 1x53 s GLU 17 Cb -0.17 -1.84 -0.04 0.00 2.00 0.00 0.00 34.13 34.08 1x53 s GLU 17 CO -0.21 0.43 0.06 0.99 -0.56 0.00 0.00 175.26 175.97 1x53 s THR 18 N -1.10 4.79 -0.02 -1.70 2.01 -1.26 -0.26 115.64 118.09 1x53 s THR 18 Ca 0.13 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.12 1x53 s THR 18 Cb -0.10 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1x53 s THR 18 CO 0.06 0.55 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.05 1x53 s PHE 19 N -0.43 2.72 -0.04 4.92 0.40 0.11 -4.76 117.98 120.90 1x53 s PHE 19 Ca 0.10 -0.15 -0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1x53 s PHE 19 Cb -0.12 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.84 1x53 s PHE 19 CO 0.02 0.24 2.01 1.28 0.70 0.00 0.00 175.22 179.47 1x53 n LEU 20 N 2.03 5.48 -3.87 -0.37 7.99 -0.74 0.10 117.00 127.62 1x53 n LEU 20 Ca -0.17 -2.52 -0.09 0.00 -0.01 0.00 0.00 56.01 53.23 1x53 n LEU 20 Cb 0.52 -1.12 -0.07 0.00 -0.11 0.00 0.00 43.42 42.64 1x53 n LEU 20 CO 0.27 1.04 -0.10 0.28 -1.51 0.00 0.00 177.39 177.37 1x53 s THR 21 N -0.26 0.14 0.64 -5.08 -1.32 -1.21 -4.85 115.64 103.70 1x53 s THR 21 Ca 0.04 -1.22 -0.15 0.00 -1.21 0.00 0.00 61.69 59.15 1x53 s THR 21 Cb 0.03 -1.39 -0.01 0.00 -1.51 0.00 0.00 72.50 69.62 1x53 s THR 21 CO -0.00 -0.63 1.08 -0.44 -2.21 0.00 0.00 174.62 172.42 1x53 s SER 22 N -2.87 5.40 0.16 8.08 0.01 -1.26 -2.17 113.70 121.04 1x53 s SER 22 Ca 0.06 1.88 -0.25 0.00 1.31 0.00 0.00 55.95 58.96 1x53 s SER 22 Cb 0.05 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.77 1x53 s SER 22 CO -0.10 -1.43 1.59 -0.65 0.41 0.00 0.00 173.24 173.06 1x53 h PRO 23 N 0.11 -0.28 -0.33 12.44 0.11 -1.87 -2.36 132.00 139.81 1x53 h PRO 23 Ca -0.46 0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.72 1x53 h PRO 23 Cb 1.23 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.33 1x53 h PRO 23 CO 0.56 -0.19 -0.51 1.49 -0.21 0.00 0.00 178.00 179.14 1x53 h GLU 24 N -0.29 -0.41 -0.80 1.05 4.81 -1.93 0.62 114.58 117.63 1x53 h GLU 24 Ca 0.15 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.58 1x53 h GLU 24 Cb 0.56 0.09 -0.15 0.00 0.63 0.00 0.00 28.75 29.89 1x53 h GLU 24 CO -0.54 -0.27 -0.13 1.49 -0.73 0.00 0.00 179.01 178.83 1x53 h GLU 25 N -0.42 0.03 0.00 1.92 4.57 -1.81 1.34 114.58 120.20 1x53 h GLU 25 Ca 0.09 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1x53 h GLU 25 Cb 0.62 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1x53 h GLU 25 CO -0.54 0.02 0.00 1.25 -1.18 0.00 0.00 179.01 178.55 1x53 h LEU 26 N 0.03 0.00 -0.76 1.64 5.85 -0.75 -3.16 115.31 118.16 1x53 h LEU 26 Ca 0.41 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 1x53 h LEU 26 Cb 0.67 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1x53 h LEU 26 CO -0.79 0.00 0.21 0.22 -0.34 0.00 0.00 178.44 177.74 1x53 h TYR 27 N 0.00 1.19 0.04 1.25 3.20 0.74 -3.13 116.97 120.26 1x53 h TYR 27 Ca 0.00 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 1x53 h TYR 27 Cb 0.61 -0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1x53 h TYR 27 CO 0.00 0.95 -0.27 0.00 -1.64 0.00 0.00 178.16 177.19 1x53 h ARG 28 N 1.09 0.11 -1.39 1.82 -0.00 -1.46 -2.51 114.38 112.05 1x53 h ARG 28 Ca 0.23 -0.18 0.40 0.00 -0.50 0.00 0.00 59.98 59.94 1x53 h ARG 28 Cb 0.33 0.06 -0.06 0.00 0.00 0.00 0.00 29.97 30.31 1x53 h ARG 28 CO -0.00 1.05 1.22 0.28 0.00 0.00 0.00 179.97 182.52 1x53 h VAL 29 N -0.74 0.06 0.00 2.04 2.07 -1.55 1.98 116.25 120.12 1x53 h VAL 29 Ca -0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1x53 h VAL 29 Cb 1.18 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1x53 h VAL 29 CO 0.05 0.00 -1.97 0.49 0.02 0.00 0.00 177.57 176.16 1x53 n PHE 30 N -3.63 0.00 -1.57 1.57 3.01 -1.19 -4.22 117.46 111.43 1x53 n PHE 30 Ca 0.31 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.68 1x53 n PHE 30 Cb 1.64 -0.55 0.16 0.00 -0.01 0.00 0.00 39.48 40.72 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 -2.30 2.60 -3.53 4.37 -2.24 0.59 -4.90 114.28 108.87 1x53 n THR 31 Ca -0.10 -3.09 -0.24 0.00 -2.27 0.00 0.00 64.05 58.35 1x53 n THR 31 Cb 0.65 -0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 68.22 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 -3.62 -0.19 0.25 4.28 2.01 0.33 -4.47 115.64 114.24 1x53 s THR 32 Ca 0.47 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.99 1x53 s THR 32 Cb 0.41 -0.80 0.32 0.00 0.01 0.00 0.00 72.50 72.45 1x53 s THR 32 CO -0.01 -0.44 1.61 -0.61 -0.69 0.00 0.00 174.62 174.48 1x53 h GLN 33 N 8.37 0.05 0.22 4.92 4.15 -1.87 -0.88 115.11 130.07 1x53 h GLN 33 Ca -0.17 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 1x53 h GLN 33 Cb 1.09 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1x53 h GLN 33 CO 0.35 0.03 -0.19 1.49 -1.93 0.00 0.00 178.83 178.57 1x53 h GLU 34 N 0.05 -0.39 -1.16 1.69 4.81 -1.91 -0.70 114.58 116.97 1x53 h GLU 34 Ca 0.43 0.03 0.34 0.00 -0.13 0.00 0.00 59.36 60.03 1x53 h GLU 34 Cb 0.75 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 1x53 h GLU 34 CO -0.77 -0.26 0.98 -0.07 -0.73 0.00 0.00 179.01 178.16 1x53 h LEU 35 N -0.41 0.00 -0.05 1.64 3.38 -1.71 0.55 115.31 118.72 1x53 h LEU 35 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1x53 h LEU 35 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1x53 h LEU 35 CO -0.01 0.00 -0.49 0.58 0.09 0.00 0.00 178.44 178.61 1x53 h VAL 36 N 0.00 1.42 0.00 1.22 2.07 -0.27 -3.04 116.25 117.65 1x53 h VAL 36 Ca 0.55 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1x53 h VAL 36 Cb 2.51 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 34.71 1x53 h VAL 36 CO -0.01 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.14 1x53 n GLN 37 N -4.28 0.34 -0.10 1.57 6.02 0.19 -1.87 117.38 119.25 1x53 n GLN 37 Ca -0.09 0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.73 1x53 n GLN 37 Cb 0.60 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.25 1x53 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x53 n ALA 38 N -1.09 0.82 0.90 -1.58 0.00 -0.95 -2.60 120.51 116.00 1x53 n ALA 38 Ca 0.09 -0.53 0.07 0.00 0.00 0.00 0.00 53.44 53.07 1x53 n ALA 38 Cb 0.06 -0.52 0.22 0.00 0.00 0.00 0.00 19.45 19.21 1x53 n ALA 38 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1x53 n PHE 39 N -4.37 0.43 0.00 0.00 1.16 -1.11 -3.85 117.46 109.72 1x53 n PHE 39 Ca -0.34 -0.21 0.00 0.00 -1.87 0.00 0.00 57.45 55.03 1x53 n PHE 39 Cb 0.71 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.58 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 -4.00 1.97 -2.24 -0.78 -4.69 114.28 105.08 1x53 n THR 40 Ca 0.14 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.63 1x53 n THR 40 Cb 0.33 -0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.77 -1.80 -3.52 4.78 8.25 -1.07 -4.81 115.22 115.27 1x53 n HIS 41 Ca 0.00 0.80 -0.17 0.00 -0.26 0.00 0.00 57.72 58.09 1x53 n HIS 41 Cb 0.31 -3.61 -0.06 0.00 1.12 0.00 0.00 29.99 27.75 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 -3.64 -1.78 -0.85 -1.41 0.00 -1.26 -4.93 121.76 107.88 1x53 s ALA 42 Ca 0.32 1.33 -0.23 0.00 0.00 0.00 0.00 51.96 53.38 1x53 s ALA 42 Cb -0.17 -0.06 -0.21 0.00 0.00 0.00 0.00 23.12 22.68 1x53 s ALA 42 CO 0.88 -0.37 2.43 -2.30 0.00 0.00 0.00 175.76 176.40 1x53 n PRO 43 N 0.85 0.32 -4.76 0.00 -0.02 -1.26 -4.58 135.00 125.56 1x53 n PRO 43 Ca -0.18 -0.16 -0.33 0.00 -2.02 0.00 0.00 63.50 60.81 1x53 n PRO 43 Cb 0.57 -2.18 -0.13 0.00 -0.02 0.00 0.00 33.50 31.74 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 8.25 2.75 -0.35 3.55 0.00 -1.26 -3.81 121.76 130.89 1x53 s ALA 44 Ca 1.19 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.27 1x53 s ALA 44 Cb -0.70 -1.14 0.10 0.00 0.00 0.00 0.00 23.12 21.37 1x53 s ALA 44 CO 0.39 0.44 0.06 0.99 0.00 0.00 0.00 175.76 177.64 1x53 s THR 45 N -0.34 2.22 -0.06 0.00 2.01 0.33 -4.85 115.64 114.96 1x53 s THR 45 Ca 0.04 -2.35 0.03 0.00 0.31 0.00 0.00 61.69 59.72 1x53 s THR 45 Cb -0.13 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1x53 s THR 45 CO 0.02 -0.61 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.00 1x53 s LEU 46 N 0.88 2.85 -0.35 4.42 0.20 -1.26 0.21 118.68 125.64 1x53 s LEU 46 Ca 0.11 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.78 1x53 s LEU 46 Cb -0.19 -1.59 0.11 0.00 -0.43 0.00 0.00 46.19 44.09 1x53 s LEU 46 CO -0.08 0.35 0.14 -1.61 -0.29 0.00 0.00 176.35 174.85 1x53 s GLU 47 N -0.72 0.85 -0.64 1.98 0.41 -0.98 -4.13 118.70 115.47 1x53 s GLU 47 Ca 0.11 -1.34 -0.26 0.00 -0.41 0.00 0.00 54.97 53.08 1x53 s GLU 47 Cb -0.11 -2.04 -0.09 0.00 -1.78 0.00 0.00 34.13 30.11 1x53 s GLU 47 CO 0.01 -1.05 2.33 0.00 -0.49 0.00 0.00 175.26 176.06 1x53 s ALA 48 N 1.25 1.34 -0.25 5.21 0.00 -1.26 -4.33 121.76 123.72 1x53 s ALA 48 Ca 0.12 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 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 -0.17 -4.96 1.25 0.34 0.00 0.00 0.00 175.76 172.22 1x53 s ASP 49 N 11.07 -0.16 -0.49 0.00 2.15 -1.26 -5.02 116.67 122.96 1x53 s ASP 49 Ca 0.91 0.21 -0.26 0.00 0.43 0.00 0.00 52.55 53.84 1x53 s ASP 49 Cb -0.14 0.18 -0.07 0.00 -0.30 0.00 0.00 42.92 42.59 1x53 s ASP 49 CO 0.17 -0.12 2.41 -0.13 -0.17 0.00 0.00 175.17 177.33 1x53 s ARG 50 N -0.77 2.08 0.00 4.34 0.52 -1.26 -0.26 118.95 123.60 1x53 s ARG 50 Ca 0.05 1.41 0.00 0.00 -0.52 0.00 0.00 55.73 56.67 1x53 s ARG 50 Cb -0.02 -4.59 0.00 0.00 0.52 0.00 0.00 34.95 30.86 1x53 s ARG 50 CO -0.06 -3.30 0.00 0.41 0.02 0.00 0.00 175.30 172.36 1x53 n GLY 51 N 6.01 0.67 3.49 -3.53 0.00 0.40 -4.97 105.19 107.26 1x53 n GLY 51 Ca 0.37 0.00 -0.29 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 -1.04 1.52 -0.07 -0.02 0.00 0.64 -4.42 107.32 103.94 1x53 s GLY 52 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.36 1x53 s GLY 52 CO 0.00 0.39 -0.15 0.54 0.00 0.00 0.00 173.10 173.87 1x53 s LYS 53 N -4.74 2.70 -0.12 2.90 3.01 -1.26 -1.09 119.74 121.13 1x53 s LYS 53 Ca 0.68 -0.72 0.01 0.00 -1.01 0.00 0.00 55.97 54.93 1x53 s LYS 53 Cb -0.20 -2.40 0.02 0.00 -1.01 0.00 0.00 37.83 34.23 1x53 s LYS 53 CO 0.62 0.50 -0.15 -0.59 0.51 0.00 0.00 175.35 176.24 1x53 s PHE 54 N -0.42 2.09 -0.04 3.18 -0.12 -1.14 -2.33 117.98 119.20 1x53 s PHE 54 Ca 0.05 -1.06 0.03 0.00 -0.05 0.00 0.00 56.93 55.90 1x53 s PHE 54 Cb -0.12 -1.51 0.00 0.00 -0.63 0.00 0.00 43.02 40.76 1x53 s PHE 54 CO 0.02 -0.56 -0.11 -1.58 -0.05 0.00 0.00 175.22 172.94 1x53 s HIS 55 N 1.16 1.19 0.23 3.49 2.46 0.13 -2.17 115.29 121.77 1x53 s HIS 55 Ca -0.02 -0.33 -0.10 0.00 0.47 0.00 0.00 55.06 55.07 1x53 s HIS 55 Cb -0.14 -0.84 -0.01 0.00 -0.13 0.00 0.00 32.58 31.46 1x53 s HIS 55 CO -0.05 -0.14 0.39 0.00 -2.47 0.00 0.00 174.74 172.47 1x53 s MET 56 N 0.24 1.43 -0.42 2.88 0.23 -0.65 0.12 119.30 123.14 1x53 s MET 56 Ca -0.05 -1.31 -0.01 0.00 -1.03 0.00 0.00 55.69 53.29 1x53 s MET 56 Cb -0.10 0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 33.61 1x53 s MET 56 CO 0.01 -0.57 0.35 0.28 -2.03 0.00 0.00 175.02 173.07 1x53 n VAL 57 N -0.34 -3.05 -3.35 5.16 0.31 -1.26 -2.01 118.33 113.79 1x53 n VAL 57 Ca -0.02 -0.33 -0.24 0.00 -0.01 0.00 0.00 64.34 63.75 1x53 n VAL 57 Cb 0.63 -3.83 0.01 0.00 -0.91 0.00 0.00 33.84 29.74 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 -1.95 -4.25 -2.16 4.52 2.03 -1.26 -1.80 116.55 111.68 1x53 n ASP 58 Ca -0.07 -0.40 -0.08 0.00 0.52 0.00 0.00 54.79 54.76 1x53 n ASP 58 Cb 0.55 -3.49 0.04 0.00 -0.72 0.00 0.00 41.12 37.51 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 -1.28 0.05 0.00 0.27 0.00 -1.22 -4.96 105.19 98.05 1x53 n GLY 59 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.04 4.41 -3.90 1.61 3.02 -0.75 -4.78 115.26 112.83 1x53 n ASN 60 Ca -0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.16 1x53 n ASN 60 Cb 0.57 0.92 -0.17 0.00 -0.61 0.00 0.00 39.78 40.50 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 -2.14 1.09 0.41 2.41 1.01 -0.85 0.16 120.40 122.49 1x53 s VAL 61 Ca -0.01 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1x53 s VAL 61 Cb 0.01 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 1x53 s VAL 61 CO 0.10 0.22 0.03 -0.94 0.00 0.00 0.00 175.10 174.52 1x53 s SER 62 N 1.66 3.47 0.00 3.32 1.04 -1.12 -1.63 113.70 120.43 1x53 s SER 62 Ca 0.02 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.00 1x53 s SER 62 Cb -0.14 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1x53 s SER 62 CO -0.08 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1x53 n GLY 63 N -0.95 -1.25 3.07 7.32 0.00 -0.92 -2.95 105.19 109.51 1x53 n GLY 63 Ca -0.07 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 0.23 -0.03 1.61 -1.05 -1.24 -2.87 118.70 115.21 1x53 s GLU 64 Ca 0.00 0.33 -0.30 0.00 -0.15 0.00 0.00 54.97 54.85 1x53 s GLU 64 Cb 0.00 0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1x53 s GLU 64 CO 0.00 -0.06 1.09 -0.06 0.95 0.00 0.00 175.26 177.19 1x53 s PHE 65 N 0.33 3.44 -0.17 4.83 0.40 -0.25 -1.13 117.98 125.44 1x53 s PHE 65 Ca -0.02 1.46 0.03 0.00 -0.60 0.00 0.00 56.93 57.79 1x53 s PHE 65 Cb -0.03 -3.28 -0.12 0.00 0.51 0.00 0.00 43.02 40.10 1x53 s PHE 65 CO -0.01 -0.68 -0.13 0.25 0.70 0.00 0.00 175.22 175.35 1x53 n THR 66 N 4.29 0.97 -3.89 0.64 -2.24 0.13 0.15 114.28 114.33 1x53 n THR 66 Ca 0.09 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1x53 n THR 66 Cb 0.48 -1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 67.53 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 -5.53 0.05 -0.15 3.42 2.15 -0.38 -4.75 116.67 111.48 1x53 s ASP 67 Ca -0.21 -0.11 -0.04 0.00 0.43 0.00 0.00 52.55 52.62 1x53 s ASP 67 Cb 0.06 0.02 0.07 0.00 -0.30 0.00 0.00 42.92 42.76 1x53 s ASP 67 CO 0.41 -0.06 0.16 -0.76 -0.17 0.00 0.00 175.17 174.74 1x53 s LEU 68 N -0.31 0.04 -0.05 -1.34 1.43 -1.26 -1.42 118.68 115.77 1x53 s LEU 68 Ca -0.03 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1x53 s LEU 68 Cb -0.02 0.14 -0.02 0.00 0.03 0.00 0.00 46.19 46.32 1x53 s LEU 68 CO -0.00 -0.30 -0.16 -0.69 0.23 0.00 0.00 176.35 175.42 1x53 s VAL 69 N 2.25 2.89 -0.38 -1.59 1.01 -0.84 -5.04 120.40 118.71 1x53 s VAL 69 Ca 0.04 -0.78 -0.38 0.00 0.00 0.00 0.00 61.98 60.86 1x53 s VAL 69 Cb -0.14 -2.12 -0.14 0.00 0.00 0.00 0.00 36.38 33.98 1x53 s VAL 69 CO -0.09 0.58 2.12 -2.65 0.00 0.00 0.00 175.10 175.07 1x53 n PRO 70 N 2.44 0.83 -3.46 2.72 -0.02 -1.26 -2.19 135.00 134.06 1x53 n PRO 70 Ca -0.17 0.24 -0.17 0.00 -2.02 0.00 0.00 63.50 61.38 1x53 n PRO 70 Cb 0.52 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 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 7.67 -0.96 0.08 -0.52 1.02 -1.26 -4.68 120.64 121.99 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 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 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 -2.90 0.00 -3.56 3.49 5.02 -0.93 -4.81 118.16 114.47 1x53 n LYS 72 Ca -0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.04 1x53 n LYS 72 Cb 0.37 -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 -0.36 -0.03 2.13 -3.43 -1.24 -1.96 115.29 108.39 1x53 s HIS 73 Ca 0.00 0.13 -0.01 0.00 -0.80 0.00 0.00 55.06 54.38 1x53 s HIS 73 Cb 0.00 0.58 0.03 0.00 -1.43 0.00 0.00 32.58 31.77 1x53 s HIS 73 CO 0.00 -0.79 0.05 0.42 -2.00 0.00 0.00 174.74 172.42 1x53 s ILE 74 N -3.48 -0.08 -0.19 -5.38 1.01 -0.45 -1.98 121.20 110.65 1x53 s ILE 74 Ca 0.05 0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.99 1x53 s ILE 74 Cb -0.02 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.34 1x53 s ILE 74 CO -0.07 0.12 -0.16 -0.69 0.00 0.00 0.00 174.94 174.15 1x53 s VAL 75 N 1.48 2.44 0.31 2.92 1.01 -0.51 0.53 120.40 128.59 1x53 s VAL 75 Ca -0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1x53 s VAL 75 Cb -0.13 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1x53 s VAL 75 CO -0.03 0.51 0.51 0.00 0.00 0.00 0.00 175.10 176.08 1x53 s MET 76 N 1.28 1.80 0.13 2.72 0.23 0.51 0.17 119.30 126.14 1x53 s MET 76 Ca 0.04 -1.52 -0.06 0.00 -1.03 0.00 0.00 55.69 53.11 1x53 s MET 76 Cb -0.14 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 33.58 1x53 s MET 76 CO -0.09 -0.76 0.39 0.15 -2.03 0.00 0.00 175.02 172.68 1x53 s LYS 77 N -3.35 3.66 0.01 3.16 1.02 -0.28 -0.10 119.74 123.85 1x53 s LYS 77 Ca 0.26 -0.00 0.03 0.00 0.02 0.00 0.00 55.97 56.27 1x53 s LYS 77 Cb -0.01 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1x53 s LYS 77 CO 0.15 0.49 -0.09 -0.46 -0.92 0.00 0.00 175.35 174.52 1x53 s TRP 78 N -1.59 0.76 -0.03 3.18 -0.00 0.56 -3.65 118.94 118.17 1x53 s TRP 78 Ca 0.39 -0.23 -0.30 0.00 -0.00 0.00 0.00 56.10 55.95 1x53 s TRP 78 Cb -0.12 -0.47 0.11 0.00 -0.00 0.00 0.00 33.47 32.98 1x53 s TRP 78 CO 0.22 -0.02 1.10 -0.98 -0.00 0.00 0.00 176.95 177.27 1x53 s ARG 79 N -0.60 0.64 0.36 5.86 1.70 -1.15 -0.02 118.95 125.74 1x53 s ARG 79 Ca 0.00 -0.30 0.05 0.00 -0.47 0.00 0.00 55.73 55.02 1x53 s ARG 79 Cb -0.05 0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.58 1x53 s ARG 79 CO 0.00 -0.29 0.51 -0.06 -1.08 0.00 0.00 175.30 174.38 1x53 s PHE 80 N -2.78 3.12 -1.48 5.89 0.08 -1.26 -2.81 117.98 118.75 1x53 s PHE 80 Ca 0.10 -0.15 0.24 0.00 0.12 0.00 0.00 56.93 57.24 1x53 s PHE 80 Cb 0.00 -2.07 1.22 0.00 -0.57 0.00 0.00 43.02 41.60 1x53 s PHE 80 CO -0.04 -0.10 1.79 1.17 -0.10 0.00 0.00 175.22 177.94 1x53 n LYS 81 N -1.73 0.37 -0.00 0.44 0.00 0.43 -2.73 118.16 114.94 1x53 n LYS 81 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 58.31 58.41 1x53 n LYS 81 Cb 0.58 -1.50 -0.05 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 -1.26 1.82 -4.51 3.14 2.88 -1.26 -5.04 113.62 109.39 1x53 n SER 82 Ca 0.12 -0.33 -0.34 0.00 -1.33 0.00 0.00 58.87 56.98 1x53 n SER 82 Cb 0.18 1.19 0.10 0.00 -0.75 0.00 0.00 64.21 64.93 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 -0.45 -1.59 0.66 7.02 -1.11 -4.86 117.44 115.63 1x53 n TRP 83 Ca -0.00 0.33 -0.44 0.00 -1.02 0.00 0.00 57.50 56.36 1x53 n TRP 83 Cb 0.16 -1.93 -0.01 0.00 -2.42 0.00 0.00 31.31 27.12 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 -1.72 1.34 -1.66 -0.99 -0.02 -1.26 -4.81 135.00 125.88 1x53 n PRO 84 Ca 0.10 0.47 -0.47 0.00 -2.02 0.00 0.00 63.50 61.58 1x53 n PRO 84 Cb 0.51 -1.85 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 1x53 n PRO 84 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1x53 n GLU 85 N 0.69 2.19 -2.41 -0.52 2.13 -1.26 -1.98 120.64 119.49 1x53 n GLU 85 Ca 0.10 0.79 -0.02 0.00 0.66 0.00 0.00 57.16 58.68 1x53 n GLU 85 Cb 0.33 -2.73 0.01 0.00 0.27 0.00 0.00 31.44 29.32 1x53 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x53 n GLY 86 N 4.67 0.58 2.69 8.31 0.00 -1.26 -5.06 105.19 115.12 1x53 n GLY 86 Ca 0.24 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.04 0.92 0.31 1.61 5.04 -0.84 -5.13 115.29 114.16 1x53 s HIS 87 Ca 0.04 -0.94 0.07 0.00 -1.54 0.00 0.00 55.06 52.69 1x53 s HIS 87 Cb -0.02 -1.08 -0.06 0.00 0.04 0.00 0.00 32.58 31.46 1x53 s HIS 87 CO 0.08 -0.68 -0.03 -0.06 -2.34 0.00 0.00 174.74 171.71 1x53 s PHE 88 N 1.89 2.08 -0.07 3.88 0.40 -1.26 -4.76 117.98 120.14 1x53 s PHE 88 Ca 0.03 -0.72 0.05 0.00 -0.60 0.00 0.00 56.93 55.69 1x53 s PHE 88 Cb -0.17 -1.26 -0.00 0.00 0.51 0.00 0.00 43.02 42.10 1x53 s PHE 88 CO -0.16 0.29 -0.22 0.00 0.70 0.00 0.00 175.22 175.84 1x53 s ALA 89 N -2.97 1.94 -0.44 5.36 0.00 0.98 -4.82 121.76 121.81 1x53 s ALA 89 Ca 0.32 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1x53 s ALA 89 Cb 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1x53 s ALA 89 CO 0.14 0.31 1.34 0.99 0.00 0.00 0.00 175.76 178.54 1x53 s THR 90 N 0.16 3.98 -0.11 0.00 2.01 -1.14 -0.32 115.64 120.22 1x53 s THR 90 Ca -0.11 0.98 -0.00 0.00 0.31 0.00 0.00 61.69 62.87 1x53 s THR 90 Cb -0.15 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 1x53 s THR 90 CO 0.05 -0.86 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.42 1x53 s ILE 91 N 5.22 3.54 -0.31 1.82 1.09 0.85 -1.39 121.20 132.01 1x53 s ILE 91 Ca 0.57 -0.51 -0.00 0.00 -1.10 0.00 0.00 60.65 59.61 1x53 s ILE 91 Cb -0.12 -2.48 0.10 0.00 -1.06 0.00 0.00 42.46 38.90 1x53 s ILE 91 CO 0.32 0.55 0.10 -0.89 -0.10 0.00 0.00 174.94 174.92 1x53 s THR 92 N -0.18 1.00 0.67 2.92 2.01 -0.38 -0.37 115.64 121.32 1x53 s THR 92 Ca 0.02 -1.50 -0.09 0.00 0.31 0.00 0.00 61.69 60.43 1x53 s THR 92 Cb -0.13 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.65 1x53 s THR 92 CO 0.03 -0.68 1.02 -0.76 -0.69 0.00 0.00 174.62 173.54 1x53 s LEU 93 N 1.54 2.99 -0.17 4.42 1.43 0.19 -2.29 118.68 126.78 1x53 s LEU 93 Ca 0.10 0.87 -0.15 0.00 -1.03 0.00 0.00 54.13 53.92 1x53 s LEU 93 Cb -0.17 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1x53 s LEU 93 CO -0.23 -1.31 0.46 -0.89 0.23 0.00 0.00 176.35 174.60 1x53 s THR 94 N -3.22 -0.00 -0.22 5.49 2.01 -1.17 -1.34 115.64 117.18 1x53 s THR 94 Ca 0.57 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.54 1x53 s THR 94 Cb -0.11 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1x53 s THR 94 CO 0.48 0.01 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.06 1x53 s PHE 95 N 0.49 3.01 0.13 4.92 0.40 -0.83 -2.17 117.98 123.93 1x53 s PHE 95 Ca -0.02 -0.70 0.07 0.00 -0.60 0.00 0.00 56.93 55.68 1x53 s PHE 95 Cb -0.04 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 1x53 s PHE 95 CO -0.02 -0.44 -0.05 0.42 0.70 0.00 0.00 175.22 175.83 1x53 s ILE 96 N 1.43 3.60 -0.18 0.64 1.01 -1.16 -4.73 121.20 121.82 1x53 s ILE 96 Ca 0.05 -1.31 -0.11 0.00 0.00 0.00 0.00 60.65 59.29 1x53 s ILE 96 Cb -0.15 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 1x53 s ILE 96 CO -0.00 0.01 0.17 -0.62 0.00 0.00 0.00 174.94 174.50 1x53 s ASP 97 N -2.54 6.28 -0.05 3.58 2.15 -1.26 -2.87 116.67 121.96 1x53 s ASP 97 Ca 0.25 0.32 0.07 0.00 0.43 0.00 0.00 52.55 53.62 1x53 s ASP 97 Cb -0.10 -2.11 0.10 0.00 -0.30 0.00 0.00 42.92 40.51 1x53 s ASP 97 CO 0.16 0.19 0.97 0.29 -0.17 0.00 0.00 175.17 176.62 1x53 n LYS 98 N 3.34 1.33 -2.59 4.34 4.76 -0.77 -4.98 118.16 123.59 1x53 n LYS 98 Ca -0.16 -1.63 -0.07 0.00 -2.87 0.00 0.00 58.31 53.58 1x53 n LYS 98 Cb 0.52 -1.00 0.04 0.00 -1.84 0.00 0.00 35.03 32.75 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 -0.66 -2.15 0.00 4.39 5.15 -1.26 -4.41 115.26 116.32 1x53 n ASN 99 Ca 0.06 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.77 1x53 n ASN 99 Cb 0.52 -2.49 0.00 0.00 -0.53 0.00 0.00 39.78 37.27 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 -1.08 3.53 3.54 8.20 0.00 -1.26 -5.12 105.19 112.99 1x53 n GLY 100 Ca -0.12 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 1.80 -0.10 1.61 2.02 -1.26 -3.31 118.70 119.46 1x53 s GLU 101 Ca 0.00 -1.94 0.01 0.00 0.02 0.00 0.00 54.97 53.06 1x53 s GLU 101 Cb 0.00 -1.61 0.02 0.00 0.10 0.00 0.00 34.13 32.64 1x53 s GLU 101 CO 0.00 0.10 -0.12 0.99 0.02 0.00 0.00 175.26 176.25 1x53 s THR 102 N -2.69 1.24 -0.53 3.63 2.01 0.12 -1.85 115.64 117.56 1x53 s THR 102 Ca 0.32 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 1x53 s THR 102 Cb 0.04 -1.16 0.06 0.00 0.01 0.00 0.00 72.50 71.44 1x53 s THR 102 CO 0.16 0.39 0.74 -0.70 -0.69 0.00 0.00 174.62 174.52 1x53 s GLU 103 N 1.09 3.18 -0.57 4.92 2.12 -1.14 0.07 118.70 128.39 1x53 s GLU 103 Ca -0.06 -0.72 -0.25 0.00 0.36 0.00 0.00 54.97 54.30 1x53 s GLU 103 Cb -0.14 -4.10 0.04 0.00 0.26 0.00 0.00 34.13 30.19 1x53 s GLU 103 CO -0.02 -1.35 1.02 -1.17 -0.54 0.00 0.00 175.26 173.21 1x53 s LEU 104 N 3.10 3.90 -0.75 2.70 2.96 0.64 -2.98 118.68 128.26 1x53 s LEU 104 Ca 0.20 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 1x53 s LEU 104 Cb -0.17 -2.91 0.17 0.00 0.50 0.00 0.00 46.19 43.78 1x53 s LEU 104 CO 0.14 -1.32 0.76 0.00 -1.32 0.00 0.00 176.35 174.61 1x53 s MET 106 N 1.28 4.55 -0.34 0.00 1.75 0.18 -3.03 119.30 123.69 1x53 s MET 106 Ca 0.16 1.19 0.00 0.00 -1.25 0.00 0.00 55.69 55.80 1x53 s MET 106 Cb -0.15 -3.39 0.11 0.00 2.84 0.00 0.00 34.83 34.23 1x53 s MET 106 CO -0.04 0.19 0.13 -2.00 -0.65 0.00 0.00 175.02 172.65 1x53 s GLU 107 N 0.20 0.85 -0.09 4.11 2.12 -0.97 -1.10 118.70 123.82 1x53 s GLU 107 Ca 0.42 -1.30 -0.01 0.00 0.36 0.00 0.00 54.97 54.45 1x53 s GLU 107 Cb -0.21 -2.08 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 1x53 s GLU 107 CO 0.25 -1.03 -0.05 0.20 -0.54 0.00 0.00 175.26 174.09 1x53 s GLY 108 N 1.31 1.73 -0.13 -1.50 0.00 -1.13 -1.24 107.32 106.35 1x53 s GLY 108 Ca 0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 1x53 s GLY 108 CO -0.18 -0.51 0.07 1.09 0.00 0.00 0.00 173.10 173.57 1x53 s ARG 109 N -0.55 0.14 0.00 2.90 1.70 -0.49 -0.16 118.95 122.50 1x53 s ARG 109 Ca 0.08 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 1x53 s ARG 109 Cb -0.12 -1.45 0.00 0.00 -0.57 0.00 0.00 34.95 32.81 1x53 s ARG 109 CO 0.02 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.10 1x53 n GLY 110 N 5.25 0.02 3.68 3.88 0.00 -1.07 -2.87 105.19 114.08 1x53 n GLY 110 Ca -0.06 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 -0.75 4.19 -0.24 -0.61 1.09 -0.88 -4.54 121.20 119.45 1x53 s ILE 111 Ca 0.00 1.51 -0.40 0.00 -1.10 0.00 0.00 60.65 60.66 1x53 s ILE 111 Cb 0.00 -3.97 -0.16 0.00 -1.06 0.00 0.00 42.46 37.27 1x53 s ILE 111 CO 0.00 -0.02 1.70 -2.65 -0.10 0.00 0.00 174.94 173.87 1x53 n PRO 112 N 5.41 1.15 -0.26 2.79 -0.02 -1.26 0.97 135.00 143.78 1x53 n PRO 112 Ca 0.12 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 62.08 1x53 n PRO 112 Cb 0.46 -2.10 0.20 0.00 -0.02 0.00 0.00 33.50 32.04 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 6.92 1.00 -0.53 3.55 0.00 -0.75 1.03 119.26 130.49 1x53 h ALA 113 Ca -0.47 0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.75 1x53 h ALA 113 Cb 1.32 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1x53 h ALA 113 CO 0.94 -0.35 0.37 -1.35 0.00 0.00 0.00 179.25 178.86 1x53 h PRO 114 N 0.27 0.13 -0.21 0.00 0.11 -1.88 -0.76 132.00 129.65 1x53 h PRO 114 Ca 0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1x53 h PRO 114 Cb 0.77 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1x53 h PRO 114 CO -0.53 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 177.73 1x53 n GLU 115 N -4.42 2.24 -0.31 1.05 -0.58 0.64 -4.69 120.64 114.57 1x53 n GLU 115 Ca 0.09 -1.70 0.15 0.00 -0.42 0.00 0.00 57.16 55.28 1x53 n GLU 115 Cb 0.51 -1.20 0.32 0.00 -0.57 0.00 0.00 31.44 30.50 1x53 n GLU 115 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1x53 h GLU 116 N 1.60 0.12 0.10 3.49 4.81 0.25 -0.12 114.58 124.83 1x53 h GLU 116 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1x53 h GLU 116 Cb 0.60 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1x53 h GLU 116 CO 0.00 0.08 -0.05 1.49 -0.73 0.00 0.00 179.01 179.80 1x53 h GLU 117 N 0.13 -0.13 -0.70 1.92 4.81 -1.84 -3.23 114.58 115.54 1x53 h GLU 117 Ca 0.60 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.95 1x53 h GLU 117 Cb 1.27 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.56 1x53 h GLU 117 CO -0.74 -0.08 -0.25 -2.13 -0.73 0.00 0.00 179.01 175.07 1x53 n ARG 118 N -3.43 -0.14 0.01 1.92 0.63 -0.99 -0.20 116.66 114.46 1x53 n ARG 118 Ca -0.02 1.07 -0.02 0.00 -0.92 0.00 0.00 57.85 57.97 1x53 n ARG 118 Cb 0.05 -1.60 -0.01 0.00 0.45 0.00 0.00 32.46 31.35 1x53 n ARG 118 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1x53 h THR 119 N 0.00 0.00 -1.01 5.15 2.02 -1.16 0.22 112.91 118.13 1x53 h THR 119 Ca 0.26 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.68 1x53 h THR 119 Cb 0.44 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.75 1x53 h THR 119 CO -0.70 0.00 0.63 -0.09 0.37 0.00 0.00 175.52 175.74 1x53 h ARG 120 N -0.08 0.51 -0.20 6.66 2.43 -1.00 1.07 114.38 123.76 1x53 h ARG 120 Ca 0.00 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1x53 h ARG 120 Cb 0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1x53 h ARG 120 CO -0.04 0.33 -0.13 1.96 -1.51 0.00 0.00 179.97 180.58 1x53 h GLN 121 N 0.52 0.32 -0.18 0.20 4.20 0.26 -2.87 115.11 117.56 1x53 h GLN 121 Ca 0.59 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1x53 h GLN 121 Cb 1.27 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1x53 h GLN 121 CO -0.34 0.46 0.00 0.41 -0.67 0.00 0.00 178.83 178.69 1x53 n GLY 122 N -0.78 4.17 0.02 3.46 0.00 0.16 -4.42 105.19 107.81 1x53 n GLY 122 Ca -0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.72 0.17 0.10 1.61 -0.00 0.32 -4.49 117.44 114.44 1x53 n TRP 123 Ca 0.19 0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.76 1x53 n TRP 123 Cb 0.77 -0.30 0.30 0.00 -0.00 0.00 0.00 31.31 32.08 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 -0.28 0.24 -1.24 5.87 7.50 -1.82 0.34 115.11 125.72 1x53 h GLN 124 Ca 0.00 -0.08 0.36 0.00 0.50 0.00 0.00 58.65 59.43 1x53 h GLN 124 Cb 0.19 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.65 1x53 h GLN 124 CO 0.00 0.51 0.96 0.00 -1.50 0.00 0.00 178.83 178.80 1x53 h ARG 125 N 0.22 0.00 0.00 1.46 3.08 -1.80 0.37 114.38 117.71 1x53 h ARG 125 Ca 0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1x53 h ARG 125 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1x53 h ARG 125 CO 0.04 0.00 -1.38 0.66 -1.07 0.00 0.00 179.97 178.22 1x53 n TYR 126 N -3.98 0.00 0.15 3.04 4.01 -1.06 -2.83 117.16 116.48 1x53 n TYR 126 Ca 0.27 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.94 1x53 n TYR 126 Cb 1.36 -0.26 -0.03 0.00 -0.31 0.00 0.00 39.34 40.10 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 -0.05 -0.45 0.00 -0.72 -1.99 -0.55 -3.20 116.97 110.02 1x53 h TYR 127 Ca -0.15 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1x53 h TYR 127 Cb 1.22 0.16 0.00 0.00 2.00 0.00 0.00 36.73 40.11 1x53 h TYR 127 CO 0.00 -0.25 0.00 1.19 -0.00 0.00 0.00 178.16 179.10 1x53 n PHE 128 N -3.29 0.00 -0.20 4.88 3.72 -0.41 -3.73 117.46 118.43 1x53 n PHE 128 Ca -0.05 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.51 1x53 n PHE 128 Cb 0.17 -0.16 0.29 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.31 -0.04 0.03 -1.08 -0.58 0.12 -0.31 120.64 116.47 1x53 n GLU 129 Ca 0.00 0.85 -0.01 0.00 -0.42 0.00 0.00 57.16 57.58 1x53 n GLU 129 Cb 0.00 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.41 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 -0.08 -0.29 0.62 0.00 -1.51 -3.04 103.07 98.77 1x53 h GLY 130 Ca 0.46 0.03 0.23 0.00 0.00 0.00 0.00 47.33 48.05 1x53 h GLY 130 CO -0.49 -0.03 0.37 -2.22 0.00 0.00 0.00 176.54 174.17 1x53 h ILE 131 N -0.11 0.42 -0.68 2.60 2.04 -1.01 0.78 117.51 121.55 1x53 h ILE 131 Ca -0.01 -0.12 0.19 0.00 1.00 0.00 0.00 64.86 65.92 1x53 h ILE 131 Cb 0.06 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1x53 h ILE 131 CO 0.01 0.06 0.48 0.11 0.00 0.00 0.00 178.15 178.82 1x53 h LYS 132 N 0.34 0.08 0.00 2.37 1.57 -0.73 0.19 116.57 120.40 1x53 h LYS 132 Ca 0.57 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.22 1x53 h LYS 132 Cb 1.13 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1x53 h LYS 132 CO -0.57 0.05 -1.20 1.04 -0.57 0.00 0.00 179.45 178.20 1x53 n GLN 133 N -4.37 0.52 0.17 3.15 1.13 0.23 -1.77 117.38 116.45 1x53 n GLN 133 Ca 0.13 0.37 -0.17 0.00 -1.94 0.00 0.00 57.00 55.40 1x53 n GLN 133 Cb 0.70 -1.57 -0.10 0.00 0.11 0.00 0.00 30.24 29.38 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 0.00 0.00 5.09 2.02 -0.26 -2.79 112.91 115.96 1x53 h THR 134 Ca -0.20 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1x53 h THR 134 Cb 1.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1x53 h THR 134 CO -0.12 0.00 -0.62 -0.26 0.37 0.00 0.00 175.52 174.89 1x53 h PHE 135 N -0.84 0.00 -0.18 3.16 -1.00 -0.87 -3.48 116.94 113.73 1x53 h PHE 135 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1x53 h PHE 135 Cb 0.79 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.35 1x53 h PHE 135 CO -0.39 0.52 0.00 0.41 -1.61 0.00 0.00 178.31 177.25 1x53 n GLY 136 N 1.25 0.90 1.87 -1.45 0.00 -0.60 -4.97 105.19 102.19 1x53 n GLY 136 Ca 0.01 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.72 2.18 -4.23 1.61 4.01 -0.73 -4.82 117.16 112.46 1x53 n TYR 137 Ca 0.00 -1.48 -0.25 0.00 -0.16 0.00 0.00 57.90 56.02 1x53 n TYR 137 Cb 0.35 -0.75 -0.07 0.00 -0.31 0.00 0.00 39.34 38.55 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 -0.63 1.66 -0.12 2.72 0.00 -1.00 -1.80 107.32 108.16 1x53 s GLY 138 Ca 0.40 -1.48 -0.15 0.00 0.00 0.00 0.00 44.72 43.49 1x53 s GLY 138 CO 0.08 -1.52 0.48 0.00 0.00 0.00 0.00 173.10 172.13 1x53 h ALA 139 N 2.26 0.23 -5.01 3.20 0.00 -1.90 -3.45 119.26 114.59 1x53 h ALA 139 Ca -0.46 -1.16 -0.30 0.00 0.00 0.00 0.00 54.91 52.99 1x53 h ALA 139 Cb 1.22 0.55 0.13 0.00 0.00 0.00 0.00 17.79 19.70 1x53 h ALA 139 CO 0.59 0.90 -0.61 0.45 0.00 0.00 0.00 179.25 180.58 1x53 n SER 140 N -3.91 -3.54 -0.72 0.00 2.88 -1.26 -5.03 113.62 102.04 1x53 n SER 140 Ca -0.27 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1x53 n SER 140 Cb 0.90 -4.30 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 1x53 n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x53 n GLY 141 N -1.38 1.62 3.17 0.46 0.00 -1.26 -5.06 105.19 102.75 1x53 n GLY 141 Ca -0.14 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1x53 n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x53 n PRO 142 N 0.00 -0.25 -3.74 1.61 -0.02 -1.26 -4.98 135.00 126.35 1x53 n PRO 142 Ca 0.00 -0.06 -0.30 0.00 -2.02 0.00 0.00 63.50 61.13 1x53 n PRO 142 Cb 0.00 -1.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.43 3.85 -0.38 2.55 0.01 -1.26 -5.09 113.70 111.95 1x53 s SER 143 Ca 0.47 -2.33 -0.43 0.00 1.31 0.00 0.00 55.95 54.97 1x53 s SER 143 Cb -0.15 -1.04 -0.17 0.00 0.21 0.00 0.00 66.02 64.86 1x53 s SER 143 CO 0.74 -0.32 1.72 -1.54 0.41 0.00 0.00 173.24 174.26 1x53 n SER 144 N 3.95 1.85 -0.22 2.44 3.41 -1.26 -5.33 113.62 118.46 1x53 n SER 144 Ca 0.05 1.08 0.03 0.00 -0.26 0.00 0.00 58.87 59.77 1x53 n SER 144 Cb 0.37 -1.03 0.02 0.00 -0.26 0.00 0.00 64.21 63.31 1x53 n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49