#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 1.99 -4.72 1.61 2.88 -1.26 -5.04 113.62 109.08 1x53 n SER 2 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.20 1x53 n SER 2 Cb 0.00 -0.03 -0.09 0.00 -0.75 0.00 0.00 64.21 63.34 1x53 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x53 s SER 3 N -4.62 5.42 0.00 -3.46 0.01 -1.26 -5.10 113.70 104.69 1x53 s SER 3 Ca -0.02 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1x53 s SER 3 Cb 0.01 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.68 1x53 s SER 3 CO 0.03 0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.65 1x53 n GLY 4 N 2.00 5.55 0.26 3.44 0.00 -1.26 -5.04 105.19 110.14 1x53 n GLY 4 Ca -0.18 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 1x53 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x53 h SER 5 N 0.00 0.84 -4.24 1.61 0.87 -2.07 -3.44 113.55 107.12 1x53 h SER 5 Ca 0.00 -0.26 -0.52 0.00 -1.23 0.00 0.00 61.79 59.78 1x53 h SER 5 Cb 0.00 -0.22 0.19 0.00 -0.44 0.00 0.00 62.40 61.93 1x53 h SER 5 CO 0.00 0.89 0.23 -0.94 -0.53 0.00 0.00 176.83 176.48 1x53 s SER 6 N -6.28 3.01 1.39 6.23 1.04 -1.26 -5.00 113.70 112.84 1x53 s SER 6 Ca -0.13 2.13 -0.22 0.00 0.48 0.00 0.00 55.95 58.22 1x53 s SER 6 Cb 0.12 -2.55 0.33 0.00 0.10 0.00 0.00 66.02 64.02 1x53 s SER 6 CO 0.81 -3.04 0.86 0.61 0.98 0.00 0.00 173.24 173.46 1x53 n GLY 7 N 0.08 -3.61 3.84 7.32 0.00 -1.26 -5.01 105.19 106.55 1x53 n GLY 7 Ca 0.11 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 1x53 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 8 N -2.25 5.36 0.47 -0.61 1.01 -1.26 -4.87 121.20 119.05 1x53 s ILE 8 Ca 0.63 0.41 -0.19 0.00 0.00 0.00 0.00 60.65 61.49 1x53 s ILE 8 Cb -0.10 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 1x53 s ILE 8 CO 0.51 0.57 0.98 -2.16 0.00 0.00 0.00 174.94 174.84 1x53 s PRO 9 N -0.77 4.04 0.33 2.79 0.04 -1.26 -4.97 135.00 135.20 1x53 s PRO 9 Ca 0.17 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.35 1x53 s PRO 9 Cb -0.13 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1x53 s PRO 9 CO 0.06 -0.20 0.37 0.95 0.04 0.00 0.00 177.00 178.22 1x53 s THR 10 N -2.27 0.00 0.31 1.26 -4.23 -1.26 -0.21 115.64 109.24 1x53 s THR 10 Ca 0.62 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 59.26 1x53 s THR 10 Cb -0.11 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.19 1x53 s THR 10 CO 0.20 0.00 0.55 0.00 -0.54 0.00 0.00 174.62 174.83 1x53 s LYS 12 N -2.34 2.98 -0.61 0.00 2.20 -1.26 -2.16 119.74 118.56 1x53 s LYS 12 Ca 0.18 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.33 1x53 s LYS 12 Cb -0.03 -2.80 0.22 0.00 -1.51 0.00 0.00 37.83 33.71 1x53 s LYS 12 CO 0.13 0.64 0.61 -0.89 -0.36 0.00 0.00 175.35 175.48 1x53 n ILE 13 N 1.28 1.44 -2.83 5.43 2.08 0.92 -4.97 119.36 122.70 1x53 n ILE 13 Ca -0.14 -4.81 -0.43 0.00 0.56 0.00 0.00 62.75 57.94 1x53 n ILE 13 Cb 0.53 -2.07 -0.04 0.00 -0.75 0.00 0.00 39.64 37.31 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 -1.79 4.56 -0.09 1.39 2.01 -1.26 -2.98 115.64 117.48 1x53 s THR 14 Ca 0.34 0.97 0.04 0.00 0.31 0.00 0.00 61.69 63.35 1x53 s THR 14 Cb 0.09 -4.36 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 1x53 s THR 14 CO -0.09 -0.64 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.20 1x53 s LEU 15 N 3.53 2.10 -0.32 4.42 1.43 -0.58 -4.98 118.68 124.28 1x53 s LEU 15 Ca 0.37 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1x53 s LEU 15 Cb -0.11 -1.41 0.09 0.00 0.03 0.00 0.00 46.19 44.79 1x53 s LEU 15 CO 0.22 0.18 0.02 -0.54 0.23 0.00 0.00 176.35 176.45 1x53 s LYS 16 N 0.24 1.57 -0.04 1.70 3.01 -1.26 -0.20 119.74 124.77 1x53 s LYS 16 Ca -0.16 -1.73 0.05 0.00 -1.01 0.00 0.00 55.97 53.12 1x53 s LYS 16 Cb -0.17 -3.08 -0.01 0.00 -1.01 0.00 0.00 37.83 33.56 1x53 s LYS 16 CO 0.08 -0.87 -0.19 -2.00 0.51 0.00 0.00 175.35 172.88 1x53 s GLU 17 N 0.98 1.85 0.21 1.68 2.56 -0.94 -4.98 118.70 120.06 1x53 s GLU 17 Ca 0.07 -0.68 -0.09 0.00 0.00 0.00 0.00 54.97 54.28 1x53 s GLU 17 Cb -0.19 -1.64 -0.07 0.00 2.00 0.00 0.00 34.13 34.23 1x53 s GLU 17 CO -0.08 0.31 0.52 0.99 -0.56 0.00 0.00 175.26 176.43 1x53 s THR 18 N -0.12 4.98 0.01 -1.70 2.01 -1.26 -1.02 115.64 118.54 1x53 s THR 18 Ca -0.01 0.37 0.07 0.00 0.31 0.00 0.00 61.69 62.43 1x53 s THR 18 Cb -0.11 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1x53 s THR 18 CO 0.02 -0.06 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.31 1x53 s PHE 19 N -1.80 1.89 -0.02 4.92 0.40 0.20 -4.83 117.98 118.75 1x53 s PHE 19 Ca 0.46 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1x53 s PHE 19 Cb -0.11 -1.18 0.01 0.00 0.51 0.00 0.00 43.02 42.25 1x53 s PHE 19 CO 0.22 0.03 1.92 1.28 0.70 0.00 0.00 175.22 179.36 1x53 n LEU 20 N 2.24 5.21 -4.00 -0.37 7.99 0.79 0.12 117.00 128.98 1x53 n LEU 20 Ca -0.16 -2.38 -0.10 0.00 -0.01 0.00 0.00 56.01 53.36 1x53 n LEU 20 Cb 0.53 -1.07 -0.08 0.00 -0.11 0.00 0.00 43.42 42.69 1x53 n LEU 20 CO 0.23 0.98 -0.07 0.28 -1.51 0.00 0.00 177.39 177.30 1x53 s THR 21 N -0.13 0.07 0.49 -5.08 -1.32 -1.23 -4.84 115.64 103.60 1x53 s THR 21 Ca 0.02 -1.49 -0.18 0.00 -1.21 0.00 0.00 61.69 58.82 1x53 s THR 21 Cb 0.01 -1.89 -0.09 0.00 -1.51 0.00 0.00 72.50 69.03 1x53 s THR 21 CO 0.00 -0.32 0.98 -0.44 -2.21 0.00 0.00 174.62 172.63 1x53 s SER 22 N -2.99 6.64 0.11 8.08 0.01 -1.26 -1.95 113.70 122.34 1x53 s SER 22 Ca 0.19 1.64 -0.31 0.00 1.31 0.00 0.00 55.95 58.78 1x53 s SER 22 Cb 0.04 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.63 1x53 s SER 22 CO 0.01 -0.57 1.51 -0.65 0.41 0.00 0.00 173.24 173.94 1x53 h PRO 23 N 1.22 -0.48 -1.11 12.44 0.11 -1.87 -0.51 132.00 141.79 1x53 h PRO 23 Ca -0.48 0.03 0.41 0.00 0.11 0.00 0.00 66.00 66.08 1x53 h PRO 23 Cb 1.19 0.11 -0.16 0.00 0.11 0.00 0.00 31.00 32.25 1x53 h PRO 23 CO 0.61 -0.32 0.65 1.05 -0.21 0.00 0.00 178.00 179.78 1x53 h GLU 24 N -0.50 0.07 0.04 1.05 4.11 -1.94 0.44 114.58 117.85 1x53 h GLU 24 Ca 0.04 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1x53 h GLU 24 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1x53 h GLU 24 CO -0.43 0.05 -0.02 1.49 0.07 0.00 0.00 179.01 180.17 1x53 h GLU 25 N 0.08 -0.05 -0.18 1.06 4.57 -1.48 -3.01 114.58 115.57 1x53 h GLU 25 Ca 0.83 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 59.06 1x53 h GLU 25 Cb 2.29 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.88 1x53 h GLU 25 CO -0.63 -0.03 0.29 1.25 -1.18 0.00 0.00 179.01 178.71 1x53 h LEU 26 N -0.06 0.00 -1.85 1.64 5.85 -0.98 0.14 115.31 120.05 1x53 h LEU 26 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1x53 h LEU 26 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1x53 h LEU 26 CO 0.01 0.00 0.00 0.22 -0.34 0.00 0.00 178.44 178.33 1x53 h TYR 27 N 0.00 0.00 0.00 1.25 3.20 -0.03 -2.92 116.97 118.47 1x53 h TYR 27 Ca 0.09 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.74 1x53 h TYR 27 Cb 0.67 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1x53 h TYR 27 CO 0.00 0.00 -1.49 0.54 -1.64 0.00 0.00 178.16 175.57 1x53 n ARG 28 N -2.53 0.54 0.11 1.82 1.74 0.48 -3.15 116.66 115.68 1x53 n ARG 28 Ca -0.02 0.38 0.15 0.00 -0.77 0.00 0.00 57.85 57.59 1x53 n ARG 28 Cb 0.07 -1.58 0.38 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.05 0.00 1.55 2.07 -1.54 2.08 116.25 119.46 1x53 h VAL 29 Ca -0.32 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 1x53 h VAL 29 Cb 1.19 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1x53 h VAL 29 CO -0.20 0.00 -2.03 0.49 0.02 0.00 0.00 177.57 175.85 1x53 n PHE 30 N -2.99 0.00 -1.05 1.57 3.01 -1.14 -4.03 117.46 112.84 1x53 n PHE 30 Ca 0.09 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.62 1x53 n PHE 30 Cb 1.04 -0.63 0.24 0.00 -0.01 0.00 0.00 39.48 40.13 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 -2.38 2.27 -3.65 4.37 -2.24 0.58 -4.89 114.28 108.35 1x53 n THR 31 Ca -0.14 -2.00 -0.28 0.00 -2.27 0.00 0.00 64.05 59.36 1x53 n THR 31 Cb 0.74 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.88 0.28 0.07 4.28 2.01 0.54 -4.36 115.64 115.58 1x53 s THR 32 Ca 0.41 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 1x53 s THR 32 Cb 0.34 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1x53 s THR 32 CO 0.07 -0.47 1.26 -0.61 -0.69 0.00 0.00 174.62 174.18 1x53 h GLN 33 N 8.30 -0.06 -0.70 4.92 4.15 -1.86 -1.13 115.11 128.75 1x53 h GLN 33 Ca -0.17 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.32 1x53 h GLN 33 Cb 1.07 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.69 1x53 h GLN 33 CO 0.38 -0.04 -0.41 -1.91 -1.93 0.00 0.00 178.83 174.92 1x53 n GLU 34 N -4.03 -0.31 -0.37 1.69 4.07 -1.26 0.14 120.64 120.57 1x53 n GLU 34 Ca 0.00 1.33 0.31 0.00 -0.06 0.00 0.00 57.16 58.74 1x53 n GLU 34 Cb 0.14 -1.97 0.62 0.00 -0.06 0.00 0.00 31.44 30.17 1x53 n GLU 34 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1x53 h LEU 35 N 0.00 0.25 -0.09 4.31 3.38 -1.67 0.18 115.31 121.68 1x53 h LEU 35 Ca 0.11 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1x53 h LEU 35 Cb 0.29 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1x53 h LEU 35 CO -0.65 -0.00 -0.11 0.58 0.09 0.00 0.00 178.44 178.35 1x53 h VAL 36 N 0.20 1.38 0.00 1.22 2.07 0.24 -2.82 116.25 118.54 1x53 h VAL 36 Ca 0.65 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1x53 h VAL 36 Cb 2.06 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1x53 h VAL 36 CO -0.23 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1x53 n GLN 37 N -4.65 0.16 -0.10 1.57 6.02 0.58 -1.08 117.38 119.89 1x53 n GLN 37 Ca -0.07 0.13 -0.21 0.00 -0.01 0.00 0.00 57.00 56.84 1x53 n GLN 37 Cb 0.34 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.99 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 2.41 0.24 -0.00 -1.58 0.00 -1.13 -2.68 119.26 116.52 1x53 h ALA 38 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1x53 h ALA 38 Cb 0.04 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1x53 h ALA 38 CO 0.00 0.66 -0.21 1.97 0.00 0.00 0.00 179.25 181.67 1x53 n PHE 39 N -4.45 0.00 0.09 0.00 1.16 -1.03 -3.60 117.46 109.63 1x53 n PHE 39 Ca -0.30 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.35 1x53 n PHE 39 Cb 0.66 -0.28 -0.11 0.00 -1.61 0.00 0.00 39.48 38.14 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 -1.23 0.00 -4.18 1.97 -2.24 -0.24 -4.66 114.28 103.70 1x53 n THR 40 Ca 0.10 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.21 1x53 n THR 40 Cb 0.32 0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.92 -1.42 -3.74 4.78 8.25 -1.01 -4.80 115.22 115.37 1x53 n HIS 41 Ca -0.02 0.62 -0.13 0.00 -0.26 0.00 0.00 57.72 57.93 1x53 n HIS 41 Cb 0.36 -2.06 -0.08 0.00 1.12 0.00 0.00 29.99 29.33 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 -3.10 -0.82 -0.90 -1.41 0.00 -1.26 -4.98 121.76 109.30 1x53 s ALA 42 Ca 0.70 0.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 1x53 s ALA 42 Cb -0.40 0.17 -0.24 0.00 0.00 0.00 0.00 23.12 22.65 1x53 s ALA 42 CO 0.86 -0.33 2.32 -2.30 0.00 0.00 0.00 175.76 176.31 1x53 n PRO 43 N 0.97 0.26 -4.86 0.00 -0.02 -1.26 -4.48 135.00 125.61 1x53 n PRO 43 Ca -0.20 -0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 60.67 1x53 n PRO 43 Cb 0.57 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.82 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 6.71 2.69 -0.33 3.55 0.00 -1.26 -2.91 121.76 130.20 1x53 s ALA 44 Ca 1.17 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1x53 s ALA 44 Cb -0.61 -0.97 0.10 0.00 0.00 0.00 0.00 23.12 21.64 1x53 s ALA 44 CO 0.38 0.56 0.09 0.99 0.00 0.00 0.00 175.76 177.78 1x53 s THR 45 N -0.75 1.37 -0.05 0.00 2.01 0.23 -4.81 115.64 113.63 1x53 s THR 45 Ca 0.12 -1.77 -0.01 0.00 0.31 0.00 0.00 61.69 60.33 1x53 s THR 45 Cb -0.11 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1x53 s THR 45 CO 0.01 -0.66 0.02 -0.22 -0.69 0.00 0.00 174.62 173.07 1x53 s LEU 46 N 1.31 3.64 -0.35 4.42 0.20 -1.26 -0.07 118.68 126.58 1x53 s LEU 46 Ca 0.11 0.12 -0.00 0.00 0.69 0.00 0.00 54.13 55.04 1x53 s LEU 46 Cb -0.18 -1.94 0.11 0.00 -0.43 0.00 0.00 46.19 43.75 1x53 s LEU 46 CO -0.18 0.34 0.15 -1.61 -0.29 0.00 0.00 176.35 174.76 1x53 s GLU 47 N -1.18 0.76 -0.60 1.98 0.41 -1.08 -4.18 118.70 114.80 1x53 s GLU 47 Ca 0.16 -1.27 -0.26 0.00 -0.41 0.00 0.00 54.97 53.19 1x53 s GLU 47 Cb -0.11 -1.86 -0.08 0.00 -1.78 0.00 0.00 34.13 30.29 1x53 s GLU 47 CO 0.06 -1.07 2.34 0.00 -0.49 0.00 0.00 175.26 176.10 1x53 s ALA 48 N 1.29 1.40 -0.25 5.21 0.00 -1.26 -4.30 121.76 123.85 1x53 s ALA 48 Ca 0.13 -0.34 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 1x53 s ALA 48 Cb -0.20 -4.42 0.17 0.00 0.00 0.00 0.00 23.12 18.67 1x53 s ALA 48 CO -0.16 -4.86 1.24 0.34 0.00 0.00 0.00 175.76 172.33 1x53 s ASP 49 N 11.31 -0.17 -0.60 0.00 2.15 -1.26 -5.01 116.67 123.09 1x53 s ASP 49 Ca 0.92 0.24 -0.26 0.00 0.43 0.00 0.00 52.55 53.88 1x53 s ASP 49 Cb -0.15 0.21 -0.09 0.00 -0.30 0.00 0.00 42.92 42.59 1x53 s ASP 49 CO 0.19 -0.13 2.38 -0.13 -0.17 0.00 0.00 175.17 177.32 1x53 s ARG 50 N -0.71 1.95 0.00 4.34 0.52 -1.26 -0.30 118.95 123.49 1x53 s ARG 50 Ca 0.05 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.30 1x53 s ARG 50 Cb -0.02 -4.65 0.00 0.00 0.52 0.00 0.00 34.95 30.80 1x53 s ARG 50 CO -0.07 -3.67 0.00 0.41 0.02 0.00 0.00 175.30 172.00 1x53 n GLY 51 N 6.28 0.77 3.25 -3.53 0.00 0.48 -4.96 105.19 107.48 1x53 n GLY 51 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 1x53 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x53 n GLY 52 N -0.96 -3.50 3.22 -0.02 0.00 0.59 -4.36 105.19 100.15 1x53 n GLY 52 Ca 0.00 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1x53 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x53 s LYS 53 N -4.82 2.75 -0.19 1.61 3.01 -1.26 -1.85 119.74 118.99 1x53 s LYS 53 Ca 0.66 -0.84 0.01 0.00 -1.01 0.00 0.00 55.97 54.79 1x53 s LYS 53 Cb -0.14 -2.16 0.03 0.00 -1.01 0.00 0.00 37.83 34.54 1x53 s LYS 53 CO 0.57 0.23 -0.18 -0.59 0.51 0.00 0.00 175.35 175.89 1x53 s PHE 54 N 0.20 2.77 -0.04 3.18 -0.12 -1.19 -2.65 117.98 120.14 1x53 s PHE 54 Ca -0.14 -1.69 0.06 0.00 -0.05 0.00 0.00 56.93 55.12 1x53 s PHE 54 Cb -0.16 -1.88 -0.02 0.00 -0.63 0.00 0.00 43.02 40.33 1x53 s PHE 54 CO 0.07 -0.80 -0.24 -1.58 -0.05 0.00 0.00 175.22 172.61 1x53 s HIS 55 N 1.29 2.43 0.33 3.49 2.46 0.90 -2.19 115.29 123.99 1x53 s HIS 55 Ca 0.03 -0.58 -0.03 0.00 0.47 0.00 0.00 55.06 54.96 1x53 s HIS 55 Cb -0.14 -1.57 -0.00 0.00 -0.13 0.00 0.00 32.58 30.74 1x53 s HIS 55 CO -0.12 -0.12 0.44 0.00 -2.47 0.00 0.00 174.74 172.47 1x53 s MET 56 N -0.36 1.83 -1.14 2.88 0.23 0.61 0.76 119.30 124.10 1x53 s MET 56 Ca 0.02 -1.73 -0.06 0.00 -1.03 0.00 0.00 55.69 52.90 1x53 s MET 56 Cb -0.12 0.43 0.01 0.00 -1.53 0.00 0.00 34.83 33.61 1x53 s MET 56 CO 0.02 -0.74 0.75 0.28 -2.03 0.00 0.00 175.02 173.29 1x53 n VAL 57 N -0.54 -2.05 -3.23 5.16 0.31 -1.26 -1.22 118.33 115.51 1x53 n VAL 57 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.18 1x53 n VAL 57 Cb 0.62 -3.27 0.06 0.00 -0.91 0.00 0.00 33.84 30.34 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 -1.88 -4.61 -1.13 4.52 -0.08 -1.25 -2.73 116.55 109.40 1x53 n ASP 58 Ca -0.03 -0.39 -0.10 0.00 -1.51 0.00 0.00 54.79 52.76 1x53 n ASP 58 Cb 0.57 -3.72 -0.00 0.00 2.34 0.00 0.00 41.12 40.31 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 -1.49 -0.02 0.04 0.27 0.00 -1.08 -4.88 105.19 98.02 1x53 n GLY 59 Ca -0.03 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.54 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 0.13 0.48 -3.92 1.61 3.02 -0.54 -4.77 115.26 111.27 1x53 n ASN 60 Ca -0.11 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.15 1x53 n ASN 60 Cb 0.59 1.54 -0.16 0.00 -0.61 0.00 0.00 39.78 41.13 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 -3.02 1.23 0.48 2.41 1.01 -0.36 0.11 120.40 122.27 1x53 s VAL 61 Ca -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1x53 s VAL 61 Cb 0.10 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1x53 s VAL 61 CO 0.80 0.18 0.02 -0.94 0.00 0.00 0.00 175.10 175.15 1x53 s SER 62 N 1.59 3.93 0.00 3.32 1.04 -1.14 -0.29 113.70 122.15 1x53 s SER 62 Ca 0.01 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.83 1x53 s SER 62 Cb -0.15 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1x53 s SER 62 CO -0.08 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1x53 n GLY 63 N -1.17 -1.13 3.18 7.32 0.00 -0.93 -2.87 105.19 109.59 1x53 n GLY 63 Ca -0.15 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.10 0.35 -0.09 1.61 -1.05 -1.23 -3.14 118.70 115.05 1x53 s GLU 64 Ca 0.00 0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.97 1x53 s GLU 64 Cb 0.00 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.82 1x53 s GLU 64 CO 0.00 -0.05 0.98 -0.06 0.95 0.00 0.00 175.26 177.07 1x53 s PHE 65 N 0.26 3.54 -0.16 4.83 0.40 -0.77 -0.65 117.98 125.43 1x53 s PHE 65 Ca -0.01 1.58 0.05 0.00 -0.60 0.00 0.00 56.93 57.95 1x53 s PHE 65 Cb -0.03 -3.14 -0.13 0.00 0.51 0.00 0.00 43.02 40.23 1x53 s PHE 65 CO -0.00 -0.17 -0.09 0.25 0.70 0.00 0.00 175.22 175.91 1x53 n THR 66 N 4.39 0.97 -3.90 0.64 -2.24 0.11 0.18 114.28 114.42 1x53 n THR 66 Ca 0.07 -0.44 -0.11 0.00 -2.27 0.00 0.00 64.05 61.31 1x53 n THR 66 Cb 0.49 -0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 67.64 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 -5.35 0.06 -0.23 3.42 2.15 -0.67 -4.78 116.67 111.27 1x53 s ASP 67 Ca -0.18 -0.14 -0.04 0.00 0.43 0.00 0.00 52.55 52.63 1x53 s ASP 67 Cb 0.05 0.10 0.10 0.00 -0.30 0.00 0.00 42.92 42.87 1x53 s ASP 67 CO 0.45 -0.14 0.20 -0.76 -0.17 0.00 0.00 175.17 174.74 1x53 s LEU 68 N -0.60 0.03 -0.09 -1.34 1.43 -1.26 -1.91 118.68 114.93 1x53 s LEU 68 Ca -0.07 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1x53 s LEU 68 Cb -0.04 0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.36 1x53 s LEU 68 CO -0.00 -0.36 -0.03 -0.69 0.23 0.00 0.00 176.35 175.50 1x53 s VAL 69 N 2.27 4.04 -0.37 -1.59 1.01 -0.89 -5.04 120.40 119.83 1x53 s VAL 69 Ca 0.07 -0.35 -0.38 0.00 0.00 0.00 0.00 61.98 61.32 1x53 s VAL 69 Cb -0.15 -2.69 -0.14 0.00 0.00 0.00 0.00 36.38 33.40 1x53 s VAL 69 CO -0.19 0.59 2.09 -2.65 0.00 0.00 0.00 175.10 174.94 1x53 n PRO 70 N 2.32 0.86 -3.40 2.72 -0.02 -1.26 -2.20 135.00 134.02 1x53 n PRO 70 Ca -0.18 0.25 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 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 7.48 -0.96 0.09 -0.52 1.02 -1.26 -4.67 120.64 121.81 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 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 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 -2.79 0.00 -3.56 3.49 5.02 -0.94 -4.85 118.16 114.54 1x53 n LYS 72 Ca -0.15 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.04 1x53 n LYS 72 Cb 0.35 -0.32 -0.02 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.39 -0.04 2.13 -3.43 -1.24 -1.96 115.29 108.37 1x53 s HIS 73 Ca 0.00 0.14 -0.01 0.00 -0.80 0.00 0.00 55.06 54.38 1x53 s HIS 73 Cb 0.00 0.59 0.03 0.00 -1.43 0.00 0.00 32.58 31.77 1x53 s HIS 73 CO 0.00 -0.85 0.06 0.42 -2.00 0.00 0.00 174.74 172.37 1x53 s ILE 74 N -3.59 -0.10 -0.18 -5.38 1.01 0.05 -2.09 121.20 110.91 1x53 s ILE 74 Ca 0.05 0.32 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 1x53 s ILE 74 Cb -0.02 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.31 1x53 s ILE 74 CO -0.07 0.13 -0.13 -0.69 0.00 0.00 0.00 174.94 174.18 1x53 s VAL 75 N 1.65 2.72 0.28 2.92 1.01 -0.80 0.25 120.40 128.42 1x53 s VAL 75 Ca -0.02 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1x53 s VAL 75 Cb -0.12 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1x53 s VAL 75 CO -0.04 0.49 0.49 0.00 0.00 0.00 0.00 175.10 176.05 1x53 s MET 76 N 1.14 1.69 0.23 2.72 0.23 0.33 0.05 119.30 125.68 1x53 s MET 76 Ca 0.01 -1.42 -0.08 0.00 -1.03 0.00 0.00 55.69 53.18 1x53 s MET 76 Cb -0.14 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 33.56 1x53 s MET 76 CO -0.05 -0.71 0.52 0.15 -2.03 0.00 0.00 175.02 172.91 1x53 s LYS 77 N -3.63 3.73 -0.01 3.16 1.02 0.18 -0.27 119.74 123.92 1x53 s LYS 77 Ca 0.25 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.39 1x53 s LYS 77 Cb -0.01 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1x53 s LYS 77 CO 0.12 0.32 -0.03 -0.46 -0.92 0.00 0.00 175.35 174.38 1x53 s TRP 78 N -1.86 0.33 0.10 3.18 -0.00 0.11 -3.58 118.94 117.22 1x53 s TRP 78 Ca 0.45 -0.05 -0.26 0.00 -0.00 0.00 0.00 56.10 56.24 1x53 s TRP 78 Cb -0.11 -0.26 0.08 0.00 -0.00 0.00 0.00 33.47 33.17 1x53 s TRP 78 CO 0.24 -0.04 0.94 -0.98 -0.00 0.00 0.00 176.95 177.12 1x53 s ARG 79 N 0.17 1.05 0.37 5.86 1.70 -1.14 -0.08 118.95 126.88 1x53 s ARG 79 Ca -0.01 -0.53 0.07 0.00 -0.47 0.00 0.00 55.73 54.79 1x53 s ARG 79 Cb -0.04 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1x53 s ARG 79 CO -0.00 -0.48 0.44 -0.06 -1.08 0.00 0.00 175.30 174.12 1x53 s PHE 80 N -3.21 2.94 -1.34 5.89 0.08 -1.26 -2.88 117.98 118.20 1x53 s PHE 80 Ca 0.10 -0.32 0.26 0.00 0.12 0.00 0.00 56.93 57.09 1x53 s PHE 80 Cb -0.01 -2.06 1.28 0.00 -0.57 0.00 0.00 43.02 41.65 1x53 s PHE 80 CO -0.02 -0.08 1.88 1.17 -0.10 0.00 0.00 175.22 178.07 1x53 n LYS 81 N -1.62 0.29 -0.01 0.44 0.00 0.31 -2.99 118.16 114.58 1x53 n LYS 81 Ca 0.02 0.04 0.06 0.00 0.00 0.00 0.00 58.31 58.43 1x53 n LYS 81 Cb 0.59 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 34.02 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 -1.33 2.12 -4.38 3.14 2.88 -1.26 -5.03 113.62 109.77 1x53 n SER 82 Ca 0.11 -0.01 -0.34 0.00 -1.33 0.00 0.00 58.87 57.30 1x53 n SER 82 Cb 0.23 1.57 0.10 0.00 -0.75 0.00 0.00 64.21 65.35 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 -1.93 -1.74 -0.56 0.66 7.02 -1.16 -4.93 117.44 114.79 1x53 n TRP 83 Ca -0.02 0.23 -0.25 0.00 -1.02 0.00 0.00 57.50 56.44 1x53 n TRP 83 Cb 0.33 -1.78 0.17 0.00 -2.42 0.00 0.00 31.31 27.61 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 -0.92 -2.23 -2.59 -0.99 -0.02 -1.26 -4.91 135.00 122.09 1x53 n PRO 84 Ca 0.07 -0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 60.48 1x53 n PRO 84 Cb 0.53 -1.61 -0.04 0.00 -0.02 0.00 0.00 33.50 32.36 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 -3.60 4.58 -1.31 -0.52 2.12 -1.26 -3.75 118.70 114.97 1x53 s GLU 85 Ca 0.48 1.61 -0.01 0.00 0.36 0.00 0.00 54.97 57.40 1x53 s GLU 85 Cb -0.09 -3.35 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 1x53 s GLU 85 CO 0.50 0.03 0.66 0.41 -0.54 0.00 0.00 175.26 176.32 1x53 n GLY 86 N 2.47 -0.33 2.75 -1.50 0.00 -1.26 -4.97 105.19 102.35 1x53 n GLY 86 Ca 0.04 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.70 1.82 0.37 1.61 2.46 -1.25 -5.12 115.29 111.49 1x53 s HIS 87 Ca 0.03 -1.80 0.08 0.00 0.47 0.00 0.00 55.06 53.85 1x53 s HIS 87 Cb -0.01 -1.77 -0.07 0.00 -0.13 0.00 0.00 32.58 30.60 1x53 s HIS 87 CO 0.82 -0.88 -0.02 -0.06 -2.47 0.00 0.00 174.74 172.13 1x53 s PHE 88 N 1.58 2.48 -0.05 3.88 0.40 -1.26 -4.78 117.98 120.23 1x53 s PHE 88 Ca 0.10 -0.57 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1x53 s PHE 88 Cb -0.17 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 1x53 s PHE 88 CO -0.24 0.49 -0.23 0.00 0.70 0.00 0.00 175.22 175.95 1x53 s ALA 89 N -2.64 1.95 -0.42 5.36 0.00 0.89 -4.81 121.76 122.09 1x53 s ALA 89 Ca 0.34 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1x53 s ALA 89 Cb 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1x53 s ALA 89 CO 0.18 0.38 1.11 0.99 0.00 0.00 0.00 175.76 178.42 1x53 s THR 90 N -0.16 4.31 -0.14 0.00 2.01 -1.01 0.05 115.64 120.70 1x53 s THR 90 Ca -0.02 1.38 -0.00 0.00 0.31 0.00 0.00 61.69 63.36 1x53 s THR 90 Cb -0.12 -4.54 -0.01 0.00 0.01 0.00 0.00 72.50 67.84 1x53 s THR 90 CO 0.03 -0.83 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.37 1x53 s ILE 91 N 4.17 2.97 -0.33 1.82 1.09 0.63 -0.78 121.20 130.77 1x53 s ILE 91 Ca 0.47 -0.68 0.02 0.00 -1.10 0.00 0.00 60.65 59.36 1x53 s ILE 91 Cb -0.09 -2.25 0.10 0.00 -1.06 0.00 0.00 42.46 39.16 1x53 s ILE 91 CO 0.26 0.52 0.06 -0.89 -0.10 0.00 0.00 174.94 174.79 1x53 s THR 92 N 0.53 1.74 0.43 2.92 2.01 -0.66 -0.52 115.64 122.09 1x53 s THR 92 Ca -0.09 -1.96 -0.13 0.00 0.31 0.00 0.00 61.69 59.82 1x53 s THR 92 Cb -0.16 -2.29 -0.07 0.00 0.01 0.00 0.00 72.50 70.00 1x53 s THR 92 CO 0.04 -0.61 0.83 -0.76 -0.69 0.00 0.00 174.62 173.43 1x53 s LEU 93 N 1.18 3.79 -0.03 4.42 1.43 0.14 -2.81 118.68 126.79 1x53 s LEU 93 Ca 0.10 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.46 1x53 s LEU 93 Cb -0.18 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 41.91 1x53 s LEU 93 CO -0.14 -0.44 0.07 -0.89 0.23 0.00 0.00 176.35 175.18 1x53 s THR 94 N -2.41 -0.05 -0.24 5.49 2.01 -1.16 -0.77 115.64 118.50 1x53 s THR 94 Ca 0.54 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.64 1x53 s THR 94 Cb -0.10 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1x53 s THR 94 CO 0.30 0.08 0.13 -0.36 -0.69 0.00 0.00 174.62 174.08 1x53 s PHE 95 N 1.07 3.21 0.19 4.92 0.40 -0.83 -2.01 117.98 124.94 1x53 s PHE 95 Ca -0.09 -0.02 0.09 0.00 -0.60 0.00 0.00 56.93 56.32 1x53 s PHE 95 Cb -0.12 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1x53 s PHE 95 CO -0.04 -0.11 -0.07 0.42 0.70 0.00 0.00 175.22 176.12 1x53 s ILE 96 N 1.31 3.27 -0.15 0.64 1.01 -1.17 -4.75 121.20 121.36 1x53 s ILE 96 Ca 0.06 -1.68 -0.06 0.00 0.00 0.00 0.00 60.65 58.97 1x53 s ILE 96 Cb -0.15 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1x53 s ILE 96 CO 0.06 -0.15 0.06 -0.62 0.00 0.00 0.00 174.94 174.28 1x53 s ASP 97 N -2.97 5.66 -0.03 3.58 2.15 -1.26 -2.97 116.67 120.82 1x53 s ASP 97 Ca 0.26 0.15 0.05 0.00 0.43 0.00 0.00 52.55 53.44 1x53 s ASP 97 Cb -0.08 -1.89 0.07 0.00 -0.30 0.00 0.00 42.92 40.72 1x53 s ASP 97 CO 0.16 0.25 0.93 0.29 -0.17 0.00 0.00 175.17 176.63 1x53 n LYS 98 N 3.03 1.42 -2.55 4.34 4.76 -0.79 -4.97 118.16 123.40 1x53 n LYS 98 Ca -0.17 -1.48 -0.07 0.00 -2.87 0.00 0.00 58.31 53.72 1x53 n LYS 98 Cb 0.53 -0.94 0.03 0.00 -1.84 0.00 0.00 35.03 32.81 1x53 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x53 n ASN 99 N -0.55 -2.04 0.00 4.39 5.15 -1.26 -4.45 115.26 116.49 1x53 n ASN 99 Ca 0.04 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1x53 n ASN 99 Cb 0.48 -2.27 0.00 0.00 -0.53 0.00 0.00 39.78 37.46 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 1.88 3.45 8.20 0.00 -1.26 -5.13 105.19 111.28 1x53 n GLY 100 Ca -0.11 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 1.63 -0.09 1.61 2.02 -1.26 -3.55 118.70 119.06 1x53 s GLU 101 Ca 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1x53 s GLU 101 Cb 0.00 -1.01 0.02 0.00 0.10 0.00 0.00 34.13 33.24 1x53 s GLU 101 CO 0.00 -0.10 -0.08 0.99 0.02 0.00 0.00 175.26 176.09 1x53 s THR 102 N -3.17 0.96 -0.55 3.63 2.01 0.12 -1.88 115.64 116.76 1x53 s THR 102 Ca 0.34 -0.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 1x53 s THR 102 Cb 0.07 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.68 1x53 s THR 102 CO 0.14 0.35 0.76 -0.70 -0.69 0.00 0.00 174.62 174.48 1x53 s GLU 103 N 1.42 3.15 -0.42 4.92 2.56 -1.16 0.59 118.70 129.76 1x53 s GLU 103 Ca -0.01 -0.82 -0.25 0.00 0.00 0.00 0.00 54.97 53.88 1x53 s GLU 103 Cb -0.13 -4.14 0.02 0.00 2.00 0.00 0.00 34.13 31.88 1x53 s GLU 103 CO -0.05 -1.43 0.91 -1.17 -0.56 0.00 0.00 175.26 172.96 1x53 s LEU 104 N 3.15 4.02 -0.68 2.70 2.96 -0.18 -3.03 118.68 127.61 1x53 s LEU 104 Ca 0.19 0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 54.26 1x53 s LEU 104 Cb -0.18 -3.19 0.18 0.00 0.50 0.00 0.00 46.19 43.49 1x53 s LEU 104 CO 0.12 -0.95 0.62 0.00 -1.32 0.00 0.00 176.35 174.82 1x53 s MET 106 N 0.74 4.64 -0.33 0.00 1.75 0.72 -2.97 119.30 123.86 1x53 s MET 106 Ca 0.12 1.29 -0.01 0.00 -1.25 0.00 0.00 55.69 55.83 1x53 s MET 106 Cb -0.19 -3.33 0.11 0.00 2.84 0.00 0.00 34.83 34.26 1x53 s MET 106 CO -0.04 0.38 0.14 -2.00 -0.65 0.00 0.00 175.02 172.85 1x53 s GLU 107 N -0.52 0.62 -0.19 4.11 2.12 -1.12 -1.52 118.70 122.19 1x53 s GLU 107 Ca 0.41 -1.08 -0.07 0.00 0.36 0.00 0.00 54.97 54.59 1x53 s GLU 107 Cb -0.23 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 1x53 s GLU 107 CO 0.28 -1.05 0.07 0.20 -0.54 0.00 0.00 175.26 174.21 1x53 s GLY 108 N 1.52 1.89 -0.20 -1.50 0.00 -1.16 -1.65 107.32 106.22 1x53 s GLY 108 Ca 0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 1x53 s GLY 108 CO -0.22 0.13 -0.02 1.09 0.00 0.00 0.00 173.10 174.07 1x53 s ARG 109 N 0.55 1.24 0.00 2.90 1.70 0.04 -0.06 118.95 125.32 1x53 s ARG 109 Ca 0.03 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.65 1x53 s ARG 109 Cb -0.13 -2.23 0.00 0.00 -0.57 0.00 0.00 34.95 32.03 1x53 s ARG 109 CO 0.01 -0.55 0.00 0.41 -1.08 0.00 0.00 175.30 174.09 1x53 n GLY 110 N 4.86 0.01 3.69 3.88 0.00 -1.03 -2.40 105.19 114.20 1x53 n GLY 110 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1x53 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 111 N -0.89 3.66 0.07 -0.61 1.09 -0.92 -4.62 121.20 118.99 1x53 s ILE 111 Ca 0.00 1.06 -0.37 0.00 -1.10 0.00 0.00 60.65 60.24 1x53 s ILE 111 Cb 0.00 -3.68 -0.17 0.00 -1.06 0.00 0.00 42.46 37.55 1x53 s ILE 111 CO 0.00 0.00 1.34 -2.65 -0.10 0.00 0.00 174.94 173.54 1x53 n PRO 112 N 5.27 1.12 -0.30 2.79 -0.02 -1.26 0.12 135.00 142.71 1x53 n PRO 112 Ca 0.13 0.40 0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1x53 n PRO 112 Cb 0.43 -2.04 0.15 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 4.58 1.17 0.00 3.55 0.00 -0.82 1.15 119.26 128.88 1x53 h ALA 113 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1x53 h ALA 113 Cb 1.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1x53 h ALA 113 CO 0.78 0.17 0.00 -0.35 0.00 0.00 0.00 179.25 179.85 1x53 n PRO 114 N -4.69 0.05 0.00 0.00 -0.04 -1.26 -2.73 135.00 126.33 1x53 n PRO 114 Ca 0.13 0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.84 1x53 n PRO 114 Cb 0.23 -1.59 -0.03 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 -1.69 5.38 -0.35 0.54 -0.58 0.01 -4.73 120.64 119.22 1x53 n GLU 115 Ca 0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 57.16 56.76 1x53 n GLU 115 Cb 0.23 -0.73 0.03 0.00 -0.57 0.00 0.00 31.44 30.40 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 -1.10 -0.22 0.00 3.49 2.13 0.38 -0.03 120.64 125.28 1x53 n GLU 116 Ca 0.01 1.39 0.00 0.00 0.66 0.00 0.00 57.16 59.22 1x53 n GLU 116 Cb 0.07 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 -5.32 0.00 -0.31 5.31 2.13 -1.26 -1.46 120.64 119.73 1x53 n GLU 117 Ca 0.09 0.48 0.06 0.00 0.66 0.00 0.00 57.16 58.44 1x53 n GLU 117 Cb 0.36 -1.46 0.13 0.00 0.27 0.00 0.00 31.44 30.73 1x53 n GLU 117 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1x53 n ARG 118 N -1.93 -0.08 0.00 5.31 0.63 -0.83 0.94 116.66 120.70 1x53 n ARG 118 Ca 0.00 1.33 0.00 0.00 -0.92 0.00 0.00 57.85 58.26 1x53 n ARG 118 Cb 0.00 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 30.92 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 -5.38 0.00 0.14 5.15 -1.04 0.95 -0.80 114.28 113.30 1x53 n THR 119 Ca 0.14 1.48 0.08 0.00 -2.04 0.00 0.00 64.05 63.71 1x53 n THR 119 Cb 0.45 -2.42 0.40 0.00 -1.82 0.00 0.00 70.33 66.94 1x53 n THR 119 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1x53 n ARG 120 N -2.06 0.10 0.10 -2.82 0.63 -0.53 -0.14 116.66 111.94 1x53 n ARG 120 Ca 0.00 0.57 -0.21 0.00 -0.92 0.00 0.00 57.85 57.29 1x53 n ARG 120 Cb 0.00 -1.98 -0.15 0.00 0.45 0.00 0.00 32.46 30.78 1x53 n ARG 120 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1x53 h GLN 121 N 0.00 0.40 -0.20 -0.14 1.08 0.12 -3.36 115.11 113.01 1x53 h GLN 121 Ca 0.00 -0.68 -0.03 0.00 -1.45 0.00 0.00 58.65 56.50 1x53 h GLN 121 Cb 0.33 0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1x53 h GLN 121 CO 0.00 1.30 -0.03 0.41 -0.95 0.00 0.00 178.83 179.56 1x53 n GLY 122 N 1.72 4.44 0.02 3.46 0.00 0.34 -4.48 105.19 110.68 1x53 n GLY 122 Ca -0.18 -1.11 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 1x53 n GLY 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1x53 h TRP 123 N 1.18 0.00 -0.10 1.61 7.01 -0.68 -3.40 115.95 121.57 1x53 h TRP 123 Ca 0.04 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.95 1x53 h TRP 123 Cb 1.35 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.40 1x53 h TRP 123 CO 0.46 0.00 -0.32 1.96 -2.79 0.00 0.00 178.44 177.75 1x53 h GLN 124 N -0.28 0.20 -0.55 2.65 4.20 -1.83 0.75 115.11 120.24 1x53 h GLN 124 Ca 0.00 -0.07 0.16 0.00 0.06 0.00 0.00 58.65 58.80 1x53 h GLN 124 Cb 0.12 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1x53 h GLN 124 CO 0.00 0.50 0.72 0.00 -0.67 0.00 0.00 178.83 179.38 1x53 h ARG 125 N 0.17 0.00 0.00 1.46 3.08 -1.78 0.22 114.38 117.52 1x53 h ARG 125 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1x53 h ARG 125 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1x53 h ARG 125 CO 0.05 0.00 -1.01 0.66 -1.07 0.00 0.00 179.97 178.60 1x53 n TYR 126 N -3.40 0.00 0.11 3.04 4.01 -1.05 -3.49 117.16 116.39 1x53 n TYR 126 Ca 0.11 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.81 1x53 n TYR 126 Cb 0.92 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.92 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 -0.23 -3.31 116.97 110.44 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 1.01 0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.83 1x53 h TYR 127 CO 0.00 -0.17 -0.12 1.19 -0.00 0.00 0.00 178.16 179.06 1x53 n PHE 128 N -3.04 0.11 -0.30 4.88 3.72 -0.47 -3.67 117.46 118.69 1x53 n PHE 128 Ca -0.04 0.05 0.26 0.00 -0.05 0.00 0.00 57.45 57.67 1x53 n PHE 128 Cb 0.12 -0.26 0.44 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 -2.74 -0.02 0.00 -1.08 -0.58 0.64 -0.42 120.64 116.43 1x53 n GLU 129 Ca -0.02 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 1x53 n GLU 129 Cb 0.06 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 1x53 n GLU 129 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x53 n GLY 130 N -1.33 -1.01 0.30 0.62 0.00 -1.23 -3.57 105.19 98.97 1x53 n GLY 130 Ca 0.26 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.38 1x53 n GLY 130 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x53 h ILE 131 N 0.00 0.34 -1.17 -0.61 2.04 -1.12 0.65 117.51 117.65 1x53 h ILE 131 Ca 0.00 -0.07 0.33 0.00 1.00 0.00 0.00 64.86 66.12 1x53 h ILE 131 Cb 0.00 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 36.14 1x53 h ILE 131 CO 0.00 0.04 0.81 0.11 0.00 0.00 0.00 178.15 179.10 1x53 h LYS 132 N 0.20 0.13 0.00 2.37 1.57 -0.88 0.44 116.57 120.40 1x53 h LYS 132 Ca 0.51 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 59.07 1x53 h LYS 132 Cb 0.98 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 1x53 h LYS 132 CO -0.64 0.09 -1.58 1.04 -0.57 0.00 0.00 179.45 177.79 1x53 n GLN 133 N -4.36 0.55 -0.03 3.15 6.02 0.19 -0.80 117.38 122.10 1x53 n GLN 133 Ca 0.27 0.30 -0.09 0.00 -0.01 0.00 0.00 57.00 57.46 1x53 n GLN 133 Cb 1.16 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.88 1x53 n GLN 133 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1x53 h THR 134 N -1.00 0.34 0.00 5.09 2.02 -0.15 -2.58 112.91 116.63 1x53 h THR 134 Ca -0.31 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 1x53 h THR 134 Cb 1.22 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1x53 h THR 134 CO -0.19 0.00 -1.09 -0.26 0.37 0.00 0.00 175.52 174.35 1x53 h PHE 135 N -0.31 0.00 -1.44 3.16 -1.00 -0.37 -3.49 116.94 113.49 1x53 h PHE 135 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1x53 h PHE 135 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 1x53 h PHE 135 CO -0.40 0.25 0.00 0.41 -1.61 0.00 0.00 178.31 176.96 1x53 n GLY 136 N 1.26 0.64 1.13 -1.45 0.00 -0.60 -4.98 105.19 101.19 1x53 n GLY 136 Ca -0.04 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.37 1.20 -3.69 1.61 4.01 0.02 -4.80 117.16 114.14 1x53 n TYR 137 Ca 0.00 -0.82 -0.20 0.00 -0.16 0.00 0.00 57.90 56.72 1x53 n TYR 137 Cb 0.44 -0.35 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.61 1.43 -0.00 2.72 0.00 -0.80 -0.15 107.32 108.91 1x53 s GLY 138 Ca 0.45 -1.36 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 1x53 s GLY 138 CO 0.11 -1.33 -0.00 0.00 0.00 0.00 0.00 173.10 171.89 1x53 n ALA 139 N -1.54 2.78 -2.63 3.20 0.00 -1.26 -4.74 120.51 116.32 1x53 n ALA 139 Ca -0.04 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1x53 n ALA 139 Cb 0.58 0.50 -0.06 0.00 0.00 0.00 0.00 19.45 20.47 1x53 n ALA 139 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x53 s SER 140 N -4.78 4.98 0.00 0.00 1.04 -1.26 -5.14 113.70 108.54 1x53 s SER 140 Ca -0.00 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1x53 s SER 140 Cb 0.00 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.14 1x53 s SER 140 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1x53 n GLY 141 N -1.13 2.50 3.72 7.32 0.00 -1.26 -5.06 105.19 111.28 1x53 n GLY 141 Ca -0.05 -1.78 -0.42 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 4.50 4.47 -0.19 1.61 0.04 -1.26 -4.97 135.00 139.21 1x53 s PRO 142 Ca 0.00 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.65 1x53 s PRO 142 Cb 0.00 -3.32 -0.12 0.00 0.04 0.00 0.00 34.50 31.10 1x53 s PRO 142 CO 0.00 -0.17 0.02 0.43 0.04 0.00 0.00 177.00 177.32 1x53 n SER 143 N 3.41 1.85 0.21 6.66 7.64 -1.26 -4.51 113.62 127.62 1x53 n SER 143 Ca 0.07 0.50 -0.15 0.00 1.01 0.00 0.00 58.87 60.30 1x53 n SER 143 Cb 0.46 -0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 62.67 1x53 n SER 143 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x53 h SER 144 N -1.00 -0.52 0.00 6.43 0.02 -2.07 -3.57 113.55 112.84 1x53 h SER 144 Ca -0.22 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1x53 h SER 144 Cb 1.00 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1x53 h SER 144 CO -0.13 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 175.83