#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 0.11 -0.41 1.61 0.01 -1.26 -5.12 113.70 108.64 1x53 s SER 2 Ca 0.00 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.07 1x53 s SER 2 Cb 0.00 0.06 0.11 0.00 0.21 0.00 0.00 66.02 66.40 1x53 s SER 2 CO 0.00 -0.15 0.14 -0.94 0.41 0.00 0.00 173.24 172.70 1x53 s SER 3 N -0.71 4.54 0.00 2.44 1.04 -1.26 -4.90 113.70 114.85 1x53 s SER 3 Ca -0.08 -2.48 0.00 0.00 0.48 0.00 0.00 55.95 53.87 1x53 s SER 3 Cb -0.05 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1x53 s SER 3 CO -0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1x53 n GLY 4 N 3.81 -1.83 2.90 7.32 0.00 -1.26 -5.16 105.19 110.97 1x53 n GLY 4 Ca 0.04 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.73 1x53 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x53 s SER 5 N 0.00 -0.07 -0.60 1.61 0.15 -1.26 -5.09 113.70 108.43 1x53 s SER 5 Ca 0.00 0.22 -0.26 0.00 0.70 0.00 0.00 55.95 56.61 1x53 s SER 5 Cb 0.00 0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.41 1x53 s SER 5 CO 0.00 -0.12 1.97 -0.44 1.20 0.00 0.00 173.24 175.84 1x53 s SER 6 N 0.95 5.10 0.00 5.45 0.01 -1.26 -4.73 113.70 119.23 1x53 s SER 6 Ca -0.07 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1x53 s SER 6 Cb -0.10 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1x53 s SER 6 CO -0.04 -2.50 0.00 0.61 0.41 0.00 0.00 173.24 171.72 1x53 n GLY 7 N 5.80 0.83 3.61 3.44 0.00 -1.26 -5.06 105.19 112.56 1x53 n GLY 7 Ca 0.24 -2.33 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.97 4.04 0.41 -0.61 1.01 -1.26 -5.09 121.20 118.72 1x53 s ILE 8 Ca 0.00 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 1x53 s ILE 8 Cb 0.00 -2.70 -0.10 0.00 0.01 0.00 0.00 42.46 39.67 1x53 s ILE 8 CO 0.00 0.58 0.99 -2.16 0.00 0.00 0.00 174.94 174.34 1x53 s PRO 9 N -0.56 4.23 0.29 2.79 0.04 -1.26 -4.97 135.00 135.56 1x53 s PRO 9 Ca 0.09 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.46 1x53 s PRO 9 Cb -0.12 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1x53 s PRO 9 CO 0.02 -0.05 0.25 0.95 0.04 0.00 0.00 177.00 178.21 1x53 s THR 10 N -1.90 0.00 0.33 1.26 -4.23 -1.26 -0.04 115.64 109.80 1x53 s THR 10 Ca 0.59 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1x53 s THR 10 Cb -0.15 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1x53 s THR 10 CO 0.20 0.00 0.50 0.00 -0.54 0.00 0.00 174.62 174.78 1x53 s LYS 12 N -2.58 3.10 -0.60 0.00 2.20 -1.26 -2.20 119.74 118.39 1x53 s LYS 12 Ca 0.24 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.51 1x53 s LYS 12 Cb -0.02 -2.90 0.19 0.00 -1.51 0.00 0.00 37.83 33.60 1x53 s LYS 12 CO 0.17 0.69 0.51 -0.89 -0.36 0.00 0.00 175.35 175.47 1x53 n ILE 13 N 1.71 0.93 -3.20 5.43 2.08 0.92 -4.99 119.36 122.24 1x53 n ILE 13 Ca -0.17 -4.53 -0.42 0.00 0.56 0.00 0.00 62.75 58.19 1x53 n ILE 13 Cb 0.53 -2.03 -0.07 0.00 -0.75 0.00 0.00 39.64 37.32 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 -1.27 4.96 -0.08 1.39 2.01 -1.26 -2.72 115.64 118.67 1x53 s THR 14 Ca 0.30 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.56 1x53 s THR 14 Cb 0.03 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 1x53 s THR 14 CO -0.15 -0.36 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.46 1x53 s LEU 15 N 2.51 2.29 -0.28 4.42 1.43 -0.50 -4.97 118.68 123.58 1x53 s LEU 15 Ca 0.20 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1x53 s LEU 15 Cb -0.15 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.69 1x53 s LEU 15 CO 0.15 0.23 -0.05 -0.54 0.23 0.00 0.00 176.35 176.37 1x53 s LYS 16 N -0.05 1.89 0.15 1.70 3.01 -1.26 0.00 119.74 125.17 1x53 s LYS 16 Ca -0.06 -1.42 0.10 0.00 -1.01 0.00 0.00 55.97 53.59 1x53 s LYS 16 Cb -0.14 -2.89 -0.04 0.00 -1.01 0.00 0.00 37.83 33.74 1x53 s LYS 16 CO 0.05 -0.68 -0.24 -2.00 0.51 0.00 0.00 175.35 172.99 1x53 s GLU 17 N 1.12 1.35 -0.18 1.68 2.56 -1.10 -5.00 118.70 119.14 1x53 s GLU 17 Ca -0.03 -1.37 -0.05 0.00 0.00 0.00 0.00 54.97 53.53 1x53 s GLU 17 Cb -0.19 -1.69 -0.03 0.00 2.00 0.00 0.00 34.13 34.22 1x53 s GLU 17 CO -0.07 0.38 0.00 0.99 -0.56 0.00 0.00 175.26 176.01 1x53 s THR 18 N -1.39 4.13 -0.11 -1.70 2.01 -1.26 -0.94 115.64 116.38 1x53 s THR 18 Ca 0.14 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.84 1x53 s THR 18 Cb -0.09 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1x53 s THR 18 CO 0.07 0.46 0.05 -0.36 -0.69 0.00 0.00 174.62 174.14 1x53 s PHE 19 N 0.64 3.30 -0.01 4.92 0.40 0.83 -4.71 117.98 123.33 1x53 s PHE 19 Ca -0.00 0.26 -0.00 0.00 -0.60 0.00 0.00 56.93 56.59 1x53 s PHE 19 Cb -0.14 -1.88 0.01 0.00 0.51 0.00 0.00 43.02 41.52 1x53 s PHE 19 CO 0.02 0.49 1.81 1.28 0.70 0.00 0.00 175.22 179.52 1x53 n LEU 20 N 2.32 4.94 -4.11 -0.37 7.99 0.12 -0.05 117.00 127.85 1x53 n LEU 20 Ca -0.19 -2.27 -0.09 0.00 -0.01 0.00 0.00 56.01 53.45 1x53 n LEU 20 Cb 0.54 -1.00 -0.09 0.00 -0.11 0.00 0.00 43.42 42.75 1x53 n LEU 20 CO 0.30 0.92 -0.25 0.28 -1.51 0.00 0.00 177.39 177.13 1x53 s THR 21 N -0.10 0.11 0.49 -5.08 -1.32 -1.24 -4.84 115.64 103.66 1x53 s THR 21 Ca 0.01 -1.80 -0.19 0.00 -1.21 0.00 0.00 61.69 58.51 1x53 s THR 21 Cb 0.01 -1.95 -0.09 0.00 -1.51 0.00 0.00 72.50 68.96 1x53 s THR 21 CO 0.00 -0.49 0.99 -0.44 -2.21 0.00 0.00 174.62 172.48 1x53 s SER 22 N -3.02 6.57 0.09 8.08 0.01 -1.26 -1.84 113.70 122.33 1x53 s SER 22 Ca 0.21 1.73 -0.25 0.00 1.31 0.00 0.00 55.95 58.95 1x53 s SER 22 Cb 0.07 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1x53 s SER 22 CO 0.00 -0.62 1.41 -0.65 0.41 0.00 0.00 173.24 173.80 1x53 h PRO 23 N 1.38 -0.39 -1.19 12.44 0.11 -1.87 -0.52 132.00 141.96 1x53 h PRO 23 Ca -0.48 0.03 0.44 0.00 0.11 0.00 0.00 66.00 66.09 1x53 h PRO 23 Cb 1.20 0.09 -0.16 0.00 0.11 0.00 0.00 31.00 32.24 1x53 h PRO 23 CO 0.60 -0.26 0.71 1.05 -0.21 0.00 0.00 178.00 179.89 1x53 h GLU 24 N -0.41 0.04 0.02 1.05 4.11 -1.94 0.47 114.58 117.93 1x53 h GLU 24 Ca 0.03 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1x53 h GLU 24 Cb 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1x53 h GLU 24 CO -0.36 0.02 -0.01 1.49 0.07 0.00 0.00 179.01 180.23 1x53 h GLU 25 N 0.04 -0.03 -0.05 1.06 4.57 -1.48 -3.05 114.58 115.64 1x53 h GLU 25 Ca 0.85 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 59.05 1x53 h GLU 25 Cb 2.47 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 31.07 1x53 h GLU 25 CO -0.60 -0.02 0.23 1.25 -1.18 0.00 0.00 179.01 178.69 1x53 h LEU 26 N -0.04 0.00 -1.10 1.64 5.85 -0.88 0.15 115.31 120.94 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 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1x53 h LEU 26 CO 0.01 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 1x53 n TYR 27 N -3.12 0.75 -0.12 1.25 9.36 0.15 -3.02 117.16 122.42 1x53 n TYR 27 Ca -0.01 0.35 -0.22 0.00 3.32 0.00 0.00 57.90 61.33 1x53 n TYR 27 Cb 0.30 -1.06 -0.08 0.00 -0.63 0.00 0.00 39.34 37.87 1x53 n TYR 27 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1x53 n ARG 28 N -2.23 0.56 -0.22 2.98 1.74 0.53 -3.38 116.66 116.64 1x53 n ARG 28 Ca 0.00 0.30 0.30 0.00 -0.77 0.00 0.00 57.85 57.69 1x53 n ARG 28 Cb 0.12 -1.52 0.57 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.10 0.00 1.55 2.07 -1.55 2.01 116.25 119.43 1x53 h VAL 29 Ca -0.44 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 66.84 1x53 h VAL 29 Cb 1.36 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1x53 h VAL 29 CO -0.27 0.00 -2.07 0.49 0.02 0.00 0.00 177.57 175.74 1x53 n PHE 30 N -3.48 0.24 -1.18 1.57 3.01 -1.17 -4.02 117.46 112.43 1x53 n PHE 30 Ca 0.23 0.08 0.02 0.00 1.01 0.00 0.00 57.45 58.79 1x53 n PHE 30 Cb 1.40 -0.90 0.23 0.00 -0.01 0.00 0.00 39.48 40.20 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 -2.66 2.44 -3.62 4.37 -2.24 0.54 -4.88 114.28 108.22 1x53 n THR 31 Ca -0.20 -2.20 -0.28 0.00 -2.27 0.00 0.00 64.05 59.10 1x53 n THR 31 Cb 0.94 -0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.01 0.10 0.08 4.28 2.01 0.55 -4.39 115.64 115.27 1x53 s THR 32 Ca 0.44 -0.54 -0.20 0.00 0.31 0.00 0.00 61.69 61.70 1x53 s THR 32 Cb 0.37 -0.89 -0.06 0.00 0.01 0.00 0.00 72.50 71.94 1x53 s THR 32 CO 0.06 -0.46 1.34 -0.61 -0.69 0.00 0.00 174.62 174.25 1x53 h GLN 33 N 8.36 -0.18 -0.89 4.92 4.15 -1.86 -0.91 115.11 128.70 1x53 h GLN 33 Ca -0.17 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.35 1x53 h GLN 33 Cb 1.08 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.71 1x53 h GLN 33 CO 0.37 -0.12 -0.54 1.49 -1.93 0.00 0.00 178.83 178.09 1x53 h GLU 34 N -0.19 -0.02 -1.03 1.69 4.81 -1.91 0.95 114.58 118.89 1x53 h GLU 34 Ca 0.06 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.55 1x53 h GLU 34 Cb 0.34 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.64 1x53 h GLU 34 CO -0.42 -0.01 0.67 -0.07 -0.73 0.00 0.00 179.01 178.44 1x53 h LEU 35 N -0.02 0.43 -0.14 1.64 3.38 -1.70 0.24 115.31 119.15 1x53 h LEU 35 Ca 0.14 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1x53 h LEU 35 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1x53 h LEU 35 CO -0.85 0.10 -0.05 0.58 0.09 0.00 0.00 178.44 178.30 1x53 h VAL 36 N 0.39 1.31 0.00 1.22 2.07 0.22 -2.58 116.25 118.87 1x53 h VAL 36 Ca 0.57 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1x53 h VAL 36 Cb 1.48 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1x53 h VAL 36 CO -0.27 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1x53 n GLN 37 N -4.68 0.16 -0.10 1.57 6.02 0.02 -1.06 117.38 119.31 1x53 n GLN 37 Ca -0.06 0.13 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 1x53 n GLN 37 Cb 0.28 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.92 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 2.40 0.24 -0.00 -1.58 0.00 -1.01 -2.68 119.26 116.62 1x53 h ALA 38 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1x53 h ALA 38 Cb 0.04 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x53 h ALA 38 CO 0.00 0.63 -0.23 1.97 0.00 0.00 0.00 179.25 181.62 1x53 n PHE 39 N -4.45 0.00 0.29 0.00 1.16 -1.02 -3.62 117.46 109.82 1x53 n PHE 39 Ca -0.30 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.34 1x53 n PHE 39 Cb 0.66 -0.24 -0.09 0.00 -1.61 0.00 0.00 39.48 38.20 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 -1.13 0.00 -4.08 1.97 -2.24 -0.22 -4.70 114.28 103.88 1x53 n THR 40 Ca 0.10 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.28 1x53 n THR 40 Cb 0.32 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.64 -1.09 -3.75 4.78 8.25 -1.01 -4.80 115.22 115.97 1x53 n HIS 41 Ca -0.00 0.57 -0.13 0.00 -0.26 0.00 0.00 57.72 57.90 1x53 n HIS 41 Cb 0.27 -1.60 -0.08 0.00 1.12 0.00 0.00 29.99 29.69 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 -0.82 -0.89 -1.41 0.00 -1.26 -4.97 121.76 109.50 1x53 s ALA 42 Ca 0.69 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 1x53 s ALA 42 Cb -0.41 0.12 -0.24 0.00 0.00 0.00 0.00 23.12 22.60 1x53 s ALA 42 CO 0.85 -0.29 2.33 -2.30 0.00 0.00 0.00 175.76 176.35 1x53 n PRO 43 N 1.13 0.27 -4.95 0.00 -0.02 -1.26 -4.51 135.00 125.66 1x53 n PRO 43 Ca -0.21 -0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 60.68 1x53 n PRO 43 Cb 0.57 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 1x53 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x53 s ALA 44 N 6.96 2.57 -0.33 3.55 0.00 -1.26 -3.21 121.76 130.05 1x53 s ALA 44 Ca 1.17 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.16 1x53 s ALA 44 Cb -0.62 -0.93 0.10 0.00 0.00 0.00 0.00 23.12 21.67 1x53 s ALA 44 CO 0.38 0.51 0.07 0.99 0.00 0.00 0.00 175.76 177.72 1x53 s THR 45 N -0.58 1.67 -0.08 0.00 2.01 0.23 -4.80 115.64 114.10 1x53 s THR 45 Ca 0.08 -1.95 -0.02 0.00 0.31 0.00 0.00 61.69 60.11 1x53 s THR 45 Cb -0.11 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1x53 s THR 45 CO 0.01 -0.64 0.01 -0.22 -0.69 0.00 0.00 174.62 173.10 1x53 s LEU 46 N 1.19 3.64 -0.35 4.42 0.20 -1.26 -0.08 118.68 126.45 1x53 s LEU 46 Ca 0.11 0.15 0.00 0.00 0.69 0.00 0.00 54.13 55.08 1x53 s LEU 46 Cb -0.18 -1.88 0.11 0.00 -0.43 0.00 0.00 46.19 43.81 1x53 s LEU 46 CO -0.15 0.37 0.14 -1.61 -0.29 0.00 0.00 176.35 174.80 1x53 s GLU 47 N -1.00 0.85 -0.70 1.98 2.02 -1.07 -4.19 118.70 116.59 1x53 s GLU 47 Ca 0.14 -1.33 -0.26 0.00 0.02 0.00 0.00 54.97 53.55 1x53 s GLU 47 Cb -0.11 -2.04 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 1x53 s GLU 47 CO 0.04 -1.05 2.25 0.00 0.02 0.00 0.00 175.26 176.52 1x53 s ALA 48 N 1.26 1.34 -0.24 5.21 0.00 -1.26 -4.31 121.76 123.75 1x53 s ALA 48 Ca 0.12 -0.68 -0.28 0.00 0.00 0.00 0.00 51.96 51.12 1x53 s ALA 48 Cb -0.19 -4.47 0.16 0.00 0.00 0.00 0.00 23.12 18.61 1x53 s ALA 48 CO -0.17 -5.03 1.20 0.34 0.00 0.00 0.00 175.76 172.11 1x53 s ASP 49 N 10.34 -0.21 -0.46 0.00 2.15 -1.26 -5.02 116.67 122.20 1x53 s ASP 49 Ca 0.86 0.30 -0.27 0.00 0.43 0.00 0.00 52.55 53.87 1x53 s ASP 49 Cb -0.13 0.26 -0.07 0.00 -0.30 0.00 0.00 42.92 42.68 1x53 s ASP 49 CO 0.13 -0.15 2.39 0.54 -0.17 0.00 0.00 175.17 177.91 1x53 n ARG 50 N 1.03 1.16 0.00 4.34 1.74 -1.26 -0.11 116.66 123.56 1x53 n ARG 50 Ca -0.07 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1x53 n ARG 50 Cb 0.58 -3.35 0.00 0.00 -1.02 0.00 0.00 32.46 28.67 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 6.00 0.56 3.37 -0.13 0.00 0.62 -4.98 105.19 110.63 1x53 n GLY 51 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.02 1.45 -0.08 -0.02 0.00 0.84 -4.43 107.32 104.07 1x53 s GLY 52 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 44.72 44.12 1x53 s GLY 52 CO 0.00 0.28 -0.24 0.54 0.00 0.00 0.00 173.10 173.68 1x53 s LYS 53 N -4.93 2.75 -0.20 2.90 3.01 -1.26 -1.83 119.74 120.19 1x53 s LYS 53 Ca 0.69 -0.89 0.01 0.00 -1.01 0.00 0.00 55.97 54.77 1x53 s LYS 53 Cb -0.16 -2.21 0.03 0.00 -1.01 0.00 0.00 37.83 34.48 1x53 s LYS 53 CO 0.60 0.29 -0.16 -0.59 0.51 0.00 0.00 175.35 176.00 1x53 s PHE 54 N 0.07 2.74 -0.06 3.18 -0.12 -1.23 -2.59 117.98 119.97 1x53 s PHE 54 Ca -0.11 -1.73 0.05 0.00 -0.05 0.00 0.00 56.93 55.09 1x53 s PHE 54 Cb -0.16 -1.83 -0.02 0.00 -0.63 0.00 0.00 43.02 40.39 1x53 s PHE 54 CO 0.06 -0.80 -0.20 -1.58 -0.05 0.00 0.00 175.22 172.65 1x53 s HIS 55 N 1.29 2.56 0.32 3.49 2.46 0.88 -2.56 115.29 123.73 1x53 s HIS 55 Ca 0.01 -0.51 -0.00 0.00 0.47 0.00 0.00 55.06 55.03 1x53 s HIS 55 Cb -0.15 -1.63 -0.01 0.00 -0.13 0.00 0.00 32.58 30.66 1x53 s HIS 55 CO -0.10 -0.07 0.39 0.00 -2.47 0.00 0.00 174.74 172.49 1x53 s MET 56 N -0.31 1.79 -1.11 2.88 0.23 0.26 0.76 119.30 123.80 1x53 s MET 56 Ca 0.02 -1.79 -0.00 0.00 -1.03 0.00 0.00 55.69 52.88 1x53 s MET 56 Cb -0.13 0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 33.57 1x53 s MET 56 CO 0.02 -0.71 0.93 0.28 -2.03 0.00 0.00 175.02 173.51 1x53 n VAL 57 N -0.54 -5.86 -2.21 5.16 0.31 -1.26 -0.96 118.33 112.97 1x53 n VAL 57 Ca 0.03 -0.53 -0.19 0.00 -0.01 0.00 0.00 64.34 63.63 1x53 n VAL 57 Cb 0.62 -4.96 -0.03 0.00 -0.91 0.00 0.00 33.84 28.57 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 -3.00 -5.41 -0.19 4.52 -0.08 -1.25 -1.56 116.55 109.58 1x53 n ASP 58 Ca -0.25 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1x53 n ASP 58 Cb 0.66 -4.59 0.00 0.00 2.34 0.00 0.00 41.12 39.53 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 -0.83 0.72 0.01 0.27 0.00 -0.87 -4.87 105.19 99.62 1x53 n GLY 59 Ca -0.22 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.17 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 1.60 1.06 -3.86 1.61 3.02 -0.13 -4.79 115.26 113.77 1x53 n ASN 60 Ca 0.00 -0.25 -0.27 0.00 -0.03 0.00 0.00 54.58 54.03 1x53 n ASN 60 Cb 0.45 1.55 -0.17 0.00 -0.61 0.00 0.00 39.78 41.00 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 -2.98 0.91 0.46 2.41 1.01 -0.60 0.11 120.40 121.72 1x53 s VAL 61 Ca -0.03 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1x53 s VAL 61 Cb 0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1x53 s VAL 61 CO 0.69 0.16 0.03 -0.94 0.00 0.00 0.00 175.10 175.04 1x53 s SER 62 N 1.73 3.69 0.00 3.32 1.04 -1.13 -0.57 113.70 121.77 1x53 s SER 62 Ca 0.02 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1x53 s SER 62 Cb -0.14 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1x53 s SER 62 CO -0.07 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1x53 n GLY 63 N -1.10 0.61 3.35 7.32 0.00 -1.06 -2.92 105.19 111.40 1x53 n GLY 63 Ca -0.13 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.16 0.51 -0.18 1.61 -1.05 -1.24 -3.53 118.70 114.67 1x53 s GLU 64 Ca 0.00 0.72 -0.29 0.00 -0.15 0.00 0.00 54.97 55.24 1x53 s GLU 64 Cb 0.00 0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 33.87 1x53 s GLU 64 CO 0.00 -0.09 1.06 -0.06 0.95 0.00 0.00 175.26 177.12 1x53 s PHE 65 N 0.63 3.32 -0.22 4.83 0.40 -0.76 -1.00 117.98 125.18 1x53 s PHE 65 Ca -0.03 1.44 0.05 0.00 -0.60 0.00 0.00 56.93 57.79 1x53 s PHE 65 Cb -0.05 -3.28 -0.17 0.00 0.51 0.00 0.00 43.02 40.03 1x53 s PHE 65 CO -0.04 -0.59 -0.15 0.25 0.70 0.00 0.00 175.22 175.39 1x53 n THR 66 N 5.09 1.34 -3.89 0.64 -2.24 0.12 0.23 114.28 115.56 1x53 n THR 66 Ca 0.11 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 1x53 n THR 66 Cb 0.47 -1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 67.43 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 -6.06 0.05 -0.18 3.42 -1.08 -0.62 -4.77 116.67 107.42 1x53 s ASP 67 Ca -0.27 -0.12 -0.04 0.00 -0.52 0.00 0.00 52.55 51.60 1x53 s ASP 67 Cb 0.08 0.13 0.08 0.00 -1.46 0.00 0.00 42.92 41.74 1x53 s ASP 67 CO 0.60 -0.16 0.19 -0.76 0.52 0.00 0.00 175.17 175.55 1x53 s LEU 68 N -0.65 -0.02 -0.07 -1.34 1.43 -1.26 -1.47 118.68 115.30 1x53 s LEU 68 Ca -0.07 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1x53 s LEU 68 Cb -0.04 0.25 -0.03 0.00 0.03 0.00 0.00 46.19 46.40 1x53 s LEU 68 CO -0.00 -0.32 -0.11 -0.69 0.23 0.00 0.00 176.35 175.46 1x53 s VAL 69 N 2.29 3.36 -0.33 -1.59 1.01 -0.78 -5.04 120.40 119.31 1x53 s VAL 69 Ca 0.05 -0.60 -0.39 0.00 0.00 0.00 0.00 61.98 61.04 1x53 s VAL 69 Cb -0.15 -2.36 -0.15 0.00 0.00 0.00 0.00 36.38 33.72 1x53 s VAL 69 CO -0.11 0.58 1.96 -2.65 0.00 0.00 0.00 175.10 174.88 1x53 n PRO 70 N 2.46 0.97 -3.09 2.72 -0.02 -1.26 -2.25 135.00 134.54 1x53 n PRO 70 Ca -0.18 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1x53 n PRO 70 Cb 0.53 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 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 6.68 -0.96 0.06 -0.52 1.02 -1.26 -4.63 120.64 121.03 1x53 n GLU 71 Ca 0.36 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1x53 n GLU 71 Cb 0.14 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.25 0.00 -3.57 3.49 4.76 -0.95 -4.84 118.16 114.79 1x53 n LYS 72 Ca -0.10 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.27 1x53 n LYS 72 Cb 0.25 -0.32 -0.02 0.00 -1.84 0.00 0.00 35.03 33.09 1x53 n LYS 72 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1x53 s HIS 73 N -2.00 -0.31 -0.02 2.13 -3.43 -1.23 -1.92 115.29 108.51 1x53 s HIS 73 Ca 0.00 0.11 -0.00 0.00 -0.80 0.00 0.00 55.06 54.37 1x53 s HIS 73 Cb 0.00 0.57 0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1x53 s HIS 73 CO 0.00 -0.67 0.03 0.42 -2.00 0.00 0.00 174.74 172.52 1x53 s ILE 74 N -3.25 -0.02 -0.18 -5.38 1.01 0.44 -1.87 121.20 111.95 1x53 s ILE 74 Ca 0.07 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.93 1x53 s ILE 74 Cb -0.01 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.35 1x53 s ILE 74 CO -0.06 0.10 -0.18 -0.69 0.00 0.00 0.00 174.94 174.12 1x53 s VAL 75 N 1.12 2.30 0.26 2.92 1.01 -0.54 0.52 120.40 127.99 1x53 s VAL 75 Ca -0.08 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1x53 s VAL 75 Cb -0.13 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1x53 s VAL 75 CO -0.03 0.52 0.48 0.00 0.00 0.00 0.00 175.10 176.08 1x53 s MET 76 N 1.18 1.60 0.23 2.72 0.23 0.14 0.14 119.30 125.54 1x53 s MET 76 Ca 0.02 -1.32 -0.07 0.00 -1.03 0.00 0.00 55.69 53.30 1x53 s MET 76 Cb -0.14 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 33.57 1x53 s MET 76 CO -0.08 -0.67 0.51 0.15 -2.03 0.00 0.00 175.02 172.90 1x53 s LYS 77 N -3.87 3.70 -0.01 3.16 1.02 -0.17 -0.17 119.74 123.40 1x53 s LYS 77 Ca 0.23 0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.32 1x53 s LYS 77 Cb -0.01 -2.69 -0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1x53 s LYS 77 CO 0.10 0.31 -0.04 -0.46 -0.92 0.00 0.00 175.35 174.34 1x53 s TRP 78 N -1.88 0.38 0.03 3.18 -0.00 0.85 -3.63 118.94 117.87 1x53 s TRP 78 Ca 0.45 -0.07 -0.28 0.00 -0.00 0.00 0.00 56.10 56.19 1x53 s TRP 78 Cb -0.11 -0.26 0.09 0.00 -0.00 0.00 0.00 33.47 33.19 1x53 s TRP 78 CO 0.25 -0.02 0.99 -0.98 -0.00 0.00 0.00 176.95 177.19 1x53 s ARG 79 N 0.01 0.85 0.38 5.86 1.70 -1.15 -0.32 118.95 126.29 1x53 s ARG 79 Ca 0.00 -0.40 0.06 0.00 -0.47 0.00 0.00 55.73 54.92 1x53 s ARG 79 Cb -0.03 0.34 -0.00 0.00 -0.57 0.00 0.00 34.95 34.69 1x53 s ARG 79 CO -0.00 -0.38 0.54 -0.06 -1.08 0.00 0.00 175.30 174.31 1x53 s PHE 80 N -3.03 3.04 -1.54 5.89 0.08 -1.26 -2.84 117.98 118.32 1x53 s PHE 80 Ca 0.09 -0.19 0.25 0.00 0.12 0.00 0.00 56.93 57.19 1x53 s PHE 80 Cb -0.00 -2.17 1.30 0.00 -0.57 0.00 0.00 43.02 41.57 1x53 s PHE 80 CO -0.04 -0.21 1.83 1.17 -0.10 0.00 0.00 175.22 177.88 1x53 n LYS 81 N -1.79 0.44 -0.02 0.44 0.00 0.31 -2.87 118.16 114.67 1x53 n LYS 81 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 58.31 58.41 1x53 n LYS 81 Cb 0.58 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 34.01 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 -1.23 1.80 -4.39 3.14 2.88 -1.26 -5.02 113.62 109.53 1x53 n SER 82 Ca 0.13 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.33 1x53 n SER 82 Cb 0.18 1.42 0.10 0.00 -0.75 0.00 0.00 64.21 65.15 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 -2.12 -1.61 -1.77 0.66 7.02 -1.14 -4.93 117.44 113.55 1x53 n TRP 83 Ca -0.08 0.24 -0.34 0.00 -1.02 0.00 0.00 57.50 56.31 1x53 n TRP 83 Cb 0.52 -1.79 0.05 0.00 -2.42 0.00 0.00 31.31 27.67 1x53 n TRP 83 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1x53 s PRO 84 N -3.29 2.75 0.67 -0.99 0.04 -1.26 -4.97 135.00 127.96 1x53 s PRO 84 Ca 0.58 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 1x53 s PRO 84 Cb -0.24 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1x53 s PRO 84 CO 0.66 -1.31 1.01 -1.91 0.04 0.00 0.00 177.00 175.50 1x53 n GLU 85 N -2.28 0.72 -4.12 4.56 4.07 -1.26 -2.61 120.64 119.71 1x53 n GLU 85 Ca 0.11 0.30 -0.32 0.00 -0.06 0.00 0.00 57.16 57.18 1x53 n GLU 85 Cb 0.51 -2.25 -0.02 0.00 -0.06 0.00 0.00 31.44 29.62 1x53 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x53 n GLY 86 N 1.14 -0.38 2.61 8.31 0.00 -1.26 -4.93 105.19 110.68 1x53 n GLY 86 Ca 0.14 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.50 1.28 0.36 1.61 5.04 -1.07 -5.12 115.29 113.88 1x53 s HIS 87 Ca 0.51 -1.80 0.07 0.00 -1.54 0.00 0.00 55.06 52.30 1x53 s HIS 87 Cb -0.27 -1.40 -0.07 0.00 0.04 0.00 0.00 32.58 30.88 1x53 s HIS 87 CO 0.91 -0.83 -0.02 -0.06 -2.34 0.00 0.00 174.74 172.40 1x53 s PHE 88 N 1.11 2.30 -0.08 3.88 0.40 -1.26 -4.76 117.98 119.57 1x53 s PHE 88 Ca 0.15 -0.69 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1x53 s PHE 88 Cb -0.21 -1.48 -0.00 0.00 0.51 0.00 0.00 43.02 41.83 1x53 s PHE 88 CO -0.10 0.37 -0.24 0.00 0.70 0.00 0.00 175.22 175.95 1x53 s ALA 89 N -2.84 2.13 -0.55 5.36 0.00 0.56 -4.79 121.76 121.63 1x53 s ALA 89 Ca 0.34 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 51.04 1x53 s ALA 89 Cb 0.07 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1x53 s ALA 89 CO 0.16 0.33 1.28 0.99 0.00 0.00 0.00 175.76 178.52 1x53 s THR 90 N 0.15 3.95 -0.18 0.00 2.01 -0.99 -0.11 115.64 120.47 1x53 s THR 90 Ca -0.13 0.86 -0.05 0.00 0.31 0.00 0.00 61.69 62.68 1x53 s THR 90 Cb -0.16 -4.58 -0.03 0.00 0.01 0.00 0.00 72.50 67.74 1x53 s THR 90 CO 0.07 -1.21 0.01 -0.63 -0.69 0.00 0.00 174.62 172.16 1x53 s ILE 91 N 5.31 4.15 -0.33 1.82 1.09 0.76 -1.75 121.20 132.26 1x53 s ILE 91 Ca 0.48 -0.25 0.03 0.00 -1.10 0.00 0.00 60.65 59.80 1x53 s ILE 91 Cb -0.09 -2.86 0.10 0.00 -1.06 0.00 0.00 42.46 38.55 1x53 s ILE 91 CO 0.26 0.45 0.05 -0.89 -0.10 0.00 0.00 174.94 174.71 1x53 s THR 92 N 0.69 1.96 0.37 2.92 2.01 -0.32 -0.68 115.64 122.58 1x53 s THR 92 Ca 0.00 -2.08 -0.13 0.00 0.31 0.00 0.00 61.69 59.79 1x53 s THR 92 Cb -0.14 -2.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.86 1x53 s THR 92 CO 0.02 -0.57 0.78 -0.76 -0.69 0.00 0.00 174.62 173.40 1x53 s LEU 93 N 1.08 3.93 -0.02 4.42 1.43 0.19 -2.67 118.68 127.03 1x53 s LEU 93 Ca 0.09 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1x53 s LEU 93 Cb -0.19 -4.10 0.03 0.00 0.03 0.00 0.00 46.19 41.96 1x53 s LEU 93 CO -0.11 -0.32 0.02 -0.89 0.23 0.00 0.00 176.35 175.27 1x53 s THR 94 N -2.20 0.02 -0.25 5.49 2.01 -1.17 -0.42 115.64 119.11 1x53 s THR 94 Ca 0.54 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.61 1x53 s THR 94 Cb -0.10 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1x53 s THR 94 CO 0.24 0.10 0.10 -0.36 -0.69 0.00 0.00 174.62 174.00 1x53 s PHE 95 N 0.94 3.12 0.20 4.92 0.40 -0.81 -2.10 117.98 124.64 1x53 s PHE 95 Ca -0.08 -0.28 0.09 0.00 -0.60 0.00 0.00 56.93 56.06 1x53 s PHE 95 Cb -0.12 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1x53 s PHE 95 CO -0.02 -0.29 -0.07 0.42 0.70 0.00 0.00 175.22 175.96 1x53 s ILE 96 N 1.60 3.31 -0.17 0.64 1.01 -1.18 -4.69 121.20 121.73 1x53 s ILE 96 Ca 0.06 -1.68 -0.07 0.00 0.00 0.00 0.00 60.65 58.96 1x53 s ILE 96 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1x53 s ILE 96 CO 0.05 -0.16 0.08 -0.62 0.00 0.00 0.00 174.94 174.29 1x53 s ASP 97 N -3.01 5.80 -0.03 3.58 -1.08 -1.26 -2.97 116.67 117.70 1x53 s ASP 97 Ca 0.27 0.17 0.04 0.00 -0.52 0.00 0.00 52.55 52.51 1x53 s ASP 97 Cb -0.08 -1.95 0.07 0.00 -1.46 0.00 0.00 42.92 39.49 1x53 s ASP 97 CO 0.17 0.23 0.94 0.29 0.52 0.00 0.00 175.17 177.31 1x53 n LYS 98 N 3.15 1.72 -2.44 4.34 4.76 -0.71 -4.98 118.16 124.00 1x53 n LYS 98 Ca -0.17 -1.50 -0.05 0.00 -2.87 0.00 0.00 58.31 53.72 1x53 n LYS 98 Cb 0.53 -0.97 0.03 0.00 -1.84 0.00 0.00 35.03 32.78 1x53 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x53 n ASN 99 N -0.57 -2.08 0.00 4.39 5.15 -1.26 -4.47 115.26 116.41 1x53 n ASN 99 Ca 0.04 -0.18 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1x53 n ASN 99 Cb 0.43 -1.84 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 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 -1.03 1.87 3.40 8.20 0.00 -1.26 -5.13 105.19 111.24 1x53 n GLY 100 Ca -0.08 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 1.48 -0.10 1.61 2.02 -1.26 -3.59 118.70 118.86 1x53 s GLU 101 Ca 0.00 -1.75 0.01 0.00 0.02 0.00 0.00 54.97 53.25 1x53 s GLU 101 Cb 0.00 -0.99 0.02 0.00 0.10 0.00 0.00 34.13 33.25 1x53 s GLU 101 CO 0.00 0.00 -0.12 0.99 0.02 0.00 0.00 175.26 176.15 1x53 s THR 102 N -3.13 1.29 -0.53 3.63 2.01 0.92 -1.73 115.64 118.09 1x53 s THR 102 Ca 0.29 -0.50 -0.21 0.00 0.31 0.00 0.00 61.69 61.58 1x53 s THR 102 Cb 0.04 -1.21 0.05 0.00 0.01 0.00 0.00 72.50 71.40 1x53 s THR 102 CO 0.11 0.40 0.74 -0.70 -0.69 0.00 0.00 174.62 174.48 1x53 s GLU 103 N 1.15 3.19 -0.63 4.92 -6.30 -1.16 -0.12 118.70 119.75 1x53 s GLU 103 Ca -0.04 -0.70 -0.24 0.00 -2.50 0.00 0.00 54.97 51.49 1x53 s GLU 103 Cb -0.14 -4.09 0.06 0.00 0.00 0.00 0.00 34.13 29.95 1x53 s GLU 103 CO -0.03 -1.34 0.99 -1.17 0.02 0.00 0.00 175.26 173.73 1x53 s LEU 104 N 3.12 4.15 -0.82 2.70 2.96 -0.11 -3.07 118.68 127.60 1x53 s LEU 104 Ca 0.20 -0.71 -0.19 0.00 -0.22 0.00 0.00 54.13 53.21 1x53 s LEU 104 Cb -0.17 -2.58 0.12 0.00 0.50 0.00 0.00 46.19 44.06 1x53 s LEU 104 CO 0.14 -1.41 1.00 0.00 -1.32 0.00 0.00 176.35 174.76 1x53 s MET 106 N 2.77 4.66 -0.32 0.00 1.75 0.10 -3.06 119.30 125.19 1x53 s MET 106 Ca 0.26 1.40 -0.01 0.00 -1.25 0.00 0.00 55.69 56.08 1x53 s MET 106 Cb -0.11 -3.38 0.11 0.00 2.84 0.00 0.00 34.83 34.29 1x53 s MET 106 CO -0.03 0.20 0.13 -2.00 -0.65 0.00 0.00 175.02 172.67 1x53 s GLU 107 N 0.09 0.59 -0.09 4.11 2.12 -1.09 -1.42 118.70 123.02 1x53 s GLU 107 Ca 0.46 -1.02 -0.00 0.00 0.36 0.00 0.00 54.97 54.77 1x53 s GLU 107 Cb -0.23 -1.70 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 1x53 s GLU 107 CO 0.29 -1.04 -0.06 0.20 -0.54 0.00 0.00 175.26 174.11 1x53 s GLY 108 N 1.59 1.71 -0.07 -1.50 0.00 -1.10 -1.18 107.32 106.76 1x53 s GLY 108 Ca 0.11 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 43.94 1x53 s GLY 108 CO -0.24 -0.55 0.05 1.09 0.00 0.00 0.00 173.10 173.45 1x53 s ARG 109 N -0.59 0.17 0.00 2.90 1.70 -0.72 -0.05 118.95 122.36 1x53 s ARG 109 Ca 0.09 0.21 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 1x53 s ARG 109 Cb -0.12 -0.88 0.00 0.00 -0.57 0.00 0.00 34.95 33.38 1x53 s ARG 109 CO 0.02 -0.38 0.00 0.41 -1.08 0.00 0.00 175.30 174.27 1x53 n GLY 110 N 5.24 0.29 3.68 3.88 0.00 -0.94 -2.33 105.19 115.01 1x53 n GLY 110 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1x53 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x53 s ILE 111 N -1.09 3.94 -0.27 -0.61 1.09 -0.98 -4.58 121.20 118.71 1x53 s ILE 111 Ca 0.00 1.24 -0.40 0.00 -1.10 0.00 0.00 60.65 60.39 1x53 s ILE 111 Cb 0.00 -3.80 -0.16 0.00 -1.06 0.00 0.00 42.46 37.44 1x53 s ILE 111 CO 0.00 -0.05 1.73 -2.65 -0.10 0.00 0.00 174.94 173.87 1x53 n PRO 112 N 5.95 1.15 -0.27 2.79 -0.02 -1.26 0.31 135.00 143.64 1x53 n PRO 112 Ca 0.14 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 62.08 1x53 n PRO 112 Cb 0.44 -2.10 0.13 0.00 -0.02 0.00 0.00 33.50 31.95 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 7.12 0.67 -0.82 3.55 0.00 -0.70 1.62 119.26 130.70 1x53 h ALA 113 Ca -0.46 0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1x53 h ALA 113 Cb 1.32 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 1x53 h ALA 113 CO 0.96 -0.43 0.53 -1.35 0.00 0.00 0.00 179.25 178.96 1x53 h PRO 114 N 0.04 0.70 -0.03 0.00 0.11 -1.88 -0.79 132.00 130.16 1x53 h PRO 114 Ca 0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1x53 h PRO 114 Cb 0.69 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1x53 h PRO 114 CO -0.76 0.47 -0.12 0.39 -0.21 0.00 0.00 178.00 177.76 1x53 n GLU 115 N -4.52 1.95 -0.36 1.05 1.02 0.10 -4.57 120.64 115.32 1x53 n GLU 115 Ca 0.14 -1.63 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1x53 n GLU 115 Cb 0.35 -1.44 0.06 0.00 -0.02 0.00 0.00 31.44 30.39 1x53 n GLU 115 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1x53 n GLU 116 N 0.94 -0.20 0.05 3.49 2.13 0.51 -0.41 120.64 127.16 1x53 n GLU 116 Ca 0.12 1.46 -0.02 0.00 0.66 0.00 0.00 57.16 59.38 1x53 n GLU 116 Cb 0.54 -2.17 -0.01 0.00 0.27 0.00 0.00 31.44 30.07 1x53 n GLU 116 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x53 h GLU 117 N 0.00 -0.14 -0.64 5.31 4.81 -1.81 -2.92 114.58 119.19 1x53 h GLU 117 Ca 0.35 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.71 1x53 h GLU 117 Cb 0.59 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 1x53 h GLU 117 CO -0.95 -0.09 -0.20 -2.13 -0.73 0.00 0.00 179.01 174.91 1x53 n ARG 118 N -2.56 -0.10 0.02 1.92 0.63 -0.93 -0.16 116.66 115.47 1x53 n ARG 118 Ca -0.02 1.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.90 1x53 n ARG 118 Cb 0.06 -1.49 -0.01 0.00 0.45 0.00 0.00 32.46 31.47 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 -1.10 5.15 2.02 -0.80 0.17 112.91 118.35 1x53 h THR 119 Ca 0.27 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.75 1x53 h THR 119 Cb 0.43 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.75 1x53 h THR 119 CO -0.65 0.00 0.72 -0.09 0.37 0.00 0.00 175.52 175.87 1x53 h ARG 120 N -0.07 0.28 -0.55 6.66 2.43 -0.74 0.83 114.38 123.22 1x53 h ARG 120 Ca -0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1x53 h ARG 120 Cb 0.06 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1x53 h ARG 120 CO -0.01 0.19 -0.10 1.96 -1.51 0.00 0.00 179.97 180.50 1x53 h GLN 121 N 0.29 1.05 -0.44 0.20 4.20 0.03 -3.06 115.11 117.37 1x53 h GLN 121 Ca 0.62 -0.38 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1x53 h GLN 121 Cb 1.77 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.45 1x53 h GLN 121 CO -0.28 1.08 0.05 0.41 -0.67 0.00 0.00 178.83 179.42 1x53 n GLY 122 N -0.27 3.79 0.02 3.46 0.00 0.14 -4.27 105.19 108.06 1x53 n GLY 122 Ca 0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.22 0.16 0.19 1.61 -0.00 0.24 -4.50 117.44 114.92 1x53 n TRP 123 Ca 0.28 0.07 0.04 0.00 -0.00 0.00 0.00 57.50 57.89 1x53 n TRP 123 Cb 1.09 -0.30 0.38 0.00 -0.00 0.00 0.00 31.31 32.49 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 -0.29 0.00 -0.54 5.87 4.20 -1.82 0.16 115.11 122.69 1x53 h GLN 124 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 1x53 h GLN 124 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1x53 h GLN 124 CO 0.00 0.36 0.60 0.00 -0.67 0.00 0.00 178.83 179.12 1x53 h ARG 125 N 0.00 0.00 0.00 1.46 3.08 -1.80 0.32 114.38 117.44 1x53 h ARG 125 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1x53 h ARG 125 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1x53 h ARG 125 CO 0.05 0.00 -1.02 0.66 -1.07 0.00 0.00 179.97 178.58 1x53 n TYR 126 N -3.61 0.00 0.10 3.04 4.01 -1.08 -3.51 117.16 116.11 1x53 n TYR 126 Ca 0.11 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1x53 n TYR 126 Cb 0.80 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.80 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 -0.24 0.00 -0.72 -1.99 -0.55 -3.32 116.97 110.14 1x53 h TYR 127 Ca -0.01 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1x53 h TYR 127 Cb 1.02 0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.83 1x53 h TYR 127 CO 0.00 -0.15 -0.09 1.19 -0.00 0.00 0.00 178.16 179.11 1x53 n PHE 128 N -2.97 0.09 -0.37 4.88 3.72 -0.55 -3.65 117.46 118.60 1x53 n PHE 128 Ca -0.03 0.04 0.30 0.00 -0.05 0.00 0.00 57.45 57.70 1x53 n PHE 128 Cb 0.10 -0.24 0.49 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.64 -0.02 0.00 -1.08 1.02 0.10 -0.23 120.64 117.79 1x53 n GLU 129 Ca -0.01 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1x53 n GLU 129 Cb 0.05 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1x53 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x53 n GLY 130 N -1.43 -0.96 0.34 0.62 0.00 -1.23 -3.33 105.19 99.20 1x53 n GLY 130 Ca 0.28 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.47 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 0.53 -0.31 -0.61 2.04 -1.09 0.78 117.51 118.85 1x53 h ILE 131 Ca 0.00 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1x53 h ILE 131 Cb 0.00 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 1x53 h ILE 131 CO 0.00 0.10 0.24 0.11 0.00 0.00 0.00 178.15 178.61 1x53 h LYS 132 N 0.57 0.00 0.00 2.37 1.57 -0.74 0.16 116.57 120.50 1x53 h LYS 132 Ca 0.64 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.33 1x53 h LYS 132 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1x53 h LYS 132 CO -0.48 0.00 -1.24 1.04 -0.57 0.00 0.00 179.45 178.20 1x53 n GLN 133 N -4.27 0.54 0.07 3.15 1.13 0.22 -1.74 117.38 116.48 1x53 n GLN 133 Ca 0.04 0.25 -0.12 0.00 -1.94 0.00 0.00 57.00 55.23 1x53 n GLN 133 Cb 0.41 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 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 0.28 0.00 5.09 2.02 -0.17 -2.71 112.91 116.42 1x53 h THR 134 Ca -0.13 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 1x53 h THR 134 Cb 1.08 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1x53 h THR 134 CO -0.08 0.00 -0.89 -0.26 0.37 0.00 0.00 175.52 174.66 1x53 h PHE 135 N -0.50 0.00 -1.55 3.16 -1.00 -0.94 -3.49 116.94 112.63 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 0.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1x53 h PHE 135 CO -0.35 0.44 0.00 0.41 -1.61 0.00 0.00 178.31 177.20 1x53 n GLY 136 N 1.28 0.63 1.33 -1.45 0.00 -0.29 -4.98 105.19 101.70 1x53 n GLY 136 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.44 1.49 -3.75 1.61 4.01 -0.71 -4.82 117.16 113.54 1x53 n TYR 137 Ca 0.00 -1.15 -0.23 0.00 -0.16 0.00 0.00 57.90 56.36 1x53 n TYR 137 Cb 0.47 -0.48 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.77 2.24 0.02 2.72 0.00 -1.03 0.16 107.32 109.66 1x53 s GLY 138 Ca 0.47 -1.71 -0.02 0.00 0.00 0.00 0.00 44.72 43.47 1x53 s GLY 138 CO 0.08 -1.82 -0.04 0.00 0.00 0.00 0.00 173.10 171.32 1x53 n ALA 139 N -1.60 2.77 -2.85 3.20 0.00 -1.26 -4.64 120.51 116.13 1x53 n ALA 139 Ca 0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 1x53 n ALA 139 Cb 0.63 0.34 -0.07 0.00 0.00 0.00 0.00 19.45 20.35 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 -5.65 -0.01 0.02 0.00 1.04 -1.26 -5.18 113.70 102.67 1x53 s SER 140 Ca -0.04 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.22 1x53 s SER 140 Cb 0.01 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1x53 s SER 140 CO 0.05 -1.00 0.38 -0.83 0.98 0.00 0.00 173.24 172.82 1x53 s GLY 141 N -3.03 -0.23 0.26 7.32 0.00 -1.26 -5.04 107.32 105.35 1x53 s GLY 141 Ca 0.24 0.30 -0.04 0.00 0.00 0.00 0.00 44.72 45.22 1x53 s GLY 141 CO 0.07 0.06 1.63 -2.55 0.00 0.00 0.00 173.10 172.31 1x53 h PRO 142 N 3.27 0.13 0.00 2.90 0.11 -2.07 -3.26 132.00 133.08 1x53 h PRO 142 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1x53 h PRO 142 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1x53 h PRO 142 CO 0.43 0.08 -0.75 0.43 -0.21 0.00 0.00 178.00 177.99 1x53 n SER 143 N -5.32 1.68 -3.90 -2.05 7.64 -1.26 -5.00 113.62 105.42 1x53 n SER 143 Ca 0.17 0.39 -0.29 0.00 1.01 0.00 0.00 58.87 60.15 1x53 n SER 143 Cb 0.56 -0.75 0.02 0.00 -1.01 0.00 0.00 64.21 63.03 1x53 n SER 143 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x53 n SER 144 N -4.28 -3.71 -0.47 6.43 7.64 -1.23 -5.24 113.62 112.76 1x53 n SER 144 Ca -0.10 -0.82 0.06 0.00 1.01 0.00 0.00 58.87 59.02 1x53 n SER 144 Cb 0.39 -3.79 0.05 0.00 -1.01 0.00 0.00 64.21 59.85 1x53 n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64