#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d32 s LYS 4 N 0.00 4.37 -0.02 0.03 -0.14 -1.26 -5.06 119.74 117.66 3d32 s LYS 4 Ca 0.00 0.90 0.01 0.00 -1.36 0.00 0.00 55.97 55.52 3d32 s LYS 4 Cb 0.00 -3.50 0.01 0.00 -1.68 0.00 0.00 37.83 32.66 3d32 s LYS 4 CO 0.00 -0.10 -0.03 -0.06 -0.76 0.00 0.00 175.35 174.40 3d32 s PHE 5 N 1.36 0.42 0.39 3.18 0.40 -1.26 -5.03 117.98 117.44 3d32 s PHE 5 Ca 0.37 -0.07 0.10 0.00 -0.60 0.00 0.00 56.93 56.73 3d32 s PHE 5 Cb -0.17 -0.37 0.87 0.00 0.51 0.00 0.00 43.02 43.86 3d32 s PHE 5 CO 0.16 -0.08 1.94 0.28 0.70 0.00 0.00 175.22 178.22 3d32 h VAL 6 N 5.62 0.91 -0.75 -0.44 2.07 -1.97 -1.58 116.25 120.12 3d32 h VAL 6 Ca -0.34 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3d32 h VAL 6 Cb 1.17 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3d32 h VAL 6 CO 0.49 0.11 0.45 0.22 0.02 0.00 0.00 177.57 178.86 3d32 h TYR 7 N 0.61 0.98 -0.40 1.57 5.03 -1.97 0.14 116.97 122.93 3d32 h TYR 7 Ca 0.35 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.60 3d32 h TYR 7 Cb 0.53 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 3d32 h TYR 7 CO -0.00 0.66 0.04 0.87 -1.32 0.00 0.00 178.16 178.41 3d32 h LYS 8 N 1.02 0.68 -0.80 1.82 1.57 -1.62 -2.53 116.57 116.71 3d32 h LYS 8 Ca 0.27 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3d32 h LYS 8 Cb -0.04 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 3d32 h LYS 8 CO -0.05 0.75 0.52 0.93 -0.57 0.00 0.00 179.45 181.03 3d32 h GLU 9 N 0.52 0.81 -0.16 3.15 4.39 -0.56 -3.08 114.58 119.65 3d32 h GLU 9 Ca 0.12 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3d32 h GLU 9 Cb 0.41 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3d32 h GLU 9 CO 0.01 0.54 0.00 0.39 -1.16 0.00 0.00 179.01 178.79 3d32 n GLU 10 N -4.49 2.37 -4.14 2.33 -0.58 -0.05 -4.85 120.64 111.24 3d32 n GLU 10 Ca 0.12 -2.02 -0.23 0.00 -0.42 0.00 0.00 57.16 54.61 3d32 n GLU 10 Cb 0.25 -1.48 -0.17 0.00 -0.57 0.00 0.00 31.44 29.47 3d32 n GLU 10 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3d32 s HIS 11 N -1.82 1.07 0.46 -0.32 3.76 -0.96 -5.06 115.29 112.41 3d32 s HIS 11 Ca 0.32 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.59 3d32 s HIS 11 Cb 0.21 -0.91 -0.08 0.00 1.11 0.00 0.00 32.58 32.91 3d32 s HIS 11 CO 0.31 -0.31 1.35 -1.25 -0.85 0.00 0.00 174.74 173.99 3d32 s PRO 12 N 1.22 3.65 0.20 8.40 0.04 -1.26 -4.78 135.00 142.47 3d32 s PRO 12 Ca -0.06 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 3d32 s PRO 12 Cb -0.14 -2.57 0.22 0.00 0.04 0.00 0.00 34.50 32.05 3d32 s PRO 12 CO -0.02 -0.78 1.68 0.35 0.04 0.00 0.00 177.00 178.27 3d32 h PHE 13 N 2.21 -0.01 -0.40 0.56 3.57 -1.99 -1.99 116.94 118.90 3d32 h PHE 13 Ca -0.50 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 3d32 h PHE 13 Cb 1.27 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 3d32 h PHE 13 CO 0.50 -0.11 0.06 1.49 -2.23 0.00 0.00 178.31 178.02 3d32 h GLU 14 N 0.13 0.60 -0.53 1.11 4.57 -1.99 0.90 114.58 119.38 3d32 h GLU 14 Ca 0.27 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3d32 h GLU 14 Cb 0.42 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3d32 h GLU 14 CO -0.44 0.58 0.03 -0.22 -1.18 0.00 0.00 179.01 177.78 3d32 h LYS 15 N 0.58 0.87 0.03 1.92 1.63 -1.75 -0.78 116.57 119.08 3d32 h LYS 15 Ca 0.13 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3d32 h LYS 15 Cb 0.28 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3d32 h LYS 15 CO 0.00 0.85 -0.01 0.00 -3.45 0.00 0.00 179.45 176.84 3d32 h ARG 16 N 0.81 -0.04 -0.29 1.90 3.08 -0.95 -3.08 114.38 115.81 3d32 h ARG 16 Ca 0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3d32 h ARG 16 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3d32 h ARG 16 CO 0.02 0.38 0.18 -0.09 -1.07 0.00 0.00 179.97 179.38 3d32 h ARG 17 N -0.46 0.40 -0.64 0.04 2.43 -0.75 0.83 114.38 116.24 3d32 h ARG 17 Ca -0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3d32 h ARG 17 Cb 0.43 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3d32 h ARG 17 CO 0.01 0.31 0.22 0.66 -1.51 0.00 0.00 179.97 179.65 3d32 h SER 18 N 0.38 0.88 -0.07 -3.80 4.64 -1.25 -0.41 113.55 113.92 3d32 h SER 18 Ca 0.11 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 3d32 h SER 18 Cb 0.01 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3d32 h SER 18 CO -0.02 0.82 -0.18 -0.08 -0.87 0.00 0.00 176.83 176.49 3d32 h GLU 19 N 0.93 0.24 -0.68 4.77 4.81 -1.40 -2.71 114.58 120.55 3d32 h GLU 19 Ca 0.21 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3d32 h GLU 19 Cb 0.24 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3d32 h GLU 19 CO -0.01 0.78 0.45 0.78 -0.73 0.00 0.00 179.01 180.28 3d32 h GLY 20 N -0.26 0.95 0.98 1.92 0.00 -0.66 -1.25 103.07 104.75 3d32 h GLY 20 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3d32 h GLY 20 CO 0.04 0.34 0.26 -2.09 0.00 0.00 0.00 176.54 175.09 3d32 h GLU 21 N 0.91 0.69 -0.49 4.80 4.81 -1.15 -1.10 114.58 123.04 3d32 h GLU 21 Ca 0.25 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3d32 h GLU 21 Cb -0.10 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 3d32 h GLU 21 CO -0.06 0.55 0.30 -0.22 -0.73 0.00 0.00 179.01 178.85 3d32 h LYS 22 N 0.65 0.58 -0.25 1.92 3.64 -1.11 -2.01 116.57 119.99 3d32 h LYS 22 Ca 0.17 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.36 3d32 h LYS 22 Cb 0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3d32 h LYS 22 CO -0.03 0.38 -0.49 0.82 -2.27 0.00 0.00 179.45 177.87 3d32 h ILE 23 N 0.59 1.30 -0.71 2.00 1.08 -1.09 -1.21 117.51 119.48 3d32 h ILE 23 Ca 0.20 -1.69 -0.01 0.00 -0.39 0.00 0.00 64.86 62.96 3d32 h ILE 23 Cb 0.01 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 3d32 h ILE 23 CO -0.09 0.54 0.39 0.03 -0.69 0.00 0.00 178.15 178.33 3d32 h ARG 24 N 0.53 0.98 -0.14 2.37 2.47 -0.98 -0.42 114.38 119.18 3d32 h ARG 24 Ca 0.03 -0.11 -0.20 0.00 -1.26 0.00 0.00 59.98 58.44 3d32 h ARG 24 Cb 1.04 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 29.17 3d32 h ARG 24 CO 0.10 0.72 -0.70 0.87 0.56 0.00 0.00 179.97 181.51 3d32 h LYS 25 N 0.99 0.73 -0.08 0.04 1.57 -1.18 -3.24 116.57 115.40 3d32 h LYS 25 Ca 0.25 -0.59 -0.20 0.00 -1.87 0.00 0.00 60.65 58.24 3d32 h LYS 25 Cb 0.03 0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3d32 h LYS 25 CO -0.04 1.20 -0.72 -0.22 -0.57 0.00 0.00 179.45 179.11 3d32 h LYS 26 N 0.43 0.62 -2.15 3.15 1.63 -0.98 -3.37 116.57 115.90 3d32 h LYS 26 Ca -0.05 -0.56 -0.59 0.00 -0.85 0.00 0.00 60.65 58.60 3d32 h LYS 26 Cb 1.34 0.14 -0.41 0.00 -0.60 0.00 0.00 32.23 32.69 3d32 h LYS 26 CO 0.15 1.18 -0.73 0.66 -3.45 0.00 0.00 179.45 177.25 3d32 n TYR 27 N -4.07 2.66 0.32 1.91 4.01 -0.19 -4.96 117.16 116.85 3d32 n TYR 27 Ca -0.09 -4.00 0.12 0.00 -0.16 0.00 0.00 57.90 53.78 3d32 n TYR 27 Cb 0.72 -0.50 0.56 0.00 -0.31 0.00 0.00 39.34 39.81 3d32 n TYR 27 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3d32 h PRO 28 N 4.01 0.00 -0.67 -0.72 0.13 -1.73 -1.58 132.00 131.43 3d32 h PRO 28 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3d32 h PRO 28 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3d32 h PRO 28 CO 0.74 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.26 3d32 n ASP 29 N -2.34 4.09 -4.57 1.44 8.00 -1.26 -4.89 116.55 117.02 3d32 n ASP 29 Ca 0.01 -2.14 -0.24 0.00 0.71 0.00 0.00 54.79 53.13 3d32 n ASP 29 Cb 0.17 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 3d32 n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3d32 s ARG 30 N -1.25 2.03 -0.17 -1.24 0.52 -0.60 -2.10 118.95 116.13 3d32 s ARG 30 Ca 0.47 -1.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 3d32 s ARG 30 Cb 0.27 -2.03 0.01 0.00 0.52 0.00 0.00 34.95 33.72 3d32 s ARG 30 CO 0.29 0.37 -0.18 0.08 0.02 0.00 0.00 175.30 175.88 3d32 s VAL 31 N -2.21 2.26 -0.14 3.52 1.01 0.13 -4.84 120.40 120.13 3d32 s VAL 31 Ca 0.29 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3d32 s VAL 31 Cb -0.07 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 3d32 s VAL 31 CO 0.17 0.53 0.99 -2.16 0.00 0.00 0.00 175.10 174.62 3d32 s PRO 32 N 1.18 4.38 0.07 2.72 0.04 -1.26 -1.24 135.00 140.88 3d32 s PRO 32 Ca 0.02 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.44 3d32 s PRO 32 Cb -0.14 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 3d32 s PRO 32 CO -0.09 -0.37 -0.15 0.14 0.04 0.00 0.00 177.00 176.57 3d32 s VAL 33 N 2.24 1.19 -0.20 -0.36 -7.23 -0.29 -1.74 120.40 113.99 3d32 s VAL 33 Ca 0.46 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.29 3d32 s VAL 33 Cb -0.17 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 3d32 s VAL 33 CO 0.15 -0.18 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.13 3d32 s ILE 34 N -1.21 3.85 -0.21 -0.62 -1.09 0.32 -1.33 121.20 120.91 3d32 s ILE 34 Ca -0.01 -0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 58.06 3d32 s ILE 34 Cb -0.10 -2.74 0.02 0.00 -1.58 0.00 0.00 42.46 38.06 3d32 s ILE 34 CO 0.02 0.43 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.34 3d32 s VAL 35 N 1.07 2.52 0.00 2.92 1.01 0.32 -0.42 120.40 127.82 3d32 s VAL 35 Ca 0.02 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3d32 s VAL 35 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3d32 s VAL 35 CO 0.01 0.37 -0.10 -0.70 0.00 0.00 0.00 175.10 174.69 3d32 s GLU 36 N 1.31 0.74 0.40 2.72 2.12 -0.18 -4.45 118.70 121.38 3d32 s GLU 36 Ca 0.02 -0.40 -0.26 0.00 0.36 0.00 0.00 54.97 54.70 3d32 s GLU 36 Cb -0.15 -0.71 -0.09 0.00 0.26 0.00 0.00 34.13 33.45 3d32 s GLU 36 CO -0.08 0.19 1.25 0.21 -0.54 0.00 0.00 175.26 176.28 3d32 s LYS 37 N -0.41 4.01 0.28 4.30 2.20 -1.26 -1.18 119.74 127.67 3d32 s LYS 37 Ca 0.02 2.03 -0.29 0.00 -0.36 0.00 0.00 55.97 57.37 3d32 s LYS 37 Cb -0.04 -2.73 -0.10 0.00 -1.51 0.00 0.00 37.83 33.45 3d32 s LYS 37 CO -0.00 -0.42 1.29 0.00 -0.36 0.00 0.00 175.35 175.86 3d32 s ALA 38 N -1.32 3.50 0.20 3.13 0.00 0.07 -4.79 121.76 122.56 3d32 s ALA 38 Ca 0.57 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.60 3d32 s ALA 38 Cb -0.35 -3.46 0.27 0.00 0.00 0.00 0.00 23.12 19.58 3d32 s ALA 38 CO 0.45 -0.55 1.72 -1.00 0.00 0.00 0.00 175.76 176.38 3d32 h PRO 39 N 4.18 0.30 -0.01 0.00 0.13 -1.95 -2.41 132.00 132.25 3d32 h PRO 39 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3d32 h PRO 39 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3d32 h PRO 39 CO 0.70 0.20 -0.07 1.63 -0.23 0.00 0.00 178.00 180.23 3d32 n LYS 40 N -5.08 1.00 -1.91 0.86 5.02 -1.26 -4.86 118.16 111.93 3d32 n LYS 40 Ca 0.08 -0.38 -0.42 0.00 -2.02 0.00 0.00 58.31 55.58 3d32 n LYS 40 Cb 0.29 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3d32 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d32 s ALA 41 N -2.26 3.71 -2.17 7.82 0.00 -0.91 -4.87 121.76 123.08 3d32 s ALA 41 Ca 0.35 1.43 0.18 0.00 0.00 0.00 0.00 51.96 53.91 3d32 s ALA 41 Cb 0.21 -3.61 0.52 0.00 0.00 0.00 0.00 23.12 20.24 3d32 s ALA 41 CO 0.42 -0.83 1.42 0.54 0.00 0.00 0.00 175.76 177.31 3d32 n ARG 42 N 2.73 2.06 -1.90 0.00 1.74 -1.26 -4.93 116.66 115.10 3d32 n ARG 42 Ca 0.09 -1.62 -0.34 0.00 -0.77 0.00 0.00 57.85 55.22 3d32 n ARG 42 Cb 0.39 -1.40 0.03 0.00 -1.02 0.00 0.00 32.46 30.46 3d32 n ARG 42 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3d32 s ILE 43 N -1.52 3.21 0.62 0.55 2.07 -1.26 -5.00 121.20 119.87 3d32 s ILE 43 Ca 0.33 0.62 -0.19 0.00 -1.41 0.00 0.00 60.65 60.00 3d32 s ILE 43 Cb 0.18 -3.15 -0.02 0.00 0.13 0.00 0.00 42.46 39.59 3d32 s ILE 43 CO 0.25 -0.30 1.27 -0.83 -1.91 0.00 0.00 174.94 173.42 3d32 s GLY 44 N -2.34 2.83 0.40 1.50 0.00 -1.26 -5.01 107.32 103.43 3d32 s GLY 44 Ca 0.69 1.16 -0.23 0.00 0.00 0.00 0.00 44.72 46.33 3d32 s GLY 44 CO 0.37 1.59 1.01 0.99 0.00 0.00 0.00 173.10 177.05 3d32 s ASP 45 N -1.42 6.86 0.18 1.64 1.01 -1.26 -5.03 116.67 118.66 3d32 s ASP 45 Ca 0.80 1.91 -0.10 0.00 0.71 0.00 0.00 52.55 55.87 3d32 s ASP 45 Cb -0.36 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 40.94 3d32 s ASP 45 CO 0.38 -0.41 0.51 -0.76 0.21 0.00 0.00 175.17 175.10 3d32 s LEU 46 N -2.74 4.24 0.21 1.23 1.43 -1.26 -5.00 118.68 116.80 3d32 s LEU 46 Ca 0.58 0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 54.50 3d32 s LEU 46 Cb -0.18 -3.45 0.18 0.00 0.03 0.00 0.00 46.19 42.77 3d32 s LEU 46 CO 0.23 0.01 1.87 0.44 0.23 0.00 0.00 176.35 179.14 3d32 h ASP 47 N 2.98 0.84 -2.91 2.29 3.32 -2.00 -3.44 116.42 117.50 3d32 h ASP 47 Ca -0.47 -0.01 -0.62 0.00 0.02 0.00 0.00 57.03 55.94 3d32 h ASP 47 Cb 1.18 -0.20 -0.15 0.00 0.22 0.00 0.00 39.33 40.38 3d32 h ASP 47 CO 0.68 0.60 -0.74 -0.54 -1.72 0.00 0.00 179.24 177.52 3d32 s LYS 48 N -6.13 1.93 -0.12 3.56 1.02 -1.26 -5.04 119.74 113.71 3d32 s LYS 48 Ca -0.13 -1.38 0.14 0.00 0.02 0.00 0.00 55.97 54.62 3d32 s LYS 48 Cb 0.15 -2.06 -0.21 0.00 -0.52 0.00 0.00 37.83 35.20 3d32 s LYS 48 CO 0.78 0.41 0.13 1.63 -0.92 0.00 0.00 175.35 177.39 3d32 n LYS 49 N -0.05 1.25 -3.65 1.68 5.02 -1.26 -4.88 118.16 116.26 3d32 n LYS 49 Ca -0.10 -0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.78 3d32 n LYS 49 Cb 0.56 -1.39 -0.10 0.00 -0.02 0.00 0.00 35.03 34.09 3d32 n LYS 49 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3d32 s LYS 50 N -2.57 4.06 0.11 1.97 2.20 -1.26 -0.52 119.74 123.72 3d32 s LYS 50 Ca -0.07 -0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.31 3d32 s LYS 50 Cb 0.06 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3d32 s LYS 50 CO 0.64 0.04 -0.11 0.71 -0.36 0.00 0.00 175.35 176.26 3d32 s TYR 51 N 1.13 1.19 -0.23 4.03 2.02 -0.44 -5.02 117.35 120.03 3d32 s TYR 51 Ca 0.07 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 3d32 s TYR 51 Cb -0.14 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.84 3d32 s TYR 51 CO 0.05 0.05 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.85 3d32 s LEU 52 N -2.49 2.48 0.22 -1.29 2.96 -1.26 -1.14 118.68 118.15 3d32 s LEU 52 Ca 0.07 -1.11 0.11 0.00 -0.22 0.00 0.00 54.13 52.99 3d32 s LEU 52 Cb -0.03 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 3d32 s LEU 52 CO 0.01 -0.22 -0.22 0.68 -1.32 0.00 0.00 176.35 175.28 3d32 s VAL 53 N 1.41 2.44 0.36 1.68 -7.23 -0.37 -4.83 120.40 113.86 3d32 s VAL 53 Ca -0.05 -2.14 -0.28 0.00 -1.81 0.00 0.00 61.98 57.70 3d32 s VAL 53 Cb -0.18 -2.21 -0.11 0.00 0.56 0.00 0.00 36.38 34.44 3d32 s VAL 53 CO -0.07 -0.21 1.41 -2.84 -0.31 0.00 0.00 175.10 173.08 3d32 s PRO 54 N -2.97 4.19 0.44 4.82 0.02 -1.26 0.17 135.00 140.42 3d32 s PRO 54 Ca 0.24 2.41 0.10 0.00 0.02 0.00 0.00 61.00 63.77 3d32 s PRO 54 Cb -0.07 -2.99 0.98 0.00 0.02 0.00 0.00 34.50 32.44 3d32 s PRO 54 CO 0.12 -0.40 2.06 0.77 -0.33 0.00 0.00 177.00 179.22 3d32 h SER 55 N 3.13 0.35 -0.07 2.53 0.02 -1.75 -2.29 113.55 115.47 3d32 h SER 55 Ca -0.50 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3d32 h SER 55 Cb 1.23 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3d32 h SER 55 CO 0.64 0.25 0.00 -0.90 -1.14 0.00 0.00 176.83 175.68 3d32 n ASP 56 N -4.48 1.63 -4.72 3.07 5.68 -1.26 -0.34 116.55 116.13 3d32 n ASP 56 Ca 0.03 -1.59 -0.42 0.00 -0.50 0.00 0.00 54.79 52.31 3d32 n ASP 56 Cb 0.14 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.05 3d32 n ASP 56 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3d32 s LEU 57 N -1.85 4.37 0.41 -2.12 2.96 -0.86 -4.78 118.68 116.80 3d32 s LEU 57 Ca 0.36 2.58 -0.08 0.00 -0.22 0.00 0.00 54.13 56.77 3d32 s LEU 57 Cb 0.20 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 3d32 s LEU 57 CO 0.31 -0.81 0.74 0.42 -1.32 0.00 0.00 176.35 175.70 3d32 s THR 58 N 1.18 4.86 0.22 3.68 -4.23 -1.26 -0.85 115.64 119.23 3d32 s THR 58 Ca 0.69 0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 61.53 3d32 s THR 58 Cb -0.43 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 69.81 3d32 s THR 58 CO 0.31 -0.59 1.75 0.58 -0.54 0.00 0.00 174.62 176.14 3d32 h VAL 59 N 0.87 0.78 -0.98 2.29 2.07 -0.77 -0.94 116.25 119.58 3d32 h VAL 59 Ca -0.47 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3d32 h VAL 59 Cb 1.19 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3d32 h VAL 59 CO 0.63 0.09 0.63 1.23 0.02 0.00 0.00 177.57 180.17 3d32 h GLY 60 N 0.48 1.39 1.43 2.17 0.00 -1.31 0.12 103.07 107.36 3d32 h GLY 60 Ca 0.34 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 3d32 h GLY 60 CO -0.31 0.53 -0.51 -1.61 0.00 0.00 0.00 176.54 174.64 3d32 h GLN 61 N 1.34 0.60 -0.70 4.80 4.15 -1.68 -2.34 115.11 121.28 3d32 h GLN 61 Ca 0.36 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3d32 h GLN 61 Cb -0.12 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3d32 h GLN 61 CO -0.07 0.97 0.42 0.35 -1.93 0.00 0.00 178.83 178.57 3d32 h PHE 62 N 0.47 0.92 -0.28 3.99 3.04 -0.46 -0.56 116.94 124.06 3d32 h PHE 62 Ca 0.02 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.03 3d32 h PHE 62 Cb 1.05 -0.30 -0.06 0.00 2.56 0.00 0.00 35.95 39.20 3d32 h PHE 62 CO 0.05 0.62 -0.10 1.88 -2.02 0.00 0.00 178.31 178.74 3d32 h TYR 63 N 0.95 -0.22 -0.56 0.41 0.05 -0.67 -0.72 116.97 116.22 3d32 h TYR 63 Ca 0.25 0.03 0.08 0.00 0.05 0.00 0.00 58.73 59.13 3d32 h TYR 63 Cb -0.03 0.14 -0.06 0.00 1.01 0.00 0.00 36.73 37.79 3d32 h TYR 63 CO -0.01 -0.15 0.22 0.35 -1.05 0.00 0.00 178.16 177.52 3d32 h PHE 64 N -0.04 0.40 -0.65 4.88 3.57 -0.85 -0.03 116.94 124.21 3d32 h PHE 64 Ca 0.14 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 3d32 h PHE 64 Cb 0.25 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3d32 h PHE 64 CO -0.30 0.13 0.11 -0.07 -2.23 0.00 0.00 178.31 175.95 3d32 h LEU 65 N 0.42 1.02 -0.41 0.59 3.38 -0.62 -1.77 115.31 117.92 3d32 h LEU 65 Ca 0.27 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3d32 h LEU 65 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3d32 h LEU 65 CO -0.26 1.01 0.07 0.40 0.09 0.00 0.00 178.44 179.75 3d32 h ILE 66 N 1.00 1.24 -0.62 1.22 2.04 -0.79 -0.42 117.51 121.18 3d32 h ILE 66 Ca 0.20 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.21 3d32 h ILE 66 Cb 0.42 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3d32 h ILE 66 CO 0.01 0.30 0.41 0.03 0.00 0.00 0.00 178.15 178.90 3d32 h ARG 67 N 0.53 0.73 -0.02 2.37 3.08 -0.77 -1.85 114.38 118.46 3d32 h ARG 67 Ca 0.12 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3d32 h ARG 67 Cb 0.37 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3d32 h ARG 67 CO 0.01 0.49 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.11 3d32 h LYS 68 N 0.76 0.08 -0.82 0.04 3.64 -1.16 0.12 116.57 119.23 3d32 h LYS 68 Ca 0.24 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 3d32 h LYS 68 Cb 0.04 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 3d32 h LYS 68 CO -0.06 0.68 0.48 -0.09 -2.27 0.00 0.00 179.45 178.19 3d32 h ARG 69 N -0.50 0.81 -0.34 1.90 9.65 -0.70 -2.58 114.38 122.61 3d32 h ARG 69 Ca -0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3d32 h ARG 69 Cb 0.69 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3d32 h ARG 69 CO 0.01 0.53 0.00 0.44 2.80 0.00 0.00 179.97 183.76 3d32 n ILE 70 N -4.71 1.69 -3.50 1.20 -5.35 -0.73 -4.98 119.36 102.98 3d32 n ILE 70 Ca 0.13 -1.43 -0.19 0.00 -0.27 0.00 0.00 62.75 60.99 3d32 n ILE 70 Cb 0.24 0.11 0.08 0.00 -1.74 0.00 0.00 39.64 38.33 3d32 n ILE 70 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3d32 n HIS 71 N 0.10 -2.34 -2.81 4.28 8.25 -0.78 -4.94 115.22 116.98 3d32 n HIS 71 Ca 0.17 0.95 -0.40 0.00 -0.26 0.00 0.00 57.72 58.18 3d32 n HIS 71 Cb 0.69 -5.01 -0.05 0.00 1.12 0.00 0.00 29.99 26.74 3d32 n HIS 71 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3d32 s LEU 72 N -6.62 4.54 0.47 2.41 0.20 0.36 -5.01 118.68 115.03 3d32 s LEU 72 Ca 0.15 1.75 -0.24 0.00 0.69 0.00 0.00 54.13 56.48 3d32 s LEU 72 Cb -0.07 -3.49 -0.07 0.00 -0.43 0.00 0.00 46.19 42.13 3d32 s LEU 72 CO 0.74 0.05 1.32 -0.13 -0.29 0.00 0.00 176.35 178.04 3d32 s ARG 73 N -0.48 3.60 0.26 1.98 0.52 -1.26 -4.81 118.95 118.77 3d32 s ARG 73 Ca 0.42 2.18 -0.30 0.00 -0.52 0.00 0.00 55.73 57.51 3d32 s ARG 73 Cb -0.23 -2.51 -0.14 0.00 0.52 0.00 0.00 34.95 32.58 3d32 s ARG 73 CO 0.29 -0.80 1.19 0.00 0.02 0.00 0.00 175.30 175.99 3d32 n ALA 74 N -0.42 0.26 -1.07 2.13 0.00 -1.26 -1.64 120.51 118.51 3d32 n ALA 74 Ca 0.07 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.88 3d32 n ALA 74 Cb 0.44 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.76 3d32 n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d32 n GLU 75 N 1.20 -1.09 -1.97 0.00 -0.58 -1.26 -4.92 120.64 112.02 3d32 n GLU 75 Ca 0.10 0.19 -0.37 0.00 -0.42 0.00 0.00 57.16 56.66 3d32 n GLU 75 Cb 0.31 -4.22 0.03 0.00 -0.57 0.00 0.00 31.44 26.99 3d32 n GLU 75 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3d32 s ASP 76 N -1.25 5.37 0.34 1.62 1.11 -0.65 -4.97 116.67 118.24 3d32 s ASP 76 Ca 0.00 2.51 -0.27 0.00 0.18 0.00 0.00 52.55 54.97 3d32 s ASP 76 Cb 0.00 -2.61 -0.09 0.00 1.07 0.00 0.00 42.92 41.28 3d32 s ASP 76 CO 0.00 -1.48 1.11 0.00 1.18 0.00 0.00 175.17 175.98 3d32 s ALA 77 N -1.47 3.28 -0.17 5.23 0.00 -1.26 -4.94 121.76 122.42 3d32 s ALA 77 Ca 0.73 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 53.49 3d32 s ALA 77 Cb -0.34 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.52 3d32 s ALA 77 CO 0.39 -0.28 0.39 -1.17 0.00 0.00 0.00 175.76 175.09 3d32 s LEU 78 N -1.99 -0.30 0.04 0.00 2.96 -1.26 -4.46 118.68 113.68 3d32 s LEU 78 Ca 0.51 0.89 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 3d32 s LEU 78 Cb -0.30 1.27 -0.02 0.00 0.50 0.00 0.00 46.19 47.64 3d32 s LEU 78 CO 0.38 -0.21 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.71 3d32 s PHE 79 N 1.95 1.12 0.10 5.38 0.08 -0.16 -4.98 117.98 121.47 3d32 s PHE 79 Ca -0.06 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.62 3d32 s PHE 79 Cb -0.10 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 3d32 s PHE 79 CO -0.12 0.02 0.26 -0.06 -0.10 0.00 0.00 175.22 175.22 3d32 s PHE 80 N -0.95 3.50 -0.07 0.36 0.08 -1.26 -1.31 117.98 118.34 3d32 s PHE 80 Ca -0.00 0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.31 3d32 s PHE 80 Cb -0.08 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 3d32 s PHE 80 CO 0.01 0.54 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.51 3d32 s PHE 81 N -1.61 1.36 -0.15 0.36 0.40 0.62 -4.08 117.98 114.88 3d32 s PHE 81 Ca 0.36 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 3d32 s PHE 81 Cb -0.12 -1.02 0.02 0.00 0.51 0.00 0.00 43.02 42.40 3d32 s PHE 81 CO 0.28 -0.28 -0.18 0.08 0.70 0.00 0.00 175.22 175.82 3d32 s VAL 82 N 0.78 1.82 -1.54 -0.44 1.01 -0.14 -1.44 120.40 120.44 3d32 s VAL 82 Ca -0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3d32 s VAL 82 Cb -0.15 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3d32 s VAL 82 CO 0.02 0.50 0.07 0.59 0.00 0.00 0.00 175.10 176.28 3d32 n ASN 83 N 4.41 0.72 -1.13 3.32 5.03 -1.26 -1.35 115.26 125.00 3d32 n ASN 83 Ca -0.19 -1.25 -0.15 0.00 0.87 0.00 0.00 54.58 53.86 3d32 n ASN 83 Cb 0.51 -1.76 -0.06 0.00 -1.02 0.00 0.00 39.78 37.44 3d32 n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3d32 n ASN 84 N -2.89 -4.91 -4.22 6.41 5.15 -1.26 -5.00 115.26 108.54 3d32 n ASN 84 Ca -0.31 0.37 -0.30 0.00 -0.60 0.00 0.00 54.58 53.73 3d32 n ASN 84 Cb 0.69 -3.72 -0.16 0.00 -0.53 0.00 0.00 39.78 36.06 3d32 n ASN 84 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3d32 s VAL 85 N -2.50 1.85 -0.34 3.44 1.01 -0.46 -5.00 120.40 118.39 3d32 s VAL 85 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3d32 s VAL 85 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.82 3d32 s VAL 85 CO 0.00 0.52 1.18 -0.63 0.00 0.00 0.00 175.10 176.16 3d32 s ILE 86 N -0.08 4.31 0.63 2.22 1.01 -1.26 -0.97 121.20 127.06 3d32 s ILE 86 Ca -0.04 1.46 -0.15 0.00 0.00 0.00 0.00 60.65 61.92 3d32 s ILE 86 Cb -0.13 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 37.97 3d32 s ILE 86 CO 0.03 -0.58 1.09 -2.16 0.00 0.00 0.00 174.94 173.32 3d32 s PRO 87 N 4.02 3.05 0.73 2.79 0.04 -1.26 -5.01 135.00 139.36 3d32 s PRO 87 Ca 0.50 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 3d32 s PRO 87 Cb -0.13 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3d32 s PRO 87 CO 0.22 -1.04 1.16 -1.25 0.04 0.00 0.00 177.00 176.12 3d32 s PRO 88 N -4.06 2.26 0.59 0.56 0.04 -1.26 -4.90 135.00 128.23 3d32 s PRO 88 Ca 0.66 1.56 0.30 0.00 0.04 0.00 0.00 61.00 63.56 3d32 s PRO 88 Cb -0.19 -1.87 1.84 0.00 0.04 0.00 0.00 34.50 34.32 3d32 s PRO 88 CO 0.39 -1.70 2.26 1.79 0.04 0.00 0.00 177.00 179.78 3d32 h THR 89 N -0.42 0.52 -0.00 1.26 1.35 -1.94 -1.93 112.91 111.74 3d32 h THR 89 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3d32 h THR 89 Cb 1.27 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3d32 h THR 89 CO 0.50 0.00 -0.05 -1.20 -0.25 0.00 0.00 175.52 174.52 3d32 n SER 90 N -3.83 0.36 -4.76 5.36 7.64 -1.26 -0.92 113.62 116.20 3d32 n SER 90 Ca -0.03 -0.68 -0.40 0.00 1.01 0.00 0.00 58.87 58.77 3d32 n SER 90 Cb 0.08 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 3d32 n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d32 s ALA 91 N -2.34 3.43 0.28 -0.43 0.00 -0.73 -4.82 121.76 117.15 3d32 s ALA 91 Ca 0.34 1.05 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 3d32 s ALA 91 Cb 0.21 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3d32 s ALA 91 CO 0.43 -0.38 0.47 0.95 0.00 0.00 0.00 175.76 177.24 3d32 s THR 92 N -1.17 5.15 0.28 0.00 -4.23 -1.26 -0.72 115.64 113.69 3d32 s THR 92 Ca 0.47 -0.43 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 3d32 s THR 92 Cb -0.35 -3.80 0.26 0.00 1.34 0.00 0.00 72.50 69.95 3d32 s THR 92 CO 0.46 -0.37 1.96 0.24 -0.54 0.00 0.00 174.62 176.36 3d32 h MET 93 N 1.33 1.16 -0.58 3.99 0.00 -0.97 -1.51 114.93 118.35 3d32 h MET 93 Ca -0.49 -0.07 0.00 0.00 0.00 0.00 0.00 59.70 59.14 3d32 h MET 93 Cb 1.21 -0.26 -0.03 0.00 0.00 0.00 0.00 31.60 32.52 3d32 h MET 93 CO 0.64 0.77 0.37 0.78 0.00 0.00 0.00 176.91 179.47 3d32 h GLY 94 N 1.20 0.84 0.89 8.32 0.00 -0.93 0.83 103.07 114.22 3d32 h GLY 94 Ca 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3d32 h GLY 94 CO -0.07 0.32 0.08 1.46 0.00 0.00 0.00 176.54 178.33 3d32 h GLN 95 N 0.79 0.30 -0.81 4.80 4.20 -1.70 -0.98 115.11 121.71 3d32 h GLN 95 Ca 0.21 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3d32 h GLN 95 Cb -0.05 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 3d32 h GLN 95 CO -0.04 0.36 0.38 -0.07 -0.67 0.00 0.00 178.83 178.79 3d32 h LEU 96 N 0.17 1.07 -0.19 1.46 3.38 -1.11 -2.10 115.31 117.99 3d32 h LEU 96 Ca 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3d32 h LEU 96 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3d32 h LEU 96 CO -0.01 0.91 0.08 0.22 0.09 0.00 0.00 178.44 179.73 3d32 h TYR 97 N 1.16 0.27 -0.64 1.13 5.03 -0.65 0.94 116.97 124.22 3d32 h TYR 97 Ca 0.28 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.64 3d32 h TYR 97 Cb 0.13 -0.08 -0.06 0.00 1.55 0.00 0.00 36.73 38.27 3d32 h TYR 97 CO 0.02 0.31 0.32 0.37 -1.32 0.00 0.00 178.16 177.86 3d32 h GLN 98 N 0.16 0.56 0.05 1.82 -0.00 -0.90 -0.35 115.11 116.46 3d32 h GLN 98 Ca 0.06 -0.03 -0.25 0.00 -0.00 0.00 0.00 58.65 58.43 3d32 h GLN 98 Cb 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 27.48 27.51 3d32 h GLN 98 CO -0.01 0.37 -1.07 0.93 0.00 0.00 0.00 178.83 179.06 3d32 h GLU 99 N 0.58 0.39 0.00 1.69 5.08 -1.21 -3.40 114.58 117.71 3d32 h GLU 99 Ca 0.30 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3d32 h GLU 99 Cb 0.26 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3d32 h GLU 99 CO -0.22 1.17 0.00 0.72 -1.00 0.00 0.00 179.01 179.68 3d32 n HIS 100 N -3.69 0.00 -1.70 4.33 8.25 0.31 -5.06 115.22 117.66 3d32 n HIS 100 Ca -0.08 -0.02 -0.38 0.00 -0.26 0.00 0.00 57.72 56.99 3d32 n HIS 100 Cb 0.91 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.08 3d32 n HIS 100 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3d32 n HIS 101 N -0.02 1.75 -2.65 4.41 1.44 -0.16 -4.76 115.22 115.24 3d32 n HIS 101 Ca 0.00 0.43 -0.23 0.00 -2.01 0.00 0.00 57.72 55.91 3d32 n HIS 101 Cb 0.08 -2.26 0.09 0.00 0.12 0.00 0.00 29.99 28.03 3d32 n HIS 101 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3d32 s GLU 102 N -3.12 1.90 0.00 -1.40 2.02 -0.13 -4.96 118.70 113.00 3d32 s GLU 102 Ca 0.79 -1.11 0.13 0.00 0.02 0.00 0.00 54.97 54.79 3d32 s GLU 102 Cb -0.40 -2.39 0.56 0.00 0.10 0.00 0.00 34.13 31.99 3d32 s GLU 102 CO 0.44 -1.25 1.42 0.39 0.02 0.00 0.00 175.26 176.27 3d32 n GLU 103 N -2.68 0.00 -0.17 1.61 -0.58 -1.26 -1.13 120.64 116.42 3d32 n GLU 103 Ca 0.14 0.28 0.07 0.00 -0.42 0.00 0.00 57.16 57.22 3d32 n GLU 103 Cb 0.61 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 30.18 3d32 n GLU 103 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3d32 n ASP 104 N -1.50 1.99 0.00 1.62 5.68 -1.26 -4.89 116.55 118.19 3d32 n ASP 104 Ca 0.03 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 3d32 n ASP 104 Cb 0.15 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3d32 n ASP 104 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3d32 n PHE 105 N 0.58 0.00 -3.96 2.11 3.01 -0.29 -3.90 117.46 115.01 3d32 n PHE 105 Ca 0.13 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.28 3d32 n PHE 105 Cb 0.33 -0.52 -0.05 0.00 -0.01 0.00 0.00 39.48 39.23 3d32 n PHE 105 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3d32 s PHE 106 N -2.20 3.44 -0.02 1.38 0.40 -1.26 -4.76 117.98 114.96 3d32 s PHE 106 Ca 0.00 0.23 -0.17 0.00 -0.60 0.00 0.00 56.93 56.39 3d32 s PHE 106 Cb 0.00 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.74 3d32 s PHE 106 CO 0.00 0.58 0.47 -1.17 0.70 0.00 0.00 175.22 175.80 3d32 s LEU 107 N -2.35 4.43 -0.16 -0.37 2.96 -0.71 -0.96 118.68 121.52 3d32 s LEU 107 Ca 0.32 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 55.21 3d32 s LEU 107 Cb -0.13 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 3d32 s LEU 107 CO 0.24 0.22 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.09 3d32 s TYR 108 N -0.58 2.89 -0.12 5.38 1.51 -1.26 -0.52 117.35 124.66 3d32 s TYR 108 Ca 0.26 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 3d32 s TYR 108 Cb -0.17 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3d32 s TYR 108 CO 0.14 -0.28 -0.12 0.42 -1.11 0.00 0.00 175.55 174.59 3d32 s ILE 109 N 0.67 1.35 0.08 2.71 1.01 0.44 -4.55 121.20 122.92 3d32 s ILE 109 Ca -0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 3d32 s ILE 109 Cb -0.15 -1.28 -0.06 0.00 0.01 0.00 0.00 42.46 40.99 3d32 s ILE 109 CO 0.02 0.42 0.39 0.00 0.00 0.00 0.00 174.94 175.77 3d32 s ALA 110 N 1.32 3.74 0.11 9.38 0.00 -0.52 -1.01 121.76 134.78 3d32 s ALA 110 Ca -0.00 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.63 3d32 s ALA 110 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 3d32 s ALA 110 CO -0.06 0.58 -0.22 1.52 0.00 0.00 0.00 175.76 177.59 3d32 s TYR 111 N -1.42 1.85 0.21 0.00 1.13 -0.33 -0.27 117.35 118.52 3d32 s TYR 111 Ca 0.34 -0.41 -0.16 0.00 -1.41 0.00 0.00 57.07 55.42 3d32 s TYR 111 Cb -0.14 -1.01 0.02 0.00 -1.10 0.00 0.00 41.96 39.73 3d32 s TYR 111 CO 0.19 0.23 0.51 0.45 -2.51 0.00 0.00 175.55 174.41 3d32 s SER 112 N -1.95 -0.19 0.00 -0.18 0.15 -0.43 -0.75 113.70 110.35 3d32 s SER 112 Ca 0.08 -0.64 0.24 0.00 0.70 0.00 0.00 55.95 56.33 3d32 s SER 112 Cb -0.10 0.58 0.73 0.00 -1.71 0.00 0.00 66.02 65.52 3d32 s SER 112 CO 0.05 -1.09 1.55 -0.90 1.20 0.00 0.00 173.24 174.05 3d32 n ASP 113 N -0.35 2.05 -4.27 5.45 5.75 -1.26 -0.98 116.55 122.94 3d32 n ASP 113 Ca -0.07 -1.72 -0.22 0.00 -0.01 0.00 0.00 54.79 52.77 3d32 n ASP 113 Cb 0.62 -0.07 -0.12 0.00 -1.03 0.00 0.00 41.12 40.52 3d32 n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3d32 s GLU 114 N -1.85 1.08 0.00 0.11 0.41 -1.26 -4.69 118.70 112.49 3d32 s GLU 114 Ca 0.34 -1.17 0.30 0.00 -0.41 0.00 0.00 54.97 54.03 3d32 s GLU 114 Cb 0.20 -1.23 1.42 0.00 -1.78 0.00 0.00 34.13 32.74 3d32 s GLU 114 CO 0.30 0.27 1.96 -1.13 -0.49 0.00 0.00 175.26 176.17 3d32 n SER 115 N 0.94 0.62 -4.22 -0.19 3.41 -1.26 -4.63 113.62 108.28 3d32 n SER 115 Ca -0.18 -1.01 -0.33 0.00 -0.26 0.00 0.00 58.87 57.09 3d32 n SER 115 Cb 0.55 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.31 3d32 n SER 115 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3d32 s VAL 116 N -2.16 2.28 -0.94 -3.33 1.01 -1.26 -4.96 120.40 111.04 3d32 s VAL 116 Ca 0.39 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 3d32 s VAL 116 Cb 0.21 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3d32 s VAL 116 CO 0.39 0.54 1.94 -0.47 0.00 0.00 0.00 175.10 177.51 3d32 s TYR 117 N 0.64 1.83 0.00 5.22 5.04 -1.26 -5.06 117.35 123.75 3d32 s TYR 117 Ca -0.10 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 3d32 s TYR 117 Cb -0.16 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.11 3d32 s TYR 117 CO 0.02 -1.67 0.00 0.41 -1.34 0.00 0.00 175.55 172.97