#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 s ARG 10 N 0.00 0.57 0.32 -0.67 3.52 -1.26 -5.15 118.95 116.28 3d29 s ARG 10 Ca 0.00 0.97 -0.26 0.00 -0.13 0.00 0.00 55.73 56.31 3d29 s ARG 10 Cb 0.00 0.13 -0.14 0.00 -1.56 0.00 0.00 34.95 33.38 3d29 s ARG 10 CO 0.00 -0.12 0.83 0.41 -0.81 0.00 0.00 175.30 175.62 3d29 n GLY 11 N 3.95 -0.75 0.01 8.12 0.00 -1.26 -4.84 105.19 110.42 3d29 n GLY 11 Ca -0.19 0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3d29 n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3d29 n VAL 12 N -0.14 1.15 -1.95 1.61 0.24 -1.26 -2.33 118.33 115.64 3d29 n VAL 12 Ca 0.11 0.30 -0.19 0.00 -2.04 0.00 0.00 64.34 62.52 3d29 n VAL 12 Cb 0.33 -1.10 0.05 0.00 -1.47 0.00 0.00 33.84 31.65 3d29 n VAL 12 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3d29 n SER 13 N -1.56 4.41 -4.84 -1.34 3.41 -1.26 -4.46 113.62 107.97 3d29 n SER 13 Ca 0.03 -3.77 -0.35 0.00 -0.26 0.00 0.00 58.87 54.52 3d29 n SER 13 Cb 0.14 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 3d29 n SER 13 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3d29 s THR 14 N -4.38 4.72 0.12 6.66 2.01 -0.99 -5.03 115.64 118.76 3d29 s THR 14 Ca 0.49 0.98 -0.11 0.00 0.31 0.00 0.00 61.69 63.36 3d29 s THR 14 Cb 0.40 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 3d29 s THR 14 CO 0.02 0.10 0.46 -0.36 -0.69 0.00 0.00 174.62 174.15 3d29 s PHE 15 N -1.64 3.56 0.61 4.92 0.08 -1.26 -2.98 117.98 121.26 3d29 s PHE 15 Ca 0.44 0.86 -0.04 0.00 0.12 0.00 0.00 56.93 58.30 3d29 s PHE 15 Cb -0.14 -2.22 0.03 0.00 -0.57 0.00 0.00 43.02 40.12 3d29 s PHE 15 CO 0.20 0.45 0.89 -1.54 -0.10 0.00 0.00 175.22 175.12 3d29 s SER 16 N -1.89 5.32 0.38 1.36 1.04 0.17 -4.91 113.70 115.17 3d29 s SER 16 Ca 0.37 0.48 0.27 0.00 0.48 0.00 0.00 55.95 57.55 3d29 s SER 16 Cb -0.14 -1.37 1.38 0.00 0.10 0.00 0.00 66.02 65.99 3d29 s SER 16 CO 0.19 -1.21 1.81 -0.65 0.98 0.00 0.00 173.24 174.37 3d29 h PRO 17 N -0.22 0.00 -0.16 4.02 0.11 -1.99 -1.46 132.00 132.30 3d29 h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3d29 h PRO 17 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3d29 h PRO 17 CO 0.59 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 3d29 n GLU 18 N -2.44 1.94 -0.72 1.05 4.71 -1.26 -4.94 120.64 118.98 3d29 n GLU 18 Ca -0.01 -1.40 0.00 0.00 -0.01 0.00 0.00 57.16 55.74 3d29 n GLU 18 Cb 0.09 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 3d29 n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3d29 n GLY 19 N 1.24 0.71 3.57 0.62 0.00 -0.55 -5.08 105.19 105.70 3d29 n GLY 19 Ca 0.17 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 3d29 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d29 s ARG 20 N -1.53 1.94 -0.37 1.61 0.52 -1.26 -4.88 118.95 114.99 3d29 s ARG 20 Ca 0.00 -1.74 -0.16 0.00 -0.52 0.00 0.00 55.73 53.31 3d29 s ARG 20 Cb 0.00 -1.87 -0.00 0.00 0.52 0.00 0.00 34.95 33.60 3d29 s ARG 20 CO 0.00 0.23 0.37 -0.51 0.02 0.00 0.00 175.30 175.41 3d29 s LEU 21 N -3.63 4.60 0.11 2.53 1.43 -1.26 0.42 118.68 122.87 3d29 s LEU 21 Ca 0.32 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.80 3d29 s LEU 21 Cb -0.02 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 3d29 s LEU 21 CO 0.18 -0.41 1.38 -0.26 0.23 0.00 0.00 176.35 177.47 3d29 h PHE 22 N 8.55 -1.31 -0.91 0.29 -1.00 -1.88 -0.44 116.94 120.23 3d29 h PHE 22 Ca -0.29 0.08 0.18 0.00 2.81 0.00 0.00 57.97 60.75 3d29 h PHE 22 Cb 1.13 0.65 -0.10 0.00 3.61 0.00 0.00 35.95 41.24 3d29 h PHE 22 CO 0.66 -0.29 0.48 1.96 -1.61 0.00 0.00 178.31 179.52 3d29 h GLN 23 N -0.07 0.60 -0.22 1.51 1.08 -1.85 0.81 115.11 116.97 3d29 h GLN 23 Ca 0.10 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3d29 h GLN 23 Cb 0.33 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3d29 h GLN 23 CO -0.60 0.40 0.04 0.28 -0.95 0.00 0.00 178.83 178.00 3d29 h VAL 24 N 0.62 1.22 -0.09 -0.54 2.07 -1.55 -0.21 116.25 117.77 3d29 h VAL 24 Ca 0.52 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3d29 h VAL 24 Cb 0.82 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3d29 h VAL 24 CO -0.40 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.09 3d29 h GLU 25 N 0.17 0.03 -0.30 1.57 4.39 0.14 -1.34 114.58 119.24 3d29 h GLU 25 Ca 0.07 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3d29 h GLU 25 Cb 0.30 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3d29 h GLU 25 CO 0.00 0.02 0.18 1.88 -1.16 0.00 0.00 179.01 179.94 3d29 h TYR 26 N 0.04 0.38 -0.19 4.33 0.05 -0.81 -1.52 116.97 119.24 3d29 h TYR 26 Ca 0.04 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.84 3d29 h TYR 26 Cb 0.04 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3d29 h TYR 26 CO -0.12 0.25 0.09 1.03 -1.05 0.00 0.00 178.16 178.36 3d29 h SER 27 N 0.40 0.12 -0.74 3.88 0.87 0.03 -1.99 113.55 116.12 3d29 h SER 27 Ca 0.11 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.80 3d29 h SER 27 Cb -0.02 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 3d29 h SER 27 CO -0.02 0.10 0.49 -0.07 -0.53 0.00 0.00 176.83 176.80 3d29 h LEU 28 N 0.19 0.49 -0.38 2.23 4.07 -0.38 -1.72 115.31 119.81 3d29 h LEU 28 Ca 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3d29 h LEU 28 Cb 0.03 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 3d29 h LEU 28 CO -0.06 0.27 0.22 -0.33 -1.08 0.00 0.00 178.44 177.46 3d29 h GLU 29 N 0.53 0.53 -0.07 1.13 4.39 -1.13 -1.60 114.58 118.35 3d29 h GLU 29 Ca 0.35 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 3d29 h GLU 29 Cb 0.65 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3d29 h GLU 29 CO -0.12 0.42 0.01 0.00 -1.16 0.00 0.00 179.01 178.16 3d29 h ALA 30 N 1.08 1.89 -0.30 3.43 0.00 -1.12 -1.51 119.26 122.73 3d29 h ALA 30 Ca 0.14 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3d29 h ALA 30 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3d29 h ALA 30 CO -0.02 0.09 -0.29 0.82 0.00 0.00 0.00 179.25 179.85 3d29 h ILE 31 N 0.10 1.28 0.00 0.00 2.04 -1.03 -2.56 117.51 117.34 3d29 h ILE 31 Ca 0.03 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 3d29 h ILE 31 Cb 0.05 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3d29 h ILE 31 CO -0.00 0.45 -0.08 0.11 0.00 0.00 0.00 178.15 178.63 3d29 h LYS 32 N 0.54 0.00 -0.00 2.37 1.57 -0.66 -1.00 116.57 119.39 3d29 h LYS 32 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3d29 h LYS 32 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3d29 h LYS 32 CO 0.06 0.08 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 3d29 n LEU 33 N -4.40 0.18 -4.92 2.94 4.77 -0.97 -2.32 117.00 112.29 3d29 n LEU 33 Ca -0.03 -0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 3d29 n LEU 33 Cb 0.16 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.36 3d29 n LEU 33 CO 0.35 0.03 0.75 -0.83 -1.33 0.00 0.00 177.39 176.36 3d29 s GLY 34 N -1.95 1.68 0.43 -0.72 0.00 -0.38 -4.78 107.32 101.60 3d29 s GLY 34 Ca 0.45 -0.94 -0.25 0.00 0.00 0.00 0.00 44.72 43.98 3d29 s GLY 34 CO 0.35 -0.40 1.24 -0.56 0.00 0.00 0.00 173.10 173.73 3d29 s SER 35 N -4.65 6.23 0.51 1.64 0.01 -1.26 -0.69 113.70 115.49 3d29 s SER 35 Ca 0.65 2.51 -0.23 0.00 1.31 0.00 0.00 55.95 60.19 3d29 s SER 35 Cb -0.09 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 3d29 s SER 35 CO 0.48 -0.89 1.33 -0.89 0.41 0.00 0.00 173.24 173.68 3d29 s THR 36 N -1.37 2.29 -0.05 1.44 2.01 -1.26 -4.46 115.64 114.24 3d29 s THR 36 Ca 0.60 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.78 3d29 s THR 36 Cb -0.34 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.07 3d29 s THR 36 CO 0.43 0.00 0.13 0.00 -0.69 0.00 0.00 174.62 174.49 3d29 s ALA 37 N -1.33 -0.28 0.01 7.40 0.00 0.21 -0.77 121.76 126.99 3d29 s ALA 37 Ca 0.68 0.44 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3d29 s ALA 37 Cb -0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3d29 s ALA 37 CO 0.46 -0.09 -0.01 0.42 0.00 0.00 0.00 175.76 176.54 3d29 s ILE 38 N 0.39 0.09 -0.01 0.00 1.01 0.46 -0.56 121.20 122.57 3d29 s ILE 38 Ca -0.03 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3d29 s ILE 38 Cb -0.04 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.30 3d29 s ILE 38 CO -0.02 -0.11 -0.08 -0.83 0.00 0.00 0.00 174.94 173.91 3d29 s GLY 39 N -0.38 0.41 -0.07 6.18 0.00 -0.13 -0.54 107.32 112.79 3d29 s GLY 39 Ca -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 3d29 s GLY 39 CO -0.00 -0.19 -0.01 -0.42 0.00 0.00 0.00 173.10 172.47 3d29 s ILE 40 N -0.04 0.48 -0.10 0.90 1.01 0.09 -1.23 121.20 122.30 3d29 s ILE 40 Ca 0.01 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 3d29 s ILE 40 Cb -0.05 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 3d29 s ILE 40 CO -0.00 0.27 0.24 0.00 0.00 0.00 0.00 174.94 175.44 3d29 s ALA 41 N 1.77 3.77 0.05 9.38 0.00 0.09 -0.33 121.76 136.49 3d29 s ALA 41 Ca 0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 3d29 s ALA 41 Cb -0.13 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 3d29 s ALA 41 CO -0.05 0.45 -0.04 0.95 0.00 0.00 0.00 175.76 177.08 3d29 s THR 42 N -0.66 0.27 -2.00 0.00 -4.23 0.11 -4.87 115.64 104.25 3d29 s THR 42 Ca 0.17 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 3d29 s THR 42 Cb -0.13 -1.26 0.10 0.00 1.34 0.00 0.00 72.50 72.55 3d29 s THR 42 CO 0.06 -0.87 0.69 0.29 -0.54 0.00 0.00 174.62 174.25 3d29 n LYS 43 N 0.43 0.12 0.00 3.99 5.02 -1.26 -0.28 118.16 126.17 3d29 n LYS 43 Ca -0.16 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.18 3d29 n LYS 43 Cb 0.60 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 3d29 n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3d29 n GLU 44 N -0.99 1.60 -0.21 1.97 1.02 -1.26 -5.02 120.64 117.74 3d29 n GLU 44 Ca 0.03 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.41 3d29 n GLU 44 Cb 0.01 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3d29 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d29 n GLY 45 N 0.80 0.83 3.31 0.62 0.00 0.61 -4.80 105.19 106.57 3d29 n GLY 45 Ca 0.05 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3d29 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 46 N -1.21 2.02 -0.07 1.61 1.01 -0.93 0.07 120.40 122.90 3d29 s VAL 46 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.85 3d29 s VAL 46 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3d29 s VAL 46 CO 0.00 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.84 3d29 s VAL 47 N -0.64 3.48 -0.14 2.92 1.01 0.55 -1.26 120.40 126.32 3d29 s VAL 47 Ca 0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3d29 s VAL 47 Cb -0.10 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.90 3d29 s VAL 47 CO -0.00 0.59 -0.07 -0.22 0.00 0.00 0.00 175.10 175.39 3d29 s LEU 48 N -0.65 1.38 0.09 3.92 2.96 -0.22 -0.73 118.68 125.42 3d29 s LEU 48 Ca 0.10 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3d29 s LEU 48 Cb -0.11 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 3d29 s LEU 48 CO 0.01 -0.14 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.87 3d29 s GLY 49 N 1.67 1.17 0.04 7.98 0.00 0.30 -1.84 107.32 116.64 3d29 s GLY 49 Ca 0.03 -1.19 -0.06 0.00 0.00 0.00 0.00 44.72 43.50 3d29 s GLY 49 CO -0.08 -1.18 0.12 -1.34 0.00 0.00 0.00 173.10 170.62 3d29 s VAL 50 N -1.12 0.13 -0.26 1.40 -7.23 -0.82 -0.40 120.40 112.10 3d29 s VAL 50 Ca 0.06 -1.08 -0.21 0.00 -1.81 0.00 0.00 61.98 58.94 3d29 s VAL 50 Cb -0.10 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.87 3d29 s VAL 50 CO 0.04 -0.60 0.65 -0.70 -0.31 0.00 0.00 175.10 174.18 3d29 s GLU 51 N -2.74 4.11 0.03 4.82 2.12 0.05 -2.01 118.70 125.07 3d29 s GLU 51 Ca -0.04 0.58 -0.22 0.00 0.36 0.00 0.00 54.97 55.65 3d29 s GLU 51 Cb -0.00 -3.65 -0.12 0.00 0.26 0.00 0.00 34.13 30.61 3d29 s GLU 51 CO -0.05 -0.43 1.22 0.87 -0.54 0.00 0.00 175.26 176.32 3d29 h LYS 52 N 7.89 -0.77 -4.38 4.30 6.56 -1.08 -3.42 116.57 125.66 3d29 h LYS 52 Ca -0.26 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 3d29 h LYS 52 Cb 1.12 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 3d29 h LYS 52 CO 0.79 -0.52 -0.27 -2.13 -2.06 0.00 0.00 179.45 175.26 3d29 n ARG 53 N -4.38 -1.37 -2.85 3.15 0.63 -1.26 -5.00 116.66 105.58 3d29 n ARG 53 Ca -0.10 1.44 -0.41 0.00 -0.92 0.00 0.00 57.85 57.87 3d29 n ARG 53 Cb 0.32 -4.04 -0.04 0.00 0.45 0.00 0.00 32.46 29.15 3d29 n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3d29 s ALA 54 N -2.09 3.28 -2.04 5.13 0.00 -1.26 -4.94 121.76 119.85 3d29 s ALA 54 Ca 0.13 0.41 0.14 0.00 0.00 0.00 0.00 51.96 52.65 3d29 s ALA 54 Cb -0.04 -3.16 0.78 0.00 0.00 0.00 0.00 23.12 20.71 3d29 s ALA 54 CO 0.46 -0.05 1.51 0.25 0.00 0.00 0.00 175.76 177.94 3d29 n THR 55 N 3.17 0.05 -3.60 0.00 -2.24 -1.26 -4.86 114.28 105.54 3d29 n THR 55 Ca 0.01 -0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 3d29 n THR 55 Cb 0.50 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3d29 n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3d29 s SER 56 N -1.43 -0.18 0.53 3.42 0.15 -1.26 -5.04 113.70 109.89 3d29 s SER 56 Ca 0.22 0.11 0.32 0.00 0.70 0.00 0.00 55.95 57.30 3d29 s SER 56 Cb 0.11 0.17 1.16 0.00 -1.71 0.00 0.00 66.02 65.75 3d29 s SER 56 CO 0.17 -0.23 1.91 1.55 1.20 0.00 0.00 173.24 177.84 3d29 h PRO 57 N 2.15 0.00 0.00 5.44 0.13 -2.05 -3.04 132.00 134.64 3d29 h PRO 57 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3d29 h PRO 57 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3d29 h PRO 57 CO 0.25 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 177.95 3d29 h LEU 58 N 0.00 0.00 -8.93 1.56 3.38 -2.00 -3.44 115.31 105.88 3d29 h LEU 58 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3d29 h LEU 58 Cb 0.61 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 3d29 h LEU 58 CO 0.00 0.00 0.99 -0.22 0.09 0.00 0.00 178.44 179.30 3d29 s LEU 59 N -5.11 3.83 -0.79 1.67 1.98 -1.15 -4.92 118.68 114.19 3d29 s LEU 59 Ca 0.08 1.15 -0.26 0.00 -2.89 0.00 0.00 54.13 52.22 3d29 s LEU 59 Cb 0.10 -3.54 -0.10 0.00 0.66 0.00 0.00 46.19 43.30 3d29 s LEU 59 CO 0.58 -1.15 2.27 -1.61 -1.89 0.00 0.00 176.35 174.55 3d29 s GLU 60 N 4.31 1.93 0.61 1.98 2.02 -1.26 -4.80 118.70 123.50 3d29 s GLU 60 Ca 0.58 0.37 0.24 0.00 0.02 0.00 0.00 54.97 56.18 3d29 s GLU 60 Cb -0.16 -4.82 0.91 0.00 0.10 0.00 0.00 34.13 30.15 3d29 s GLU 60 CO 0.25 -4.00 1.35 0.66 0.02 0.00 0.00 175.26 173.54 3d29 h SER 61 N 13.04 0.00 -0.16 -0.19 4.64 -1.92 0.94 113.55 129.90 3d29 h SER 61 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3d29 h SER 61 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3d29 h SER 61 CO 1.08 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.14 3d29 n ASP 62 N -3.22 0.97 -1.21 4.97 3.85 -1.26 -2.75 116.55 117.90 3d29 n ASP 62 Ca 0.19 -1.87 0.11 0.00 -0.71 0.00 0.00 54.79 52.50 3d29 n ASP 62 Cb 1.37 -0.10 0.28 0.00 -1.35 0.00 0.00 41.12 41.31 3d29 n ASP 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3d29 n SER 63 N -0.02 3.73 -4.48 -1.12 3.41 0.33 -4.82 113.62 110.65 3d29 n SER 63 Ca 0.09 -1.99 -0.43 0.00 -0.26 0.00 0.00 58.87 56.27 3d29 n SER 63 Cb 0.17 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 3d29 n SER 63 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3d29 s ILE 64 N -1.05 4.98 -0.63 -1.33 -1.09 -1.11 -5.01 121.20 115.96 3d29 s ILE 64 Ca 0.44 -0.33 -0.04 0.00 -2.23 0.00 0.00 60.65 58.49 3d29 s ILE 64 Cb 0.23 -4.15 0.16 0.00 -1.58 0.00 0.00 42.46 37.12 3d29 s ILE 64 CO 0.30 -0.57 0.46 -0.70 -1.23 0.00 0.00 174.94 173.20 3d29 s GLU 65 N 2.39 2.64 0.00 2.79 2.12 -1.26 -4.85 118.70 122.52 3d29 s GLU 65 Ca 0.15 -2.50 0.11 0.00 0.36 0.00 0.00 54.97 53.09 3d29 s GLU 65 Cb -0.17 -3.79 0.20 0.00 0.26 0.00 0.00 34.13 30.63 3d29 s GLU 65 CO 0.14 -1.18 1.06 1.63 -0.54 0.00 0.00 175.26 176.37 3d29 n LYS 66 N 3.57 1.75 -3.93 4.30 5.02 -1.26 -4.86 118.16 122.74 3d29 n LYS 66 Ca 0.08 -1.63 -0.26 0.00 -2.02 0.00 0.00 58.31 54.48 3d29 n LYS 66 Cb 0.39 -1.25 -0.17 0.00 -0.02 0.00 0.00 35.03 33.98 3d29 n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d29 s ILE 67 N -0.97 0.91 0.10 -0.18 1.01 -1.26 -2.13 121.20 118.68 3d29 s ILE 67 Ca 0.19 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3d29 s ILE 67 Cb 0.11 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 3d29 s ILE 67 CO 0.15 0.35 -0.07 0.68 0.00 0.00 0.00 174.94 176.04 3d29 s VAL 68 N 1.66 0.77 -0.11 2.92 -7.23 -0.50 -4.98 120.40 112.94 3d29 s VAL 68 Ca 0.03 -1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 58.15 3d29 s VAL 68 Cb -0.13 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3d29 s VAL 68 CO -0.07 -0.79 0.49 -0.70 -0.31 0.00 0.00 175.10 173.72 3d29 s GLU 69 N -3.57 4.33 -0.21 4.82 2.12 -1.26 -0.67 118.70 124.27 3d29 s GLU 69 Ca 0.10 0.48 -0.20 0.00 0.36 0.00 0.00 54.97 55.72 3d29 s GLU 69 Cb 0.03 -3.43 -0.17 0.00 0.26 0.00 0.00 34.13 30.83 3d29 s GLU 69 CO -0.03 0.18 0.11 -0.89 -0.54 0.00 0.00 175.26 174.09 3d29 n ILE 70 N 3.59 1.52 -4.01 -3.70 2.08 0.37 -4.97 119.36 114.25 3d29 n ILE 70 Ca -0.07 -0.03 -0.13 0.00 0.56 0.00 0.00 62.75 63.08 3d29 n ILE 70 Cb 0.52 -2.06 -0.03 0.00 -0.75 0.00 0.00 39.64 37.31 3d29 n ILE 70 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3d29 s ASP 71 N -6.80 0.57 0.61 4.38 3.68 -0.56 -4.54 116.67 114.01 3d29 s ASP 71 Ca -0.28 -1.33 0.40 0.00 2.13 0.00 0.00 52.55 53.47 3d29 s ASP 71 Cb 0.06 0.70 2.10 0.00 -1.45 0.00 0.00 42.92 44.33 3d29 s ASP 71 CO 0.54 -1.36 2.23 -0.09 0.13 0.00 0.00 175.17 176.62 3d29 h ARG 72 N 2.10 0.00 -0.14 4.34 2.43 -1.96 -1.90 114.38 119.26 3d29 h ARG 72 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3d29 h ARG 72 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3d29 h ARG 72 CO 0.39 0.00 0.00 -2.39 -1.51 0.00 0.00 179.97 176.46 3d29 n HIS 73 N -3.00 0.26 -3.72 2.20 1.44 -1.26 -0.88 115.22 110.26 3d29 n HIS 73 Ca -0.02 -0.62 -0.12 0.00 -2.01 0.00 0.00 57.72 54.95 3d29 n HIS 73 Cb 0.12 -0.09 -0.13 0.00 0.12 0.00 0.00 29.99 30.01 3d29 n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3d29 s ILE 74 N -1.49 -0.08 0.20 0.61 1.01 -0.71 -1.27 121.20 119.47 3d29 s ILE 74 Ca 0.17 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.99 3d29 s ILE 74 Cb 0.12 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 3d29 s ILE 74 CO 0.07 0.07 0.07 -0.83 0.00 0.00 0.00 174.94 174.31 3d29 s GLY 75 N 1.38 1.39 0.03 6.18 0.00 0.62 -0.48 107.32 116.44 3d29 s GLY 75 Ca -0.08 -1.68 -0.18 0.00 0.00 0.00 0.00 44.72 42.77 3d29 s GLY 75 CO -0.09 -1.50 0.42 0.00 0.00 0.00 0.00 173.10 171.93 3d29 s ALA 77 N -2.25 2.71 0.18 0.00 0.00 -0.07 -1.41 121.76 120.92 3d29 s ALA 77 Ca -0.07 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 50.89 3d29 s ALA 77 Cb -0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3d29 s ALA 77 CO -0.01 0.58 -0.22 0.00 0.00 0.00 0.00 175.76 176.11 3d29 s MET 78 N -1.30 1.42 -0.13 0.00 0.23 -0.91 -0.26 119.30 118.36 3d29 s MET 78 Ca 0.15 -1.46 -0.07 0.00 -1.03 0.00 0.00 55.69 53.27 3d29 s MET 78 Cb -0.11 -1.67 0.05 0.00 -1.53 0.00 0.00 34.83 31.58 3d29 s MET 78 CO 0.05 0.36 0.31 0.45 -2.03 0.00 0.00 175.02 174.16 3d29 s SER 79 N -2.59 -0.35 0.00 -1.18 0.15 -0.90 -4.87 113.70 103.95 3d29 s SER 79 Ca 0.18 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.49 3d29 s SER 79 Cb -0.07 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3d29 s SER 79 CO 0.08 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.96 3d29 n GLY 80 N 4.10 0.30 3.57 9.45 0.00 -1.26 -0.99 105.19 120.37 3d29 n GLY 80 Ca -0.23 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 3d29 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d29 s LEU 81 N 0.00 3.32 0.57 0.99 1.43 0.20 -4.81 118.68 120.38 3d29 s LEU 81 Ca 0.00 -1.68 0.31 0.00 -1.03 0.00 0.00 54.13 51.73 3d29 s LEU 81 Cb 0.00 -2.58 1.43 0.00 0.03 0.00 0.00 46.19 45.07 3d29 s LEU 81 CO 0.00 -2.38 1.80 0.71 0.23 0.00 0.00 176.35 176.71 3d29 h THR 82 N 6.26 0.36 0.00 5.49 1.35 -1.89 0.24 112.91 124.72 3d29 h THR 82 Ca 0.26 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.08 3d29 h THR 82 Cb 0.94 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3d29 h THR 82 CO 1.30 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 176.42 3d29 h ALA 83 N 1.34 1.33 0.00 6.62 0.00 -1.97 -2.15 119.26 124.43 3d29 h ALA 83 Ca 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3d29 h ALA 83 Cb 1.79 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3d29 h ALA 83 CO -0.00 0.19 -0.14 -0.44 0.00 0.00 0.00 179.25 178.86 3d29 h ASP 84 N 0.00 0.00 1.14 0.00 3.45 -1.32 -3.12 116.42 116.58 3d29 h ASP 84 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3d29 h ASP 84 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3d29 h ASP 84 CO 0.02 0.14 0.00 0.00 -1.57 0.00 0.00 179.24 177.83 3d29 n ALA 85 N -2.19 2.13 0.12 3.45 0.00 -0.81 -4.02 120.51 119.18 3d29 n ALA 85 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3d29 n ALA 85 Cb 0.35 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 3d29 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d29 h ARG 86 N 0.00 -0.31 0.00 0.00 2.47 -1.68 -0.31 114.38 114.55 3d29 h ARG 86 Ca 0.00 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 3d29 h ARG 86 Cb 0.57 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 3d29 h ARG 86 CO 0.00 -0.21 -0.26 0.66 0.56 0.00 0.00 179.97 180.73 3d29 h SER 87 N -0.32 0.00 -0.54 7.04 4.64 -1.83 -1.60 113.55 120.95 3d29 h SER 87 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 3d29 h SER 87 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3d29 h SER 87 CO -0.05 0.26 -0.09 0.24 -0.87 0.00 0.00 176.83 176.32 3d29 h MET 88 N 0.00 1.02 -0.25 4.77 2.86 -1.57 -1.82 114.93 119.94 3d29 h MET 88 Ca -0.00 -0.37 -0.15 0.00 -2.06 0.00 0.00 59.70 57.12 3d29 h MET 88 Cb 0.49 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3d29 h MET 88 CO 0.03 1.06 -0.42 0.82 1.06 0.00 0.00 176.91 179.46 3d29 h ILE 89 N 0.91 1.30 -0.33 -1.22 1.08 -0.52 -0.53 117.51 118.21 3d29 h ILE 89 Ca 0.15 -1.62 0.04 0.00 -0.39 0.00 0.00 64.86 63.03 3d29 h ILE 89 Cb 0.65 1.72 -0.04 0.00 -3.07 0.00 0.00 36.82 36.09 3d29 h ILE 89 CO 0.05 0.52 0.12 -0.08 -0.69 0.00 0.00 178.15 178.06 3d29 h GLU 90 N 0.46 0.26 -0.47 2.37 4.57 -1.26 0.21 114.58 120.72 3d29 h GLU 90 Ca 0.02 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3d29 h GLU 90 Cb 1.02 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 3d29 h GLU 90 CO 0.10 0.17 0.25 1.25 -1.18 0.00 0.00 179.01 179.59 3d29 h HIS 91 N 0.26 0.65 -0.66 0.92 2.76 -1.23 -0.05 115.15 117.80 3d29 h HIS 91 Ca 0.15 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3d29 h HIS 91 Cb 0.11 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 3d29 h HIS 91 CO -0.14 0.50 0.25 0.00 -1.30 0.00 0.00 177.93 177.24 3d29 h ALA 92 N 1.09 0.86 -0.39 5.26 0.00 -0.44 -0.68 119.26 124.96 3d29 h ALA 92 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3d29 h ALA 92 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3d29 h ALA 92 CO -0.02 0.49 -0.10 0.00 0.00 0.00 0.00 179.25 179.61 3d29 h ARG 93 N 0.94 0.77 -0.80 0.00 3.08 -0.38 -0.98 114.38 117.01 3d29 h ARG 93 Ca 0.22 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3d29 h ARG 93 Cb 0.23 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3d29 h ARG 93 CO -0.02 0.91 0.45 1.15 -1.07 0.00 0.00 179.97 181.39 3d29 h THR 94 N 0.58 1.24 -0.46 2.04 2.02 -0.84 -0.14 112.91 117.34 3d29 h THR 94 Ca 0.10 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 3d29 h THR 94 Cb 0.63 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3d29 h THR 94 CO 0.04 0.26 0.03 0.00 0.37 0.00 0.00 175.52 176.22 3d29 h ALA 95 N 1.24 0.61 -0.44 6.16 0.00 -0.94 0.24 119.26 126.12 3d29 h ALA 95 Ca 0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3d29 h ALA 95 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3d29 h ALA 95 CO -0.05 0.38 0.14 0.00 0.00 0.00 0.00 179.25 179.73 3d29 h ALA 96 N 0.93 0.58 -0.20 0.00 0.00 -0.77 -1.32 119.26 118.47 3d29 h ALA 96 Ca 0.13 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3d29 h ALA 96 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3d29 h ALA 96 CO 0.02 0.22 -0.61 0.28 0.00 0.00 0.00 179.25 179.16 3d29 h VAL 97 N 0.57 1.30 -0.59 0.00 2.07 -0.94 -3.08 116.25 115.59 3d29 h VAL 97 Ca 0.14 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.74 3d29 h VAL 97 Cb 0.25 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3d29 h VAL 97 CO -0.01 0.58 0.03 0.74 0.02 0.00 0.00 177.57 178.93 3d29 h THR 98 N 0.52 1.26 -0.64 2.57 2.02 -0.41 -1.56 112.91 116.67 3d29 h THR 98 Ca -0.00 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 3d29 h THR 98 Cb 1.19 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3d29 h THR 98 CO 0.12 0.39 0.32 -0.74 0.37 0.00 0.00 175.52 175.99 3d29 h HIS 99 N 0.92 0.88 -0.52 3.16 6.17 -1.24 -0.81 115.15 123.71 3d29 h HIS 99 Ca 0.17 -0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.11 3d29 h HIS 99 Cb 0.50 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 3d29 h HIS 99 CO 0.03 0.64 -0.15 -0.97 0.71 0.00 0.00 177.93 178.19 3d29 h ASN 100 N 0.90 1.04 -0.63 3.26 -0.73 -1.36 0.13 115.58 118.18 3d29 h ASN 100 Ca 0.22 -0.37 -0.05 0.00 1.87 0.00 0.00 56.30 57.97 3d29 h ASN 100 Cb 0.07 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 3d29 h ASN 100 CO -0.03 1.17 0.20 0.25 -0.37 0.00 0.00 177.43 178.64 3d29 h LEU 101 N 0.89 0.92 0.00 0.34 5.85 -0.54 0.60 115.31 123.38 3d29 h LEU 101 Ca 0.13 -0.21 -0.24 0.00 0.84 0.00 0.00 57.88 58.40 3d29 h LEU 101 Cb 0.73 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3d29 h LEU 101 CO 0.06 0.89 -1.35 1.88 -0.34 0.00 0.00 178.44 179.58 3d29 h TYR 102 N 0.91 0.00 -0.00 1.25 0.05 -1.09 -3.39 116.97 114.69 3d29 h TYR 102 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3d29 h TYR 102 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 3d29 h TYR 102 CO 0.02 0.95 -0.08 0.66 -1.05 0.00 0.00 178.16 178.66 3d29 n TYR 103 N -3.16 0.00 -3.69 4.88 4.02 0.44 -5.01 117.16 114.63 3d29 n TYR 103 Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.57 3d29 n TYR 103 Cb 0.98 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.35 3d29 n TYR 103 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3d29 n ASP 104 N -0.16 -3.62 -3.63 7.72 4.64 0.20 -4.97 116.55 116.73 3d29 n ASP 104 Ca 0.03 -0.71 -0.09 0.00 -1.38 0.00 0.00 54.79 52.64 3d29 n ASP 104 Cb 0.12 -4.44 -0.02 0.00 -1.04 0.00 0.00 41.12 35.74 3d29 n ASP 104 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3d29 s GLU 105 N -6.13 1.45 0.59 -0.67 -1.05 -1.25 -5.07 118.70 106.57 3d29 s GLU 105 Ca 0.33 -0.69 -0.14 0.00 -0.15 0.00 0.00 54.97 54.33 3d29 s GLU 105 Cb -0.16 0.57 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 3d29 s GLU 105 CO 0.78 -0.65 1.02 -0.51 0.95 0.00 0.00 175.26 176.85 3d29 s ASP 106 N -2.82 6.19 0.16 0.83 -0.00 -1.26 -3.53 116.67 116.25 3d29 s ASP 106 Ca 0.06 1.56 -0.23 0.00 -0.00 0.00 0.00 52.55 53.94 3d29 s ASP 106 Cb -0.03 -2.50 -0.08 0.00 -0.00 0.00 0.00 42.92 40.31 3d29 s ASP 106 CO -0.03 -0.89 0.74 -0.51 -0.00 0.00 0.00 175.17 174.48 3d29 s ILE 107 N -2.86 4.46 0.28 0.77 2.07 -1.26 -4.94 121.20 119.71 3d29 s ILE 107 Ca 0.58 1.56 -0.29 0.00 -1.41 0.00 0.00 60.65 61.09 3d29 s ILE 107 Cb -0.12 -4.05 -0.10 0.00 0.13 0.00 0.00 42.46 38.33 3d29 s ILE 107 CO 0.43 0.47 1.23 0.20 -1.91 0.00 0.00 174.94 175.37 3d29 s ASN 108 N -1.23 6.99 0.32 4.50 0.02 -1.26 -4.90 114.94 119.37 3d29 s ASN 108 Ca 0.36 2.46 0.06 0.00 -1.02 0.00 0.00 52.86 54.72 3d29 s ASN 108 Cb -0.21 -2.63 0.73 0.00 0.02 0.00 0.00 41.25 39.16 3d29 s ASN 108 CO 0.24 -0.39 1.81 0.58 0.02 0.00 0.00 177.10 179.36 3d29 h VAL 109 N 3.26 0.78 -0.46 1.60 2.07 -1.95 -1.35 116.25 120.20 3d29 h VAL 109 Ca -0.47 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3d29 h VAL 109 Cb 1.22 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3d29 h VAL 109 CO 0.69 0.14 0.15 -0.08 0.02 0.00 0.00 177.57 178.50 3d29 h GLU 110 N 0.79 0.71 -0.28 1.57 4.81 -1.99 -1.78 114.58 118.40 3d29 h GLU 110 Ca 0.53 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3d29 h GLU 110 Cb 0.79 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3d29 h GLU 110 CO -0.30 0.67 0.10 0.77 -0.73 0.00 0.00 179.01 179.52 3d29 h SER 111 N 0.60 0.39 -0.90 1.04 0.02 -1.67 -0.16 113.55 112.88 3d29 h SER 111 Ca 0.15 -0.18 0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3d29 h SER 111 Cb 0.25 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.61 3d29 h SER 111 CO -0.01 0.46 0.53 0.25 -1.14 0.00 0.00 176.83 176.92 3d29 h LEU 112 N 0.29 0.76 -0.21 5.07 7.12 -1.19 0.26 115.31 127.41 3d29 h LEU 112 Ca 0.09 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.11 3d29 h LEU 112 Cb 0.20 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 3d29 h LEU 112 CO -0.01 0.41 -0.02 0.74 -0.13 0.00 0.00 178.44 179.44 3d29 h THR 113 N 0.85 1.27 -0.81 1.05 2.02 -0.86 -2.17 112.91 114.26 3d29 h THR 113 Ca 0.44 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.74 3d29 h THR 113 Cb 0.44 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 3d29 h THR 113 CO -0.27 0.29 0.53 -0.61 0.37 0.00 0.00 175.52 175.83 3d29 h GLN 114 N 0.14 0.90 -0.26 6.66 5.75 -0.02 -1.30 115.11 126.96 3d29 h GLN 114 Ca 0.06 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3d29 h GLN 114 Cb 0.44 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3d29 h GLN 114 CO 0.01 0.59 0.13 1.03 -2.65 0.00 0.00 178.83 177.95 3d29 h SER 115 N 0.93 0.34 -0.62 -0.69 0.87 -0.23 -2.00 113.55 112.15 3d29 h SER 115 Ca 0.34 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3d29 h SER 115 Cb 0.16 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3d29 h SER 115 CO -0.11 0.36 0.35 0.58 -0.53 0.00 0.00 176.83 177.48 3d29 h VAL 116 N 0.29 1.19 0.00 2.23 2.07 -0.75 -2.51 116.25 118.77 3d29 h VAL 116 Ca 0.09 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3d29 h VAL 116 Cb 0.11 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3d29 h VAL 116 CO -0.01 0.20 -0.14 0.00 0.02 0.00 0.00 177.57 177.64 3d29 h ASP 118 N 0.00 0.00 0.90 0.00 3.45 -0.89 -1.95 116.42 117.93 3d29 h ASP 118 Ca -0.00 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.27 3d29 h ASP 118 Cb 0.34 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 3d29 h ASP 118 CO 0.02 0.08 -0.91 -0.07 -1.57 0.00 0.00 179.24 176.79 3d29 h LEU 119 N 0.00 0.01 0.00 1.55 3.38 -1.56 -3.39 115.31 115.29 3d29 h LEU 119 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3d29 h LEU 119 Cb 0.33 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3d29 h LEU 119 CO 0.01 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.45 3d29 n ALA 120 N -2.37 0.00 1.62 1.53 0.00 -0.73 -0.83 120.51 119.73 3d29 n ALA 120 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.45 3d29 n ALA 120 Cb 0.86 0.31 0.10 0.00 0.00 0.00 0.00 19.45 20.72 3d29 n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d29 n LEU 121 N -2.27 0.00 -1.90 0.00 4.77 -1.26 -4.36 117.00 111.98 3d29 n LEU 121 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3d29 n LEU 121 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3d29 n LEU 121 CO 0.00 0.00 1.07 0.54 -1.33 0.00 0.00 177.39 177.67 3d29 n ARG 122 N -0.56 1.16 -4.59 3.23 1.74 -0.01 -4.81 116.66 112.81 3d29 n ARG 122 Ca 0.03 -0.41 -0.27 0.00 -0.77 0.00 0.00 57.85 56.42 3d29 n ARG 122 Cb 0.01 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 29.82 3d29 n ARG 122 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3d29 s PHE 123 N 1.05 2.01 0.00 -1.55 -0.71 -1.26 -3.82 117.98 113.71 3d29 s PHE 123 Ca 0.27 -0.98 0.00 0.00 -1.04 0.00 0.00 56.93 55.19 3d29 s PHE 123 Cb 0.13 -1.46 0.00 0.00 -1.21 0.00 0.00 43.02 40.49 3d29 s PHE 123 CO 0.00 0.09 0.00 0.41 -1.34 0.00 0.00 175.22 174.38 3d29 n GLY 12 N -0.97 1.71 0.96 1.99 0.00 0.06 -4.76 105.19 104.18 3d29 n GLY 12 Ca -0.09 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 44.01 3d29 n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d29 n GLU 12 N -1.67 3.13 0.00 1.61 1.02 -1.26 -4.44 120.64 119.03 3d29 n GLU 12 Ca 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.55 3d29 n GLU 12 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3d29 n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d29 n GLY 12 N 0.16 0.00 3.64 0.62 0.00 -1.26 -5.12 105.19 103.23 3d29 n GLY 12 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3d29 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 s ALA 12 N 0.00 3.45 -0.75 4.61 0.00 -1.26 -4.95 121.76 122.85 3d29 s ALA 12 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.93 3d29 s ALA 12 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.31 3d29 s ALA 12 CO 0.00 -1.60 2.15 -1.12 0.00 0.00 0.00 175.76 175.19 3d29 s SER 12 N 2.61 4.65 0.00 0.00 0.01 -1.26 -4.00 113.70 115.71 3d29 s SER 12 Ca 0.56 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.82 3d29 s SER 12 Cb -0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3d29 s SER 12 CO 0.21 -3.07 0.00 0.61 0.41 0.00 0.00 173.24 171.40 3d29 n GLY 12 N 6.51 0.12 0.00 3.44 0.00 -1.26 -5.13 105.19 108.88 3d29 n GLY 12 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3d29 n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3d29 n GLU 12 N 0.00 0.00 -3.20 1.61 2.13 -1.26 -5.06 120.64 114.87 3d29 n GLU 12 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 3d29 n GLU 12 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 3d29 n GLU 12 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3d29 n GLU 125 N 0.00 0.88 -2.25 5.31 2.13 -1.26 -4.98 120.64 120.47 3d29 n GLU 125 Ca 0.00 -3.34 -0.34 0.00 0.66 0.00 0.00 57.16 54.14 3d29 n GLU 125 Cb 0.00 -1.38 -0.04 0.00 0.27 0.00 0.00 31.44 30.29 3d29 n GLU 125 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3d29 s ARG 126 N -1.55 2.94 -0.41 5.31 3.03 -1.26 -4.94 118.95 122.07 3d29 s ARG 126 Ca 0.37 -0.37 -0.11 0.00 2.03 0.00 0.00 55.73 57.64 3d29 s ARG 126 Cb 0.21 -4.93 0.05 0.00 -1.03 0.00 0.00 34.95 29.25 3d29 s ARG 126 CO -0.10 -2.79 0.26 -1.17 -1.13 0.00 0.00 175.30 170.37 3d29 s LEU 127 N 7.94 5.04 0.00 -1.89 2.96 -1.25 -4.15 118.68 127.32 3d29 s LEU 127 Ca 0.59 -1.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 3d29 s LEU 127 Cb -0.06 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3d29 s LEU 127 CO 0.02 -0.48 0.00 0.80 -1.32 0.00 0.00 176.35 175.37 3d29 n MET 128 N 5.02 0.00 0.15 1.98 1.56 -1.25 -4.91 117.12 119.67 3d29 n MET 128 Ca -0.11 0.00 0.13 0.00 -0.27 0.00 0.00 57.70 57.45 3d29 n MET 128 Cb 0.45 0.00 0.46 0.00 2.15 0.00 0.00 33.22 36.28 3d29 n MET 128 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3d29 h SER 129 N 0.00 0.00 -5.09 6.12 4.64 -1.90 0.21 113.55 117.52 3d29 h SER 129 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3d29 h SER 129 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 3d29 h SER 129 CO 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 176.83 176.01 3d29 s ARG 130 N -3.28 1.47 0.96 4.77 1.70 -1.26 -4.49 118.95 118.82 3d29 s ARG 130 Ca 0.06 -0.93 -0.12 0.00 -0.47 0.00 0.00 55.73 54.27 3d29 s ARG 130 Cb 0.10 0.53 0.17 0.00 -0.57 0.00 0.00 34.95 35.18 3d29 s ARG 130 CO 0.50 -0.63 1.12 -2.14 -1.08 0.00 0.00 175.30 173.06 3d29 s PRO 131 N -3.90 0.70 0.49 3.89 0.02 -1.26 -4.80 135.00 130.14 3d29 s PRO 131 Ca 0.11 0.38 -0.20 0.00 0.02 0.00 0.00 61.00 61.32 3d29 s PRO 131 Cb -0.02 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 3d29 s PRO 131 CO 0.00 -2.51 1.02 -0.06 -0.33 0.00 0.00 177.00 175.12 3d29 s PHE 132 N -3.12 3.06 -0.43 6.54 0.40 -1.26 -4.98 117.98 118.19 3d29 s PHE 132 Ca 0.65 1.57 0.04 0.00 -0.60 0.00 0.00 56.93 58.59 3d29 s PHE 132 Cb -0.17 -3.02 0.47 0.00 0.51 0.00 0.00 43.02 40.82 3d29 s PHE 132 CO 0.56 -0.73 1.57 0.41 0.70 0.00 0.00 175.22 177.72 3d29 n GLY 133 N -0.40 5.84 3.18 4.36 0.00 -1.26 -4.73 105.19 112.18 3d29 n GLY 133 Ca 0.09 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 3d29 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d29 s VAL 134 N -4.35 0.04 0.33 1.61 0.11 -1.26 0.59 120.40 117.47 3d29 s VAL 134 Ca 0.55 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 59.36 3d29 s VAL 134 Cb 0.45 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.78 3d29 s VAL 134 CO 0.02 -0.17 0.20 0.00 -3.33 0.00 0.00 175.10 171.81 3d29 s ALA 135 N -0.71 3.63 0.02 1.54 0.00 -0.16 -4.38 121.76 121.71 3d29 s ALA 135 Ca -0.08 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3d29 s ALA 135 Cb -0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 3d29 s ALA 135 CO 0.02 0.05 -0.04 -0.51 0.00 0.00 0.00 175.76 175.28 3d29 s LEU 136 N -3.90 2.24 -0.28 0.00 1.43 -0.57 -2.11 118.68 115.49 3d29 s LEU 136 Ca 0.38 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3d29 s LEU 136 Cb -0.04 0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.27 3d29 s LEU 136 CO 0.24 -0.28 -0.04 -0.76 0.23 0.00 0.00 176.35 175.74 3d29 s LEU 137 N -1.45 3.61 -0.27 1.79 1.43 0.65 -0.76 118.68 123.68 3d29 s LEU 137 Ca -0.15 -1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 51.64 3d29 s LEU 137 Cb -0.10 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 3d29 s LEU 137 CO -0.01 -0.21 0.16 -0.63 0.23 0.00 0.00 176.35 175.89 3d29 s ILE 138 N 1.23 5.09 -0.02 -0.59 1.01 0.57 -0.89 121.20 127.61 3d29 s ILE 138 Ca -0.05 0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.77 3d29 s ILE 138 Cb -0.19 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3d29 s ILE 138 CO -0.03 0.27 -0.24 0.00 0.00 0.00 0.00 174.94 174.94 3d29 s ALA 139 N 1.71 2.26 0.00 9.38 0.00 0.22 0.12 121.76 135.45 3d29 s ALA 139 Ca 0.07 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3d29 s ALA 139 Cb -0.16 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.34 3d29 s ALA 139 CO 0.09 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3d29 n GLY 140 N 2.34 0.85 3.11 0.00 0.00 -0.69 -0.28 105.19 110.51 3d29 n GLY 140 Ca -0.16 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 3d29 n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d29 s HIS 141 N -3.48 -0.17 0.00 1.61 2.46 -0.39 -1.08 115.29 114.24 3d29 s HIS 141 Ca 0.00 0.39 -0.15 0.00 0.47 0.00 0.00 55.06 55.77 3d29 s HIS 141 Cb 0.00 0.05 0.02 0.00 -0.13 0.00 0.00 32.58 32.53 3d29 s HIS 141 CO 0.00 -0.18 0.32 0.16 -2.47 0.00 0.00 174.74 172.57 3d29 s ASP 142 N -0.34 -0.18 0.42 9.88 3.84 -1.10 -4.81 116.67 124.36 3d29 s ASP 142 Ca -0.04 0.01 0.25 0.00 -0.00 0.00 0.00 52.55 52.77 3d29 s ASP 142 Cb -0.03 0.33 1.38 0.00 -1.38 0.00 0.00 42.92 43.22 3d29 s ASP 142 CO 0.01 -0.51 1.76 0.00 -0.00 0.00 0.00 175.17 176.43 3d29 h ALA 143 N 3.62 1.06 0.12 2.11 0.00 -1.98 -0.30 119.26 123.90 3d29 h ALA 143 Ca -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.30 3d29 h ALA 143 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3d29 h ALA 143 CO 0.42 -0.06 -1.58 -0.44 0.00 0.00 0.00 179.25 177.59 3d29 h ASP 144 N 0.00 0.40 0.00 0.00 5.19 -2.02 -3.41 116.42 116.59 3d29 h ASP 144 Ca 0.00 -0.87 0.00 0.00 -0.62 0.00 0.00 57.03 55.54 3d29 h ASP 144 Cb 0.16 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3d29 h ASP 144 CO 0.00 1.69 -0.09 0.47 -3.12 0.00 0.00 179.24 178.19 3d29 n ASP 14 N -3.81 1.59 0.00 6.45 9.92 -1.19 -5.12 116.55 124.40 3d29 n ASP 14 Ca -0.27 -2.37 0.00 0.00 -0.53 0.00 0.00 54.79 51.62 3d29 n ASP 14 Cb 0.95 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 41.20 3d29 n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d29 n GLY 145 N -0.77 2.23 3.73 0.44 0.00 -0.13 -4.65 105.19 106.04 3d29 n GLY 145 Ca 0.07 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3d29 n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d29 s TYR 146 N 0.00 3.35 0.01 1.61 2.02 -1.26 -2.72 117.35 120.36 3d29 s TYR 146 Ca 0.00 1.26 -0.01 0.00 -0.37 0.00 0.00 57.07 57.96 3d29 s TYR 146 Cb 0.00 -3.52 -0.01 0.00 -0.40 0.00 0.00 41.96 38.03 3d29 s TYR 146 CO 0.00 -1.60 -0.01 -0.65 -1.57 0.00 0.00 175.55 171.73 3d29 s GLN 147 N 0.32 0.21 -0.08 -0.62 -0.21 -0.24 -4.99 119.66 114.05 3d29 s GLN 147 Ca 0.57 -0.37 0.02 0.00 0.02 0.00 0.00 55.36 55.60 3d29 s GLN 147 Cb -0.34 0.08 0.01 0.00 1.00 0.00 0.00 33.01 33.77 3d29 s GLN 147 CO 0.34 -0.04 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.18 3d29 s LEU 148 N -0.91 1.60 0.09 2.90 2.96 -1.26 -1.71 118.68 122.35 3d29 s LEU 148 Ca -0.10 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3d29 s LEU 148 Cb -0.06 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 3d29 s LEU 148 CO -0.00 0.01 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.47 3d29 s PHE 149 N 0.89 1.71 -0.21 5.38 0.08 0.12 -1.14 117.98 124.80 3d29 s PHE 149 Ca -0.10 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.52 3d29 s PHE 149 Cb -0.15 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 3d29 s PHE 149 CO 0.01 0.17 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.60 3d29 s HIS 150 N -1.13 2.93 -0.19 0.36 5.65 0.40 -0.31 115.29 122.99 3d29 s HIS 150 Ca 0.05 -1.48 -0.01 0.00 0.25 0.00 0.00 55.06 53.87 3d29 s HIS 150 Cb -0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 32.58 29.30 3d29 s HIS 150 CO 0.04 -0.73 -0.11 0.00 -0.65 0.00 0.00 174.74 173.29 3d29 s ALA 151 N 1.34 2.60 0.24 1.58 0.00 0.06 -1.63 121.76 125.95 3d29 s ALA 151 Ca 0.03 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.93 3d29 s ALA 151 Cb -0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3d29 s ALA 151 CO -0.08 -0.29 0.06 -1.21 0.00 0.00 0.00 175.76 174.24 3d29 s GLU 152 N 1.23 2.51 0.00 0.00 2.02 -1.03 -1.52 118.70 121.91 3d29 s GLU 152 Ca 0.03 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.77 3d29 s GLU 152 Cb -0.14 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3d29 s GLU 152 CO -0.05 0.39 0.45 -2.30 0.02 0.00 0.00 175.26 173.77 3d29 n PRO 153 N -0.84 0.00 0.15 0.39 -0.02 -1.26 -1.30 135.00 132.11 3d29 n PRO 153 Ca -0.07 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.48 3d29 n PRO 153 Cb 0.58 -1.46 0.06 0.00 -0.02 0.00 0.00 33.50 32.65 3d29 n PRO 153 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3d29 h SER 154 N 0.00 0.00 0.00 2.55 4.64 -1.92 -3.41 113.55 115.41 3d29 h SER 154 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d29 h SER 154 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3d29 h SER 154 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 3d29 n GLY 155 N 1.20 0.36 3.95 -0.77 0.00 -0.42 -4.65 105.19 104.85 3d29 n GLY 155 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3d29 n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d29 s THR 156 N -2.00 5.17 -0.10 2.61 -4.23 -1.26 -4.74 115.64 111.10 3d29 s THR 156 Ca 0.00 -0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 59.73 3d29 s THR 156 Cb 0.00 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 70.04 3d29 s THR 156 CO 0.00 -0.42 0.40 0.72 -0.54 0.00 0.00 174.62 174.78 3d29 s PHE 157 N -2.13 -0.38 0.19 3.99 -0.12 -1.26 -2.47 117.98 115.81 3d29 s PHE 157 Ca 0.38 0.81 0.09 0.00 -0.05 0.00 0.00 56.93 58.16 3d29 s PHE 157 Cb -0.10 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 3d29 s PHE 157 CO 0.33 -0.32 -0.18 0.71 -0.05 0.00 0.00 175.22 175.71 3d29 s TYR 158 N -0.46 1.89 -0.15 3.49 2.02 -0.65 -4.94 117.35 118.54 3d29 s TYR 158 Ca -0.06 -0.47 -0.08 0.00 -0.37 0.00 0.00 57.07 56.09 3d29 s TYR 158 Cb -0.03 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 3d29 s TYR 158 CO 0.03 0.40 0.11 0.50 -1.57 0.00 0.00 175.55 175.02 3d29 s ARG 159 N -3.10 3.74 0.05 -0.62 3.52 -1.26 -0.46 118.95 120.82 3d29 s ARG 159 Ca 0.20 -0.21 0.05 0.00 -0.13 0.00 0.00 55.73 55.63 3d29 s ARG 159 Cb -0.04 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.08 3d29 s ARG 159 CO 0.08 0.53 -0.14 0.71 -0.81 0.00 0.00 175.30 175.67 3d29 s TYR 160 N -0.34 1.23 -0.01 5.12 1.51 -0.29 -4.97 117.35 119.60 3d29 s TYR 160 Ca 0.11 -0.39 0.11 0.00 -1.01 0.00 0.00 57.07 55.89 3d29 s TYR 160 Cb -0.12 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 3d29 s TYR 160 CO 0.01 0.05 1.37 -0.91 -1.11 0.00 0.00 175.55 174.96 3d29 h ASN 161 N 4.69 0.00 -4.11 2.29 -0.26 -1.93 -3.36 115.58 112.90 3d29 h ASN 161 Ca -0.39 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.32 3d29 h ASN 161 Cb 1.18 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 38.23 3d29 h ASN 161 CO 0.42 0.75 0.20 0.00 -1.06 0.00 0.00 177.43 177.75 3d29 s ALA 162 N -2.86 -1.81 -0.24 -0.83 0.00 -1.26 -0.73 121.76 114.02 3d29 s ALA 162 Ca 0.02 1.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.59 3d29 s ALA 162 Cb 0.09 -0.94 0.06 0.00 0.00 0.00 0.00 23.12 22.33 3d29 s ALA 162 CO 0.78 -0.33 0.66 0.21 0.00 0.00 0.00 175.76 177.08 3d29 s LYS 163 N -0.04 0.78 -0.03 0.00 2.47 -0.37 -5.00 119.74 117.56 3d29 s LYS 163 Ca -0.02 0.90 0.05 0.00 -1.56 0.00 0.00 55.97 55.34 3d29 s LYS 163 Cb -0.04 0.38 -0.01 0.00 -1.46 0.00 0.00 37.83 36.70 3d29 s LYS 163 CO 0.02 -0.10 -0.19 0.00 0.16 0.00 0.00 175.35 175.24 3d29 s ALA 164 N 0.30 1.61 0.07 3.13 0.00 -1.26 -0.96 121.76 124.64 3d29 s ALA 164 Ca -0.00 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3d29 s ALA 164 Cb -0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3d29 s ALA 164 CO 0.01 0.35 -0.10 0.96 0.00 0.00 0.00 175.76 176.99 3d29 s ILE 165 N -0.26 0.77 0.00 0.00 -4.36 0.27 -4.79 121.20 112.84 3d29 s ILE 165 Ca 0.03 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 3d29 s ILE 165 Cb -0.09 -0.99 0.00 0.00 1.25 0.00 0.00 42.46 42.63 3d29 s ILE 165 CO 0.01 -0.44 0.00 0.61 0.24 0.00 0.00 174.94 175.36 3d29 n GLY 166 N 1.06 -0.22 0.28 6.27 0.00 -1.26 -0.62 105.19 110.70 3d29 n GLY 166 Ca -0.20 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.52 3d29 n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d29 h SER 167 N 0.00 -1.02 -0.35 1.61 4.64 -0.49 -2.79 113.55 115.14 3d29 h SER 167 Ca 0.00 0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 3d29 h SER 167 Cb 0.00 0.40 -0.06 0.00 -0.31 0.00 0.00 62.40 62.43 3d29 h SER 167 CO 0.00 -0.29 0.12 0.61 -0.87 0.00 0.00 176.83 176.40 3d29 n GLY 168 N -1.26 2.59 0.19 -0.77 0.00 -1.26 -4.62 105.19 100.07 3d29 n GLY 168 Ca -0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 3d29 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d29 h SER 169 N 1.34 -0.40 -1.00 1.61 4.64 -1.77 -1.11 113.55 116.86 3d29 h SER 169 Ca 0.12 0.05 0.20 0.00 -0.47 0.00 0.00 61.79 61.69 3d29 h SER 169 Cb 1.48 0.15 -0.11 0.00 -0.31 0.00 0.00 62.40 63.61 3d29 h SER 169 CO 0.35 -0.21 0.61 1.05 -0.87 0.00 0.00 176.83 177.76 3d29 h GLU 170 N -0.29 0.68 -0.00 4.77 9.09 -1.84 0.67 114.58 127.66 3d29 h GLU 170 Ca 0.02 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 59.38 3d29 h GLU 170 Cb 0.30 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3d29 h GLU 170 CO -0.08 0.45 -0.02 0.78 0.05 0.00 0.00 179.01 180.19 3d29 h GLY 171 N 0.70 0.02 1.20 1.06 0.00 -1.88 -2.90 103.07 101.26 3d29 h GLY 171 Ca 0.59 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.93 3d29 h GLY 171 CO -0.38 0.03 0.44 0.00 0.00 0.00 0.00 176.54 176.62 3d29 h ALA 172 N 0.28 1.67 -0.30 3.60 0.00 -0.07 -1.03 119.26 123.40 3d29 h ALA 172 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3d29 h ALA 172 Cb 0.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3d29 h ALA 172 CO 0.00 0.25 -0.35 0.37 0.00 0.00 0.00 179.25 179.53 3d29 h GLN 173 N 0.76 0.67 -0.66 0.00 5.75 0.23 -0.16 115.11 121.70 3d29 h GLN 173 Ca 0.27 -0.32 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 3d29 h GLN 173 Cb 0.13 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3d29 h GLN 173 CO -0.08 0.92 0.30 0.00 -2.65 0.00 0.00 178.83 177.32 3d29 h ALA 174 N 1.05 0.85 0.60 3.38 0.00 -1.04 0.21 119.26 124.30 3d29 h ALA 174 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3d29 h ALA 174 Cb 0.87 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3d29 h ALA 174 CO 0.08 0.43 -0.29 1.49 0.00 0.00 0.00 179.25 180.95 3d29 h GLU 175 N 0.92 -0.79 -0.89 0.00 4.57 -0.83 -2.59 114.58 114.97 3d29 h GLU 175 Ca 0.22 0.05 0.19 0.00 -1.18 0.00 0.00 59.36 58.65 3d29 h GLU 175 Cb 0.15 0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 3d29 h GLU 175 CO -0.03 -0.52 0.59 -0.07 -1.18 0.00 0.00 179.01 177.80 3d29 h LEU 176 N -0.82 0.44 -2.01 1.64 3.38 -0.70 0.35 115.31 117.60 3d29 h LEU 176 Ca -0.08 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.03 3d29 h LEU 176 Cb 0.63 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3d29 h LEU 176 CO 0.13 0.18 0.24 0.25 0.09 0.00 0.00 178.44 179.34 3d29 h LEU 177 N 0.45 0.00 0.00 1.67 7.12 -0.55 -2.17 115.31 121.82 3d29 h LEU 177 Ca 0.47 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 58.21 3d29 h LEU 177 Cb 1.10 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.19 3d29 h LEU 177 CO -0.18 0.00 -1.65 0.59 -0.13 0.00 0.00 178.44 177.07 3d29 n ASN 178 N -4.42 1.90 -0.18 1.25 3.02 0.11 -4.60 115.26 112.34 3d29 n ASN 178 Ca 0.05 0.40 0.01 0.00 -0.03 0.00 0.00 54.58 55.01 3d29 n ASN 178 Cb 0.41 -0.87 0.26 0.00 -0.61 0.00 0.00 39.78 38.98 3d29 n ASN 178 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3d29 h GLU 179 N -1.00 0.92 -6.87 3.52 4.39 -1.22 -3.45 114.58 110.87 3d29 h GLU 179 Ca -0.40 -0.07 -0.51 0.00 0.34 0.00 0.00 59.36 58.72 3d29 h GLU 179 Cb 1.29 -0.20 0.04 0.00 -0.10 0.00 0.00 28.75 29.78 3d29 h GLU 179 CO -0.25 0.63 0.53 -0.46 -1.16 0.00 0.00 179.01 178.30 3d29 s TRP 180 N -5.76 3.28 0.00 4.33 -0.00 -0.82 -5.06 118.94 114.91 3d29 s TRP 180 Ca -0.11 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.57 3d29 s TRP 180 Cb 0.18 -3.42 0.00 0.00 -0.00 0.00 0.00 33.47 30.23 3d29 s TRP 180 CO 0.78 -1.12 0.00 -2.39 -0.00 0.00 0.00 176.95 174.22 3d29 n HIS 18 N 0.74 0.00 0.00 5.86 1.44 -1.26 -4.99 115.22 117.00 3d29 n HIS 18 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 3d29 n HIS 18 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 3d29 n HIS 18 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3d29 n SER 18 N 0.00 0.00 -4.50 4.39 3.41 -1.26 -4.96 113.62 110.70 3d29 n SER 18 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 3d29 n SER 18 Cb 0.00 -0.13 0.07 0.00 -0.26 0.00 0.00 64.21 63.89 3d29 n SER 18 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3d29 n LEU 184 N 0.00 1.44 -4.88 1.04 4.77 -1.26 -5.00 117.00 113.12 3d29 n LEU 184 Ca 0.00 0.64 -0.21 0.00 -0.03 0.00 0.00 56.01 56.41 3d29 n LEU 184 Cb 0.00 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 39.81 3d29 n LEU 184 CO 0.00 -2.85 -0.06 0.42 -1.33 0.00 0.00 177.39 173.57 3d29 s THR 185 N -1.85 3.67 0.17 -5.08 -4.23 -1.26 -4.40 115.64 102.66 3d29 s THR 185 Ca 0.68 -1.30 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 3d29 s THR 185 Cb -0.37 -3.24 0.05 0.00 1.34 0.00 0.00 72.50 70.29 3d29 s THR 185 CO 0.55 -0.18 1.77 0.25 -0.54 0.00 0.00 174.62 176.48 3d29 h LEU 186 N 1.19 0.27 -0.74 4.79 5.85 -1.92 -0.19 115.31 124.57 3d29 h LEU 186 Ca -0.45 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.33 3d29 h LEU 186 Cb 1.25 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 3d29 h LEU 186 CO 0.58 0.19 0.47 0.11 -0.34 0.00 0.00 178.44 179.45 3d29 h LYS 187 N 0.40 0.89 -0.69 1.25 1.79 -1.99 -0.29 116.57 117.93 3d29 h LYS 187 Ca 0.20 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3d29 h LYS 187 Cb 0.14 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 3d29 h LYS 187 CO -0.16 0.59 0.39 0.93 -1.08 0.00 0.00 179.45 180.12 3d29 h GLU 188 N 0.91 0.96 -0.46 3.15 5.08 -1.70 -2.08 114.58 120.44 3d29 h GLU 188 Ca 0.30 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3d29 h GLU 188 Cb 0.02 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3d29 h GLU 188 CO -0.11 0.71 -0.00 0.00 -1.00 0.00 0.00 179.01 178.60 3d29 h ALA 189 N 1.20 1.13 0.50 3.43 0.00 -0.44 -1.65 119.26 123.43 3d29 h ALA 189 Ca 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3d29 h ALA 189 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3d29 h ALA 189 CO -0.04 0.56 -0.24 0.93 0.00 0.00 0.00 179.25 180.46 3d29 h GLU 190 N 0.71 -0.65 -0.72 0.00 5.08 -0.46 -0.39 114.58 118.16 3d29 h GLU 190 Ca 0.14 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3d29 h GLU 190 Cb 0.44 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3d29 h GLU 190 CO 0.02 -0.43 0.43 -0.07 -1.00 0.00 0.00 179.01 177.95 3d29 h LEU 191 N -0.68 0.86 -0.43 1.33 -0.00 -1.33 -1.41 115.31 113.65 3d29 h LEU 191 Ca -0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.74 3d29 h LEU 191 Cb 0.52 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 3d29 h LEU 191 CO 0.11 0.67 0.19 0.25 -0.00 0.00 0.00 178.44 179.66 3d29 h LEU 192 N 0.99 0.58 0.05 1.67 5.85 -1.05 0.31 115.31 123.71 3d29 h LEU 192 Ca 0.26 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3d29 h LEU 192 Cb -0.03 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3d29 h LEU 192 CO -0.05 0.56 -0.03 0.58 -0.34 0.00 0.00 178.44 179.17 3d29 h VAL 193 N 0.55 0.96 -0.94 1.05 2.07 -0.65 -1.00 116.25 118.29 3d29 h VAL 193 Ca 0.15 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.64 3d29 h VAL 193 Cb 0.15 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3d29 h VAL 193 CO -0.02 0.01 0.62 0.25 0.02 0.00 0.00 177.57 178.46 3d29 h LEU 194 N -0.09 1.07 0.06 2.57 5.85 -1.05 -0.78 115.31 122.94 3d29 h LEU 194 Ca -0.01 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3d29 h LEU 194 Cb 0.07 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3d29 h LEU 194 CO 0.01 0.76 -0.03 0.50 -0.34 0.00 0.00 178.44 179.35 3d29 h LYS 195 N 1.26 -0.08 -0.88 1.25 3.64 -0.07 -1.40 116.57 120.29 3d29 h LYS 195 Ca 0.35 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 3d29 h LYS 195 Cb -0.12 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3d29 h LYS 195 CO -0.08 0.20 0.46 0.82 -2.27 0.00 0.00 179.45 178.58 3d29 h ILE 196 N -0.35 1.26 -0.41 2.00 1.08 -0.97 -1.72 117.51 118.39 3d29 h ILE 196 Ca -0.01 -0.66 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3d29 h ILE 196 Cb 0.31 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 3d29 h ILE 196 CO 0.01 0.30 0.25 -0.07 -0.69 0.00 0.00 178.15 177.95 3d29 h LEU 197 N 1.23 0.49 -0.58 1.44 3.38 -1.11 -2.30 115.31 117.86 3d29 h LEU 197 Ca 0.31 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.31 3d29 h LEU 197 Cb 0.05 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3d29 h LEU 197 CO -0.05 0.39 0.22 0.50 0.09 0.00 0.00 178.44 179.60 3d29 h LYS 198 N 0.55 0.40 0.47 1.13 3.64 -0.70 0.20 116.57 122.25 3d29 h LYS 198 Ca 0.15 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3d29 h LYS 198 Cb -0.01 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3d29 h LYS 198 CO -0.03 0.26 -0.23 1.96 -2.27 0.00 0.00 179.45 179.15 3d29 h GLN 199 N 0.41 -0.61 0.00 1.90 4.20 -0.91 -3.26 115.11 116.84 3d29 h GLN 199 Ca 0.29 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 3d29 h GLN 199 Cb 0.33 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 3d29 h GLN 199 CO -0.28 -0.39 -0.13 -0.39 -0.67 0.00 0.00 178.83 176.96 3d29 h VAL 200 N -0.66 0.24 -3.24 -0.54 -1.51 -1.29 -3.45 116.25 105.80 3d29 h VAL 200 Ca -0.06 -1.20 -0.53 0.00 -1.23 0.00 0.00 66.70 63.68 3d29 h VAL 200 Cb 0.50 1.99 0.01 0.00 -2.13 0.00 0.00 31.29 31.66 3d29 h VAL 200 CO 0.11 0.13 0.61 -0.04 -1.23 0.00 0.00 177.57 177.14 3d29 s MET 201 N -3.28 4.42 0.32 5.19 -1.94 0.04 -4.79 119.30 119.27 3d29 s MET 201 Ca 0.05 1.89 0.02 0.00 -1.71 0.00 0.00 55.69 55.94 3d29 s MET 201 Cb 0.07 -3.28 0.55 0.00 2.01 0.00 0.00 34.83 34.17 3d29 s MET 201 CO 0.66 -0.25 1.90 0.93 -0.01 0.00 0.00 175.02 178.25 3d29 h GLU 202 N 6.25 0.71 -6.94 2.03 4.39 -1.89 -3.44 114.58 115.70 3d29 h GLU 202 Ca -0.43 -0.12 -0.49 0.00 0.34 0.00 0.00 59.36 58.66 3d29 h GLU 202 Cb 1.21 -0.12 0.03 0.00 -0.10 0.00 0.00 28.75 29.77 3d29 h GLU 202 CO 0.80 0.62 0.14 -1.21 -1.16 0.00 0.00 179.01 178.20 3d29 s GLU 205 N -5.26 3.64 -0.47 2.33 0.41 -1.26 -5.00 118.70 113.09 3d29 s GLU 205 Ca -0.09 0.36 -0.28 0.00 -0.41 0.00 0.00 54.97 54.54 3d29 s GLU 205 Cb 0.16 -2.35 0.01 0.00 -1.78 0.00 0.00 34.13 30.17 3d29 s GLU 205 CO 0.78 -0.18 1.45 0.21 -0.49 0.00 0.00 175.26 177.02 3d29 s LYS 206 N -4.45 3.43 -0.18 1.61 2.20 -1.26 -4.92 119.74 116.17 3d29 s LYS 206 Ca 0.50 0.78 -0.36 0.00 -0.36 0.00 0.00 55.97 56.52 3d29 s LYS 206 Cb -0.10 -4.08 -0.13 0.00 -1.51 0.00 0.00 37.83 32.01 3d29 s LYS 206 CO 0.41 -1.75 1.86 -0.11 -0.36 0.00 0.00 175.35 175.39 3d29 n LEU 207 N 9.30 2.98 -4.34 5.43 0.00 -1.26 -4.93 117.00 124.17 3d29 n LEU 207 Ca 0.16 0.97 -0.20 0.00 0.00 0.00 0.00 56.01 56.94 3d29 n LEU 207 Cb 0.49 -1.28 -0.09 0.00 0.00 0.00 0.00 43.42 42.54 3d29 n LEU 207 CO 0.71 -0.24 -0.18 1.51 0.00 0.00 0.00 177.39 179.19 3d29 s ASP 208 N 4.15 1.69 0.00 1.96 -4.77 -1.26 -5.04 116.67 113.39 3d29 s ASP 208 Ca 0.96 -1.61 -0.03 0.00 -3.30 0.00 0.00 52.55 48.57 3d29 s ASP 208 Cb -0.84 0.44 -0.12 0.00 -1.09 0.00 0.00 42.92 41.31 3d29 s ASP 208 CO 0.57 -0.93 2.05 -1.84 0.70 0.00 0.00 175.17 175.71 3d29 n GLU 209 N -0.62 1.02 0.00 2.11 0.00 -1.26 -3.17 120.64 118.72 3d29 n GLU 209 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 57.16 56.73 3d29 n GLU 209 Cb 0.64 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 30.42 3d29 n GLU 209 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3d29 n ASN 20 N 2.50 0.00 -3.78 -1.84 0.23 -1.26 -4.76 115.26 106.34 3d29 n ASN 20 Ca 0.19 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.11 3d29 n ASN 20 Cb 0.48 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.09 3d29 n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d29 s ALA 210 N 0.00 -0.71 -0.02 -2.53 0.00 -1.19 -0.43 121.76 116.88 3d29 s ALA 210 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 3d29 s ALA 210 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3d29 s ALA 210 CO 0.00 -0.24 0.05 -1.14 0.00 0.00 0.00 175.76 174.43 3d29 s GLN 211 N -1.20 0.04 0.24 0.00 0.74 -0.85 -4.89 119.66 113.73 3d29 s GLN 211 Ca -0.13 0.11 0.10 0.00 0.05 0.00 0.00 55.36 55.49 3d29 s GLN 211 Cb -0.05 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.98 3d29 s GLN 211 CO 0.03 -0.05 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.14 3d29 s LEU 212 N 0.30 2.99 0.15 3.68 1.43 -1.26 -1.95 118.68 124.01 3d29 s LEU 212 Ca -0.02 -0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 52.13 3d29 s LEU 212 Cb -0.03 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.69 3d29 s LEU 212 CO -0.01 0.04 0.87 -0.94 0.23 0.00 0.00 176.35 176.54 3d29 s SER 213 N -3.35 -0.26 0.26 2.29 1.04 -0.77 -1.19 113.70 111.73 3d29 s SER 213 Ca 0.29 -0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.20 3d29 s SER 213 Cb -0.07 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.59 3d29 s SER 213 CO 0.17 -0.94 0.63 0.00 0.98 0.00 0.00 173.24 174.08 3d29 s ILE 215 N -3.94 0.45 0.08 0.00 -1.16 -0.39 -1.17 121.20 115.07 3d29 s ILE 215 Ca 0.14 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.34 3d29 s ILE 215 Cb -0.04 -0.55 -0.03 0.00 0.61 0.00 0.00 42.46 42.46 3d29 s ILE 215 CO 0.06 0.24 -0.16 0.42 -2.81 0.00 0.00 174.94 172.69 3d29 s THR 216 N 1.45 1.27 0.48 4.00 -4.23 -0.87 -2.18 115.64 115.55 3d29 s THR 216 Ca -0.03 -1.36 0.15 0.00 -1.18 0.00 0.00 61.69 59.27 3d29 s THR 216 Cb -0.13 -1.20 0.31 0.00 1.34 0.00 0.00 72.50 72.82 3d29 s THR 216 CO -0.03 -0.18 2.06 0.50 -0.54 0.00 0.00 174.62 176.43 3d29 h LYS 217 N 4.25 0.21 0.01 3.99 3.64 -1.88 0.51 116.57 127.30 3d29 h LYS 217 Ca -0.42 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 3d29 h LYS 217 Cb 1.19 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3d29 h LYS 217 CO 0.40 0.14 -0.27 0.37 -2.27 0.00 0.00 179.45 177.83 3d29 h GLN 218 N 0.22 0.16 -0.16 1.90 4.15 -1.97 -3.38 115.11 116.04 3d29 h GLN 218 Ca 0.15 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3d29 h GLN 218 Cb 0.31 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3d29 h GLN 218 CO -0.03 0.95 0.00 -0.25 -1.93 0.00 0.00 178.83 177.57 3d29 n ASP 219 N -4.49 2.28 0.00 -0.69 9.92 -1.15 -5.10 116.55 117.32 3d29 n ASP 219 Ca -0.10 -1.74 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 3d29 n ASP 219 Cb 0.52 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 3d29 n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d29 n GLY 220 N 0.32 0.18 3.70 0.44 0.00 0.18 -4.71 105.19 105.30 3d29 n GLY 220 Ca 0.07 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 3d29 n GLY 220 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d29 s PHE 221 N 0.00 3.56 0.00 1.61 2.19 -0.06 -2.06 117.98 123.23 3d29 s PHE 221 Ca 0.00 1.47 0.00 0.00 0.33 0.00 0.00 56.93 58.73 3d29 s PHE 221 Cb 0.00 -3.02 -0.00 0.00 -1.31 0.00 0.00 43.02 38.68 3d29 s PHE 221 CO 0.00 -0.07 -0.01 0.15 1.83 0.00 0.00 175.22 177.13 3d29 s LYS 222 N 1.35 0.06 -0.30 10.12 -0.14 -0.31 -5.01 119.74 125.51 3d29 s LYS 222 Ca 0.45 -0.08 -0.09 0.00 -1.36 0.00 0.00 55.97 54.89 3d29 s LYS 222 Cb -0.19 -0.02 -0.01 0.00 -1.68 0.00 0.00 37.83 35.94 3d29 s LYS 222 CO 0.20 0.00 0.14 0.42 -0.76 0.00 0.00 175.35 175.35 3d29 s ILE 223 N -0.16 4.49 0.26 2.17 1.01 -1.26 -1.58 121.20 126.12 3d29 s ILE 223 Ca -0.02 -0.45 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 3d29 s ILE 223 Cb -0.01 -3.28 -0.13 0.00 0.01 0.00 0.00 42.46 39.05 3d29 s ILE 223 CO -0.00 0.08 1.47 -1.22 0.00 0.00 0.00 174.94 175.27 3d29 n TYR 224 N 4.96 2.38 -2.16 3.97 0.53 -0.33 -4.97 117.16 121.55 3d29 n TYR 224 Ca -0.14 0.38 -0.31 0.00 -1.02 0.00 0.00 57.90 56.80 3d29 n TYR 224 Cb 0.49 -2.50 -0.01 0.00 -1.03 0.00 0.00 39.34 36.29 3d29 n TYR 224 CO 0.00 0.00 0.00 0.16 -1.02 0.00 0.00 176.86 176.00 3d29 s ASP 225 N 0.35 6.42 0.31 7.72 -4.77 -1.26 -4.64 116.67 120.80 3d29 s ASP 225 Ca 0.67 1.47 0.07 0.00 -3.30 0.00 0.00 52.55 51.46 3d29 s ASP 225 Cb -0.60 -2.48 0.86 0.00 -1.09 0.00 0.00 42.92 39.62 3d29 s ASP 225 CO 0.49 -0.72 1.67 0.78 0.70 0.00 0.00 175.17 178.09 3d29 h ASN 226 N 0.30 0.31 -0.14 2.11 -0.26 -1.93 -0.48 115.58 115.47 3d29 h ASN 226 Ca -0.45 0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 3d29 h ASN 226 Cb 1.19 0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.61 3d29 h ASN 226 CO 0.62 -0.10 0.08 -0.33 -1.06 0.00 0.00 177.43 176.64 3d29 h GLU 227 N 0.32 0.17 -0.65 0.81 3.07 -1.93 0.20 114.58 116.57 3d29 h GLU 227 Ca 0.63 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 3d29 h GLU 227 Cb 1.31 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 3d29 h GLU 227 CO -0.60 0.11 0.41 -0.22 -1.40 0.00 0.00 179.01 177.32 3d29 h LYS 228 N 0.17 0.86 -0.33 2.33 3.64 -1.48 -2.88 116.57 118.88 3d29 h LYS 228 Ca 0.05 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 3d29 h LYS 228 Cb -0.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3d29 h LYS 228 CO -0.03 0.59 -0.40 1.15 -2.27 0.00 0.00 179.45 178.49 3d29 h THR 229 N 0.88 1.28 -0.99 1.00 2.02 -1.07 -2.97 112.91 113.06 3d29 h THR 229 Ca 0.23 -1.57 0.07 0.00 0.77 0.00 0.00 66.41 65.91 3d29 h THR 229 Cb -0.07 1.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 3d29 h THR 229 CO -0.05 0.51 0.63 0.00 0.37 0.00 0.00 175.52 176.99 3d29 h ALA 230 N 0.90 1.38 -0.13 6.16 0.00 -0.44 -0.33 119.26 126.81 3d29 h ALA 230 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3d29 h ALA 230 Cb 0.96 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3d29 h ALA 230 CO 0.09 0.41 -0.38 0.93 0.00 0.00 0.00 179.25 180.30 3d29 h GLU 231 N 1.14 0.27 -0.01 0.00 5.08 -1.44 -1.38 114.58 118.24 3d29 h GLU 231 Ca 0.43 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.54 3d29 h GLU 231 Cb 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3d29 h GLU 231 CO -0.18 0.61 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.74 3d29 h LEU 232 N 0.23 0.05 0.02 1.33 3.38 -1.11 -1.30 115.31 117.90 3d29 h LEU 232 Ca 0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3d29 h LEU 232 Cb 0.78 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3d29 h LEU 232 CO 0.06 0.67 -0.01 0.40 0.09 0.00 0.00 178.44 179.65 3d29 h ILE 233 N 0.03 1.29 -0.54 1.22 2.04 -0.65 -2.28 117.51 118.62 3d29 h ILE 233 Ca -0.01 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 64.94 3d29 h ILE 233 Cb 1.13 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.09 3d29 h ILE 233 CO 0.09 0.25 0.26 0.50 0.00 0.00 0.00 178.15 179.24 3d29 h LYS 235 N -0.45 0.48 -0.13 2.37 3.64 -1.21 -0.24 116.57 121.03 3d29 h LYS 235 Ca -0.00 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3d29 h LYS 235 Cb 0.43 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3d29 h LYS 235 CO 0.00 0.32 0.11 1.49 -2.27 0.00 0.00 179.45 179.10 3d29 h GLU 236 N 0.49 0.00 0.11 1.90 4.81 -1.18 -2.46 114.58 118.25 3d29 h GLU 236 Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3d29 h GLU 236 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3d29 h GLU 236 CO -0.19 0.00 -0.05 1.25 -0.73 0.00 0.00 179.01 179.29 3d29 h LEU 237 N 0.00 -0.12 -1.35 1.64 6.46 -0.46 -2.97 115.31 118.51 3d29 h LEU 237 Ca 0.06 -0.40 0.26 0.00 -0.12 0.00 0.00 57.88 57.69 3d29 h LEU 237 Cb 0.28 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.15 3d29 h LEU 237 CO -0.00 0.51 0.66 0.50 -0.62 0.00 0.00 178.44 179.49 3d29 h LYS 238 N -0.93 0.40 0.04 1.25 3.64 -1.05 0.53 116.57 120.45 3d29 h LYS 238 Ca -0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3d29 h LYS 238 Cb 0.51 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3d29 h LYS 238 CO 0.02 0.26 -0.02 0.93 -2.27 0.00 0.00 179.45 178.38 3d29 h GLU 239 N 0.41 -0.05 -0.04 1.90 5.08 -1.53 -1.56 114.58 118.79 3d29 h GLU 239 Ca 0.59 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.91 3d29 h GLU 239 Cb 1.47 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 3d29 h GLU 239 CO -0.30 0.47 -0.16 0.87 -1.00 0.00 0.00 179.01 178.89 3d29 h LYS 240 N -0.61 0.06 0.06 2.33 1.57 -1.14 -1.39 116.57 117.46 3d29 h LYS 240 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3d29 h LYS 240 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3d29 h LYS 240 CO 0.01 0.22 -0.03 0.93 -0.57 0.00 0.00 179.45 180.01 3d29 h GLU 241 N 0.06 -0.08 0.00 3.15 5.08 -0.93 -2.89 114.58 118.97 3d29 h GLU 241 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3d29 h GLU 241 Cb 0.32 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3d29 h GLU 241 CO 0.02 0.41 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 3d29 n ALA 242 N -2.41 1.45 0.62 3.43 0.00 -0.59 -2.14 120.51 120.87 3d29 n ALA 242 Ca -0.09 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.42 3d29 n ALA 242 Cb 0.27 -1.14 0.42 0.00 0.00 0.00 0.00 19.45 18.99 3d29 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d29 n ALA 243 N -1.45 1.87 0.00 0.00 0.00 -0.54 -5.07 120.51 115.32 3d29 n ALA 243 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3d29 n ALA 243 Cb 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3d29 n ALA 243 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89