#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 0.30 -0.67 3.52 -1.26 -5.15 118.95 116.26 3d29 s ARG 10 Ca 0.00 0.95 -0.27 0.00 -0.13 0.00 0.00 55.73 56.28 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 -0.11 0.88 0.41 -0.81 0.00 0.00 175.30 175.67 3d29 n GLY 11 N 3.90 -0.63 0.00 8.12 0.00 -1.26 -4.84 105.19 110.48 3d29 n GLY 11 Ca -0.19 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 0.01 1.24 -1.97 1.61 0.24 -1.26 -2.25 118.33 115.94 3d29 n VAL 12 Ca 0.11 0.31 -0.19 0.00 -2.04 0.00 0.00 64.34 62.53 3d29 n VAL 12 Cb 0.32 -1.12 0.05 0.00 -1.47 0.00 0.00 33.84 31.62 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 -1.51 4.40 -4.84 -1.34 3.41 -1.26 -4.46 113.62 108.02 3d29 n SER 13 Ca 0.03 -3.75 -0.35 0.00 -0.26 0.00 0.00 58.87 54.54 3d29 n SER 13 Cb 0.13 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 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 4.73 0.13 6.66 2.01 -0.95 -5.03 115.64 118.81 3d29 s THR 14 Ca 0.49 0.97 -0.10 0.00 0.31 0.00 0.00 61.69 63.35 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 0.47 -0.36 -0.69 0.00 0.00 174.62 174.16 3d29 s PHE 15 N -1.64 3.55 0.61 4.92 0.08 -1.26 -2.96 117.98 121.27 3d29 s PHE 15 Ca 0.44 0.85 -0.04 0.00 0.12 0.00 0.00 56.93 58.31 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 0.44 0.89 -1.54 -0.10 0.00 0.00 175.22 175.11 3d29 s SER 16 N -1.93 5.29 0.38 1.36 1.04 0.18 -4.91 113.70 115.10 3d29 s SER 16 Ca 0.38 0.44 0.26 0.00 0.48 0.00 0.00 55.95 57.51 3d29 s SER 16 Cb -0.14 -1.32 1.34 0.00 0.10 0.00 0.00 66.02 66.00 3d29 s SER 16 CO 0.20 -1.22 1.80 -0.65 0.98 0.00 0.00 173.24 174.35 3d29 h PRO 17 N -0.21 0.00 -0.04 4.02 0.11 -1.99 -1.46 132.00 132.44 3d29 h PRO 17 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 1.77 -0.58 1.05 4.71 -1.26 -4.94 120.64 118.95 3d29 n GLU 18 Ca -0.01 -1.13 0.00 0.00 -0.01 0.00 0.00 57.16 56.02 3d29 n GLU 18 Cb 0.10 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 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 1.20 0.76 3.59 0.62 0.00 -0.55 -5.08 105.19 105.73 3d29 n GLY 19 Ca 0.18 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.24 2.00 -0.37 1.61 0.52 -1.26 -4.87 118.95 115.34 3d29 s ARG 20 Ca 0.00 -1.73 -0.15 0.00 -0.52 0.00 0.00 55.73 53.33 3d29 s ARG 20 Cb 0.00 -1.90 -0.00 0.00 0.52 0.00 0.00 34.95 33.57 3d29 s ARG 20 CO 0.00 0.21 0.35 -0.51 0.02 0.00 0.00 175.30 175.36 3d29 s LEU 21 N -3.66 4.65 0.11 2.53 1.43 -1.26 0.47 118.68 122.95 3d29 s LEU 21 Ca 0.33 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.75 3d29 s LEU 21 Cb -0.02 -2.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 3d29 s LEU 21 CO 0.18 -0.39 1.38 -0.26 0.23 0.00 0.00 176.35 177.49 3d29 h PHE 22 N 8.55 -1.31 -0.91 0.29 -1.00 -1.88 -0.64 116.94 120.05 3d29 h PHE 22 Ca -0.29 0.08 0.17 0.00 2.81 0.00 0.00 57.97 60.75 3d29 h PHE 22 Cb 1.14 0.65 -0.10 0.00 3.61 0.00 0.00 35.95 41.24 3d29 h PHE 22 CO 0.65 -0.28 0.48 1.96 -1.61 0.00 0.00 178.31 179.51 3d29 h GLN 23 N -0.07 0.61 -0.22 1.51 1.08 -1.85 0.49 115.11 116.66 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 0.32 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3d29 h GLN 23 CO -0.60 0.40 0.06 0.28 -0.95 0.00 0.00 178.83 178.02 3d29 h VAL 24 N 0.63 1.20 -0.05 -0.54 2.07 -1.55 -0.10 116.25 117.91 3d29 h VAL 24 Ca 0.52 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3d29 h VAL 24 Cb 0.81 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3d29 h VAL 24 CO -0.40 0.20 -0.01 -0.33 0.02 0.00 0.00 177.57 177.05 3d29 h GLU 25 N 0.18 0.00 -0.23 1.57 4.39 -0.11 -1.38 114.58 119.00 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 0.25 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3d29 h GLU 25 CO -0.00 0.00 0.14 1.88 -1.16 0.00 0.00 179.01 179.87 3d29 h TYR 26 N 0.00 0.29 -0.20 4.33 0.05 -0.86 -1.55 116.97 119.04 3d29 h TYR 26 Ca 0.02 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.81 3d29 h TYR 26 Cb 0.03 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3d29 h TYR 26 CO -0.11 0.20 0.12 1.03 -1.05 0.00 0.00 178.16 178.35 3d29 h SER 27 N 0.31 0.20 -0.83 3.88 0.87 0.03 -2.05 113.55 115.97 3d29 h SER 27 Ca 0.08 -0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.77 3d29 h SER 27 Cb -0.01 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 3d29 h SER 27 CO -0.02 0.15 0.54 -0.07 -0.53 0.00 0.00 176.83 176.90 3d29 h LEU 28 N 0.25 0.59 -0.47 2.23 4.07 -0.40 -1.61 115.31 119.97 3d29 h LEU 28 Ca 0.08 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3d29 h LEU 28 Cb -0.01 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 3d29 h LEU 28 CO -0.03 0.32 0.29 -0.33 -1.08 0.00 0.00 178.44 177.60 3d29 h GLU 29 N 0.64 0.64 -0.04 1.13 4.39 -1.12 -1.51 114.58 118.70 3d29 h GLU 29 Ca 0.41 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 3d29 h GLU 29 Cb 0.67 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3d29 h GLU 29 CO -0.17 0.46 -0.03 0.00 -1.16 0.00 0.00 179.01 178.11 3d29 h ALA 30 N 1.14 1.86 -0.33 3.43 0.00 -1.08 -1.77 119.26 122.51 3d29 h ALA 30 Ca 0.17 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3d29 h ALA 30 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3d29 h ALA 30 CO -0.03 0.11 -0.29 0.82 0.00 0.00 0.00 179.25 179.86 3d29 h ILE 31 N 0.06 1.28 0.00 0.00 2.04 -0.98 -2.69 117.51 117.23 3d29 h ILE 31 Ca 0.02 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 3d29 h ILE 31 Cb 0.10 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3d29 h ILE 31 CO 0.00 0.46 -0.05 0.11 0.00 0.00 0.00 178.15 178.67 3d29 h LYS 32 N 0.59 0.00 -0.01 2.37 1.57 -0.73 -0.67 116.57 119.69 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 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3d29 h LYS 32 CO 0.06 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 180.28 3d29 n LEU 33 N -4.44 0.19 -4.91 2.94 4.77 -1.02 -2.30 117.00 112.23 3d29 n LEU 33 Ca -0.03 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 3d29 n LEU 33 Cb 0.14 -0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.32 3d29 n LEU 33 CO 0.34 0.03 0.74 -0.83 -1.33 0.00 0.00 177.39 176.35 3d29 s GLY 34 N -1.89 1.64 0.42 -0.72 0.00 -0.26 -4.78 107.32 101.74 3d29 s GLY 34 Ca 0.42 -0.81 -0.25 0.00 0.00 0.00 0.00 44.72 44.08 3d29 s GLY 34 CO 0.33 -0.32 1.27 -0.56 0.00 0.00 0.00 173.10 173.82 3d29 s SER 35 N -4.59 6.23 0.52 1.64 0.01 -1.26 -0.54 113.70 115.70 3d29 s SER 35 Ca 0.63 2.57 -0.22 0.00 1.31 0.00 0.00 55.95 60.23 3d29 s SER 35 Cb -0.10 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 3d29 s SER 35 CO 0.48 -0.90 1.32 -0.89 0.41 0.00 0.00 173.24 173.66 3d29 s THR 36 N -1.32 2.30 -0.06 1.44 2.01 -1.26 -4.46 115.64 114.29 3d29 s THR 36 Ca 0.59 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.78 3d29 s THR 36 Cb -0.36 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.05 3d29 s THR 36 CO 0.45 0.00 0.14 0.00 -0.69 0.00 0.00 174.62 174.53 3d29 s ALA 37 N -1.34 -0.33 0.00 7.40 0.00 0.21 -0.66 121.76 127.04 3d29 s ALA 37 Ca 0.69 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3d29 s ALA 37 Cb -0.38 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 3d29 s ALA 37 CO 0.46 -0.09 -0.02 0.42 0.00 0.00 0.00 175.76 176.53 3d29 s ILE 38 N 0.37 0.11 -0.02 0.00 1.01 0.74 -0.60 121.20 122.81 3d29 s ILE 38 Ca -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.48 3d29 s ILE 38 Cb -0.04 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.31 3d29 s ILE 38 CO -0.02 -0.04 -0.09 -0.83 0.00 0.00 0.00 174.94 173.96 3d29 s GLY 39 N -0.22 0.52 -0.08 6.18 0.00 -0.11 -0.47 107.32 113.14 3d29 s GLY 39 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 3d29 s GLY 39 CO -0.00 -0.11 -0.03 -0.42 0.00 0.00 0.00 173.10 172.54 3d29 s ILE 40 N 0.16 0.63 -0.11 0.90 1.01 0.02 -1.16 121.20 122.65 3d29 s ILE 40 Ca -0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 3d29 s ILE 40 Cb -0.08 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 3d29 s ILE 40 CO 0.00 0.30 0.25 0.00 0.00 0.00 0.00 174.94 175.49 3d29 s ALA 41 N 1.75 3.74 0.06 9.38 0.00 0.20 -0.21 121.76 136.67 3d29 s ALA 41 Ca 0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 3d29 s ALA 41 Cb -0.13 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3d29 s ALA 41 CO -0.06 0.39 -0.04 0.95 0.00 0.00 0.00 175.76 177.01 3d29 s THR 42 N -0.49 0.33 -1.91 0.00 -4.23 0.11 -4.87 115.64 104.58 3d29 s THR 42 Ca 0.17 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 3d29 s THR 42 Cb -0.13 -1.30 0.07 0.00 1.34 0.00 0.00 72.50 72.47 3d29 s THR 42 CO 0.06 -0.85 0.68 0.29 -0.54 0.00 0.00 174.62 174.25 3d29 n LYS 43 N 0.40 0.07 0.00 3.99 5.02 -1.26 -0.30 118.16 126.08 3d29 n LYS 43 Ca -0.16 0.04 0.05 0.00 -2.02 0.00 0.00 58.31 56.23 3d29 n LYS 43 Cb 0.60 -1.50 0.02 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 -1.05 1.18 -0.01 1.97 1.02 -1.26 -5.02 120.64 117.47 3d29 n GLU 44 Ca 0.02 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 3d29 n GLU 44 Cb 0.01 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.73 1.02 3.30 0.62 0.00 0.59 -4.79 105.19 106.66 3d29 n GLY 45 Ca 0.05 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.13 1.98 -0.08 1.61 1.01 -0.90 0.06 120.40 122.95 3d29 s VAL 46 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.87 3d29 s VAL 46 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3d29 s VAL 46 CO 0.00 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.84 3d29 s VAL 47 N -0.63 3.57 -0.14 2.92 1.01 0.71 -1.29 120.40 126.56 3d29 s VAL 47 Ca 0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 3d29 s VAL 47 Cb -0.10 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3d29 s VAL 47 CO -0.00 0.58 -0.09 -0.22 0.00 0.00 0.00 175.10 175.37 3d29 s LEU 48 N -0.60 1.45 0.08 3.92 2.96 -0.17 -0.80 118.68 125.51 3d29 s LEU 48 Ca 0.09 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.62 3d29 s LEU 48 Cb -0.12 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.59 3d29 s LEU 48 CO 0.02 -0.12 -0.19 -0.83 -1.32 0.00 0.00 176.35 173.90 3d29 s GLY 49 N 1.63 1.11 0.04 7.98 0.00 0.38 -1.76 107.32 116.70 3d29 s GLY 49 Ca 0.04 -1.12 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 3d29 s GLY 49 CO -0.09 -1.10 0.10 -1.34 0.00 0.00 0.00 173.10 170.68 3d29 s VAL 50 N -1.04 0.13 -0.23 1.40 -7.23 -0.81 -0.18 120.40 112.43 3d29 s VAL 50 Ca 0.05 -1.07 -0.22 0.00 -1.81 0.00 0.00 61.98 58.93 3d29 s VAL 50 Cb -0.09 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 3d29 s VAL 50 CO 0.03 -0.59 0.68 -0.70 -0.31 0.00 0.00 175.10 174.21 3d29 s GLU 51 N -2.57 4.16 0.02 4.82 2.12 0.17 -2.09 118.70 125.33 3d29 s GLU 51 Ca -0.05 0.68 -0.24 0.00 0.36 0.00 0.00 54.97 55.71 3d29 s GLU 51 Cb -0.01 -3.63 -0.13 0.00 0.26 0.00 0.00 34.13 30.62 3d29 s GLU 51 CO -0.04 -0.39 1.16 0.87 -0.54 0.00 0.00 175.26 176.32 3d29 h LYS 52 N 7.72 -0.83 -4.54 4.30 6.56 -1.11 -3.42 116.57 125.25 3d29 h LYS 52 Ca -0.27 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 3d29 h LYS 52 Cb 1.12 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 3d29 h LYS 52 CO 0.80 -0.55 -0.30 -2.13 -2.06 0.00 0.00 179.45 175.21 3d29 n ARG 53 N -4.75 -1.53 -2.87 3.15 0.63 -1.25 -5.00 116.66 105.04 3d29 n ARG 53 Ca -0.11 1.55 -0.41 0.00 -0.92 0.00 0.00 57.85 57.97 3d29 n ARG 53 Cb 0.34 -4.33 -0.04 0.00 0.45 0.00 0.00 32.46 28.88 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 -2.19 3.29 -2.04 5.13 0.00 -1.26 -4.94 121.76 119.75 3d29 s ALA 54 Ca 0.15 0.40 0.14 0.00 0.00 0.00 0.00 51.96 52.65 3d29 s ALA 54 Cb -0.04 -3.14 0.74 0.00 0.00 0.00 0.00 23.12 20.68 3d29 s ALA 54 CO 0.52 -0.02 1.49 0.25 0.00 0.00 0.00 175.76 177.99 3d29 n THR 55 N 3.05 0.06 -3.60 0.00 -2.24 -1.26 -4.86 114.28 105.44 3d29 n THR 55 Ca 0.00 -0.08 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 3d29 n THR 55 Cb 0.50 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.40 -0.17 0.50 3.42 0.15 -1.26 -5.04 113.70 109.90 3d29 s SER 56 Ca 0.22 0.10 0.31 0.00 0.70 0.00 0.00 55.95 57.28 3d29 s SER 56 Cb 0.10 0.15 1.15 0.00 -1.71 0.00 0.00 66.02 65.72 3d29 s SER 56 CO 0.17 -0.21 1.89 1.55 1.20 0.00 0.00 173.24 177.84 3d29 h PRO 57 N 2.14 0.00 0.00 5.44 0.13 -2.05 -3.01 132.00 134.66 3d29 h PRO 57 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3d29 h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 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 -8.91 1.56 3.38 -2.00 -3.44 115.31 105.90 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 0.58 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3d29 h LEU 58 CO 0.00 0.00 1.02 -0.22 0.09 0.00 0.00 178.44 179.33 3d29 s LEU 59 N -5.14 3.78 -0.78 1.67 1.98 -1.14 -4.92 118.68 114.13 3d29 s LEU 59 Ca 0.08 1.12 -0.26 0.00 -2.89 0.00 0.00 54.13 52.18 3d29 s LEU 59 Cb 0.10 -3.54 -0.11 0.00 0.66 0.00 0.00 46.19 43.30 3d29 s LEU 59 CO 0.59 -1.21 2.30 -1.61 -1.89 0.00 0.00 176.35 174.53 3d29 s GLU 60 N 4.47 1.86 0.62 1.98 2.02 -1.26 -4.79 118.70 123.60 3d29 s GLU 60 Ca 0.59 0.44 0.22 0.00 0.02 0.00 0.00 54.97 56.23 3d29 s GLU 60 Cb -0.16 -4.81 0.82 0.00 0.10 0.00 0.00 34.13 30.08 3d29 s GLU 60 CO 0.27 -4.07 1.33 0.66 0.02 0.00 0.00 175.26 173.46 3d29 h SER 61 N 13.22 0.00 -0.15 -0.19 4.64 -1.92 1.00 113.55 130.14 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 1.07 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.13 3d29 n ASP 62 N -3.13 0.99 -1.24 4.97 3.85 -1.26 -2.77 116.55 117.96 3d29 n ASP 62 Ca 0.16 -1.84 0.11 0.00 -0.71 0.00 0.00 54.79 52.51 3d29 n ASP 62 Cb 1.28 -0.10 0.28 0.00 -1.35 0.00 0.00 41.12 41.23 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 -0.03 3.74 -4.47 -1.12 3.41 0.34 -4.81 113.62 110.68 3d29 n SER 63 Ca 0.10 -1.99 -0.43 0.00 -0.26 0.00 0.00 58.87 56.28 3d29 n SER 63 Cb 0.18 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.09 4.98 -0.68 -1.33 -1.09 -1.12 -5.01 121.20 115.86 3d29 s ILE 64 Ca 0.44 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.48 3d29 s ILE 64 Cb 0.23 -4.15 0.18 0.00 -1.58 0.00 0.00 42.46 37.14 3d29 s ILE 64 CO 0.31 -0.58 0.52 -0.70 -1.23 0.00 0.00 174.94 173.26 3d29 s GLU 65 N 2.39 2.78 0.00 2.79 2.12 -1.26 -4.85 118.70 122.67 3d29 s GLU 65 Ca 0.15 -2.61 0.13 0.00 0.36 0.00 0.00 54.97 53.00 3d29 s GLU 65 Cb -0.17 -3.85 0.24 0.00 0.26 0.00 0.00 34.13 30.61 3d29 s GLU 65 CO 0.14 -1.20 1.13 1.63 -0.54 0.00 0.00 175.26 176.42 3d29 n LYS 66 N 3.42 1.94 -3.94 4.30 5.02 -1.26 -4.85 118.16 122.78 3d29 n LYS 66 Ca 0.10 -1.76 -0.26 0.00 -2.02 0.00 0.00 58.31 54.38 3d29 n LYS 66 Cb 0.39 -1.29 -0.17 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.04 0.88 0.09 -0.18 1.01 -1.26 -2.19 121.20 118.51 3d29 s ILE 67 Ca 0.22 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3d29 s ILE 67 Cb 0.13 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 3d29 s ILE 67 CO 0.18 0.34 -0.07 0.68 0.00 0.00 0.00 174.94 176.07 3d29 s VAL 68 N 1.65 0.69 -0.10 2.92 -7.23 -0.54 -4.98 120.40 112.80 3d29 s VAL 68 Ca 0.03 -1.83 -0.19 0.00 -1.81 0.00 0.00 61.98 58.18 3d29 s VAL 68 Cb -0.13 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 3d29 s VAL 68 CO -0.06 -0.81 0.52 -0.70 -0.31 0.00 0.00 175.10 173.73 3d29 s GLU 69 N -3.55 4.34 -0.21 4.82 2.12 -1.26 -0.67 118.70 124.28 3d29 s GLU 69 Ca 0.09 0.53 -0.19 0.00 0.36 0.00 0.00 54.97 55.77 3d29 s GLU 69 Cb 0.03 -3.42 -0.16 0.00 0.26 0.00 0.00 34.13 30.84 3d29 s GLU 69 CO -0.04 0.18 0.07 -0.89 -0.54 0.00 0.00 175.26 174.04 3d29 n ILE 70 N 3.56 1.52 -4.02 -3.70 2.08 0.36 -4.96 119.36 114.20 3d29 n ILE 70 Ca -0.06 -0.05 -0.13 0.00 0.56 0.00 0.00 62.75 63.06 3d29 n ILE 70 Cb 0.52 -2.06 -0.03 0.00 -0.75 0.00 0.00 39.64 37.32 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 -6.83 0.59 0.60 4.38 3.68 -0.52 -4.53 116.67 114.05 3d29 s ASP 71 Ca -0.29 -1.34 0.40 0.00 2.13 0.00 0.00 52.55 53.44 3d29 s ASP 71 Cb 0.07 0.69 2.04 0.00 -1.45 0.00 0.00 42.92 44.27 3d29 s ASP 71 CO 0.54 -1.35 2.20 -0.09 0.13 0.00 0.00 175.17 176.60 3d29 h ARG 72 N 2.11 0.00 -0.14 4.34 2.43 -1.96 -1.89 114.38 119.27 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 -2.97 0.26 -3.71 2.20 1.44 -1.26 -0.93 115.22 110.23 3d29 n HIS 73 Ca -0.02 -0.63 -0.12 0.00 -2.01 0.00 0.00 57.72 54.94 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 -1.52 -0.10 0.20 0.61 1.01 -0.71 -1.18 121.20 119.51 3d29 s ILE 74 Ca 0.17 0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.00 3d29 s ILE 74 Cb 0.12 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 42.14 3d29 s ILE 74 CO 0.06 0.07 0.06 -0.83 0.00 0.00 0.00 174.94 174.30 3d29 s GLY 75 N 1.46 1.39 0.04 6.18 0.00 0.81 -0.49 107.32 116.71 3d29 s GLY 75 Ca -0.08 -1.68 -0.18 0.00 0.00 0.00 0.00 44.72 42.78 3d29 s GLY 75 CO -0.09 -1.51 0.41 0.00 0.00 0.00 0.00 173.10 171.91 3d29 s ALA 77 N -2.37 2.64 0.16 0.00 0.00 -0.02 -1.47 121.76 120.70 3d29 s ALA 77 Ca -0.06 -1.14 0.10 0.00 0.00 0.00 0.00 51.96 50.86 3d29 s ALA 77 Cb -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3d29 s ALA 77 CO -0.02 0.57 -0.23 0.00 0.00 0.00 0.00 175.76 176.09 3d29 s MET 78 N -1.33 1.37 -0.11 0.00 0.23 -0.93 -0.16 119.30 118.38 3d29 s MET 78 Ca 0.14 -1.40 -0.06 0.00 -1.03 0.00 0.00 55.69 53.35 3d29 s MET 78 Cb -0.11 -1.66 0.05 0.00 -1.53 0.00 0.00 34.83 31.58 3d29 s MET 78 CO 0.05 0.37 0.26 0.45 -2.03 0.00 0.00 175.02 174.11 3d29 s SER 79 N -2.42 -0.28 0.00 -1.18 0.15 -0.83 -4.88 113.70 104.27 3d29 s SER 79 Ca 0.16 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.36 3d29 s SER 79 Cb -0.08 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3d29 s SER 79 CO 0.07 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.96 3d29 n GLY 80 N 4.17 0.27 3.57 9.45 0.00 -1.26 -0.91 105.19 120.48 3d29 n GLY 80 Ca -0.25 -1.86 -0.35 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 3.41 0.57 0.99 1.43 0.22 -4.81 118.68 120.49 3d29 s LEU 81 Ca 0.00 -1.64 0.30 0.00 -1.03 0.00 0.00 54.13 51.76 3d29 s LEU 81 Cb 0.00 -2.58 1.45 0.00 0.03 0.00 0.00 46.19 45.09 3d29 s LEU 81 CO 0.00 -2.08 1.86 0.71 0.23 0.00 0.00 176.35 177.07 3d29 h THR 82 N 6.37 0.41 0.00 5.49 1.35 -1.89 -0.37 112.91 124.26 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 0.95 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3d29 h THR 82 CO 1.34 0.00 -0.16 0.00 -0.25 0.00 0.00 175.52 176.45 3d29 h ALA 83 N 1.44 1.35 0.00 6.62 0.00 -1.97 -2.10 119.26 124.59 3d29 h ALA 83 Ca 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3d29 h ALA 83 Cb 1.50 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3d29 h ALA 83 CO -0.00 0.19 -0.08 -0.44 0.00 0.00 0.00 179.25 178.92 3d29 h ASP 84 N 0.00 0.00 1.24 0.00 3.45 -1.44 -3.10 116.42 116.56 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 0.08 0.00 0.00 -1.57 0.00 0.00 179.24 177.77 3d29 n ALA 85 N -2.15 2.19 0.10 3.45 0.00 -0.79 -4.03 120.51 119.27 3d29 n ALA 85 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 3d29 n ALA 85 Cb 0.32 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.23 0.00 0.00 2.47 -1.68 -0.45 114.38 114.49 3d29 h ARG 86 Ca 0.00 0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 3d29 h ARG 86 Cb 0.62 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 3d29 h ARG 86 CO 0.00 -0.15 -0.27 0.66 0.56 0.00 0.00 179.97 180.76 3d29 h SER 87 N -0.24 0.00 -0.42 7.04 4.64 -1.83 -1.70 113.55 121.04 3d29 h SER 87 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3d29 h SER 87 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3d29 h SER 87 CO -0.04 0.27 -0.16 0.24 -0.87 0.00 0.00 176.83 176.27 3d29 h MET 88 N 0.00 0.90 -0.23 4.77 2.86 -1.57 -1.91 114.93 119.76 3d29 h MET 88 Ca -0.00 -0.35 -0.14 0.00 -2.06 0.00 0.00 59.70 57.15 3d29 h MET 88 Cb 0.52 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3d29 h MET 88 CO 0.04 1.00 -0.42 0.82 1.06 0.00 0.00 176.91 179.40 3d29 h ILE 89 N 0.80 1.31 -0.45 -1.22 1.08 -0.62 -0.49 117.51 117.92 3d29 h ILE 89 Ca 0.12 -1.63 0.03 0.00 -0.39 0.00 0.00 64.86 62.98 3d29 h ILE 89 Cb 0.70 1.78 -0.03 0.00 -3.07 0.00 0.00 36.82 36.20 3d29 h ILE 89 CO 0.05 0.51 0.24 -0.08 -0.69 0.00 0.00 178.15 178.19 3d29 h GLU 90 N 0.40 0.46 -0.41 2.37 4.57 -1.29 0.21 114.58 120.91 3d29 h GLU 90 Ca 0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3d29 h GLU 90 Cb 1.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3d29 h GLU 90 CO 0.09 0.31 0.16 1.25 -1.18 0.00 0.00 179.01 179.64 3d29 h HIS 91 N 0.48 0.62 -0.58 0.92 2.76 -1.25 -0.39 115.15 117.71 3d29 h HIS 91 Ca 0.19 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3d29 h HIS 91 Cb 0.07 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 3d29 h HIS 91 CO -0.09 0.55 0.25 0.00 -1.30 0.00 0.00 177.93 177.35 3d29 h ALA 92 N 1.00 0.76 -0.46 5.26 0.00 -0.49 -0.48 119.26 124.84 3d29 h ALA 92 Ca 0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 92 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3d29 h ALA 92 CO -0.01 0.35 0.05 0.00 0.00 0.00 0.00 179.25 179.63 3d29 h ARG 93 N 0.80 0.77 -0.83 0.00 3.08 -0.45 -0.95 114.38 116.81 3d29 h ARG 93 Ca 0.20 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3d29 h ARG 93 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3d29 h ARG 93 CO -0.02 0.81 0.39 1.15 -1.07 0.00 0.00 179.97 181.23 3d29 h THR 94 N 0.63 1.26 -0.47 2.04 2.02 -0.87 -0.19 112.91 117.33 3d29 h THR 94 Ca 0.14 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 3d29 h THR 94 Cb 0.43 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3d29 h THR 94 CO 0.01 0.32 -0.05 0.00 0.37 0.00 0.00 175.52 176.17 3d29 h ALA 95 N 1.21 0.64 -0.34 6.16 0.00 -0.87 0.13 119.26 126.19 3d29 h ALA 95 Ca 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d29 h ALA 95 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3d29 h ALA 95 CO -0.03 0.48 0.10 0.00 0.00 0.00 0.00 179.25 179.80 3d29 h ALA 96 N 0.90 0.45 -0.22 0.00 0.00 -0.75 -1.25 119.26 118.39 3d29 h ALA 96 Ca 0.13 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3d29 h ALA 96 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3d29 h ALA 96 CO 0.03 0.09 -0.53 0.28 0.00 0.00 0.00 179.25 179.12 3d29 h VAL 97 N 0.39 1.31 -0.48 0.00 2.07 -0.98 -3.08 116.25 115.49 3d29 h VAL 97 Ca 0.11 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 65.77 3d29 h VAL 97 Cb 0.26 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3d29 h VAL 97 CO -0.00 0.55 -0.12 0.74 0.02 0.00 0.00 177.57 178.76 3d29 h THR 98 N 0.49 1.26 -0.49 2.57 2.02 -0.63 -1.54 112.91 116.59 3d29 h THR 98 Ca 0.01 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 3d29 h THR 98 Cb 1.08 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3d29 h THR 98 CO 0.10 0.42 0.19 -0.74 0.37 0.00 0.00 175.52 175.87 3d29 h HIS 99 N 0.79 0.70 -0.43 3.16 6.17 -1.20 -0.86 115.15 123.47 3d29 h HIS 99 Ca 0.13 -0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.04 3d29 h HIS 99 Cb 0.64 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.34 3d29 h HIS 99 CO 0.04 0.55 -0.28 -0.97 0.71 0.00 0.00 177.93 177.98 3d29 h ASN 100 N 0.70 0.99 -0.66 3.26 -0.73 -1.37 0.17 115.58 117.93 3d29 h ASN 100 Ca 0.17 -0.43 -0.05 0.00 1.87 0.00 0.00 56.30 57.86 3d29 h ASN 100 Cb 0.15 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.43 3d29 h ASN 100 CO -0.02 1.20 0.20 0.25 -0.37 0.00 0.00 177.43 178.70 3d29 h LEU 101 N 0.78 0.97 0.00 0.34 5.85 -0.57 0.66 115.31 123.35 3d29 h LEU 101 Ca 0.09 -0.21 -0.22 0.00 0.84 0.00 0.00 57.88 58.37 3d29 h LEU 101 Cb 0.86 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3d29 h LEU 101 CO 0.08 0.93 -1.31 1.88 -0.34 0.00 0.00 178.44 179.67 3d29 h TYR 102 N 0.97 0.00 -0.00 1.25 0.05 -1.11 -3.39 116.97 114.73 3d29 h TYR 102 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3d29 h TYR 102 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3d29 h TYR 102 CO 0.02 0.86 -0.04 0.66 -1.05 0.00 0.00 178.16 178.61 3d29 n TYR 103 N -3.12 0.00 -3.71 4.88 4.02 0.57 -5.01 117.16 114.79 3d29 n TYR 103 Ca -0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.57 3d29 n TYR 103 Cb 0.94 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.31 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 -0.07 -3.34 -3.62 7.72 4.64 0.22 -4.97 116.55 117.13 3d29 n ASP 104 Ca 0.02 -0.73 -0.09 0.00 -1.38 0.00 0.00 54.79 52.61 3d29 n ASP 104 Cb 0.10 -4.33 -0.02 0.00 -1.04 0.00 0.00 41.12 35.83 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 -6.15 1.38 0.60 -0.67 -1.05 -1.25 -5.07 118.70 106.49 3d29 s GLU 105 Ca 0.31 -0.65 -0.13 0.00 -0.15 0.00 0.00 54.97 54.36 3d29 s GLU 105 Cb -0.15 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 3d29 s GLU 105 CO 0.79 -0.62 1.03 -0.51 0.95 0.00 0.00 175.26 176.90 3d29 s ASP 106 N -2.80 6.12 0.17 0.83 -0.00 -1.26 -3.53 116.67 116.20 3d29 s ASP 106 Ca 0.06 1.54 -0.23 0.00 -0.00 0.00 0.00 52.55 53.93 3d29 s ASP 106 Cb -0.03 -2.49 -0.08 0.00 -0.00 0.00 0.00 42.92 40.32 3d29 s ASP 106 CO -0.04 -0.94 0.73 -0.51 -0.00 0.00 0.00 175.17 174.41 3d29 s ILE 107 N -2.92 4.48 0.27 0.77 2.07 -1.26 -4.94 121.20 119.67 3d29 s ILE 107 Ca 0.58 1.51 -0.29 0.00 -1.41 0.00 0.00 60.65 61.04 3d29 s ILE 107 Cb -0.12 -4.02 -0.09 0.00 0.13 0.00 0.00 42.46 38.35 3d29 s ILE 107 CO 0.46 0.45 1.23 0.20 -1.91 0.00 0.00 174.94 175.36 3d29 s ASN 108 N -1.27 6.99 0.31 4.50 0.02 -1.26 -4.90 114.94 119.33 3d29 s ASN 108 Ca 0.36 2.44 0.06 0.00 -1.02 0.00 0.00 52.86 54.70 3d29 s ASN 108 Cb -0.21 -2.63 0.72 0.00 0.02 0.00 0.00 41.25 39.15 3d29 s ASN 108 CO 0.24 -0.39 1.81 0.58 0.02 0.00 0.00 177.10 179.35 3d29 h VAL 109 N 3.28 0.78 -0.46 1.60 2.07 -1.95 -1.43 116.25 120.13 3d29 h VAL 109 Ca -0.47 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3d29 h VAL 109 Cb 1.22 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3d29 h VAL 109 CO 0.69 0.15 0.18 -0.08 0.02 0.00 0.00 177.57 178.53 3d29 h GLU 110 N 0.80 0.69 -0.27 1.57 4.81 -1.99 -1.80 114.58 118.39 3d29 h GLU 110 Ca 0.54 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 3d29 h GLU 110 Cb 0.79 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3d29 h GLU 110 CO -0.32 0.63 0.10 0.77 -0.73 0.00 0.00 179.01 179.46 3d29 h SER 111 N 0.60 0.38 -0.87 1.04 0.02 -1.68 -0.16 113.55 112.88 3d29 h SER 111 Ca 0.15 -0.17 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 3d29 h SER 111 Cb 0.20 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 3d29 h SER 111 CO -0.01 0.44 0.51 0.25 -1.14 0.00 0.00 176.83 176.88 3d29 h LEU 112 N 0.28 0.73 -0.26 5.07 7.12 -1.19 0.23 115.31 127.29 3d29 h LEU 112 Ca 0.09 0.05 -0.05 0.00 0.13 0.00 0.00 57.88 58.11 3d29 h LEU 112 Cb 0.19 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 3d29 h LEU 112 CO -0.01 0.40 -0.02 0.74 -0.13 0.00 0.00 178.44 179.42 3d29 h THR 113 N 0.83 1.27 -0.74 1.05 2.02 -0.89 -2.21 112.91 114.23 3d29 h THR 113 Ca 0.43 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 66.67 3d29 h THR 113 Cb 0.43 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3d29 h THR 113 CO -0.26 0.30 0.49 -0.61 0.37 0.00 0.00 175.52 175.81 3d29 h GLN 114 N 0.23 0.89 -0.31 6.66 5.75 0.02 -1.36 115.11 126.99 3d29 h GLN 114 Ca 0.07 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3d29 h GLN 114 Cb 0.46 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 3d29 h GLN 114 CO 0.02 0.59 0.13 1.03 -2.65 0.00 0.00 178.83 177.95 3d29 h SER 115 N 0.92 0.43 -0.63 -0.69 0.87 -0.34 -2.02 113.55 112.09 3d29 h SER 115 Ca 0.29 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3d29 h SER 115 Cb 0.03 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3d29 h SER 115 CO -0.08 0.47 0.31 0.58 -0.53 0.00 0.00 176.83 177.57 3d29 h VAL 116 N 0.36 1.21 0.00 2.23 2.07 -0.77 -2.49 116.25 118.86 3d29 h VAL 116 Ca 0.11 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3d29 h VAL 116 Cb 0.17 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3d29 h VAL 116 CO -0.01 0.24 -0.13 0.00 0.02 0.00 0.00 177.57 177.70 3d29 h ASP 118 N 0.00 0.00 0.87 0.00 3.45 -0.88 -2.07 116.42 117.79 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 0.33 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 3d29 h ASP 118 CO 0.02 0.10 -0.89 -0.07 -1.57 0.00 0.00 179.24 176.82 3d29 h LEU 119 N 0.00 0.02 0.00 1.55 3.38 -1.57 -3.39 115.31 115.30 3d29 h LEU 119 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d29 h LEU 119 Cb 0.38 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3d29 h LEU 119 CO 0.01 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.44 3d29 n ALA 120 N -2.38 0.00 1.62 1.53 0.00 -0.78 -0.78 120.51 119.72 3d29 n ALA 120 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 3d29 n ALA 120 Cb 0.84 0.32 0.06 0.00 0.00 0.00 0.00 19.45 20.67 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 -2.29 0.00 -1.88 0.00 4.77 -1.26 -4.36 117.00 111.97 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 1.10 0.54 -1.33 0.00 0.00 177.39 177.70 3d29 n ARG 122 N -0.54 1.19 -4.60 3.23 1.74 0.04 -4.81 116.66 112.91 3d29 n ARG 122 Ca 0.02 -0.42 -0.27 0.00 -0.77 0.00 0.00 57.85 56.40 3d29 n ARG 122 Cb 0.01 -1.53 -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 0.99 2.02 0.00 -1.55 -0.71 -1.26 -3.82 117.98 113.66 3d29 s PHE 123 Ca 0.28 -0.97 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 3d29 s PHE 123 Cb 0.13 -1.47 0.00 0.00 -1.21 0.00 0.00 43.02 40.48 3d29 s PHE 123 CO 0.00 0.10 0.00 0.41 -1.34 0.00 0.00 175.22 174.39 3d29 n GLY 12 N -0.98 1.78 0.97 1.99 0.00 0.07 -4.76 105.19 104.28 3d29 n GLY 12 Ca -0.09 -1.99 0.08 0.00 0.00 0.00 0.00 46.02 44.02 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 3.14 0.00 1.61 1.02 -1.26 -4.44 120.64 119.04 3d29 n GLU 12 Ca 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 3d29 n GLU 12 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 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 0.17 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 -0.74 4.61 0.00 -1.26 -4.95 121.76 122.87 3d29 s ALA 12 Ca 0.00 0.23 -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 19.32 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 2.62 4.66 0.00 0.00 0.01 -1.26 -3.99 113.70 115.75 3d29 s SER 12 Ca 0.57 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.86 3d29 s SER 12 Cb -0.19 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3d29 s SER 12 CO 0.21 -3.04 0.00 0.61 0.41 0.00 0.00 173.24 171.43 3d29 n GLY 12 N 6.47 0.12 0.00 3.44 0.00 -1.26 -5.13 105.19 108.84 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 -3.19 1.61 2.13 -1.26 -5.05 120.64 114.87 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 0.89 -2.24 5.31 2.13 -1.26 -4.97 120.64 120.49 3d29 n GLU 125 Ca 0.00 -3.34 -0.34 0.00 0.66 0.00 0.00 57.16 54.13 3d29 n GLU 125 Cb 0.00 -1.40 -0.04 0.00 0.27 0.00 0.00 31.44 30.27 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 -1.60 2.91 -0.40 5.31 3.03 -1.26 -4.94 118.95 121.99 3d29 s ARG 126 Ca 0.37 -0.33 -0.11 0.00 2.03 0.00 0.00 55.73 57.69 3d29 s ARG 126 Cb 0.22 -4.91 0.05 0.00 -1.03 0.00 0.00 34.95 29.28 3d29 s ARG 126 CO -0.10 -2.81 0.25 -1.17 -1.13 0.00 0.00 175.30 170.35 3d29 s LEU 127 N 8.06 5.00 0.00 -1.89 2.96 -1.25 -4.17 118.68 127.39 3d29 s LEU 127 Ca 0.59 -1.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 3d29 s LEU 127 Cb -0.06 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.59 3d29 s LEU 127 CO 0.03 -0.47 0.00 0.80 -1.32 0.00 0.00 176.35 175.39 3d29 n MET 128 N 5.01 0.00 0.17 1.98 1.56 -1.25 -4.91 117.12 119.68 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 0.48 0.00 2.15 0.00 0.00 33.22 36.30 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 0.23 113.55 117.55 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 -3.34 1.44 0.99 4.77 1.70 -1.26 -4.48 118.95 118.77 3d29 s ARG 130 Ca 0.05 -0.90 -0.13 0.00 -0.47 0.00 0.00 55.73 54.29 3d29 s ARG 130 Cb 0.09 0.53 0.18 0.00 -0.57 0.00 0.00 34.95 35.19 3d29 s ARG 130 CO 0.50 -0.62 1.11 -2.14 -1.08 0.00 0.00 175.30 173.08 3d29 s PRO 131 N -3.89 0.53 0.47 3.89 0.02 -1.26 -4.81 135.00 129.96 3d29 s PRO 131 Ca 0.10 0.37 -0.21 0.00 0.02 0.00 0.00 61.00 61.29 3d29 s PRO 131 Cb -0.02 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 3d29 s PRO 131 CO -0.01 -2.63 1.01 -0.06 -0.33 0.00 0.00 177.00 174.99 3d29 s PHE 132 N -3.09 3.09 -0.44 6.54 2.99 -1.26 -4.98 117.98 120.82 3d29 s PHE 132 Ca 0.65 1.59 0.04 0.00 0.00 0.00 0.00 56.93 59.21 3d29 s PHE 132 Cb -0.17 -3.01 0.48 0.00 0.00 0.00 0.00 43.02 40.33 3d29 s PHE 132 CO 0.56 -0.63 1.61 0.41 -0.00 0.00 0.00 175.22 177.18 3d29 n GLY 133 N -0.33 5.76 3.16 4.36 0.00 -1.26 -4.72 105.19 112.16 3d29 n GLY 133 Ca 0.09 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 -4.31 0.03 0.32 1.61 0.11 -1.26 0.70 120.40 117.59 3d29 s VAL 134 Ca 0.55 -0.24 0.08 0.00 -2.93 0.00 0.00 61.98 59.44 3d29 s VAL 134 Cb 0.45 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.84 3d29 s VAL 134 CO 0.02 -0.13 0.22 0.00 -3.33 0.00 0.00 175.10 171.88 3d29 s ALA 135 N -0.48 3.68 0.03 1.54 0.00 -0.08 -4.41 121.76 122.03 3d29 s ALA 135 Ca -0.06 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.27 3d29 s ALA 135 Cb -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3d29 s ALA 135 CO 0.01 0.08 -0.05 -0.51 0.00 0.00 0.00 175.76 175.29 3d29 s LEU 136 N -3.92 2.23 -0.28 0.00 1.43 -0.60 -1.96 118.68 115.59 3d29 s LEU 136 Ca 0.38 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3d29 s LEU 136 Cb -0.06 -0.03 0.04 0.00 0.03 0.00 0.00 46.19 46.18 3d29 s LEU 136 CO 0.25 -0.24 -0.04 -0.76 0.23 0.00 0.00 176.35 175.79 3d29 s LEU 137 N -1.41 3.58 -0.27 1.79 1.43 0.78 -0.75 118.68 123.83 3d29 s LEU 137 Ca -0.12 -1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.72 3d29 s LEU 137 Cb -0.09 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3d29 s LEU 137 CO -0.00 -0.20 0.15 -0.63 0.23 0.00 0.00 176.35 175.89 3d29 s ILE 138 N 1.25 4.99 -0.02 -0.59 1.01 0.78 -0.84 121.20 127.79 3d29 s ILE 138 Ca -0.04 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.75 3d29 s ILE 138 Cb -0.19 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 3d29 s ILE 138 CO -0.03 0.29 -0.25 0.00 0.00 0.00 0.00 174.94 174.94 3d29 s ALA 139 N 1.65 2.20 0.00 9.38 0.00 0.29 0.17 121.76 135.44 3d29 s ALA 139 Ca 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3d29 s ALA 139 Cb -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3d29 s ALA 139 CO 0.08 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.78 3d29 n GLY 140 N 2.39 0.92 3.10 0.00 0.00 -0.67 -0.13 105.19 110.79 3d29 n GLY 140 Ca -0.16 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.55 -0.16 0.00 1.61 2.46 -0.32 -1.04 115.29 114.30 3d29 s HIS 141 Ca 0.00 0.37 -0.15 0.00 0.47 0.00 0.00 55.06 55.75 3d29 s HIS 141 Cb 0.00 0.05 0.02 0.00 -0.13 0.00 0.00 32.58 32.52 3d29 s HIS 141 CO 0.00 -0.17 0.32 0.16 -2.47 0.00 0.00 174.74 172.59 3d29 s ASP 142 N -0.33 -0.19 0.33 9.88 3.84 -1.11 -4.82 116.67 124.27 3d29 s ASP 142 Ca -0.04 0.03 0.20 0.00 -0.00 0.00 0.00 52.55 52.74 3d29 s ASP 142 Cb -0.03 0.33 1.10 0.00 -1.38 0.00 0.00 42.92 42.94 3d29 s ASP 142 CO 0.01 -0.50 1.60 0.00 -0.00 0.00 0.00 175.17 176.27 3d29 n ALA 143 N 1.06 0.96 -0.00 2.11 0.00 -1.26 -0.93 120.51 122.45 3d29 n ALA 143 Ca -0.21 0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 3d29 n ALA 143 Cb 0.57 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 3d29 n ALA 143 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3d29 h ASP 144 N 0.00 0.37 0.00 0.00 5.19 -2.02 -3.41 116.42 116.55 3d29 h ASP 144 Ca 0.00 -0.86 0.00 0.00 -0.62 0.00 0.00 57.03 55.55 3d29 h ASP 144 Cb 0.12 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3d29 h ASP 144 CO 0.00 1.72 -0.09 0.47 -3.12 0.00 0.00 179.24 178.23 3d29 n ASP 14 N -3.78 1.55 0.00 6.45 9.92 -1.18 -5.12 116.55 124.40 3d29 n ASP 14 Ca -0.29 -2.32 0.00 0.00 -0.53 0.00 0.00 54.79 51.65 3d29 n ASP 14 Cb 0.95 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 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 -0.74 2.25 3.72 0.44 0.00 -0.11 -4.65 105.19 106.11 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 3.37 0.01 1.61 2.02 -1.26 -2.74 117.35 120.36 3d29 s TYR 146 Ca 0.00 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 3d29 s TYR 146 Cb 0.00 -3.50 -0.01 0.00 -0.40 0.00 0.00 41.96 38.04 3d29 s TYR 146 CO 0.00 -1.58 -0.03 -0.65 -1.57 0.00 0.00 175.55 171.72 3d29 s GLN 147 N 0.57 0.25 -0.09 -0.62 -0.21 -0.20 -4.98 119.66 114.38 3d29 s GLN 147 Ca 0.58 -0.40 0.02 0.00 0.02 0.00 0.00 55.36 55.58 3d29 s GLN 147 Cb -0.33 -0.03 0.01 0.00 1.00 0.00 0.00 33.01 33.66 3d29 s GLN 147 CO 0.33 -0.00 -0.13 -1.17 -2.12 0.00 0.00 175.29 172.19 3d29 s LEU 148 N -0.89 1.63 0.08 2.90 2.96 -1.26 -1.67 118.68 122.44 3d29 s LEU 148 Ca -0.08 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3d29 s LEU 148 Cb -0.06 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 3d29 s LEU 148 CO -0.00 0.01 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.49 3d29 s PHE 149 N 0.89 1.67 -0.21 5.38 0.08 0.13 -1.14 117.98 124.77 3d29 s PHE 149 Ca -0.10 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.53 3d29 s PHE 149 Cb -0.15 -0.93 0.01 0.00 -0.57 0.00 0.00 43.02 41.38 3d29 s PHE 149 CO 0.01 0.15 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.58 3d29 s HIS 150 N -1.10 2.91 -0.18 0.36 5.65 0.36 -0.15 115.29 123.15 3d29 s HIS 150 Ca 0.05 -1.44 -0.01 0.00 0.25 0.00 0.00 55.06 53.91 3d29 s HIS 150 Cb -0.10 -2.01 -0.00 0.00 -1.18 0.00 0.00 32.58 29.30 3d29 s HIS 150 CO 0.03 -0.72 -0.12 0.00 -0.65 0.00 0.00 174.74 173.29 3d29 s ALA 151 N 1.35 2.59 0.24 1.58 0.00 0.07 -1.51 121.76 126.08 3d29 s ALA 151 Ca 0.04 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 50.96 3d29 s ALA 151 Cb -0.14 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 3d29 s ALA 151 CO -0.08 -0.23 0.04 -1.21 0.00 0.00 0.00 175.76 174.28 3d29 s GLU 152 N 1.13 2.46 0.00 0.00 2.02 -0.99 -1.55 118.70 121.76 3d29 s GLU 152 Ca 0.01 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 53.74 3d29 s GLU 152 Cb -0.14 -2.29 0.05 0.00 0.10 0.00 0.00 34.13 31.84 3d29 s GLU 152 CO -0.04 0.39 0.43 -2.30 0.02 0.00 0.00 175.26 173.77 3d29 n PRO 153 N -0.79 0.03 0.14 0.39 -0.02 -1.26 -1.21 135.00 132.27 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 -1.38 0.04 0.00 -0.02 0.00 0.00 33.50 32.72 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 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3d29 n GLY 155 N 1.21 0.34 3.95 -0.77 0.00 -0.35 -4.66 105.19 104.90 3d29 n GLY 155 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 5.20 -0.10 2.61 -4.23 -1.26 -4.75 115.64 111.12 3d29 s THR 156 Ca 0.00 -0.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.72 3d29 s THR 156 Cb 0.00 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.05 3d29 s THR 156 CO 0.00 -0.36 0.39 0.72 -0.54 0.00 0.00 174.62 174.83 3d29 s PHE 157 N -2.06 -0.36 0.19 3.99 -0.12 -1.26 -2.36 117.98 116.01 3d29 s PHE 157 Ca 0.37 0.79 0.09 0.00 -0.05 0.00 0.00 56.93 58.14 3d29 s PHE 157 Cb -0.10 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3d29 s PHE 157 CO 0.31 -0.30 -0.19 0.71 -0.05 0.00 0.00 175.22 175.70 3d29 s TYR 158 N -0.43 1.97 -0.17 3.49 2.02 -0.57 -4.94 117.35 118.72 3d29 s TYR 158 Ca -0.06 -0.44 -0.09 0.00 -0.37 0.00 0.00 57.07 56.12 3d29 s TYR 158 Cb -0.03 -0.95 -0.05 0.00 -0.40 0.00 0.00 41.96 40.53 3d29 s TYR 158 CO 0.02 0.42 0.13 0.50 -1.57 0.00 0.00 175.55 175.05 3d29 s ARG 159 N -2.97 3.86 0.06 -0.62 3.52 -1.26 -0.48 118.95 121.06 3d29 s ARG 159 Ca 0.19 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.66 3d29 s ARG 159 Cb -0.05 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 3d29 s ARG 159 CO 0.08 0.50 -0.15 0.71 -0.81 0.00 0.00 175.30 175.63 3d29 s TYR 160 N -0.21 1.32 0.06 5.12 1.51 -0.29 -4.98 117.35 119.87 3d29 s TYR 160 Ca 0.11 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.86 3d29 s TYR 160 Cb -0.11 -0.76 -0.11 0.00 -0.11 0.00 0.00 41.96 40.86 3d29 s TYR 160 CO 0.01 0.06 1.34 -0.91 -1.11 0.00 0.00 175.55 174.94 3d29 h ASN 161 N 4.61 0.00 -4.15 2.29 -0.26 -1.93 -3.36 115.58 112.77 3d29 h ASN 161 Ca -0.40 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.30 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 0.86 0.16 0.00 -1.06 0.00 0.00 177.43 177.81 3d29 s ALA 162 N -2.81 -1.79 -0.23 -0.83 0.00 -1.26 -0.63 121.76 114.21 3d29 s ALA 162 Ca 0.02 1.89 -0.23 0.00 0.00 0.00 0.00 51.96 53.64 3d29 s ALA 162 Cb 0.09 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.31 3d29 s ALA 162 CO 0.80 -0.34 0.64 0.21 0.00 0.00 0.00 175.76 177.07 3d29 s LYS 163 N 0.07 0.76 -0.03 0.00 2.47 -0.31 -5.00 119.74 117.69 3d29 s LYS 163 Ca -0.02 0.86 0.05 0.00 -1.56 0.00 0.00 55.97 55.30 3d29 s LYS 163 Cb -0.04 0.37 -0.01 0.00 -1.46 0.00 0.00 37.83 36.69 3d29 s LYS 163 CO 0.02 -0.10 -0.19 0.00 0.16 0.00 0.00 175.35 175.25 3d29 s ALA 164 N 0.26 1.61 0.06 3.13 0.00 -1.26 -0.94 121.76 124.63 3d29 s ALA 164 Ca -0.01 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3d29 s ALA 164 Cb -0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3d29 s ALA 164 CO 0.01 0.34 -0.10 0.96 0.00 0.00 0.00 175.76 176.98 3d29 s ILE 165 N -0.21 0.76 0.00 0.00 -4.36 0.23 -4.78 121.20 112.84 3d29 s ILE 165 Ca 0.01 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 3d29 s ILE 165 Cb -0.10 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 42.67 3d29 s ILE 165 CO 0.01 -0.42 0.00 0.61 0.24 0.00 0.00 174.94 175.38 3d29 n GLY 166 N 1.12 -0.25 0.27 6.27 0.00 -1.26 -0.62 105.19 110.72 3d29 n GLY 166 Ca -0.20 -2.21 -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 -1.00 -0.32 1.61 4.64 -0.39 -2.73 113.55 115.36 3d29 h SER 167 Ca 0.00 0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3d29 h SER 167 Cb 0.00 0.39 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 3d29 h SER 167 CO 0.00 -0.27 0.09 0.61 -0.87 0.00 0.00 176.83 176.39 3d29 n GLY 168 N -1.25 2.46 0.18 -0.77 0.00 -1.26 -4.61 105.19 99.95 3d29 n GLY 168 Ca -0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 1.36 -0.40 -0.99 1.61 4.64 -1.77 -1.18 113.55 116.82 3d29 h SER 169 Ca 0.09 0.05 0.20 0.00 -0.47 0.00 0.00 61.79 61.67 3d29 h SER 169 Cb 1.37 0.16 -0.10 0.00 -0.31 0.00 0.00 62.40 63.53 3d29 h SER 169 CO 0.31 -0.20 0.62 1.05 -0.87 0.00 0.00 176.83 177.73 3d29 h GLU 170 N -0.26 0.65 0.03 4.77 9.09 -1.84 0.59 114.58 127.62 3d29 h GLU 170 Ca 0.04 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 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 -0.11 0.43 -0.01 0.78 0.05 0.00 0.00 179.01 180.14 3d29 h GLY 171 N 0.67 -0.04 0.85 1.06 0.00 -1.88 -2.94 103.07 100.79 3d29 h GLY 171 Ca 0.57 0.01 0.08 0.00 0.00 0.00 0.00 47.33 48.00 3d29 h GLY 171 CO -0.35 -0.01 0.54 0.00 0.00 0.00 0.00 176.54 176.71 3d29 h ALA 172 N 0.11 1.67 -0.33 3.60 0.00 -0.18 -0.67 119.26 123.45 3d29 h ALA 172 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3d29 h ALA 172 Cb 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3d29 h ALA 172 CO 0.01 0.18 -0.27 0.37 0.00 0.00 0.00 179.25 179.53 3d29 h GLN 173 N 0.83 0.69 -0.67 0.00 5.75 0.06 -0.11 115.11 121.66 3d29 h GLN 173 Ca 0.37 -0.29 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3d29 h GLN 173 Cb 0.35 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3d29 h GLN 173 CO -0.14 0.89 0.29 0.00 -2.65 0.00 0.00 178.83 177.21 3d29 h ALA 174 N 1.10 0.87 0.67 3.38 0.00 -0.98 -0.07 119.26 124.23 3d29 h ALA 174 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3d29 h ALA 174 Cb 0.77 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3d29 h ALA 174 CO 0.06 0.48 -0.32 1.49 0.00 0.00 0.00 179.25 180.96 3d29 h GLU 175 N 0.95 -0.86 -0.88 0.00 4.57 -0.74 -2.64 114.58 114.98 3d29 h GLU 175 Ca 0.23 0.06 0.20 0.00 -1.18 0.00 0.00 59.36 58.66 3d29 h GLU 175 Cb 0.18 0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 3d29 h GLU 175 CO -0.02 -0.57 0.58 -0.07 -1.18 0.00 0.00 179.01 177.75 3d29 h LEU 176 N -0.90 0.37 -1.95 1.64 3.38 -0.73 0.34 115.31 117.46 3d29 h LEU 176 Ca -0.09 0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3d29 h LEU 176 Cb 0.69 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3d29 h LEU 176 CO 0.15 0.16 0.21 0.25 0.09 0.00 0.00 178.44 179.30 3d29 h LEU 177 N 0.38 0.05 0.00 1.67 7.12 -0.63 -2.29 115.31 121.60 3d29 h LEU 177 Ca 0.45 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 58.20 3d29 h LEU 177 Cb 1.16 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 41.24 3d29 h LEU 177 CO -0.16 0.03 -1.61 0.59 -0.13 0.00 0.00 178.44 177.17 3d29 n ASN 178 N -4.46 1.90 -0.23 1.25 3.02 0.11 -4.60 115.26 112.25 3d29 n ASN 178 Ca 0.04 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 3d29 n ASN 178 Cb 0.34 -0.88 0.22 0.00 -0.61 0.00 0.00 39.78 38.86 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 1.03 -6.88 3.52 4.39 -1.27 -3.44 114.58 110.93 3d29 h GLU 179 Ca -0.40 -0.07 -0.51 0.00 0.34 0.00 0.00 59.36 58.73 3d29 h GLU 179 Cb 1.28 -0.23 0.04 0.00 -0.10 0.00 0.00 28.75 29.75 3d29 h GLU 179 CO -0.24 0.69 0.53 -0.46 -1.16 0.00 0.00 179.01 178.37 3d29 s TRP 180 N -5.86 3.24 0.00 4.33 -0.00 -0.87 -5.06 118.94 114.72 3d29 s TRP 180 Ca -0.11 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 3d29 s TRP 180 Cb 0.18 -3.44 0.00 0.00 -0.00 0.00 0.00 33.47 30.21 3d29 s TRP 180 CO 0.79 -1.21 0.00 -2.39 -0.00 0.00 0.00 176.95 174.14 3d29 n HIS 18 N 0.68 0.00 0.00 5.86 1.44 -1.26 -4.99 115.22 116.95 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 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 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 -4.51 4.39 3.41 -1.26 -4.96 113.62 110.69 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 -0.14 0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.56 -4.89 1.04 4.77 -1.26 -5.00 117.00 113.22 3d29 n LEU 184 Ca 0.00 0.64 -0.20 0.00 -0.03 0.00 0.00 56.01 56.41 3d29 n LEU 184 Cb 0.00 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 3d29 n LEU 184 CO 0.00 -2.81 -0.03 0.42 -1.33 0.00 0.00 177.39 173.64 3d29 s THR 185 N -1.84 3.51 0.18 -5.08 -4.23 -1.26 -4.42 115.64 102.50 3d29 s THR 185 Ca 0.68 -1.27 -0.14 0.00 -1.18 0.00 0.00 61.69 59.78 3d29 s THR 185 Cb -0.36 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.34 3d29 s THR 185 CO 0.55 -0.14 1.80 0.25 -0.54 0.00 0.00 174.62 176.54 3d29 h LEU 186 N 1.12 0.41 -0.69 4.79 5.85 -1.92 -0.21 115.31 124.66 3d29 h LEU 186 Ca -0.44 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3d29 h LEU 186 Cb 1.26 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3d29 h LEU 186 CO 0.56 0.28 0.45 0.11 -0.34 0.00 0.00 178.44 179.51 3d29 h LYS 187 N 0.53 0.88 -0.73 1.25 1.79 -1.99 -0.20 116.57 118.09 3d29 h LYS 187 Ca 0.21 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3d29 h LYS 187 Cb 0.08 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.50 3d29 h LYS 187 CO -0.13 0.58 0.44 0.93 -1.08 0.00 0.00 179.45 180.19 3d29 h GLU 188 N 0.90 0.99 -0.38 3.15 5.08 -1.73 -2.01 114.58 120.58 3d29 h GLU 188 Ca 0.26 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 3d29 h GLU 188 Cb -0.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 3d29 h GLU 188 CO -0.07 0.71 -0.08 0.00 -1.00 0.00 0.00 179.01 178.56 3d29 h ALA 189 N 1.23 1.15 0.42 3.43 0.00 -0.49 -1.79 119.26 123.22 3d29 h ALA 189 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3d29 h ALA 189 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3d29 h ALA 189 CO -0.05 0.54 -0.20 0.93 0.00 0.00 0.00 179.25 180.47 3d29 h GLU 190 N 0.60 -0.54 -0.68 0.00 5.08 -0.37 -0.69 114.58 117.98 3d29 h GLU 190 Ca 0.11 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3d29 h GLU 190 Cb 0.50 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3d29 h GLU 190 CO 0.03 -0.34 0.36 -0.07 -1.00 0.00 0.00 179.01 177.99 3d29 h LEU 191 N -0.60 0.84 -0.39 1.33 -0.00 -1.34 -1.30 115.31 113.85 3d29 h LEU 191 Ca -0.06 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.74 3d29 h LEU 191 Cb 0.45 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 3d29 h LEU 191 CO 0.09 0.69 0.18 0.25 -0.00 0.00 0.00 178.44 179.66 3d29 h LEU 192 N 0.95 0.51 0.07 1.67 5.85 -1.12 0.31 115.31 123.55 3d29 h LEU 192 Ca 0.24 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3d29 h LEU 192 Cb 0.04 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3d29 h LEU 192 CO -0.04 0.50 -0.04 0.58 -0.34 0.00 0.00 178.44 179.11 3d29 h VAL 193 N 0.49 0.93 -0.90 1.05 2.07 -0.70 -0.81 116.25 118.39 3d29 h VAL 193 Ca 0.13 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.66 3d29 h VAL 193 Cb 0.13 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3d29 h VAL 193 CO -0.02 0.00 0.59 0.25 0.02 0.00 0.00 177.57 178.42 3d29 h LEU 194 N -0.11 1.01 0.02 2.57 5.85 -1.06 -0.93 115.31 122.67 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 0.08 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3d29 h LEU 194 CO 0.02 0.72 -0.01 0.50 -0.34 0.00 0.00 178.44 179.32 3d29 h LYS 195 N 1.18 -0.03 -0.86 1.25 3.64 -0.02 -1.50 116.57 120.22 3d29 h LYS 195 Ca 0.34 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3d29 h LYS 195 Cb -0.08 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3d29 h LYS 195 CO -0.09 0.29 0.47 0.82 -2.27 0.00 0.00 179.45 178.67 3d29 h ILE 196 N -0.35 1.25 -0.37 2.00 1.08 -0.95 -1.74 117.51 118.43 3d29 h ILE 196 Ca -0.00 -0.63 -0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3d29 h ILE 196 Cb 0.33 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 3d29 h ILE 196 CO 0.01 0.28 0.23 -0.07 -0.69 0.00 0.00 178.15 177.91 3d29 h LEU 197 N 1.20 0.44 -0.66 1.44 3.38 -1.15 -2.31 115.31 117.65 3d29 h LEU 197 Ca 0.30 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.32 3d29 h LEU 197 Cb 0.03 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3d29 h LEU 197 CO -0.05 0.35 0.30 0.50 0.09 0.00 0.00 178.44 179.63 3d29 h LYS 198 N 0.49 0.51 0.44 1.13 3.64 -0.75 0.33 116.57 122.35 3d29 h LYS 198 Ca 0.13 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3d29 h LYS 198 Cb -0.01 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3d29 h LYS 198 CO -0.03 0.34 -0.21 1.96 -2.27 0.00 0.00 179.45 179.24 3d29 h GLN 199 N 0.52 -0.56 0.00 1.90 4.20 -0.90 -3.27 115.11 116.99 3d29 h GLN 199 Ca 0.32 0.04 -0.05 0.00 0.06 0.00 0.00 58.65 59.03 3d29 h GLN 199 Cb 0.35 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3d29 h GLN 199 CO -0.27 -0.33 -0.22 -0.39 -0.67 0.00 0.00 178.83 176.94 3d29 h VAL 200 N -0.66 0.43 -3.18 -0.54 -1.51 -1.27 -3.45 116.25 106.06 3d29 h VAL 200 Ca -0.06 -1.39 -0.53 0.00 -1.23 0.00 0.00 66.70 63.49 3d29 h VAL 200 Cb 0.49 2.04 0.02 0.00 -2.13 0.00 0.00 31.29 31.70 3d29 h VAL 200 CO 0.10 0.22 0.65 -0.04 -1.23 0.00 0.00 177.57 177.27 3d29 s MET 201 N -3.28 4.38 0.33 5.19 -1.94 0.09 -4.80 119.30 119.26 3d29 s MET 201 Ca 0.04 1.97 0.02 0.00 -1.71 0.00 0.00 55.69 56.01 3d29 s MET 201 Cb 0.08 -3.26 0.57 0.00 2.01 0.00 0.00 34.83 34.22 3d29 s MET 201 CO 0.67 -0.32 1.90 0.93 -0.01 0.00 0.00 175.02 178.20 3d29 h GLU 202 N 6.35 0.69 -6.96 2.03 4.39 -1.89 -3.44 114.58 115.75 3d29 h GLU 202 Ca -0.43 -0.11 -0.49 0.00 0.34 0.00 0.00 59.36 58.67 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 0.82 0.60 0.15 -1.21 -1.16 0.00 0.00 179.01 178.21 3d29 s GLU 205 N -5.26 3.61 -0.47 2.33 0.41 -1.26 -5.00 118.70 113.06 3d29 s GLU 205 Ca -0.09 0.33 -0.28 0.00 -0.41 0.00 0.00 54.97 54.52 3d29 s GLU 205 Cb 0.16 -2.34 0.01 0.00 -1.78 0.00 0.00 34.13 30.18 3d29 s GLU 205 CO 0.77 -0.21 1.43 0.21 -0.49 0.00 0.00 175.26 176.97 3d29 s LYS 206 N -4.58 3.45 -0.16 1.61 2.20 -1.26 -4.92 119.74 116.08 3d29 s LYS 206 Ca 0.49 0.76 -0.36 0.00 -0.36 0.00 0.00 55.97 56.49 3d29 s LYS 206 Cb -0.10 -4.07 -0.13 0.00 -1.51 0.00 0.00 37.83 32.01 3d29 s LYS 206 CO 0.43 -1.73 1.83 -0.11 -0.36 0.00 0.00 175.35 175.41 3d29 n LEU 207 N 9.21 3.06 -4.33 5.43 0.00 -1.26 -4.94 117.00 124.17 3d29 n LEU 207 Ca 0.15 1.01 -0.19 0.00 0.00 0.00 0.00 56.01 56.98 3d29 n LEU 207 Cb 0.49 -1.28 -0.09 0.00 0.00 0.00 0.00 43.42 42.53 3d29 n LEU 207 CO 0.71 -0.19 -0.17 1.51 0.00 0.00 0.00 177.39 179.25 3d29 s ASP 208 N 3.89 1.64 0.00 1.96 -4.77 -1.26 -5.04 116.67 113.08 3d29 s ASP 208 Ca 0.95 -1.64 -0.03 0.00 -3.30 0.00 0.00 52.55 48.53 3d29 s ASP 208 Cb -0.83 0.47 -0.12 0.00 -1.09 0.00 0.00 42.92 41.35 3d29 s ASP 208 CO 0.57 -0.96 2.08 -1.84 0.70 0.00 0.00 175.17 175.72 3d29 n GLU 209 N -0.62 1.04 0.00 2.11 0.00 -1.26 -3.19 120.64 118.72 3d29 n GLU 209 Ca 0.03 -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 2.47 0.00 -3.76 -1.84 0.23 -1.26 -4.77 115.26 106.33 3d29 n ASN 20 Ca 0.20 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.11 3d29 n ASN 20 Cb 0.49 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.77 -0.03 -2.53 0.00 -1.19 -0.47 121.76 116.76 3d29 s ALA 210 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 3d29 s ALA 210 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3d29 s ALA 210 CO 0.00 -0.25 0.07 -1.14 0.00 0.00 0.00 175.76 174.45 3d29 s GLN 211 N -1.16 0.06 0.23 0.00 0.74 -0.89 -4.90 119.66 113.75 3d29 s GLN 211 Ca -0.12 0.15 0.10 0.00 0.05 0.00 0.00 55.36 55.53 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 0.04 -0.05 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.11 3d29 s LEU 212 N 0.35 2.91 0.18 3.68 1.43 -1.26 -1.92 118.68 124.05 3d29 s LEU 212 Ca -0.03 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.12 3d29 s LEU 212 Cb -0.04 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.72 3d29 s LEU 212 CO -0.01 0.06 0.86 -0.94 0.23 0.00 0.00 176.35 176.55 3d29 s SER 213 N -3.21 -0.25 0.26 2.29 1.04 -0.72 -1.06 113.70 112.05 3d29 s SER 213 Ca 0.27 -0.40 -0.19 0.00 0.48 0.00 0.00 55.95 56.12 3d29 s SER 213 Cb -0.07 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.62 3d29 s SER 213 CO 0.16 -1.01 0.64 0.00 0.98 0.00 0.00 173.24 174.01 3d29 s ILE 215 N -3.92 0.51 0.07 0.00 -1.16 -0.41 -1.10 121.20 115.19 3d29 s ILE 215 Ca 0.13 -0.03 0.06 0.00 -0.51 0.00 0.00 60.65 60.30 3d29 s ILE 215 Cb -0.04 -0.60 -0.03 0.00 0.61 0.00 0.00 42.46 42.40 3d29 s ILE 215 CO 0.05 0.26 -0.17 0.42 -2.81 0.00 0.00 174.94 172.69 3d29 s THR 216 N 1.47 1.35 0.47 4.00 -4.23 -0.87 -2.12 115.64 115.70 3d29 s THR 216 Ca -0.02 -1.31 0.16 0.00 -1.18 0.00 0.00 61.69 59.33 3d29 s THR 216 Cb -0.13 -1.24 0.33 0.00 1.34 0.00 0.00 72.50 72.79 3d29 s THR 216 CO -0.03 -0.09 2.02 0.50 -0.54 0.00 0.00 174.62 176.48 3d29 h LYS 217 N 4.39 0.25 0.00 3.99 3.64 -1.88 0.49 116.57 127.46 3d29 h LYS 217 Ca -0.42 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 3d29 h LYS 217 Cb 1.18 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3d29 h LYS 217 CO 0.41 0.17 -0.26 0.37 -2.27 0.00 0.00 179.45 177.87 3d29 h GLN 218 N 0.26 0.17 -0.16 1.90 4.15 -1.97 -3.38 115.11 116.08 3d29 h GLN 218 Ca 0.21 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3d29 h GLN 218 Cb 0.50 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3d29 h GLN 218 CO -0.04 0.93 0.00 -0.25 -1.93 0.00 0.00 178.83 177.54 3d29 n ASP 219 N -4.50 2.29 0.00 -0.69 9.92 -1.14 -5.10 116.55 117.34 3d29 n ASP 219 Ca -0.10 -1.76 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 3d29 n ASP 219 Cb 0.51 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 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 0.30 0.22 3.70 0.44 0.00 0.17 -4.71 105.19 105.31 3d29 n GLY 220 Ca 0.07 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.11 -2.05 117.98 123.17 3d29 s PHE 221 Ca 0.00 1.45 0.00 0.00 0.33 0.00 0.00 56.93 58.71 3d29 s PHE 221 Cb 0.00 -3.01 -0.00 0.00 -1.31 0.00 0.00 43.02 38.69 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 1.37 0.06 -0.30 10.12 -0.14 -0.26 -5.01 119.74 125.58 3d29 s LYS 222 Ca 0.44 -0.08 -0.09 0.00 -1.36 0.00 0.00 55.97 54.88 3d29 s LYS 222 Cb -0.19 -0.01 -0.01 0.00 -1.68 0.00 0.00 37.83 35.95 3d29 s LYS 222 CO 0.20 -0.00 0.14 0.42 -0.76 0.00 0.00 175.35 175.34 3d29 s ILE 223 N -0.18 4.51 0.25 2.17 1.01 -1.26 -1.55 121.20 126.15 3d29 s ILE 223 Ca -0.02 -0.42 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 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 0.10 1.50 -1.22 0.00 0.00 0.00 174.94 175.32 3d29 n TYR 224 N 4.96 2.44 -2.01 3.97 0.53 -0.22 -4.97 117.16 121.87 3d29 n TYR 224 Ca -0.14 0.34 -0.31 0.00 -1.02 0.00 0.00 57.90 56.77 3d29 n TYR 224 Cb 0.49 -2.52 -0.00 0.00 -1.03 0.00 0.00 39.34 36.28 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 0.44 6.28 0.29 7.72 -4.77 -1.26 -4.64 116.67 120.74 3d29 s ASP 225 Ca 0.68 1.49 0.04 0.00 -3.30 0.00 0.00 52.55 51.45 3d29 s ASP 225 Cb -0.59 -2.48 0.75 0.00 -1.09 0.00 0.00 42.92 39.51 3d29 s ASP 225 CO 0.48 -0.83 1.67 0.78 0.70 0.00 0.00 175.17 177.96 3d29 h ASN 226 N 0.04 0.16 -0.25 2.11 -0.26 -1.93 -0.65 115.58 114.79 3d29 h ASN 226 Ca -0.45 0.18 0.02 0.00 -0.56 0.00 0.00 56.30 55.49 3d29 h ASN 226 Cb 1.19 0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 38.63 3d29 h ASN 226 CO 0.61 -0.10 0.11 -0.33 -1.06 0.00 0.00 177.43 176.67 3d29 h GLU 227 N 0.28 0.24 -0.68 0.81 3.07 -1.93 0.24 114.58 116.61 3d29 h GLU 227 Ca 0.57 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.41 3d29 h GLU 227 Cb 1.15 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 3d29 h GLU 227 CO -0.60 0.16 0.40 -0.22 -1.40 0.00 0.00 179.01 177.34 3d29 h LYS 228 N 0.24 0.93 -0.30 2.33 3.64 -1.52 -2.91 116.57 119.00 3d29 h LYS 228 Ca 0.11 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 3d29 h LYS 228 Cb 0.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3d29 h LYS 228 CO -0.08 0.68 -0.45 1.15 -2.27 0.00 0.00 179.45 178.47 3d29 h THR 229 N 0.93 1.29 -0.96 1.00 2.02 -0.95 -2.98 112.91 113.25 3d29 h THR 229 Ca 0.24 -1.64 0.07 0.00 0.77 0.00 0.00 66.41 65.85 3d29 h THR 229 Cb -0.00 1.54 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 3d29 h THR 229 CO -0.04 0.53 0.61 0.00 0.37 0.00 0.00 175.52 176.99 3d29 h ALA 230 N 0.87 1.35 -0.14 6.16 0.00 -0.37 -0.32 119.26 126.81 3d29 h ALA 230 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 230 Cb 1.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3d29 h ALA 230 CO 0.10 0.36 -0.36 0.93 0.00 0.00 0.00 179.25 180.27 3d29 h GLU 231 N 1.09 0.30 0.00 0.00 5.08 -1.46 -1.42 114.58 118.18 3d29 h GLU 231 Ca 0.43 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.53 3d29 h GLU 231 Cb 0.22 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3d29 h GLU 231 CO -0.19 0.63 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.78 3d29 h LEU 232 N 0.26 0.00 0.02 1.33 3.38 -1.11 -1.23 115.31 117.96 3d29 h LEU 232 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3d29 h LEU 232 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3d29 h LEU 232 CO 0.06 0.60 -0.01 0.40 0.09 0.00 0.00 178.44 179.57 3d29 h ILE 233 N 0.00 1.32 -0.55 1.22 2.04 -0.65 -2.37 117.51 118.52 3d29 h ILE 233 Ca -0.01 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.83 3d29 h ILE 233 Cb 1.09 2.04 -0.05 0.00 -0.74 0.00 0.00 36.82 39.16 3d29 h ILE 233 CO 0.08 0.27 0.26 0.50 0.00 0.00 0.00 178.15 179.27 3d29 h LYS 235 N -0.50 0.49 -0.16 2.37 3.64 -1.21 0.11 116.57 121.30 3d29 h LYS 235 Ca -0.00 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3d29 h LYS 235 Cb 0.47 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3d29 h LYS 235 CO 0.01 0.32 0.13 1.49 -2.27 0.00 0.00 179.45 179.13 3d29 h GLU 236 N 0.50 0.00 0.09 1.90 4.81 -1.19 -2.46 114.58 118.24 3d29 h GLU 236 Ca 0.25 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3d29 h GLU 236 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3d29 h GLU 236 CO -0.19 0.00 -0.04 1.25 -0.73 0.00 0.00 179.01 179.30 3d29 h LEU 237 N 0.00 -0.10 -1.30 1.64 6.46 -0.46 -2.95 115.31 118.60 3d29 h LEU 237 Ca 0.08 -0.47 0.24 0.00 -0.12 0.00 0.00 57.88 57.61 3d29 h LEU 237 Cb 0.33 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.20 3d29 h LEU 237 CO -0.00 0.55 0.64 0.50 -0.62 0.00 0.00 178.44 179.51 3d29 h LYS 238 N -0.90 0.46 0.06 1.25 3.64 -1.03 0.40 116.57 120.45 3d29 h LYS 238 Ca -0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3d29 h LYS 238 Cb 0.56 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3d29 h LYS 238 CO 0.02 0.30 -0.03 0.93 -2.27 0.00 0.00 179.45 178.40 3d29 h GLU 239 N 0.47 -0.08 -0.04 1.90 5.08 -1.52 -1.52 114.58 118.87 3d29 h GLU 239 Ca 0.58 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.91 3d29 h GLU 239 Cb 1.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3d29 h GLU 239 CO -0.31 0.41 -0.13 0.87 -1.00 0.00 0.00 179.01 178.85 3d29 h LYS 240 N -0.61 0.07 0.08 2.33 1.57 -1.15 -1.37 116.57 117.48 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 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3d29 h LYS 240 CO 0.01 0.20 -0.04 0.93 -0.57 0.00 0.00 179.45 179.99 3d29 h GLU 241 N 0.06 -0.10 0.00 3.15 5.08 -0.93 -2.87 114.58 118.97 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 0.28 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3d29 h GLU 241 CO 0.02 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 3d29 n ALA 242 N -2.42 1.44 0.63 3.43 0.00 -0.57 -2.08 120.51 120.94 3d29 n ALA 242 Ca -0.08 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.42 3d29 n ALA 242 Cb 0.26 -1.14 0.42 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.44 1.88 0.00 0.00 0.00 -0.54 -5.07 120.51 115.34 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 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3d29 n ALA 243 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89