#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t32 s ILE 17 N 0.00 5.37 -0.92 1.39 1.01 -0.07 -3.97 121.20 124.01 1t32 s ILE 17 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1t32 s ILE 17 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1t32 s ILE 17 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1t32 n GLY 18 N 3.35 0.85 0.00 6.18 0.00 -1.24 -2.04 105.19 112.30 1t32 n GLY 18 Ca -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1t32 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t32 n GLY 19 N -1.70 2.87 3.30 -0.02 0.00 -1.26 -4.84 105.19 103.53 1t32 n GLY 19 Ca -0.09 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 1t32 n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t32 s ARG 20 N 1.07 1.19 0.26 1.61 1.70 -0.01 -4.92 118.95 119.84 1t32 s ARG 20 Ca 0.00 -1.41 -0.29 0.00 -0.47 0.00 0.00 55.73 53.55 1t32 s ARG 20 Cb 0.00 -1.06 -0.09 0.00 -0.57 0.00 0.00 34.95 33.23 1t32 s ARG 20 CO 0.00 0.19 1.25 -2.00 -1.08 0.00 0.00 175.30 173.66 1t32 s GLU 21 N -3.10 4.44 0.48 3.89 2.12 -1.26 -0.75 118.70 124.52 1t32 s GLU 21 Ca 0.16 2.04 -0.20 0.00 0.36 0.00 0.00 54.97 57.32 1t32 s GLU 21 Cb -0.03 -3.15 -0.09 0.00 0.26 0.00 0.00 34.13 31.12 1t32 s GLU 21 CO 0.05 -0.11 1.02 -1.12 -0.54 0.00 0.00 175.26 174.57 1t32 s SER 22 N -0.25 6.43 0.15 -1.70 0.01 0.10 -4.82 113.70 113.62 1t32 s SER 22 Ca 0.51 1.89 -0.31 0.00 1.31 0.00 0.00 55.95 59.34 1t32 s SER 22 Cb -0.36 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.22 1t32 s SER 22 CO 0.44 -0.72 1.49 -0.60 0.41 0.00 0.00 173.24 174.26 1t32 s ARG 23 N -3.24 4.26 0.09 12.44 3.52 -1.26 -4.86 118.95 129.91 1t32 s ARG 23 Ca 0.66 2.24 -0.36 0.00 -0.13 0.00 0.00 55.73 58.14 1t32 s ARG 23 Cb -0.15 -3.19 -0.16 0.00 -1.56 0.00 0.00 34.95 29.89 1t32 s ARG 23 CO 0.19 -0.52 1.38 -2.30 -0.81 0.00 0.00 175.30 173.23 1t32 n PRO 24 N 3.79 1.27 -1.62 5.12 -0.02 -1.26 -1.75 135.00 140.53 1t32 n PRO 24 Ca 0.12 0.46 -0.18 0.00 -2.02 0.00 0.00 63.50 61.88 1t32 n PRO 24 Cb 0.40 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 1t32 n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1t32 n HIS 25 N 2.67 -0.10 0.96 6.00 8.25 -1.26 -4.86 115.22 126.88 1t32 n HIS 25 Ca 0.18 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.78 1t32 n HIS 25 Cb 0.20 -3.17 0.54 0.00 1.12 0.00 0.00 29.99 28.69 1t32 n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1t32 n SER 26 N -1.01 0.15 -3.28 0.41 3.41 -0.72 -3.97 113.62 108.61 1t32 n SER 26 Ca -0.19 0.40 -0.25 0.00 -0.26 0.00 0.00 58.87 58.57 1t32 n SER 26 Cb 0.61 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 1t32 n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1t32 n ARG 27 N -1.57 1.29 0.00 4.33 1.74 -1.26 -4.98 116.66 116.21 1t32 n ARG 27 Ca 0.07 -3.70 0.00 0.00 -0.77 0.00 0.00 57.85 53.45 1t32 n ARG 27 Cb 0.35 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1t32 n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1t32 n PRO 28 N 1.27 0.00 0.01 5.56 -0.04 -1.25 -1.51 135.00 139.04 1t32 n PRO 28 Ca 0.24 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1t32 n PRO 28 Cb 0.49 -1.54 0.19 0.00 -0.04 0.00 0.00 33.50 32.59 1t32 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1t32 n TYR 29 N -1.32 0.07 -1.87 0.54 0.18 -1.16 -2.42 117.16 111.19 1t32 n TYR 29 Ca 0.00 0.02 -0.41 0.00 1.88 0.00 0.00 57.90 59.39 1t32 n TYR 29 Cb 0.04 -0.28 -0.02 0.00 -0.38 0.00 0.00 39.34 38.71 1t32 n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1t32 s MET 30 N -3.03 4.18 -0.02 -3.48 -1.94 -0.57 -0.38 119.30 114.05 1t32 s MET 30 Ca 0.10 2.47 0.06 0.00 -1.71 0.00 0.00 55.69 56.60 1t32 s MET 30 Cb 0.17 -3.06 -0.01 0.00 2.01 0.00 0.00 34.83 33.93 1t32 s MET 30 CO 0.73 -0.56 -0.19 0.00 -0.01 0.00 0.00 175.02 174.99 1t32 s ALA 31 N 0.09 1.63 -0.20 3.03 0.00 -0.17 -4.23 121.76 121.91 1t32 s ALA 31 Ca 0.63 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 1t32 s ALA 31 Cb -0.46 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1t32 s ALA 31 CO 0.45 0.37 0.02 -0.47 0.00 0.00 0.00 175.76 176.12 1t32 s TYR 32 N -0.31 3.08 -0.09 0.00 5.04 -0.61 -1.59 117.35 122.86 1t32 s TYR 32 Ca 0.04 -0.35 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1t32 s TYR 32 Cb -0.09 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.10 1t32 s TYR 32 CO 0.00 -0.17 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.46 1t32 s LEU 33 N 0.93 3.15 -0.26 6.97 1.43 0.36 -1.39 118.68 129.87 1t32 s LEU 33 Ca 0.02 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1t32 s LEU 33 Cb -0.14 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.43 1t32 s LEU 33 CO 0.02 0.31 -0.11 -1.10 0.23 0.00 0.00 176.35 175.70 1t32 s GLN 34 N -0.48 2.24 -0.18 1.70 -0.21 -0.75 -1.75 119.66 120.23 1t32 s GLN 34 Ca 0.07 -1.33 -0.14 0.00 0.02 0.00 0.00 55.36 53.98 1t32 s GLN 34 Cb -0.12 -2.88 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1t32 s GLN 34 CO 0.02 -0.56 0.30 0.42 -2.12 0.00 0.00 175.29 173.35 1t32 s ILE 35 N 1.11 5.29 -0.03 1.08 1.09 -0.12 -1.66 121.20 127.97 1t32 s ILE 35 Ca -0.09 0.54 -0.02 0.00 -1.10 0.00 0.00 60.65 59.98 1t32 s ILE 35 Cb -0.20 -3.64 0.01 0.00 -1.06 0.00 0.00 42.46 37.57 1t32 s ILE 35 CO -0.05 0.35 0.03 0.00 -0.10 0.00 0.00 174.94 175.17 1t32 n GLN 36 N 3.89 -0.66 0.00 2.79 1.13 0.25 -3.28 117.38 121.50 1t32 n GLN 36 Ca -0.11 0.92 0.00 0.00 -1.94 0.00 0.00 57.00 55.87 1t32 n GLN 36 Cb 0.52 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1t32 n GLN 36 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1t32 n SER 36 N 0.23 0.00 -3.27 1.08 2.88 -1.25 -4.47 113.62 108.81 1t32 n SER 36 Ca -0.06 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.03 1t32 n SER 36 Cb 0.09 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 1t32 n SER 36 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1t32 n PRO 36 N -2.54 0.00 -1.60 -1.46 -0.02 -1.26 -4.71 135.00 123.41 1t32 n PRO 36 Ca 0.00 0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 60.98 1t32 n PRO 36 Cb 0.00 -1.15 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 1t32 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t32 n ALA 37 N 5.84 0.84 -0.85 3.55 0.00 -1.26 -0.67 120.51 127.95 1t32 n ALA 37 Ca 0.43 0.13 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1t32 n ALA 37 Cb -0.03 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1t32 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t32 n GLY 38 N 5.25 0.83 0.09 0.00 0.00 -1.26 -4.97 105.19 105.12 1t32 n GLY 38 Ca 0.31 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 1t32 n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1t32 h GLN 39 N 0.00 0.00 -1.18 1.61 -0.00 -1.13 -3.48 115.11 110.93 1t32 h GLN 39 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.65 58.83 1t32 h GLN 39 Cb 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 27.48 27.43 1t32 h GLN 39 CO 0.00 0.50 0.68 0.45 0.00 0.00 0.00 178.83 180.46 1t32 s SER 40 N -6.11 -0.17 -0.04 -0.69 0.15 -1.21 -4.99 113.70 100.65 1t32 s SER 40 Ca -0.03 0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.96 1t32 s SER 40 Cb 0.08 0.96 -0.01 0.00 -1.71 0.00 0.00 66.02 65.34 1t32 s SER 40 CO 0.82 -0.04 -0.25 -0.60 1.20 0.00 0.00 173.24 174.36 1t32 s ARG 41 N 0.97 2.37 0.17 5.44 3.52 -1.26 -0.94 118.95 129.22 1t32 s ARG 41 Ca -0.06 -0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 54.56 1t32 s ARG 41 Cb -0.03 -2.10 -0.01 0.00 -1.56 0.00 0.00 34.95 31.25 1t32 s ARG 41 CO -0.11 0.44 0.27 0.00 -0.81 0.00 0.00 175.30 175.08 1t32 s GLY 43 N -3.00 2.17 -0.06 0.00 0.00 0.18 -0.49 107.32 106.12 1t32 s GLY 43 Ca 0.21 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 43.04 1t32 s GLY 43 CO 0.02 -1.84 1.34 -0.32 0.00 0.00 0.00 173.10 172.31 1t32 s GLY 44 N -4.37 -0.21 -0.14 0.20 0.00 -0.62 -3.74 107.32 98.45 1t32 s GLY 44 Ca 0.43 0.19 -0.13 0.00 0.00 0.00 0.00 44.72 45.22 1t32 s GLY 44 CO 0.27 5.68 0.37 -0.11 0.00 0.00 0.00 173.10 179.31 1t32 s PHE 45 N -2.03 -0.41 0.06 1.90 -0.71 -0.17 -1.00 117.98 115.62 1t32 s PHE 45 Ca 0.29 0.99 -0.31 0.00 -1.04 0.00 0.00 56.93 56.87 1t32 s PHE 45 Cb 0.01 0.14 -0.07 0.00 -1.21 0.00 0.00 43.02 41.89 1t32 s PHE 45 CO -0.02 -0.20 1.41 -1.17 -1.34 0.00 0.00 175.22 173.89 1t32 s LEU 46 N 0.18 4.35 -0.01 -1.99 2.96 0.48 -0.12 118.68 124.54 1t32 s LEU 46 Ca -0.00 2.23 0.09 0.00 -0.22 0.00 0.00 54.13 56.23 1t32 s LEU 46 Cb -0.03 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.97 1t32 s LEU 46 CO 0.01 -0.69 0.27 1.33 -1.32 0.00 0.00 176.35 175.94 1t32 n VAL 47 N 4.31 0.00 -3.53 1.68 0.24 -0.43 -1.75 118.33 118.85 1t32 n VAL 47 Ca 0.12 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 1t32 n VAL 47 Cb 0.43 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 1t32 n VAL 47 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1t32 s ARG 48 N -2.25 1.38 0.33 7.34 3.52 -1.14 -4.72 118.95 123.42 1t32 s ARG 48 Ca -0.00 -0.59 0.21 0.00 -0.13 0.00 0.00 55.73 55.22 1t32 s ARG 48 Cb 0.06 0.58 1.13 0.00 -1.56 0.00 0.00 34.95 35.16 1t32 s ARG 48 CO 0.36 -0.61 1.62 0.39 -0.81 0.00 0.00 175.30 176.24 1t32 n GLU 49 N -0.39 0.13 0.00 5.12 4.71 -1.26 -2.03 120.64 126.92 1t32 n GLU 49 Ca -0.13 0.63 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 1t32 n GLU 49 Cb 0.63 -2.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 1t32 n GLU 49 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1t32 n ASP 50 N -2.25 1.15 -3.98 1.62 5.75 -1.26 -1.60 116.55 115.98 1t32 n ASP 50 Ca -0.01 -1.16 -0.17 0.00 -0.01 0.00 0.00 54.79 53.44 1t32 n ASP 50 Cb 0.09 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.03 1t32 n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1t32 s PHE 51 N -0.16 0.60 -0.07 2.11 0.08 -0.86 -0.56 117.98 119.13 1t32 s PHE 51 Ca 0.00 -0.12 0.04 0.00 0.12 0.00 0.00 56.93 56.98 1t32 s PHE 51 Cb 0.00 -0.39 -0.00 0.00 -0.57 0.00 0.00 43.02 42.06 1t32 s PHE 51 CO 0.00 -0.01 -0.21 0.08 -0.10 0.00 0.00 175.22 174.98 1t32 s VAL 52 N -0.14 1.78 -0.04 -0.44 1.01 -0.47 -1.31 120.40 120.78 1t32 s VAL 52 Ca 0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1t32 s VAL 52 Cb -0.03 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1t32 s VAL 52 CO -0.00 0.50 0.25 -0.22 0.00 0.00 0.00 175.10 175.63 1t32 s LEU 53 N 0.17 4.40 0.00 3.92 2.96 0.84 -0.65 118.68 130.31 1t32 s LEU 53 Ca -0.10 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1t32 s LEU 53 Cb -0.15 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.11 1t32 s LEU 53 CO 0.05 0.33 0.00 1.07 -1.32 0.00 0.00 176.35 176.48 1t32 n THR 54 N 1.59 0.00 -3.65 3.68 5.66 -0.43 -1.00 114.28 120.13 1t32 n THR 54 Ca -0.15 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.48 1t32 n THR 54 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 1t32 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t32 s ALA 55 N -1.02 3.77 0.35 1.79 0.00 -1.26 -1.06 121.76 124.33 1t32 s ALA 55 Ca 0.00 -0.40 0.23 0.00 0.00 0.00 0.00 51.96 51.79 1t32 s ALA 55 Cb 0.00 -2.21 1.15 0.00 0.00 0.00 0.00 23.12 22.06 1t32 s ALA 55 CO 0.00 0.55 1.96 0.00 0.00 0.00 0.00 175.76 178.27 1t32 h ALA 56 N 4.61 1.28 0.00 0.00 0.00 -1.72 -2.04 119.26 121.39 1t32 h ALA 56 Ca -0.52 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1t32 h ALA 56 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t32 h ALA 56 CO 0.61 0.26 0.00 -2.39 0.00 0.00 0.00 179.25 177.73 1t32 n HIS 57 N -3.74 0.00 1.07 0.00 1.44 -1.26 -1.78 115.22 110.95 1t32 n HIS 57 Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1t32 n HIS 57 Cb 0.31 -0.23 0.33 0.00 0.12 0.00 0.00 29.99 30.53 1t32 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1t32 n TRP 59 N 0.72 1.50 -3.51 0.00 -0.00 -0.73 -4.88 117.44 110.53 1t32 n TRP 59 Ca 0.17 0.51 -0.11 0.00 -0.00 0.00 0.00 57.50 58.07 1t32 n TRP 59 Cb 0.44 -2.27 -0.02 0.00 -0.00 0.00 0.00 31.31 29.46 1t32 n TRP 59 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 1t32 s GLY 60 N -0.78 -0.49 0.38 5.87 0.00 -1.26 -5.00 107.32 106.04 1t32 s GLY 60 Ca 0.65 0.30 0.27 0.00 0.00 0.00 0.00 44.72 45.94 1t32 s GLY 60 CO 0.55 0.06 1.77 1.48 0.00 0.00 0.00 173.10 176.95 1t32 h SER 61 N 2.05 0.00 -3.19 1.64 4.64 -1.98 -3.42 113.55 113.30 1t32 h SER 61 Ca -0.32 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.55 1t32 h SER 61 Cb 1.29 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.99 1t32 h SER 61 CO 0.37 0.00 -0.75 0.21 -0.87 0.00 0.00 176.83 175.79 1t32 s ASN 63 N -5.31 2.12 -0.13 4.97 3.04 -1.26 -5.02 114.94 113.35 1t32 s ASN 63 Ca 0.06 -0.44 0.00 0.00 0.04 0.00 0.00 52.86 52.52 1t32 s ASN 63 Cb 0.09 -0.35 0.02 0.00 -1.54 0.00 0.00 41.25 39.47 1t32 s ASN 63 CO 0.57 -0.29 -0.12 -0.63 -3.04 0.00 0.00 177.10 173.59 1t32 s ILE 64 N 2.04 1.35 -0.23 -5.21 1.01 -1.26 0.88 121.20 119.77 1t32 s ILE 64 Ca 0.02 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1t32 s ILE 64 Cb -0.15 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 1t32 s ILE 64 CO -0.07 0.42 0.14 0.21 0.00 0.00 0.00 174.94 175.64 1t32 s ASN 65 N 1.51 5.92 -0.11 3.58 2.47 -0.66 -0.52 114.94 127.13 1t32 s ASN 65 Ca 0.04 0.06 -0.02 0.00 0.42 0.00 0.00 52.86 53.36 1t32 s ASN 65 Cb -0.13 -2.06 -0.03 0.00 -1.45 0.00 0.00 41.25 37.58 1t32 s ASN 65 CO -0.09 0.07 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.65 1t32 s VAL 66 N 1.05 4.08 -0.18 -5.21 1.01 0.19 -1.80 120.40 119.53 1t32 s VAL 66 Ca 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1t32 s VAL 66 Cb -0.14 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1t32 s VAL 66 CO 0.04 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 174.62 1t32 s THR 67 N -0.41 2.00 0.31 3.92 2.01 -0.48 -1.05 115.64 121.94 1t32 s THR 67 Ca 0.07 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.25 1t32 s THR 67 Cb -0.12 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1t32 s THR 67 CO 0.02 0.53 0.14 -0.76 -0.69 0.00 0.00 174.62 173.86 1t32 s LEU 68 N 1.31 3.35 -1.35 4.42 2.01 -0.32 -1.58 118.68 126.52 1t32 s LEU 68 Ca 0.05 -0.65 0.00 0.00 0.01 0.00 0.00 54.13 53.53 1t32 s LEU 68 Cb -0.13 -1.86 0.00 0.00 0.01 0.00 0.00 46.19 44.21 1t32 s LEU 68 CO -0.13 -0.21 0.00 0.61 1.01 0.00 0.00 176.35 177.63 1t32 n GLY 69 N -1.13 0.92 3.91 -3.19 0.00 -1.25 -1.63 105.19 102.83 1t32 n GLY 69 Ca -0.04 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1t32 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t32 s ALA 70 N -2.56 3.79 0.11 4.61 0.00 -1.26 -3.74 121.76 122.71 1t32 s ALA 70 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1t32 s ALA 70 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1t32 s ALA 70 CO 0.00 0.25 0.00 1.58 0.00 0.00 0.00 175.76 177.59 1t32 n HIS 71 N -1.30 -0.40 -3.47 0.00 -0.00 -1.26 -4.72 115.22 104.08 1t32 n HIS 71 Ca -0.09 0.07 -0.43 0.00 0.46 0.00 0.00 57.72 57.74 1t32 n HIS 71 Cb 0.57 0.11 -0.09 0.00 -0.12 0.00 0.00 29.99 30.46 1t32 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1t32 s ASN 72 N -5.62 6.02 0.00 0.26 3.84 -1.26 -1.89 114.94 116.29 1t32 s ASN 72 Ca 0.00 -1.14 0.20 0.00 0.21 0.00 0.00 52.86 52.12 1t32 s ASN 72 Cb 0.00 -2.13 1.18 0.00 -0.55 0.00 0.00 41.25 39.75 1t32 s ASN 72 CO 0.00 -0.53 1.69 2.30 -2.79 0.00 0.00 177.10 177.78 1t32 n ILE 73 N 5.13 0.00 -0.49 -5.21 -6.64 -0.46 -2.76 119.36 108.93 1t32 n ILE 73 Ca -0.12 0.00 0.08 0.00 -1.77 0.00 0.00 62.75 60.95 1t32 n ILE 73 Cb 0.45 -0.40 0.26 0.00 -1.44 0.00 0.00 39.64 38.52 1t32 n ILE 73 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1t32 n GLN 74 N -0.85 3.15 -4.37 6.28 1.13 -1.26 -4.92 117.38 116.54 1t32 n GLN 74 Ca 0.15 -2.55 -0.19 0.00 -1.94 0.00 0.00 57.00 52.47 1t32 n GLN 74 Cb 0.07 -1.61 -0.14 0.00 0.11 0.00 0.00 30.24 28.66 1t32 n GLN 74 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1t32 s ARG 75 N -1.57 0.77 -1.27 -1.09 1.81 -1.11 -5.06 118.95 111.43 1t32 s ARG 75 Ca 0.39 -0.42 -0.16 0.00 -1.72 0.00 0.00 55.73 53.82 1t32 s ARG 75 Cb 0.25 -0.74 0.11 0.00 -0.45 0.00 0.00 34.95 34.12 1t32 s ARG 75 CO 0.20 0.20 1.63 0.54 -0.68 0.00 0.00 175.30 177.19 1t32 n ARG 76 N 2.62 3.27 -2.04 3.54 1.74 -1.26 -4.91 116.66 119.62 1t32 n ARG 76 Ca -0.15 -3.50 -0.34 0.00 -0.77 0.00 0.00 57.85 53.09 1t32 n ARG 76 Cb 0.56 -3.29 0.02 0.00 -1.02 0.00 0.00 32.46 28.73 1t32 n ARG 76 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1t32 s GLU 77 N 3.03 3.10 0.49 5.56 2.02 -1.26 -4.94 118.70 126.69 1t32 s GLU 77 Ca 0.49 1.56 0.22 0.00 0.02 0.00 0.00 54.97 57.26 1t32 s GLU 77 Cb 0.02 -1.97 1.28 0.00 0.10 0.00 0.00 34.13 33.55 1t32 s GLU 77 CO 0.04 -1.05 2.04 -2.95 0.02 0.00 0.00 175.26 173.37 1t32 h ASN 78 N 0.73 0.00 1.30 -0.19 -1.07 -1.95 -2.56 115.58 111.83 1t32 h ASN 78 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1t32 h ASN 78 Cb 1.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.51 1t32 h ASN 78 CO 0.56 0.15 -0.04 0.35 0.07 0.00 0.00 177.43 178.51 1t32 n THR 79 N -3.90 0.41 -2.46 6.14 -2.24 -1.26 -4.91 114.28 106.05 1t32 n THR 79 Ca -0.02 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1t32 n THR 79 Cb 0.24 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 1t32 n THR 79 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1t32 s GLN 80 N -3.08 3.74 -0.08 -0.78 -0.21 -0.97 -4.43 119.66 113.86 1t32 s GLN 80 Ca 0.11 1.31 0.00 0.00 0.02 0.00 0.00 55.36 56.80 1t32 s GLN 80 Cb 0.14 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 32.09 1t32 s GLN 80 CO 0.59 -0.47 -0.05 -0.65 -2.12 0.00 0.00 175.29 172.58 1t32 s GLN 81 N -3.41 1.13 -0.24 2.91 -0.21 -0.65 -4.98 119.66 114.22 1t32 s GLN 81 Ca 0.66 -0.14 -0.07 0.00 0.02 0.00 0.00 55.36 55.83 1t32 s GLN 81 Cb -0.16 -1.21 -0.03 0.00 1.00 0.00 0.00 33.01 32.61 1t32 s GLN 81 CO 0.23 -0.19 0.06 -1.01 -2.12 0.00 0.00 175.29 172.26 1t32 s HIS 82 N 1.43 3.08 0.00 0.91 3.76 -1.26 -1.18 115.29 122.04 1t32 s HIS 82 Ca -0.02 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1t32 s HIS 82 Cb -0.13 -2.22 -0.00 0.00 1.11 0.00 0.00 32.58 31.33 1t32 s HIS 82 CO -0.04 -0.35 -0.01 0.42 -0.85 0.00 0.00 174.74 173.91 1t32 s ILE 83 N 1.56 0.03 0.23 0.60 1.01 -0.22 -5.00 121.20 119.41 1t32 s ILE 83 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 1t32 s ILE 83 Cb -0.15 -0.07 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 1t32 s ILE 83 CO 0.03 -0.12 0.46 0.42 0.00 0.00 0.00 174.94 175.73 1t32 s THR 84 N -0.36 5.11 -0.28 2.92 -4.23 -1.26 0.52 115.64 118.06 1t32 s THR 84 Ca -0.04 -0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.07 1t32 s THR 84 Cb -0.02 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1t32 s THR 84 CO -0.00 -0.20 1.23 0.00 -0.54 0.00 0.00 174.62 175.11 1t32 s ALA 85 N -1.93 3.45 0.19 3.99 0.00 0.32 -0.49 121.76 127.29 1t32 s ALA 85 Ca 0.41 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 1t32 s ALA 85 Cb -0.11 -3.72 0.10 0.00 0.00 0.00 0.00 23.12 19.39 1t32 s ALA 85 CO 0.28 -1.60 1.49 -0.09 0.00 0.00 0.00 175.76 175.84 1t32 h ARG 86 N 8.80 0.49 -3.30 0.00 2.43 -0.46 -3.44 114.38 118.91 1t32 h ARG 86 Ca -0.25 -0.34 -0.22 0.00 -0.81 0.00 0.00 59.98 58.37 1t32 h ARG 86 Cb 1.09 0.05 -0.29 0.00 -0.42 0.00 0.00 29.97 30.40 1t32 h ARG 86 CO 1.02 0.95 -0.57 1.03 -1.51 0.00 0.00 179.97 180.90 1t32 s ARG 87 N -3.86 0.14 -0.49 0.20 0.52 -1.03 -4.99 118.95 109.44 1t32 s ARG 87 Ca -0.07 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 1t32 s ARG 87 Cb 0.11 -0.05 0.13 0.00 0.52 0.00 0.00 34.95 35.65 1t32 s ARG 87 CO 0.84 -0.10 0.26 0.00 0.02 0.00 0.00 175.30 176.32 1t32 s ALA 88 N 0.67 3.27 -0.60 2.13 0.00 -1.26 -0.89 121.76 125.07 1t32 s ALA 88 Ca -0.05 -2.92 -0.20 0.00 0.00 0.00 0.00 51.96 48.79 1t32 s ALA 88 Cb -0.07 -2.34 0.09 0.00 0.00 0.00 0.00 23.12 20.80 1t32 s ALA 88 CO -0.03 -1.92 0.78 0.42 0.00 0.00 0.00 175.76 175.01 1t32 s ILE 89 N 0.41 4.66 0.44 0.00 1.01 0.17 -4.96 121.20 122.93 1t32 s ILE 89 Ca 0.13 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 1t32 s ILE 89 Cb -0.22 -4.53 -0.09 0.00 0.01 0.00 0.00 42.46 37.63 1t32 s ILE 89 CO -0.04 -1.20 1.06 -0.13 0.00 0.00 0.00 174.94 174.64 1t32 s ARG 90 N 3.14 3.97 0.32 2.79 0.52 -1.26 -1.44 118.95 126.99 1t32 s ARG 90 Ca 0.16 1.49 -0.29 0.00 -0.52 0.00 0.00 55.73 56.56 1t32 s ARG 90 Cb -0.21 -2.35 -0.11 0.00 0.52 0.00 0.00 34.95 32.79 1t32 s ARG 90 CO 0.08 -0.30 1.58 -1.58 0.02 0.00 0.00 175.30 175.10 1t32 s HIS 91 N -1.76 2.68 0.54 -0.53 5.65 -0.70 -4.86 115.29 116.31 1t32 s HIS 91 Ca 0.62 0.85 0.29 0.00 0.25 0.00 0.00 55.06 57.07 1t32 s HIS 91 Cb -0.21 -4.08 1.45 0.00 -1.18 0.00 0.00 32.58 28.56 1t32 s HIS 91 CO 0.25 -3.55 1.93 -1.00 -0.65 0.00 0.00 174.74 171.73 1t32 h PRO 92 N 4.40 0.00 -0.48 2.88 0.13 -1.93 -1.12 132.00 135.89 1t32 h PRO 92 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 1t32 h PRO 92 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1t32 h PRO 92 CO 0.76 0.00 0.08 1.04 -0.23 0.00 0.00 178.00 179.65 1t32 n GLN 93 N -4.28 3.41 -1.95 0.86 3.00 -1.26 -4.99 117.38 112.18 1t32 n GLN 93 Ca 0.14 -3.03 -0.42 0.00 -0.01 0.00 0.00 57.00 53.69 1t32 n GLN 93 Cb 0.80 -2.04 -0.03 0.00 0.00 0.00 0.00 30.24 28.98 1t32 n GLN 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1t32 s TYR 94 N -2.93 2.89 -0.32 1.08 5.04 -0.43 -4.64 117.35 118.05 1t32 s TYR 94 Ca 0.49 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.70 1t32 s TYR 94 Cb 0.40 -3.92 0.08 0.00 0.35 0.00 0.00 41.96 38.87 1t32 s TYR 94 CO 0.11 -3.49 0.01 1.21 -1.34 0.00 0.00 175.55 172.05 1t32 s ASN 95 N 1.50 4.72 0.53 4.32 3.84 -0.76 -4.98 114.94 124.11 1t32 s ASN 95 Ca 0.71 -1.82 0.30 0.00 0.21 0.00 0.00 52.86 52.26 1t32 s ASN 95 Cb -0.42 -1.63 1.46 0.00 -0.55 0.00 0.00 41.25 40.11 1t32 s ASN 95 CO 0.31 -0.32 2.05 0.06 -2.79 0.00 0.00 177.10 176.41 1t32 h GLN 96 N 7.74 0.00 -0.08 0.43 3.07 -1.93 0.81 115.11 125.15 1t32 h GLN 96 Ca -0.11 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.51 1t32 h GLN 96 Cb 1.03 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.60 1t32 h GLN 96 CO 0.52 0.10 -0.42 -0.09 0.09 0.00 0.00 178.83 179.03 1t32 h ARG 97 N 0.00 0.42 0.00 0.06 2.43 -1.97 -3.30 114.38 112.02 1t32 h ARG 97 Ca -0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1t32 h ARG 97 Cb 0.41 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1t32 h ARG 97 CO 0.01 0.99 -0.94 0.25 -1.51 0.00 0.00 179.97 178.77 1t32 n THR 98 N -4.33 0.02 -2.41 0.20 -2.24 -1.14 -4.97 114.28 99.41 1t32 n THR 98 Ca -0.08 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.48 1t32 n THR 98 Cb 0.56 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1t32 n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1t32 n ILE 99 N -1.58 -0.94 -3.17 2.28 5.41 0.28 -4.78 119.36 116.85 1t32 n ILE 99 Ca 0.04 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.46 1t32 n ILE 99 Cb 0.35 -2.63 -0.06 0.00 -0.71 0.00 0.00 39.64 36.60 1t32 n ILE 99 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1t32 s GLN 100 N -4.95 3.96 -1.36 0.38 -1.52 -1.05 -4.10 119.66 111.02 1t32 s GLN 100 Ca 0.04 0.60 -0.05 0.00 -1.95 0.00 0.00 55.36 53.99 1t32 s GLN 100 Cb -0.02 -2.46 0.03 0.00 -0.22 0.00 0.00 33.01 30.34 1t32 s GLN 100 CO 0.04 0.18 0.92 0.09 -0.25 0.00 0.00 175.29 176.27 1t32 n ASN 101 N -0.37 -3.25 -4.50 5.90 3.02 -1.26 -1.83 115.26 112.98 1t32 n ASN 101 Ca 0.03 -0.72 -0.41 0.00 -0.03 0.00 0.00 54.58 53.44 1t32 n ASN 101 Cb 0.53 -4.37 -0.01 0.00 -0.61 0.00 0.00 39.78 35.33 1t32 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1t32 n ASP 102 N -3.00 4.64 -3.71 6.41 2.03 -1.26 -4.30 116.55 117.35 1t32 n ASP 102 Ca -0.15 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.14 1t32 n ASP 102 Cb 0.61 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.18 1t32 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1t32 s ILE 103 N 4.85 0.00 -0.08 5.18 2.07 -1.26 -4.03 121.20 127.93 1t32 s ILE 103 Ca 0.55 -0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.65 1t32 s ILE 103 Cb 0.04 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 42.01 1t32 s ILE 103 CO 0.07 -0.01 0.29 -0.32 -1.91 0.00 0.00 174.94 173.06 1t32 s MET 104 N 0.12 0.44 -0.13 3.50 -2.45 -0.22 -1.72 119.30 118.84 1t32 s MET 104 Ca -0.01 0.21 -0.03 0.00 -1.25 0.00 0.00 55.69 54.61 1t32 s MET 104 Cb -0.03 0.20 -0.03 0.00 1.25 0.00 0.00 34.83 36.22 1t32 s MET 104 CO 0.01 -0.08 -0.03 -0.51 1.05 0.00 0.00 175.02 175.46 1t32 s LEU 105 N -0.31 3.32 -0.25 4.11 1.43 -0.52 -1.31 118.68 125.14 1t32 s LEU 105 Ca -0.04 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1t32 s LEU 105 Cb -0.03 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1t32 s LEU 105 CO 0.01 0.24 0.01 -0.76 0.23 0.00 0.00 176.35 176.08 1t32 s LEU 106 N -0.03 3.34 -0.16 1.79 1.43 0.18 -0.65 118.68 124.57 1t32 s LEU 106 Ca 0.02 -0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 52.31 1t32 s LEU 106 Cb -0.13 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1t32 s LEU 106 CO 0.02 -0.10 0.73 -1.58 0.23 0.00 0.00 176.35 175.65 1t32 s GLN 107 N 1.47 4.29 0.41 1.70 0.74 -0.07 -1.37 119.66 126.83 1t32 s GLN 107 Ca 0.04 0.84 -0.23 0.00 0.05 0.00 0.00 55.36 56.05 1t32 s GLN 107 Cb -0.16 -3.55 -0.10 0.00 1.10 0.00 0.00 33.01 30.31 1t32 s GLN 107 CO -0.01 -0.22 1.00 -0.51 -0.55 0.00 0.00 175.29 175.01 1t32 s LEU 108 N 1.79 4.08 0.57 3.68 1.43 0.28 0.23 118.68 130.74 1t32 s LEU 108 Ca 0.34 1.89 0.26 0.00 -1.03 0.00 0.00 54.13 55.60 1t32 s LEU 108 Cb -0.16 -4.30 1.65 0.00 0.03 0.00 0.00 46.19 43.41 1t32 s LEU 108 CO 0.13 -0.42 2.20 0.77 0.23 0.00 0.00 176.35 179.26 1t32 h SER 109 N 2.34 0.00 -5.04 2.29 4.64 -1.10 -3.41 113.55 113.27 1t32 h SER 109 Ca -0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 1t32 h SER 109 Cb 1.20 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.12 1t32 h SER 109 CO 0.62 0.00 -0.20 0.00 -0.87 0.00 0.00 176.83 176.38 1t32 s ARG 110 N -4.75 0.83 0.28 4.77 1.70 -1.26 -4.98 118.95 115.54 1t32 s ARG 110 Ca -0.05 -0.39 -0.29 0.00 -0.47 0.00 0.00 55.73 54.52 1t32 s ARG 110 Cb 0.16 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 34.81 1t32 s ARG 110 CO 0.58 -0.27 1.16 1.03 -1.08 0.00 0.00 175.30 176.73 1t32 s ARG 111 N -2.31 4.55 0.78 3.89 0.52 -1.26 -4.84 118.95 120.27 1t32 s ARG 111 Ca -0.06 1.92 -0.11 0.00 -0.52 0.00 0.00 55.73 56.95 1t32 s ARG 111 Cb -0.01 -3.17 0.06 0.00 0.52 0.00 0.00 34.95 32.35 1t32 s ARG 111 CO -0.02 0.08 1.08 0.14 0.02 0.00 0.00 175.30 176.60 1t32 s VAL 112 N -1.03 3.35 -0.42 3.52 -7.23 -0.63 -4.98 120.40 112.98 1t32 s VAL 112 Ca 0.47 0.44 -0.19 0.00 -1.81 0.00 0.00 61.98 60.88 1t32 s VAL 112 Cb -0.34 -3.09 0.02 0.00 0.56 0.00 0.00 36.38 33.53 1t32 s VAL 112 CO 0.44 -0.57 0.56 -0.13 -0.31 0.00 0.00 175.10 175.08 1t32 s ARG 113 N -5.03 3.25 0.12 4.82 0.52 -1.26 -4.97 118.95 116.40 1t32 s ARG 113 Ca 0.60 -0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 55.02 1t32 s ARG 113 Cb -0.15 -3.94 -0.08 0.00 0.52 0.00 0.00 34.95 31.29 1t32 s ARG 113 CO 0.55 -0.92 1.40 0.50 0.02 0.00 0.00 175.30 176.85 1t32 s ARG 114 N 2.55 4.31 0.21 3.54 3.52 -1.26 -4.79 118.95 127.03 1t32 s ARG 114 Ca 0.19 2.10 -0.07 0.00 -0.13 0.00 0.00 55.73 57.82 1t32 s ARG 114 Cb -0.15 -3.24 0.03 0.00 -1.56 0.00 0.00 34.95 30.03 1t32 s ARG 114 CO 0.17 -0.44 0.40 0.27 -0.81 0.00 0.00 175.30 174.88 1t32 n ASN 115 N 3.86 -1.15 -0.00 -2.12 0.23 -0.41 -4.99 115.26 110.68 1t32 n ASN 115 Ca 0.11 -1.86 0.20 0.00 -0.53 0.00 0.00 54.58 52.51 1t32 n ASN 115 Cb 0.42 1.93 0.68 0.00 -2.08 0.00 0.00 39.78 40.74 1t32 n ASN 115 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1t32 h ARG 116 N 0.00 0.01 0.00 -3.83 -0.00 -2.00 -2.34 114.38 106.22 1t32 h ARG 116 Ca -0.17 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.81 1t32 h ARG 116 Cb 0.65 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 1t32 h ARG 116 CO 0.22 0.01 -1.19 0.09 -0.00 0.00 0.00 179.97 179.10 1t32 n ASN 117 N -4.38 0.63 -3.57 0.08 4.13 -1.26 -4.75 115.26 106.15 1t32 n ASN 117 Ca 0.10 -0.48 -0.29 0.00 1.68 0.00 0.00 54.58 55.58 1t32 n ASN 117 Cb 0.60 1.10 -0.15 0.00 -1.54 0.00 0.00 39.78 39.79 1t32 n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1t32 s VAL 118 N -3.17 0.08 0.11 2.41 1.01 -0.88 -3.80 120.40 116.15 1t32 s VAL 118 Ca 0.03 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1t32 s VAL 118 Cb 0.15 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.48 1t32 s VAL 118 CO 0.85 -0.73 0.42 0.54 0.00 0.00 0.00 175.10 176.18 1t32 s ASN 119 N 2.00 -0.27 0.87 3.32 2.20 -1.01 -1.29 114.94 120.75 1t32 s ASN 119 Ca 0.09 -0.21 -0.11 0.00 -0.94 0.00 0.00 52.86 51.69 1t32 s ASN 119 Cb -0.16 0.47 0.11 0.00 -2.00 0.00 0.00 41.25 39.67 1t32 s ASN 119 CO -0.34 -0.81 1.10 -2.84 -2.94 0.00 0.00 177.10 171.26 1t32 s PRO 120 N -3.47 1.46 0.10 3.55 0.02 -1.26 -2.98 135.00 132.43 1t32 s PRO 120 Ca 0.01 1.04 0.07 0.00 0.02 0.00 0.00 61.00 62.14 1t32 s PRO 120 Cb 0.01 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 1t32 s PRO 120 CO -0.10 -2.16 -0.09 0.54 -0.33 0.00 0.00 177.00 174.86 1t32 s VAL 121 N -2.86 3.40 0.32 3.83 0.11 -0.72 -4.82 120.40 119.66 1t32 s VAL 121 Ca 0.63 -1.24 -0.28 0.00 -2.93 0.00 0.00 61.98 58.16 1t32 s VAL 121 Cb -0.19 -2.59 -0.09 0.00 -1.53 0.00 0.00 36.38 31.98 1t32 s VAL 121 CO 0.57 0.12 1.14 0.00 -3.33 0.00 0.00 175.10 173.61 1t32 s ALA 122 N -1.21 3.36 0.28 1.54 0.00 -1.26 -4.78 121.76 119.68 1t32 s ALA 122 Ca 0.21 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.20 1t32 s ALA 122 Cb -0.11 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1t32 s ALA 122 CO 0.14 -0.31 0.25 -0.51 0.00 0.00 0.00 175.76 175.33 1t32 s LEU 123 N -1.77 3.77 0.74 0.00 1.43 -1.26 -1.55 118.68 120.03 1t32 s LEU 123 Ca 0.48 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 1t32 s LEU 123 Cb -0.32 -2.34 0.04 0.00 0.03 0.00 0.00 46.19 43.59 1t32 s LEU 123 CO 0.42 -0.17 1.08 -2.16 0.23 0.00 0.00 176.35 175.75 1t32 s PRO 124 N -3.92 2.56 0.62 1.29 0.04 -1.26 -4.85 135.00 129.48 1t32 s PRO 124 Ca 0.36 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1t32 s PRO 124 Cb -0.07 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1t32 s PRO 124 CO 0.26 -1.30 1.03 1.03 0.04 0.00 0.00 177.00 178.06 1t32 s ARG 125 N -5.16 3.52 0.17 4.56 1.81 -1.26 -4.84 118.95 117.75 1t32 s ARG 125 Ca 0.59 0.82 -0.33 0.00 -1.72 0.00 0.00 55.73 55.09 1t32 s ARG 125 Cb -0.13 -2.07 -0.15 0.00 -0.45 0.00 0.00 34.95 32.15 1t32 s ARG 125 CO 0.54 -0.63 1.38 0.00 -0.68 0.00 0.00 175.30 175.91 1t32 n ALA 126 N -2.64 0.28 -1.10 2.13 0.00 -1.26 -2.06 120.51 115.86 1t32 n ALA 126 Ca 0.06 0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.93 1t32 n ALA 126 Cb 0.54 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 1t32 n ALA 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1t32 n GLN 127 N 2.41 -1.20 -2.15 0.00 1.13 0.04 -4.97 117.38 112.65 1t32 n GLN 127 Ca 0.15 0.48 -0.42 0.00 -1.94 0.00 0.00 57.00 55.27 1t32 n GLN 127 Cb 0.27 -4.47 -0.03 0.00 0.11 0.00 0.00 30.24 26.11 1t32 n GLN 127 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1t32 s GLU 128 N -1.74 4.32 0.00 -1.09 2.56 -0.87 -5.01 118.70 116.86 1t32 s GLU 128 Ca 0.00 2.11 0.00 0.00 0.00 0.00 0.00 54.97 57.08 1t32 s GLU 128 Cb 0.00 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 32.91 1t32 s GLU 128 CO 0.00 -0.43 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 1t32 n GLY 129 N 3.28 1.92 3.06 -1.50 0.00 -1.26 -4.74 105.19 105.96 1t32 n GLY 129 Ca 0.11 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 1t32 n GLY 129 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t32 s LEU 130 N 0.00 -0.42 0.27 0.99 2.96 -1.26 -5.15 118.68 116.07 1t32 s LEU 130 Ca 0.00 0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 54.24 1t32 s LEU 130 Cb 0.00 0.90 -0.09 0.00 0.50 0.00 0.00 46.19 47.50 1t32 s LEU 130 CO 0.00 -0.25 1.22 -0.13 -1.32 0.00 0.00 176.35 175.87 1t32 s ARG 131 N 2.48 4.48 0.48 1.98 0.52 -1.26 -4.98 118.95 122.65 1t32 s ARG 131 Ca 0.02 1.99 -0.24 0.00 -0.52 0.00 0.00 55.73 56.97 1t32 s ARG 131 Cb -0.13 -3.16 -0.07 0.00 0.52 0.00 0.00 34.95 32.11 1t32 s ARG 131 CO -0.11 -0.04 1.43 -2.14 0.02 0.00 0.00 175.30 174.46 1t32 s PRO 132 N -1.12 3.53 0.00 3.54 0.02 -1.26 -2.12 135.00 137.58 1t32 s PRO 132 Ca 0.49 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.92 1t32 s PRO 132 Cb -0.35 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1t32 s PRO 132 CO 0.44 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 1t32 n GLY 133 N 0.61 2.18 3.76 0.52 0.00 0.14 -4.95 105.19 107.44 1t32 n GLY 133 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1t32 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t32 s THR 134 N -2.57 2.86 -0.21 2.61 2.01 -0.90 -4.67 115.64 114.77 1t32 s THR 134 Ca 0.00 0.81 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 1t32 s THR 134 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1t32 s THR 134 CO 0.00 0.17 0.47 -0.22 -0.69 0.00 0.00 174.62 174.35 1t32 s LEU 135 N -1.24 4.14 0.37 4.42 2.96 -1.26 -0.87 118.68 127.20 1t32 s LEU 135 Ca 0.52 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 55.07 1t32 s LEU 135 Cb -0.39 -2.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.61 1t32 s LEU 135 CO 0.48 -0.15 0.05 0.00 -1.32 0.00 0.00 176.35 175.41 1t32 s THR 137 N -3.09 1.43 0.04 0.00 2.01 0.50 -0.38 115.64 116.16 1t32 s THR 137 Ca 0.33 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.71 1t32 s THR 137 Cb 0.08 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 1t32 s THR 137 CO 0.15 0.41 -0.26 0.54 -0.69 0.00 0.00 174.62 174.78 1t32 s VAL 138 N 0.05 2.17 0.10 3.82 0.11 -0.79 0.11 120.40 125.96 1t32 s VAL 138 Ca -0.04 -1.37 0.04 0.00 -2.93 0.00 0.00 61.98 57.68 1t32 s VAL 138 Cb -0.12 -1.85 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1t32 s VAL 138 CO 0.02 0.37 -0.12 0.00 -3.33 0.00 0.00 175.10 172.05 1t32 s ALA 139 N -0.81 1.19 0.00 1.54 0.00 -1.22 -1.77 121.76 120.69 1t32 s ALA 139 Ca 0.12 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1t32 s ALA 139 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1t32 s ALA 139 CO 0.02 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1t32 n GLY 140 N 0.73 0.14 1.38 0.00 0.00 -0.40 -4.45 105.19 102.59 1t32 n GLY 140 Ca -0.17 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 44.94 1t32 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1t32 n TRP 141 N -0.28 1.52 -1.27 1.61 8.01 -1.26 -2.08 117.44 123.69 1t32 n TRP 141 Ca 0.00 -0.89 -0.26 0.00 -1.31 0.00 0.00 57.50 55.04 1t32 n TRP 141 Cb 0.00 -0.43 0.20 0.00 -2.01 0.00 0.00 31.31 29.07 1t32 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1t32 n GLY 142 N -0.10 -2.29 3.77 6.99 0.00 -1.25 -4.44 105.19 107.87 1t32 n GLY 142 Ca 0.26 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1t32 n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t32 s ARG 143 N -5.29 3.79 0.00 1.61 0.52 0.34 -3.28 118.95 116.65 1t32 s ARG 143 Ca 0.63 1.78 0.23 0.00 -0.52 0.00 0.00 55.73 57.85 1t32 s ARG 143 Cb -0.05 -2.43 0.04 0.00 0.52 0.00 0.00 34.95 33.04 1t32 s ARG 143 CO 0.47 -0.53 1.10 1.33 0.02 0.00 0.00 175.30 177.69 1t32 n VAL 144 N -0.43 0.00 -3.84 3.52 0.24 0.15 -1.03 118.33 116.94 1t32 n VAL 144 Ca 0.07 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.24 1t32 n VAL 144 Cb 0.48 0.95 0.01 0.00 -1.47 0.00 0.00 33.84 33.81 1t32 n VAL 144 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1t32 s SER 145 N -2.75 -0.04 0.26 -1.34 1.04 -1.11 -4.48 113.70 105.29 1t32 s SER 145 Ca 0.14 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 56.07 1t32 s SER 145 Cb 0.17 0.39 0.33 0.00 0.10 0.00 0.00 66.02 67.01 1t32 s SER 145 CO 0.70 -0.75 1.86 0.24 0.98 0.00 0.00 173.24 176.27 1t32 h MET 146 N 2.00 1.06 0.00 4.02 0.00 -1.94 -3.21 114.93 116.86 1t32 h MET 146 Ca -0.26 -0.15 -0.17 0.00 0.00 0.00 0.00 59.70 59.12 1t32 h MET 146 Cb 1.21 -0.19 -0.03 0.00 0.00 0.00 0.00 31.60 32.59 1t32 h MET 146 CO 0.32 0.81 -1.27 0.00 0.00 0.00 0.00 176.91 176.77 1t32 h ARG 147 N 1.05 0.00 -6.48 1.72 3.08 -2.01 -3.48 114.38 108.26 1t32 h ARG 147 Ca 0.26 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.61 1t32 h ARG 147 Cb 0.11 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 29.91 1t32 h ARG 147 CO -0.03 0.37 -0.82 1.03 -1.07 0.00 0.00 179.97 179.45 1t32 s ARG 148 N -2.89 2.27 0.00 0.04 0.52 -1.21 -5.08 118.95 112.59 1t32 s ARG 148 Ca -0.02 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1t32 s ARG 148 Cb 0.08 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1t32 s ARG 148 CO 0.80 0.58 0.00 0.41 0.02 0.00 0.00 175.30 177.12 1t32 n GLY 151 N 2.17 5.32 3.21 -3.53 0.00 -1.26 -0.68 105.19 110.42 1t32 n GLY 151 Ca -0.17 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 1t32 n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1t32 s THR 152 N 0.90 0.06 -0.13 2.61 -1.32 -1.26 -4.64 115.64 111.86 1t32 s THR 152 Ca 0.00 -0.53 0.20 0.00 -1.21 0.00 0.00 61.69 60.15 1t32 s THR 152 Cb 0.00 -0.58 -0.21 0.00 -1.51 0.00 0.00 72.50 70.20 1t32 s THR 152 CO 0.00 -0.29 0.59 0.47 -2.21 0.00 0.00 174.62 173.18 1t32 n ASP 153 N 1.29 0.40 -4.62 8.08 8.00 -1.26 -4.86 116.55 123.58 1t32 n ASP 153 Ca -0.22 0.17 -0.26 0.00 0.71 0.00 0.00 54.79 55.20 1t32 n ASP 153 Cb 0.56 0.97 -0.08 0.00 -0.02 0.00 0.00 41.12 42.54 1t32 n ASP 153 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1t32 s THR 154 N -3.09 3.41 0.19 -3.53 -4.23 -1.26 -1.36 115.64 105.78 1t32 s THR 154 Ca -0.06 -1.67 -0.32 0.00 -1.18 0.00 0.00 61.69 58.47 1t32 s THR 154 Cb 0.10 -2.73 -0.11 0.00 1.34 0.00 0.00 72.50 71.09 1t32 s THR 154 CO 0.84 -0.18 1.66 -0.22 -0.54 0.00 0.00 174.62 176.18 1t32 s LEU 155 N -3.10 4.37 0.27 4.79 2.96 -0.79 -4.77 118.68 122.42 1t32 s LEU 155 Ca 0.27 2.78 0.06 0.00 -0.22 0.00 0.00 54.13 57.02 1t32 s LEU 155 Cb -0.08 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1t32 s LEU 155 CO 0.17 -0.92 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.11 1t32 s ARG 156 N 1.11 1.52 0.12 1.98 0.52 -0.88 -0.72 118.95 122.59 1t32 s ARG 156 Ca 0.73 -1.77 -0.18 0.00 -0.52 0.00 0.00 55.73 53.98 1t32 s ARG 156 Cb -0.47 -1.06 0.04 0.00 0.52 0.00 0.00 34.95 33.98 1t32 s ARG 156 CO 0.32 0.01 0.44 -1.83 0.02 0.00 0.00 175.30 174.26 1t32 s GLU 157 N -3.76 1.08 0.01 3.54 -1.05 0.07 -1.27 118.70 117.33 1t32 s GLU 157 Ca 0.30 -0.60 -0.14 0.00 -0.15 0.00 0.00 54.97 54.37 1t32 s GLU 157 Cb 0.04 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.24 1t32 s GLU 157 CO 0.11 -0.42 0.31 0.54 0.95 0.00 0.00 175.26 176.75 1t32 s VAL 158 N -3.56 0.07 -0.16 1.83 0.11 -0.73 -0.83 120.40 117.13 1t32 s VAL 158 Ca 0.01 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.38 1t32 s VAL 158 Cb 0.01 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 1t32 s VAL 158 CO -0.10 -0.31 0.25 -1.10 -3.33 0.00 0.00 175.10 170.51 1t32 s GLN 159 N -1.81 4.15 0.09 1.54 -0.21 -1.26 -1.89 119.66 120.27 1t32 s GLN 159 Ca -0.10 0.02 0.05 0.00 0.02 0.00 0.00 55.36 55.35 1t32 s GLN 159 Cb -0.03 -3.39 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 1t32 s GLN 159 CO 0.01 0.32 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.86 1t32 s LEU 160 N 0.23 2.34 -0.17 2.90 1.43 0.49 -4.94 118.68 120.95 1t32 s LEU 160 Ca 0.15 -0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1t32 s LEU 160 Cb -0.13 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1t32 s LEU 160 CO 0.03 -0.11 0.13 -0.13 0.23 0.00 0.00 176.35 176.49 1t32 s ARG 161 N -2.18 3.93 0.30 1.70 0.52 -1.26 -0.45 118.95 121.51 1t32 s ARG 161 Ca 0.03 -0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.74 1t32 s ARG 161 Cb -0.07 -3.33 -0.11 0.00 0.52 0.00 0.00 34.95 31.96 1t32 s ARG 161 CO 0.02 0.45 1.48 0.08 0.02 0.00 0.00 175.30 177.35 1t32 s VAL 162 N -0.08 2.36 0.26 3.52 1.01 -0.05 -0.98 120.40 126.45 1t32 s VAL 162 Ca 0.10 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.46 1t32 s VAL 162 Cb -0.11 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1t32 s VAL 162 CO -0.00 0.06 0.27 -1.10 0.00 0.00 0.00 175.10 174.33 1t32 s GLN 163 N -0.95 3.11 0.37 2.72 -1.52 0.76 0.23 119.66 124.37 1t32 s GLN 163 Ca 0.58 -0.96 -0.28 0.00 -1.95 0.00 0.00 55.36 52.75 1t32 s GLN 163 Cb -0.44 -2.69 -0.10 0.00 -0.22 0.00 0.00 33.01 29.56 1t32 s GLN 163 CO 0.50 0.38 1.33 1.03 -0.25 0.00 0.00 175.29 178.28 1t32 s ARG 164 N -3.92 4.18 0.47 2.91 0.52 -1.26 -4.56 118.95 117.29 1t32 s ARG 164 Ca 0.34 2.24 0.17 0.00 -0.52 0.00 0.00 55.73 57.96 1t32 s ARG 164 Cb -0.08 -2.94 1.15 0.00 0.52 0.00 0.00 34.95 33.60 1t32 s ARG 164 CO 0.27 -0.35 2.01 -0.44 0.02 0.00 0.00 175.30 176.81 1t32 h ASP 165 N 3.06 0.23 -0.82 0.23 3.32 -1.98 -2.55 116.42 117.92 1t32 h ASP 165 Ca -0.49 0.00 0.21 0.00 0.02 0.00 0.00 57.03 56.77 1t32 h ASP 165 Cb 1.24 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1t32 h ASP 165 CO 0.64 0.14 0.57 0.03 -1.72 0.00 0.00 179.24 178.90 1t32 h ARG 166 N 0.26 0.21 -0.14 3.56 2.47 -1.98 -0.53 114.38 118.22 1t32 h ARG 166 Ca 0.23 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.92 1t32 h ARG 166 Cb 0.57 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1t32 h ARG 166 CO -0.05 0.14 0.00 1.96 0.56 0.00 0.00 179.97 182.58 1t32 h GLN 167 N 0.21 0.25 0.00 0.04 4.20 -1.83 -2.30 115.11 115.68 1t32 h GLN 167 Ca 0.41 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.92 1t32 h GLN 167 Cb 1.28 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 1t32 h GLN 167 CO -0.09 0.48 -0.56 0.00 -0.67 0.00 0.00 178.83 177.99 1t32 h LEU 169 N 0.00 0.00 0.12 0.00 3.38 -1.01 0.13 115.31 117.93 1t32 h LEU 169 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1t32 h LEU 169 Cb 1.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.86 1t32 h LEU 169 CO 0.07 0.26 -0.98 -0.09 0.09 0.00 0.00 178.44 177.79 1t32 h ARG 170 N 0.00 0.25 -0.01 1.13 2.43 -1.15 -3.40 114.38 113.63 1t32 h ARG 170 Ca -0.00 -0.42 -0.09 0.00 -0.81 0.00 0.00 59.98 58.66 1t32 h ARG 170 Cb 0.46 0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1t32 h ARG 170 CO 0.03 1.20 -0.33 0.82 -1.51 0.00 0.00 179.97 180.19 1t32 h ILE 171 N -0.42 1.51 -3.56 1.20 2.04 -1.23 -3.45 117.51 113.60 1t32 h ILE 171 Ca -0.20 -1.95 -0.64 0.00 1.00 0.00 0.00 64.86 63.07 1t32 h ILE 171 Cb 1.62 2.69 -0.20 0.00 -0.74 0.00 0.00 36.82 40.19 1t32 h ILE 171 CO 0.09 0.54 -0.60 -0.36 0.00 0.00 0.00 178.15 177.82 1t32 s PHE 172 N -3.19 3.13 0.17 1.37 0.08 0.44 -5.05 117.98 114.95 1t32 s PHE 172 Ca -0.15 -0.24 -0.23 0.00 0.12 0.00 0.00 56.93 56.43 1t32 s PHE 172 Cb 0.02 -2.19 0.08 0.00 -0.57 0.00 0.00 43.02 40.35 1t32 s PHE 172 CO 0.76 -0.19 1.58 0.78 -0.10 0.00 0.00 175.22 178.05 1t32 h GLY 173 N 7.76 -0.28 -2.10 4.36 0.00 -1.85 -3.20 103.07 107.75 1t32 h GLY 173 Ca -0.37 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1t32 h GLY 173 CO 0.61 -0.19 0.00 1.44 0.00 0.00 0.00 176.54 178.40 1t32 n SER 174 N -5.42 3.15 -4.53 0.19 7.64 -1.26 -5.02 113.62 108.37 1t32 n SER 174 Ca 0.02 -1.96 -0.54 0.00 1.01 0.00 0.00 58.87 57.41 1t32 n SER 174 Cb 0.35 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 1t32 n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t32 n TYR 175 N 1.24 0.87 -3.85 1.43 9.36 -1.21 -4.99 117.16 120.01 1t32 n TYR 175 Ca 0.20 0.86 -0.29 0.00 3.32 0.00 0.00 57.90 61.98 1t32 n TYR 175 Cb 0.52 -2.18 -0.16 0.00 -0.63 0.00 0.00 39.34 36.90 1t32 n TYR 175 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1t32 s ASP 176 N -0.01 3.60 0.65 2.98 -1.08 -1.26 -4.95 116.67 116.60 1t32 s ASP 176 Ca 0.82 -1.15 0.32 0.00 -0.52 0.00 0.00 52.55 52.02 1t32 s ASP 176 Cb -1.05 -0.97 1.74 0.00 -1.46 0.00 0.00 42.92 41.17 1t32 s ASP 176 CO 0.53 -0.28 2.00 1.55 0.52 0.00 0.00 175.17 179.49 1t32 h PRO 177 N 8.05 0.00 0.21 4.34 0.13 -1.94 0.57 132.00 143.35 1t32 h PRO 177 Ca -0.16 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.65 1t32 h PRO 177 Cb 1.08 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.25 1t32 h PRO 177 CO 0.40 0.00 -1.39 0.00 -0.23 0.00 0.00 178.00 176.78 1t32 h ARG 178 N 0.00 0.57 -0.01 0.86 3.08 -2.01 -3.36 114.38 113.51 1t32 h ARG 178 Ca 0.03 -0.89 0.00 0.00 0.07 0.00 0.00 59.98 59.19 1t32 h ARG 178 Cb 0.61 0.32 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1t32 h ARG 178 CO -0.00 1.42 -0.68 0.54 -1.07 0.00 0.00 179.97 180.19 1t32 n ARG 179 N -3.76 0.60 -4.22 0.04 1.74 -0.70 -4.62 116.66 105.74 1t32 n ARG 179 Ca -0.16 -0.48 -0.13 0.00 -0.77 0.00 0.00 57.85 56.32 1t32 n ARG 179 Cb 1.06 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 1t32 n ARG 179 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1t32 s GLN 180 N -2.73 1.03 -0.00 5.56 -0.21 0.11 -0.47 119.66 122.95 1t32 s GLN 180 Ca 0.14 -1.48 0.06 0.00 0.02 0.00 0.00 55.36 54.10 1t32 s GLN 180 Cb 0.17 -0.21 -0.02 0.00 1.00 0.00 0.00 33.01 33.96 1t32 s GLN 180 CO 0.70 -0.12 -0.20 0.42 -2.12 0.00 0.00 175.29 173.97 1t32 s ILE 181 N -3.68 1.62 -0.29 1.08 1.01 0.66 -4.51 121.20 117.09 1t32 s ILE 181 Ca 0.21 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 1t32 s ILE 181 Cb 0.06 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1t32 s ILE 181 CO 0.02 0.40 0.19 0.00 0.00 0.00 0.00 174.94 175.55 1t32 s VAL 183 N 1.74 0.59 0.00 0.00 1.01 -0.37 -0.17 120.40 123.19 1t32 s VAL 183 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1t32 s VAL 183 Cb -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1t32 s VAL 183 CO 0.10 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1t32 n GLY 184 N 2.42 1.66 3.67 4.51 0.00 -0.15 -0.43 105.19 116.88 1t32 n GLY 184 Ca -0.16 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1t32 n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t32 s ASP 184 N 0.00 7.10 0.64 1.61 -1.08 -1.26 -3.37 116.67 120.31 1t32 s ASP 184 Ca 0.00 1.56 0.40 0.00 -0.52 0.00 0.00 52.55 53.99 1t32 s ASP 184 Cb 0.00 -2.55 2.17 0.00 -1.46 0.00 0.00 42.92 41.08 1t32 s ASP 184 CO 0.00 -0.61 2.22 -0.09 0.52 0.00 0.00 175.17 177.22 1t32 h ARG 185 N 7.49 0.00 0.00 4.34 2.43 -1.96 -2.03 114.38 124.65 1t32 h ARG 185 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1t32 h ARG 185 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1t32 h ARG 185 CO 0.92 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.92 1t32 n ARG 186 N -2.97 0.95 -4.20 0.20 3.00 -1.26 -4.80 116.66 107.57 1t32 n ARG 186 Ca -0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.65 1t32 n ARG 186 Cb 0.14 -1.48 -0.13 0.00 0.00 0.00 0.00 32.46 30.98 1t32 n ARG 186 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1t32 s GLU 187 N -2.00 0.70 -1.24 5.56 2.02 -0.76 -5.06 118.70 117.92 1t32 s GLU 187 Ca 0.44 -0.68 -0.10 0.00 0.02 0.00 0.00 54.97 54.66 1t32 s GLU 187 Cb 0.20 -0.62 0.19 0.00 0.10 0.00 0.00 34.13 34.00 1t32 s GLU 187 CO 0.34 0.15 1.71 -2.13 0.02 0.00 0.00 175.26 175.35 1t32 n ARG 188 N 1.88 3.67 -3.86 1.61 0.63 -1.26 -4.77 116.66 114.56 1t32 n ARG 188 Ca -0.19 -3.75 -0.14 0.00 -0.92 0.00 0.00 57.85 52.85 1t32 n ARG 188 Cb 0.55 -2.89 -0.15 0.00 0.45 0.00 0.00 32.46 30.42 1t32 n ARG 188 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1t32 s LYS 188 N 0.20 0.07 0.00 -0.14 1.02 -1.26 -3.60 119.74 116.02 1t32 s LYS 188 Ca 0.39 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.46 1t32 s LYS 188 Cb 0.06 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.15 1t32 s LYS 188 CO 0.01 -0.09 0.00 0.00 -0.92 0.00 0.00 175.35 174.35 1t32 n ALA 189 N 3.73 0.00 -1.83 5.17 0.00 -0.87 -4.70 120.51 122.02 1t32 n ALA 189 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.90 1t32 n ALA 189 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1t32 n ALA 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t32 s ALA 190 N -2.00 3.04 0.00 0.00 0.00 -1.26 -0.89 121.76 120.64 1t32 s ALA 190 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1t32 s ALA 190 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1t32 s ALA 190 CO 0.00 -0.16 0.00 0.34 0.00 0.00 0.00 175.76 175.94 1t32 n PHE 191 N -1.30 -0.11 -1.64 0.00 7.35 -1.26 -4.83 117.46 115.67 1t32 n PHE 191 Ca 0.07 0.00 -0.50 0.00 -0.76 0.00 0.00 57.45 56.26 1t32 n PHE 191 Cb 0.54 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.32 1t32 n PHE 191 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1t32 n LYS 192 N 0.00 1.64 0.00 -4.13 4.81 -1.26 -0.89 118.16 118.32 1t32 n LYS 192 Ca 0.00 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1t32 n LYS 192 Cb 0.00 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 32.74 1t32 n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1t32 n GLY 193 N 3.17 3.25 0.02 3.14 0.00 -1.26 -0.50 105.19 113.00 1t32 n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1t32 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t32 n ASP 194 N 0.00 0.50 -4.51 1.61 8.00 -0.07 -3.78 116.55 118.30 1t32 n ASP 194 Ca 0.00 -0.06 -0.49 0.00 0.71 0.00 0.00 54.79 54.95 1t32 n ASP 194 Cb 0.00 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 1t32 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1t32 n SER 195 N -1.68 0.32 0.00 -2.24 7.64 -1.25 -0.86 113.62 115.55 1t32 n SER 195 Ca 0.05 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1t32 n SER 195 Cb 0.37 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1t32 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t32 n GLY 196 N 1.78 3.22 3.71 0.23 0.00 0.09 0.51 105.19 114.74 1t32 n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1t32 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t32 s GLY 197 N -1.99 1.61 0.27 -0.02 0.00 -0.04 -3.25 107.32 103.89 1t32 s GLY 197 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 44.72 44.52 1t32 s GLY 197 CO 0.00 0.38 0.55 2.56 0.00 0.00 0.00 173.10 176.59 1t32 s PRO 198 N -4.95 3.68 -0.31 2.90 0.04 -1.26 -1.02 135.00 134.09 1t32 s PRO 198 Ca 0.64 0.09 -0.05 0.00 0.04 0.00 0.00 61.00 61.72 1t32 s PRO 198 Cb -0.18 -2.65 0.03 0.00 0.04 0.00 0.00 34.50 31.74 1t32 s PRO 198 CO 0.57 0.25 0.06 -1.17 0.04 0.00 0.00 177.00 176.75 1t32 s LEU 199 N -3.29 3.99 -0.26 -3.56 2.96 -0.33 -3.41 118.68 114.79 1t32 s LEU 199 Ca 0.45 -1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.16 1t32 s LEU 199 Cb -0.11 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1t32 s LEU 199 CO 0.27 -0.26 0.43 -0.76 -1.32 0.00 0.00 176.35 174.71 1t32 s LEU 200 N 1.39 4.05 -0.20 -0.68 2.01 0.29 -1.96 118.68 123.58 1t32 s LEU 200 Ca -0.01 0.40 0.02 0.00 0.01 0.00 0.00 54.13 54.54 1t32 s LEU 200 Cb -0.19 -2.53 0.03 0.00 0.01 0.00 0.00 46.19 43.52 1t32 s LEU 200 CO 0.01 -0.22 -0.16 0.00 1.01 0.00 0.00 176.35 176.99 1t32 n ASN 202 N 4.58 -5.89 -1.17 0.00 4.13 -1.26 -2.28 115.26 113.36 1t32 n ASN 202 Ca -0.18 -0.28 -0.15 0.00 1.68 0.00 0.00 54.58 55.64 1t32 n ASN 202 Cb 0.47 -4.70 -0.07 0.00 -1.54 0.00 0.00 39.78 33.94 1t32 n ASN 202 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1t32 n ASN 203 N -2.28 -4.98 -4.37 6.41 4.13 -1.26 -5.00 115.26 107.91 1t32 n ASN 203 Ca -0.10 0.38 -0.32 0.00 1.68 0.00 0.00 54.58 56.22 1t32 n ASN 203 Cb 0.61 -3.83 -0.15 0.00 -1.54 0.00 0.00 39.78 34.88 1t32 n ASN 203 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1t32 s VAL 204 N -2.52 2.44 -1.24 2.41 1.01 -0.97 -4.62 120.40 116.91 1t32 s VAL 204 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 1t32 s VAL 204 Cb 0.00 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.56 1t32 s VAL 204 CO 0.00 0.58 1.68 0.00 0.00 0.00 0.00 175.10 177.36 1t32 s ALA 209 N -0.65 3.19 0.23 5.51 0.00 -0.60 -0.95 121.76 128.50 1t32 s ALA 209 Ca 0.10 -2.78 0.09 0.00 0.00 0.00 0.00 51.96 49.37 1t32 s ALA 209 Cb -0.10 -4.62 0.19 0.00 0.00 0.00 0.00 23.12 18.59 1t32 s ALA 209 CO -0.00 -3.36 1.51 0.45 0.00 0.00 0.00 175.76 174.36 1t32 h HIS 210 N 8.04 0.05 -3.55 0.00 3.86 -1.72 -3.39 115.15 118.43 1t32 h HIS 210 Ca 0.40 -0.02 -0.35 0.00 -1.16 0.00 0.00 60.37 59.23 1t32 h HIS 210 Cb 0.90 -0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.22 1t32 h HIS 210 CO 1.40 0.75 -0.64 0.20 0.86 0.00 0.00 177.93 180.49 1t32 s GLY 211 N -4.51 1.56 -0.09 2.45 0.00 -1.15 -0.96 107.32 104.61 1t32 s GLY 211 Ca -0.01 -1.77 0.02 0.00 0.00 0.00 0.00 44.72 42.96 1t32 s GLY 211 CO 0.78 -1.62 -0.16 -0.42 0.00 0.00 0.00 173.10 171.68 1t32 s ILE 212 N -3.58 1.52 0.10 0.90 1.01 -0.72 -1.18 121.20 119.24 1t32 s ILE 212 Ca 0.31 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.97 1t32 s ILE 212 Cb 0.07 -1.37 -0.10 0.00 0.01 0.00 0.00 42.46 41.07 1t32 s ILE 212 CO 0.10 0.44 1.86 -0.69 0.00 0.00 0.00 174.94 176.65 1t32 s VAL 213 N 0.74 2.69 -0.00 2.92 1.01 -0.19 -0.48 120.40 127.09 1t32 s VAL 213 Ca -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1t32 s VAL 213 Cb -0.16 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1t32 s VAL 213 CO 0.02 -0.00 -0.03 -0.24 0.00 0.00 0.00 175.10 174.85 1t32 n SER 214 N 6.19 0.35 -3.34 3.32 2.88 -1.01 -0.73 113.62 121.29 1t32 n SER 214 Ca 0.18 0.05 -0.04 0.00 -1.33 0.00 0.00 58.87 57.73 1t32 n SER 214 Cb 0.39 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1t32 n SER 214 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1t32 s TYR 215 N -1.33 0.05 0.00 0.66 1.13 -0.92 -4.90 117.35 112.04 1t32 s TYR 215 Ca -0.03 -0.49 0.00 0.00 -1.41 0.00 0.00 57.07 55.14 1t32 s TYR 215 Cb 0.00 0.72 0.00 0.00 -1.10 0.00 0.00 41.96 41.59 1t32 s TYR 215 CO 0.04 -1.05 0.00 0.41 -2.51 0.00 0.00 175.55 172.44 1t32 n GLY 216 N -0.63 1.05 3.77 5.49 0.00 -1.26 -0.22 105.19 113.39 1t32 n GLY 216 Ca -0.04 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 1t32 n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t32 s LYS 217 N -1.57 3.29 0.34 1.61 1.02 -1.26 -4.89 119.74 118.27 1t32 s LYS 217 Ca 0.00 1.73 0.25 0.00 0.02 0.00 0.00 55.97 57.97 1t32 s LYS 217 Cb 0.00 -2.05 1.21 0.00 -0.52 0.00 0.00 37.83 36.47 1t32 s LYS 217 CO 0.00 -0.93 1.76 0.66 -0.92 0.00 0.00 175.35 175.92 1t32 h SER 218 N 1.23 0.00 1.89 2.83 4.64 -2.01 -0.39 113.55 121.74 1t32 h SER 218 Ca -0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 1t32 h SER 218 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1t32 h SER 218 CO 0.57 0.00 -0.11 0.77 -0.87 0.00 0.00 176.83 177.19 1t32 h SER 219 N 0.00 0.00 0.00 4.97 4.64 -2.04 -3.47 113.55 117.65 1t32 h SER 219 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t32 h SER 219 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1t32 h SER 219 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1t32 n GLY 220 N 1.13 0.78 3.67 -0.77 0.00 -0.16 -4.97 105.19 104.87 1t32 n GLY 220 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1t32 n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t32 s VAL 221 N -2.92 4.73 0.97 1.61 1.01 -1.26 -4.76 120.40 119.78 1t32 s VAL 221 Ca 0.00 1.98 -0.13 0.00 0.00 0.00 0.00 61.98 63.83 1t32 s VAL 221 Cb 0.00 -4.29 0.17 0.00 0.00 0.00 0.00 36.38 32.26 1t32 s VAL 221 CO 0.00 -0.11 1.13 -2.16 0.00 0.00 0.00 175.10 173.96 1t32 s PRO 224 N 2.77 0.69 0.60 2.72 0.04 -1.26 -4.50 135.00 136.06 1t32 s PRO 224 Ca 0.44 0.31 -0.20 0.00 0.04 0.00 0.00 61.00 61.60 1t32 s PRO 224 Cb -0.16 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1t32 s PRO 224 CO 0.10 -2.51 1.25 -2.30 0.04 0.00 0.00 177.00 173.58 1t32 n PRO 225 N -3.98 1.28 -4.38 0.56 -0.02 -1.22 -4.15 135.00 123.10 1t32 n PRO 225 Ca 0.07 0.49 -0.19 0.00 -2.02 0.00 0.00 63.50 61.85 1t32 n PRO 225 Cb 0.59 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 1t32 n PRO 225 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1t32 s GLU 226 N -3.06 1.46 -0.13 -0.52 -1.05 0.43 -4.65 118.70 111.18 1t32 s GLU 226 Ca 0.77 -1.76 -0.03 0.00 -0.15 0.00 0.00 54.97 53.80 1t32 s GLU 226 Cb -0.40 -0.75 -0.03 0.00 -0.44 0.00 0.00 34.13 32.51 1t32 s GLU 226 CO 0.45 -0.11 -0.01 0.08 0.95 0.00 0.00 175.26 176.61 1t32 s VAL 227 N -3.34 4.14 0.16 1.83 1.01 0.69 -1.24 120.40 123.65 1t32 s VAL 227 Ca 0.31 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.11 1t32 s VAL 227 Cb 0.06 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1t32 s VAL 227 CO 0.11 0.54 -0.23 -0.36 0.00 0.00 0.00 175.10 175.16 1t32 s PHE 228 N -0.17 2.12 0.12 5.22 0.40 -0.52 -2.16 117.98 122.99 1t32 s PHE 228 Ca 0.04 -0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 55.70 1t32 s PHE 228 Cb -0.13 -1.09 -0.06 0.00 0.51 0.00 0.00 43.02 42.24 1t32 s PHE 228 CO 0.02 0.38 0.87 0.99 0.70 0.00 0.00 175.22 178.18 1t32 s THR 229 N -1.51 4.49 -0.61 0.64 2.01 0.37 -0.25 115.64 120.78 1t32 s THR 229 Ca 0.16 1.89 -0.23 0.00 0.31 0.00 0.00 61.69 63.82 1t32 s THR 229 Cb -0.08 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.25 1t32 s THR 229 CO 0.07 0.39 0.95 -0.60 -0.69 0.00 0.00 174.62 174.74 1t32 s ARG 230 N -0.35 3.20 0.29 4.92 3.52 0.38 -1.76 118.95 129.15 1t32 s ARG 230 Ca 0.42 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 1t32 s ARG 230 Cb -0.23 -4.15 0.68 0.00 -1.56 0.00 0.00 34.95 29.69 1t32 s ARG 230 CO 0.28 -1.66 1.75 0.28 -0.81 0.00 0.00 175.30 175.14 1t32 h VAL 231 N 5.99 0.64 0.00 7.11 2.07 -1.34 -2.40 116.25 128.32 1t32 h VAL 231 Ca -0.28 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1t32 h VAL 231 Cb 1.07 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1t32 h VAL 231 CO 1.13 0.11 0.00 -1.54 0.02 0.00 0.00 177.57 177.30 1t32 n SER 232 N -4.88 0.41 -0.31 0.57 3.41 -1.26 -1.14 113.62 110.43 1t32 n SER 232 Ca 0.21 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.64 1t32 n SER 232 Cb 0.56 -0.75 0.30 0.00 -0.26 0.00 0.00 64.21 64.06 1t32 n SER 232 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1t32 n SER 233 N -2.06 1.26 -0.26 4.04 7.64 -0.90 -0.78 113.62 122.56 1t32 n SER 233 Ca -0.01 -1.04 0.03 0.00 1.01 0.00 0.00 58.87 58.85 1t32 n SER 233 Cb 0.03 0.21 0.07 0.00 -1.01 0.00 0.00 64.21 63.50 1t32 n SER 233 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1t32 n PHE 234 N -0.49 0.19 -0.18 1.43 3.72 -0.29 -4.79 117.46 117.06 1t32 n PHE 234 Ca 0.12 -0.53 -0.02 0.00 -0.05 0.00 0.00 57.45 56.97 1t32 n PHE 234 Cb 0.37 -0.05 0.08 0.00 -0.94 0.00 0.00 39.48 38.95 1t32 n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1t32 h LEU 235 N 0.79 0.15 -0.32 4.37 -0.00 -1.72 -0.17 115.31 118.41 1t32 h LEU 235 Ca 0.00 0.08 0.07 0.00 -0.00 0.00 0.00 57.88 58.02 1t32 h LEU 235 Cb 0.63 0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.30 1t32 h LEU 235 CO 0.01 0.10 -0.09 -0.65 -0.00 0.00 0.00 178.44 177.81 1t32 h PRO 236 N 0.34 -0.01 -0.59 1.13 0.11 -1.92 0.40 132.00 131.47 1t32 h PRO 236 Ca 0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.36 1t32 h PRO 236 Cb 0.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1t32 h PRO 236 CO -0.29 -0.01 0.27 2.35 -0.21 0.00 0.00 178.00 180.11 1t32 h TRP 237 N -0.01 0.86 -0.41 0.65 7.01 -1.80 -0.04 115.95 122.21 1t32 h TRP 237 Ca 0.16 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1t32 h TRP 237 Cb 0.25 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1t32 h TRP 237 CO -0.31 0.67 0.20 0.82 -2.79 0.00 0.00 178.44 177.03 1t32 h ILE 238 N 0.80 1.17 0.64 2.65 2.04 -0.40 -0.03 117.51 124.38 1t32 h ILE 238 Ca 0.20 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1t32 h ILE 238 Cb 0.14 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1t32 h ILE 238 CO -0.02 0.19 -0.50 0.03 0.00 0.00 0.00 178.15 177.85 1t32 h ARG 239 N 0.53 -1.05 -0.19 2.37 -0.00 0.08 -1.04 114.38 115.07 1t32 h ARG 239 Ca 0.14 0.07 0.05 0.00 -0.50 0.00 0.00 59.98 59.75 1t32 h ARG 239 Cb 0.11 0.24 -0.06 0.00 0.00 0.00 0.00 29.97 30.26 1t32 h ARG 239 CO -0.02 -0.70 -0.25 1.15 0.00 0.00 0.00 179.97 180.15 1t32 h THR 240 N -1.09 0.39 -0.48 2.04 2.02 -0.92 0.26 112.91 115.13 1t32 h THR 240 Ca -0.08 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.15 1t32 h THR 240 Cb 0.91 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1t32 h THR 240 CO 0.02 0.00 0.32 0.74 0.37 0.00 0.00 175.52 176.97 1t32 h THR 241 N -0.29 0.98 0.00 3.16 2.02 -0.90 -2.14 112.91 115.74 1t32 h THR 241 Ca 0.12 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1t32 h THR 241 Cb 0.47 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1t32 h THR 241 CO -0.35 0.08 -0.92 0.24 0.37 0.00 0.00 175.52 174.94 1t32 h MET 242 N 0.42 0.00 -2.98 6.66 2.07 -0.30 -3.36 114.93 117.44 1t32 h MET 242 Ca 0.21 0.00 -0.60 0.00 -2.07 0.00 0.00 59.70 57.24 1t32 h MET 242 Cb 0.28 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 30.04 1t32 h MET 242 CO -0.05 0.23 3.40 -2.13 1.07 0.00 0.00 176.91 179.42 1t32 n ARG 243 N -2.94 3.37 0.00 1.72 3.00 0.84 -5.09 116.66 117.57 1t32 n ARG 243 Ca -0.03 -2.01 0.13 0.00 -0.00 0.00 0.00 57.85 55.94 1t32 n ARG 243 Cb 0.70 -2.69 0.24 0.00 0.00 0.00 0.00 32.46 30.71 1t32 n ARG 243 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50