#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aa1 h LEU 22 N 0.00 0.09 -0.22 -5.58 4.07 -1.98 -1.65 115.31 110.04 1aa1 h LEU 22 Ca 0.00 0.04 -0.19 0.00 0.08 0.00 0.00 57.88 57.81 1aa1 h LEU 22 Cb 0.00 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 1aa1 h LEU 22 CO 0.00 0.09 -0.90 0.74 -1.08 0.00 0.00 178.44 177.29 1aa1 h THR 23 N 0.24 1.62 0.00 0.22 2.02 -2.01 -3.39 112.91 111.61 1aa1 h THR 23 Ca 0.15 -3.01 0.00 0.00 0.77 0.00 0.00 66.41 64.32 1aa1 h THR 23 Cb 0.14 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1aa1 h THR 23 CO -0.17 0.86 -1.41 -1.22 0.37 0.00 0.00 175.52 173.95 1aa1 n TYR 24 N -3.50 0.00 -3.46 3.16 4.02 -1.17 -4.81 117.16 111.41 1aa1 n TYR 24 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 1aa1 n TYR 24 Cb 0.85 -0.25 -0.10 0.00 -0.02 0.00 0.00 39.34 39.82 1aa1 n TYR 24 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1aa1 s TYR 25 N -2.93 3.24 -0.57 -0.72 5.04 -0.63 -0.45 117.35 120.34 1aa1 s TYR 25 Ca -0.02 -0.68 0.06 0.00 -2.44 0.00 0.00 57.07 53.99 1aa1 s TYR 25 Cb 0.11 -2.69 0.23 0.00 0.35 0.00 0.00 41.96 39.96 1aa1 s TYR 25 CO 0.68 -0.63 0.61 2.41 -1.34 0.00 0.00 175.55 177.28 1aa1 n THR 26 N 5.16 1.15 0.08 4.34 -1.04 0.97 -4.85 114.28 120.09 1aa1 n THR 26 Ca -0.11 -4.70 0.02 0.00 -2.04 0.00 0.00 64.05 57.23 1aa1 n THR 26 Cb 0.46 -2.04 0.12 0.00 -1.82 0.00 0.00 70.33 67.06 1aa1 n THR 26 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1aa1 n PRO 27 N 1.35 0.02 0.00 -2.82 -0.04 -1.26 -1.34 135.00 130.91 1aa1 n PRO 27 Ca 0.26 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 64.32 1aa1 n PRO 27 Cb 0.44 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1aa1 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1aa1 n GLU 28 N -1.62 0.56 -1.86 0.54 0.00 -1.26 -4.88 120.64 112.12 1aa1 n GLU 28 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 57.16 56.29 1aa1 n GLU 28 Cb 0.03 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 29.95 1aa1 n GLU 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1aa1 s TYR 29 N -2.75 2.95 -0.26 -1.84 5.04 -0.45 -5.00 117.35 115.04 1aa1 s TYR 29 Ca 0.13 0.64 -0.09 0.00 -2.44 0.00 0.00 57.07 55.31 1aa1 s TYR 29 Cb 0.17 -4.00 -0.04 0.00 0.35 0.00 0.00 41.96 38.44 1aa1 s TYR 29 CO 0.72 -3.60 0.14 -1.21 -1.34 0.00 0.00 175.55 170.26 1aa1 s GLU 30 N 0.60 3.87 0.56 4.97 2.02 -1.26 -4.98 118.70 124.48 1aa1 s GLU 30 Ca 0.68 -0.37 -0.20 0.00 0.02 0.00 0.00 54.97 55.10 1aa1 s GLU 30 Cb -0.46 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1aa1 s GLU 30 CO 0.37 -0.11 1.27 0.95 0.02 0.00 0.00 175.26 177.75 1aa1 s THR 31 N 1.49 2.43 0.18 3.63 -4.23 -1.26 -5.02 115.64 112.86 1aa1 s THR 31 Ca 0.06 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 1aa1 s THR 31 Cb -0.15 -3.14 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 1aa1 s THR 31 CO 0.07 -0.03 0.40 -0.76 -0.54 0.00 0.00 174.62 173.76 1aa1 s LEU 32 N -3.74 4.23 0.00 4.79 1.43 -1.26 -4.97 118.68 119.15 1aa1 s LEU 32 Ca 0.74 0.54 0.09 0.00 -1.03 0.00 0.00 54.13 54.47 1aa1 s LEU 32 Cb -0.35 -3.29 0.38 0.00 0.03 0.00 0.00 46.19 42.97 1aa1 s LEU 32 CO 0.39 -0.01 1.29 0.47 0.23 0.00 0.00 176.35 178.72 1aa1 n ASP 33 N -0.31 0.00 -0.38 2.29 8.00 -1.26 -1.78 116.55 123.12 1aa1 n ASP 33 Ca -0.03 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.08 1aa1 n ASP 33 Cb 0.53 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1aa1 n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1aa1 n THR 34 N -1.51 0.00 -2.58 -3.53 -2.24 -1.26 -4.42 114.28 98.75 1aa1 n THR 34 Ca 0.02 -0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 1aa1 n THR 34 Cb 0.10 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.49 1aa1 n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1aa1 s ASP 35 N -2.58 6.54 -0.20 3.42 1.01 -0.73 -3.65 116.67 120.49 1aa1 s ASP 35 Ca 0.16 1.94 -0.13 0.00 0.71 0.00 0.00 52.55 55.23 1aa1 s ASP 35 Cb 0.17 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 1aa1 s ASP 35 CO 0.63 -0.64 0.25 -0.63 0.21 0.00 0.00 175.17 174.99 1aa1 s ILE 36 N -1.90 5.31 -0.09 0.77 1.09 -0.23 -4.15 121.20 122.00 1aa1 s ILE 36 Ca 0.64 0.42 -0.00 0.00 -1.10 0.00 0.00 60.65 60.60 1aa1 s ILE 36 Cb -0.17 -3.59 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 1aa1 s ILE 36 CO 0.21 0.35 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.58 1aa1 s LEU 37 N 0.82 3.16 -0.03 2.97 1.43 -1.07 -0.36 118.68 125.61 1aa1 s LEU 37 Ca 0.13 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1aa1 s LEU 37 Cb -0.13 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1aa1 s LEU 37 CO 0.04 0.31 -0.23 0.00 0.23 0.00 0.00 176.35 176.70 1aa1 s ALA 38 N -0.49 1.92 -0.37 4.21 0.00 0.72 -0.50 121.76 127.25 1aa1 s ALA 38 Ca 0.07 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1aa1 s ALA 38 Cb -0.12 -0.54 0.07 0.00 0.00 0.00 0.00 23.12 22.52 1aa1 s ALA 38 CO 0.02 0.42 0.15 0.00 0.00 0.00 0.00 175.76 176.35 1aa1 s ALA 39 N -0.33 3.09 -0.10 0.00 0.00 -0.59 -0.94 121.76 122.90 1aa1 s ALA 39 Ca 0.03 -2.02 -0.06 0.00 0.00 0.00 0.00 51.96 49.92 1aa1 s ALA 39 Cb -0.11 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1aa1 s ALA 39 CO 0.01 -1.50 0.13 -0.06 0.00 0.00 0.00 175.76 174.33 1aa1 s PHE 40 N 1.33 3.54 -0.51 0.00 0.08 0.05 -0.94 117.98 121.53 1aa1 s PHE 40 Ca 0.01 0.46 -0.16 0.00 0.12 0.00 0.00 56.93 57.36 1aa1 s PHE 40 Cb -0.21 -1.90 0.10 0.00 -0.57 0.00 0.00 43.02 40.44 1aa1 s PHE 40 CO 0.01 0.69 0.47 0.50 -0.10 0.00 0.00 175.22 176.79 1aa1 s ARG 41 N -1.14 2.99 -0.19 0.44 3.52 0.59 -0.40 118.95 124.76 1aa1 s ARG 41 Ca 0.17 -1.50 -0.13 0.00 -0.13 0.00 0.00 55.73 54.14 1aa1 s ARG 41 Cb -0.12 -4.22 -0.05 0.00 -1.56 0.00 0.00 34.95 29.01 1aa1 s ARG 41 CO 0.06 -1.20 0.26 0.08 -0.81 0.00 0.00 175.30 173.69 1aa1 s VAL 42 N 1.71 5.31 -0.48 7.11 1.01 0.12 -2.12 120.40 133.07 1aa1 s VAL 42 Ca 0.04 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1aa1 s VAL 42 Cb -0.27 -3.60 0.13 0.00 0.00 0.00 0.00 36.38 32.64 1aa1 s VAL 42 CO 0.05 0.37 0.23 -0.44 0.00 0.00 0.00 175.10 175.31 1aa1 s SER 43 N 0.64 4.67 0.72 3.32 0.01 -1.12 -0.95 113.70 120.99 1aa1 s SER 43 Ca 0.14 -2.67 -0.12 0.00 1.31 0.00 0.00 55.95 54.61 1aa1 s SER 43 Cb -0.13 -1.69 0.03 0.00 0.21 0.00 0.00 66.02 64.44 1aa1 s SER 43 CO 0.04 -0.32 1.09 -2.84 0.41 0.00 0.00 173.24 171.62 1aa1 s PRO 44 N 0.19 2.54 0.61 12.44 0.02 -1.26 -0.57 135.00 148.97 1aa1 s PRO 44 Ca 0.15 1.23 -0.17 0.00 0.02 0.00 0.00 61.00 62.23 1aa1 s PRO 44 Cb -0.23 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 1aa1 s PRO 44 CO -0.03 -1.44 1.13 -0.65 -0.33 0.00 0.00 177.00 175.68 1aa1 s GLN 45 N -4.60 3.02 0.26 5.54 -1.52 -0.37 -4.45 119.66 117.54 1aa1 s GLN 45 Ca 0.63 1.51 -0.31 0.00 -1.95 0.00 0.00 55.36 55.24 1aa1 s GLN 45 Cb -0.18 -1.97 -0.12 0.00 -0.22 0.00 0.00 33.01 30.52 1aa1 s GLN 45 CO 0.50 -1.10 1.66 -0.35 -0.25 0.00 0.00 175.29 175.75 1aa1 n PRO 46 N -1.93 2.77 0.00 2.91 -0.04 -1.26 -2.11 135.00 135.34 1aa1 n PRO 46 Ca 0.11 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 1aa1 n PRO 46 Cb 0.51 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1aa1 n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aa1 n GLY 47 N 2.89 0.80 3.44 0.55 0.00 -1.26 -5.05 105.19 106.56 1aa1 n GLY 47 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1aa1 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aa1 s VAL 48 N -2.16 4.98 0.79 1.61 1.01 -0.90 -5.08 120.40 120.65 1aa1 s VAL 48 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1aa1 s VAL 48 Cb 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1aa1 s VAL 48 CO 0.00 -0.20 1.15 -2.16 0.00 0.00 0.00 175.10 173.89 1aa1 s PRO 49 N 1.64 1.90 0.13 2.72 0.04 -1.26 -4.74 135.00 135.42 1aa1 s PRO 49 Ca 0.04 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 1aa1 s PRO 49 Cb -0.19 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1aa1 s PRO 49 CO 0.09 -1.97 1.57 -1.35 0.04 0.00 0.00 177.00 175.37 1aa1 h PRO 50 N -0.90 -0.49 -0.87 0.56 0.11 -1.99 -1.51 132.00 126.92 1aa1 h PRO 50 Ca -0.45 0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.83 1aa1 h PRO 50 Cb 1.27 0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.40 1aa1 h PRO 50 CO 0.48 -0.32 0.46 0.93 -0.21 0.00 0.00 178.00 179.34 1aa1 h GLU 51 N -0.50 0.65 -0.24 1.05 3.07 -1.99 0.13 114.58 116.75 1aa1 h GLU 51 Ca 0.07 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.71 1aa1 h GLU 51 Cb 0.65 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1aa1 h GLU 51 CO -0.46 0.43 -0.55 1.49 -1.40 0.00 0.00 179.01 178.53 1aa1 h GLU 52 N 0.67 0.71 -0.05 2.33 4.57 -1.82 -1.07 114.58 119.91 1aa1 h GLU 52 Ca 0.47 -0.44 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1aa1 h GLU 52 Cb 0.63 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1aa1 h GLU 52 CO -0.35 1.07 0.02 0.00 -1.18 0.00 0.00 179.01 178.57 1aa1 h ALA 53 N 0.84 0.07 -0.85 2.92 0.00 -0.18 0.98 119.26 123.04 1aa1 h ALA 53 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1aa1 h ALA 53 Cb 1.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1aa1 h ALA 53 CO 0.11 -0.37 0.46 0.78 0.00 0.00 0.00 179.25 180.23 1aa1 h GLY 54 N -0.04 1.28 1.32 0.00 0.00 -0.78 -0.08 103.07 104.76 1aa1 h GLY 54 Ca 0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1aa1 h GLY 54 CO -0.00 0.56 -0.05 0.00 0.00 0.00 0.00 176.54 177.05 1aa1 h ALA 55 N 1.30 1.02 -0.45 3.60 0.00 -0.97 -2.28 119.26 121.48 1aa1 h ALA 55 Ca 0.30 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1aa1 h ALA 55 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1aa1 h ALA 55 CO -0.05 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.93 1aa1 h ALA 56 N 1.19 0.60 -0.56 0.00 0.00 0.23 -1.27 119.26 119.45 1aa1 h ALA 56 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1aa1 h ALA 56 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1aa1 h ALA 56 CO 0.03 0.27 0.36 0.28 0.00 0.00 0.00 179.25 180.19 1aa1 h VAL 57 N 0.60 1.15 -0.19 0.00 2.07 -0.80 0.74 116.25 119.82 1aa1 h VAL 57 Ca 0.14 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1aa1 h VAL 57 Cb 0.30 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1aa1 h VAL 57 CO -0.00 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.79 1aa1 h ALA 58 N 1.19 0.25 0.13 1.67 0.00 -1.25 -2.20 119.26 119.05 1aa1 h ALA 58 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1aa1 h ALA 58 Cb -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1aa1 h ALA 58 CO -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 179.25 179.03 1aa1 h ALA 59 N 0.87 -0.17 0.00 0.00 0.00 -1.08 -2.73 119.26 116.14 1aa1 h ALA 59 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1aa1 h ALA 59 Cb 0.25 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1aa1 h ALA 59 CO -0.00 -0.48 -0.01 0.93 0.00 0.00 0.00 179.25 179.69 1aa1 h GLU 60 N -0.41 0.00 -0.62 0.00 4.39 -0.88 -1.52 114.58 115.54 1aa1 h GLU 60 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1aa1 h GLU 60 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1aa1 h GLU 60 CO 0.03 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.76 1aa1 n SER 61 N -3.20 3.67 0.00 1.42 3.41 -0.83 -4.21 113.62 113.88 1aa1 n SER 61 Ca -0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1aa1 n SER 61 Cb 0.11 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1aa1 n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aa1 n SER 62 N 1.36 0.00 0.00 4.04 3.41 -0.57 -4.62 113.62 117.24 1aa1 n SER 62 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1aa1 n SER 62 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1aa1 n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aa1 n THR 63 N 0.00 0.00 -2.10 6.66 -2.24 -1.21 -5.00 114.28 110.39 1aa1 n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1aa1 n THR 63 Cb 0.00 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1aa1 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aa1 n GLY 64 N 3.92 -5.20 2.86 3.38 0.00 -1.24 -4.67 105.19 104.23 1aa1 n GLY 64 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1aa1 n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aa1 s THR 65 N -0.60 0.12 0.61 2.61 -1.32 -1.26 -4.90 115.64 110.90 1aa1 s THR 65 Ca 0.00 0.02 0.34 0.00 -1.21 0.00 0.00 61.69 60.84 1aa1 s THR 65 Cb 0.00 -0.17 0.38 0.00 -1.51 0.00 0.00 72.50 71.21 1aa1 s THR 65 CO 0.00 0.08 2.29 4.11 -2.21 0.00 0.00 174.62 178.89 1aa1 h TRP 66 N 6.65 0.00 -3.97 9.09 5.08 -2.03 -3.42 115.95 127.34 1aa1 h TRP 66 Ca -0.34 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 59.40 1aa1 h TRP 66 Cb 1.17 0.00 -0.21 0.00 -3.00 0.00 0.00 29.16 27.12 1aa1 h TRP 66 CO 0.45 0.00 -0.72 -0.08 -1.28 0.00 0.00 178.44 176.82 1aa1 s THR 67 N -4.48 0.39 0.20 0.12 -1.32 -1.26 -5.13 115.64 104.14 1aa1 s THR 67 Ca -0.05 -1.10 -0.30 0.00 -1.21 0.00 0.00 61.69 59.03 1aa1 s THR 67 Cb 0.14 -0.58 -0.08 0.00 -1.51 0.00 0.00 72.50 70.47 1aa1 s THR 67 CO 0.51 -0.47 1.26 -0.89 -2.21 0.00 0.00 174.62 172.82 1aa1 s THR 68 N -1.63 3.35 -0.05 5.08 2.01 -1.26 -5.04 115.64 118.10 1aa1 s THR 68 Ca -0.10 1.12 0.05 0.00 0.31 0.00 0.00 61.69 63.07 1aa1 s THR 68 Cb -0.08 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1aa1 s THR 68 CO -0.01 0.17 -0.21 0.68 -0.69 0.00 0.00 174.62 174.56 1aa1 s VAL 69 N 0.03 1.74 0.54 3.82 -7.23 -1.26 -5.04 120.40 113.00 1aa1 s VAL 69 Ca 0.55 -0.90 0.28 0.00 -1.81 0.00 0.00 61.98 60.10 1aa1 s VAL 69 Cb -0.35 -1.48 0.33 0.00 0.56 0.00 0.00 36.38 35.44 1aa1 s VAL 69 CO 0.38 0.49 2.20 4.11 -0.31 0.00 0.00 175.10 181.97 1aa1 h TRP 70 N 6.09 0.00 0.00 2.82 5.08 -2.04 -2.88 115.95 125.02 1aa1 h TRP 70 Ca -0.33 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.61 1aa1 h TRP 70 Cb 1.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1aa1 h TRP 70 CO 0.43 0.04 -0.13 1.79 -1.28 0.00 0.00 178.44 179.29 1aa1 h THR 71 N 0.00 0.74 -0.20 0.12 1.35 -2.03 -2.46 112.91 110.44 1aa1 h THR 71 Ca -0.00 -0.51 0.06 0.00 -0.55 0.00 0.00 66.41 65.41 1aa1 h THR 71 Cb 0.10 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1aa1 h THR 71 CO 0.01 0.12 0.19 0.44 -0.25 0.00 0.00 175.52 176.03 1aa1 h ASP 72 N 0.00 0.00 0.32 5.36 3.32 -1.88 -0.48 116.42 123.06 1aa1 h ASP 72 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1aa1 h ASP 72 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1aa1 h ASP 72 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1aa1 n GLY 73 N -1.45 -0.99 0.24 2.75 0.00 -0.92 -2.76 105.19 102.05 1aa1 n GLY 73 Ca 0.02 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1aa1 n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aa1 n LEU 74 N -1.21 1.09 -4.38 0.99 4.77 -0.19 -4.94 117.00 113.14 1aa1 n LEU 74 Ca 0.13 -0.31 -0.22 0.00 -0.03 0.00 0.00 56.01 55.59 1aa1 n LEU 74 Cb 0.16 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1aa1 n LEU 74 CO 0.17 0.21 -0.16 -0.89 -1.33 0.00 0.00 177.39 175.39 1aa1 s THR 75 N -2.59 0.29 -0.59 -5.08 2.01 -1.11 -5.10 115.64 103.46 1aa1 s THR 75 Ca 0.21 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.17 1aa1 s THR 75 Cb 0.19 -2.44 0.15 0.00 0.01 0.00 0.00 72.50 70.41 1aa1 s THR 75 CO 0.57 0.00 0.42 0.21 -0.69 0.00 0.00 174.62 175.12 1aa1 s ASN 76 N -3.46 5.38 0.55 3.53 2.47 -1.26 -4.96 114.94 117.18 1aa1 s ASN 76 Ca 0.33 -2.65 0.37 0.00 0.42 0.00 0.00 52.86 51.33 1aa1 s ASN 76 Cb 0.03 -1.88 1.93 0.00 -1.45 0.00 0.00 41.25 39.87 1aa1 s ASN 76 CO 0.20 -0.43 2.13 -0.07 -3.72 0.00 0.00 177.10 175.21 1aa1 h LEU 77 N 7.34 0.00 -1.48 3.21 4.07 -1.99 -2.12 115.31 124.34 1aa1 h LEU 77 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1aa1 h LEU 77 Cb 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1aa1 h LEU 77 CO 0.72 0.00 0.00 0.44 -1.08 0.00 0.00 178.44 178.52 1aa1 h ASP 78 N 0.00 0.00 1.79 -0.43 3.32 -1.96 -1.36 116.42 117.77 1aa1 h ASP 78 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1aa1 h ASP 78 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1aa1 h ASP 78 CO 0.00 0.00 0.00 -0.09 -1.72 0.00 0.00 179.24 177.43 1aa1 h ARG 79 N 0.00 0.00 -0.00 3.56 2.43 -1.82 -3.34 114.38 115.21 1aa1 h ARG 79 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1aa1 h ARG 79 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1aa1 h ARG 79 CO 0.00 0.00 -0.07 0.66 -1.51 0.00 0.00 179.97 179.05 1aa1 n TYR 80 N -2.84 0.00 -2.30 2.20 4.01 -0.78 -4.82 117.16 112.63 1aa1 n TYR 80 Ca 0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1aa1 n TYR 80 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 1aa1 n TYR 80 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1aa1 s LYS 81 N -0.84 3.70 0.27 -0.72 -2.85 -0.58 -4.60 119.74 114.12 1aa1 s LYS 81 Ca 0.02 1.11 -0.12 0.00 -1.00 0.00 0.00 55.97 55.97 1aa1 s LYS 81 Cb 0.02 -2.09 -0.08 0.00 -2.06 0.00 0.00 37.83 33.62 1aa1 s LYS 81 CO 0.08 -0.48 0.63 0.20 0.10 0.00 0.00 175.35 175.88 1aa1 s GLY 82 N -2.78 2.32 -0.09 0.59 0.00 -1.26 -4.53 107.32 101.57 1aa1 s GLY 82 Ca 0.62 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 45.22 1aa1 s GLY 82 CO 0.31 0.06 -0.08 0.50 0.00 0.00 0.00 173.10 173.89 1aa1 s ARG 83 N -2.83 1.43 -0.57 2.90 0.52 -0.49 -4.62 118.95 115.30 1aa1 s ARG 83 Ca 0.50 -0.26 -0.25 0.00 -0.52 0.00 0.00 55.73 55.20 1aa1 s ARG 83 Cb -0.11 -1.40 0.04 0.00 0.52 0.00 0.00 34.95 34.00 1aa1 s ARG 83 CO 0.19 -0.16 1.00 0.00 0.02 0.00 0.00 175.30 176.35 1aa1 n TYR 85 N 7.70 0.02 -3.62 0.00 4.11 -0.63 -0.02 117.16 124.71 1aa1 n TYR 85 Ca 0.03 0.01 -0.15 0.00 -0.00 0.00 0.00 57.90 57.78 1aa1 n TYR 85 Cb 0.48 -0.13 -0.07 0.00 -0.00 0.00 0.00 39.34 39.61 1aa1 n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1aa1 s HIS 86 N -3.10 -0.61 -0.00 -3.48 5.04 -1.23 -4.02 115.29 107.89 1aa1 s HIS 86 Ca 0.05 1.27 -0.00 0.00 -1.54 0.00 0.00 55.06 54.84 1aa1 s HIS 86 Cb 0.16 0.28 0.00 0.00 0.04 0.00 0.00 32.58 33.06 1aa1 s HIS 86 CO 0.86 -0.44 0.01 0.42 -2.34 0.00 0.00 174.74 173.24 1aa1 s ILE 87 N -0.47 -0.01 -0.10 0.89 1.01 -1.26 -0.44 121.20 120.81 1aa1 s ILE 87 Ca -0.06 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 1aa1 s ILE 87 Cb -0.03 -0.02 0.04 0.00 0.01 0.00 0.00 42.46 42.46 1aa1 s ILE 87 CO 0.05 0.01 0.25 -1.83 0.00 0.00 0.00 174.94 173.43 1aa1 s GLU 88 N 0.15 0.26 0.69 2.79 -1.05 -0.75 -4.99 118.70 115.80 1aa1 s GLU 88 Ca -0.01 0.45 -0.17 0.00 -0.15 0.00 0.00 54.97 55.09 1aa1 s GLU 88 Cb -0.02 0.02 0.02 0.00 -0.44 0.00 0.00 34.13 33.71 1aa1 s GLU 88 CO -0.00 -0.10 1.25 -2.14 0.95 0.00 0.00 175.26 175.22 1aa1 s PRO 89 N 0.68 2.32 -0.17 -4.83 0.02 -1.26 -0.64 135.00 131.11 1aa1 s PRO 89 Ca -0.04 1.93 -0.15 0.00 0.02 0.00 0.00 61.00 62.76 1aa1 s PRO 89 Cb -0.06 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1aa1 s PRO 89 CO -0.04 -1.74 0.35 0.08 -0.33 0.00 0.00 177.00 175.32 1aa1 s VAL 90 N -1.67 5.26 0.18 3.83 1.01 -0.12 -4.73 120.40 124.17 1aa1 s VAL 90 Ca 0.79 0.64 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 1aa1 s VAL 90 Cb -0.34 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1aa1 s VAL 90 CO 0.42 0.34 1.46 0.00 0.00 0.00 0.00 175.10 177.32 1aa1 s ALA 91 N 0.77 3.67 -1.40 5.51 0.00 -1.26 -3.18 121.76 125.86 1aa1 s ALA 91 Ca 0.18 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1aa1 s ALA 91 Cb -0.14 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1aa1 s ALA 91 CO 0.06 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1aa1 n GLY 92 N 3.11 -0.15 3.09 0.00 0.00 -1.26 -5.00 105.19 104.99 1aa1 n GLY 92 Ca 0.10 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1aa1 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aa1 s GLU 93 N -4.69 0.86 -0.27 1.61 2.56 -1.19 -5.10 118.70 112.47 1aa1 s GLU 93 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 54.97 54.11 1aa1 s GLU 93 Cb 0.00 -0.83 0.01 0.00 2.00 0.00 0.00 34.13 35.31 1aa1 s GLU 93 CO 0.00 0.21 0.99 -2.00 -0.56 0.00 0.00 175.26 173.90 1aa1 s GLU 94 N -0.76 4.15 -1.14 4.30 2.56 -1.26 -4.32 118.70 122.23 1aa1 s GLU 94 Ca 0.02 1.11 -0.22 0.00 0.00 0.00 0.00 54.97 55.87 1aa1 s GLU 94 Cb -0.06 -3.68 -0.00 0.00 2.00 0.00 0.00 34.13 32.38 1aa1 s GLU 94 CO 0.00 -0.71 0.78 -1.71 -0.56 0.00 0.00 175.26 173.07 1aa1 n ASN 95 N 6.43 -5.23 -3.79 -1.70 5.15 -1.26 -5.01 115.26 109.85 1aa1 n ASN 95 Ca 0.10 -1.04 -0.14 0.00 -0.60 0.00 0.00 54.58 52.90 1aa1 n ASN 95 Cb 0.47 -3.17 -0.15 0.00 -0.53 0.00 0.00 39.78 36.40 1aa1 n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1aa1 s GLN 96 N -6.11 0.01 0.11 1.20 0.74 -1.26 -3.99 119.66 110.35 1aa1 s GLN 96 Ca 0.47 0.20 0.04 0.00 0.05 0.00 0.00 55.36 56.12 1aa1 s GLN 96 Cb -0.18 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.73 1aa1 s GLN 96 CO 0.87 -0.13 -0.10 0.71 -0.55 0.00 0.00 175.29 176.10 1aa1 s TYR 97 N 0.83 1.10 -0.31 1.67 1.51 -0.13 -0.94 117.35 121.08 1aa1 s TYR 97 Ca -0.07 -0.68 -0.11 0.00 -1.01 0.00 0.00 57.07 55.20 1aa1 s TYR 97 Cb -0.09 -0.59 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1aa1 s TYR 97 CO -0.03 0.01 0.19 0.42 -1.11 0.00 0.00 175.55 175.03 1aa1 s ILE 98 N -2.63 4.96 -0.14 2.71 -1.09 0.18 0.16 121.20 125.35 1aa1 s ILE 98 Ca 0.08 -0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1aa1 s ILE 98 Cb -0.02 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1aa1 s ILE 98 CO -0.00 0.09 0.02 0.00 -1.23 0.00 0.00 174.94 173.81 1aa1 s TYR 100 N -0.07 3.31 -0.02 0.00 1.51 0.41 -0.77 117.35 121.73 1aa1 s TYR 100 Ca 0.04 0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.32 1aa1 s TYR 100 Cb -0.13 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 1aa1 s TYR 100 CO 0.02 0.19 -0.16 0.08 -1.11 0.00 0.00 175.55 174.57 1aa1 s VAL 101 N 0.44 1.27 -0.11 0.71 1.01 -0.11 -1.61 120.40 122.00 1aa1 s VAL 101 Ca 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1aa1 s VAL 101 Cb -0.12 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1aa1 s VAL 101 CO -0.00 0.36 -0.07 0.00 0.00 0.00 0.00 175.10 175.39 1aa1 s ALA 102 N -0.23 2.92 -0.11 5.51 0.00 0.06 -0.20 121.76 129.71 1aa1 s ALA 102 Ca 0.03 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1aa1 s ALA 102 Cb -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1aa1 s ALA 102 CO 0.00 0.37 -0.24 0.71 0.00 0.00 0.00 175.76 176.61 1aa1 s TYR 103 N -0.14 2.57 0.51 0.00 2.02 0.52 -1.40 117.35 121.44 1aa1 s TYR 103 Ca 0.02 -1.09 -0.22 0.00 -0.37 0.00 0.00 57.07 55.41 1aa1 s TYR 103 Cb -0.13 -1.72 -0.06 0.00 -0.40 0.00 0.00 41.96 39.65 1aa1 s TYR 103 CO 0.03 -0.45 1.22 -1.25 -1.57 0.00 0.00 175.55 173.53 1aa1 s PRO 104 N 0.41 3.43 0.35 -1.71 0.04 -1.26 -1.07 135.00 135.18 1aa1 s PRO 104 Ca -0.17 1.88 0.12 0.00 0.04 0.00 0.00 61.00 62.87 1aa1 s PRO 104 Cb -0.18 -2.25 0.92 0.00 0.04 0.00 0.00 34.50 33.04 1aa1 s PRO 104 CO 0.07 -0.85 1.77 1.25 0.04 0.00 0.00 177.00 179.28 1aa1 h LEU 105 N 1.62 0.62 -0.86 -3.56 5.85 -1.93 -2.30 115.31 114.76 1aa1 h LEU 105 Ca -0.50 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1aa1 h LEU 105 Cb 1.27 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1aa1 h LEU 105 CO 0.58 0.16 0.00 0.47 -0.34 0.00 0.00 178.44 179.31 1aa1 n ASP 106 N -4.74 0.40 0.14 1.25 8.00 -1.26 -2.69 116.55 117.65 1aa1 n ASP 106 Ca 0.25 0.66 0.13 0.00 0.71 0.00 0.00 54.79 56.54 1aa1 n ASP 106 Cb 0.73 -0.72 0.40 0.00 -0.02 0.00 0.00 41.12 41.50 1aa1 n ASP 106 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1aa1 h LEU 107 N 0.00 0.00 -9.37 0.64 3.38 -1.79 -3.46 115.31 104.71 1aa1 h LEU 107 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1aa1 h LEU 107 Cb 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.69 1aa1 h LEU 107 CO 0.00 0.00 -0.63 -0.36 0.09 0.00 0.00 178.44 177.54 1aa1 s PHE 108 N -3.18 3.11 0.06 1.13 0.40 -1.09 -5.04 117.98 113.36 1aa1 s PHE 108 Ca 0.09 0.12 -0.30 0.00 -0.60 0.00 0.00 56.93 56.24 1aa1 s PHE 108 Cb 0.10 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 1aa1 s PHE 108 CO 0.57 0.47 0.95 -2.00 0.70 0.00 0.00 175.22 175.91 1aa1 s GLU 109 N -1.42 4.63 0.29 0.44 2.12 -1.26 -4.98 118.70 118.51 1aa1 s GLU 109 Ca 0.18 1.41 -0.30 0.00 0.36 0.00 0.00 54.97 56.62 1aa1 s GLU 109 Cb -0.12 -3.41 -0.12 0.00 0.26 0.00 0.00 34.13 30.74 1aa1 s GLU 109 CO 0.09 0.11 1.58 0.39 -0.54 0.00 0.00 175.26 176.88 1aa1 n GLU 110 N 3.27 2.62 -0.97 4.30 4.71 -1.26 -2.51 120.64 130.79 1aa1 n GLU 110 Ca 0.03 0.93 0.00 0.00 -0.01 0.00 0.00 57.16 58.12 1aa1 n GLU 110 Cb 0.50 -2.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.23 1aa1 n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1aa1 n GLY 111 N 2.19 0.16 3.16 0.62 0.00 -1.23 -4.96 105.19 105.12 1aa1 n GLY 111 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1aa1 n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aa1 s SER 112 N -2.02 5.43 0.29 1.61 0.15 -1.04 -4.91 113.70 113.20 1aa1 s SER 112 Ca 0.00 -1.97 0.02 0.00 0.70 0.00 0.00 55.95 54.69 1aa1 s SER 112 Cb 0.00 -1.90 0.45 0.00 -1.71 0.00 0.00 66.02 62.86 1aa1 s SER 112 CO 0.00 -0.60 1.79 0.58 1.20 0.00 0.00 173.24 176.21 1aa1 h VAL 113 N 6.27 1.23 -0.54 4.45 2.07 -1.93 -1.88 116.25 125.93 1aa1 h VAL 113 Ca -0.16 -1.01 0.09 0.00 0.82 0.00 0.00 66.70 66.44 1aa1 h VAL 113 Cb 1.06 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1aa1 h VAL 113 CO 0.76 0.34 0.16 0.74 0.02 0.00 0.00 177.57 179.59 1aa1 h THR 114 N 0.56 0.76 -0.06 2.57 2.02 -1.91 -0.88 112.91 115.97 1aa1 h THR 114 Ca 0.11 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 67.00 1aa1 h THR 114 Cb 0.48 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1aa1 h THR 114 CO 0.03 0.06 -0.70 -1.13 0.37 0.00 0.00 175.52 174.14 1aa1 h ASN 115 N 0.32 0.37 -0.33 4.18 -0.73 -1.83 -2.13 115.58 115.43 1aa1 h ASN 115 Ca 0.27 -0.24 -0.00 0.00 1.87 0.00 0.00 56.30 58.20 1aa1 h ASN 115 Cb 0.34 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1aa1 h ASN 115 CO -0.30 0.96 0.19 -0.03 -0.37 0.00 0.00 177.43 177.87 1aa1 h MET 116 N 0.21 0.45 -0.44 6.67 4.05 -0.52 -1.91 114.93 123.45 1aa1 h MET 116 Ca -0.02 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.20 1aa1 h MET 116 Cb 1.26 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 1aa1 h MET 116 CO 0.11 0.36 -0.29 0.74 0.23 0.00 0.00 176.91 178.07 1aa1 h PHE 117 N 0.41 1.14 -0.62 1.39 0.04 -1.20 -2.72 116.94 115.39 1aa1 h PHE 117 Ca 0.12 -0.31 0.02 0.00 2.80 0.00 0.00 57.97 60.60 1aa1 h PHE 117 Cb 0.04 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.90 1aa1 h PHE 117 CO -0.03 1.14 0.40 1.15 -0.60 0.00 0.00 178.31 180.36 1aa1 h THR 118 N 0.82 1.11 -0.19 -1.55 2.02 -1.28 0.17 112.91 114.01 1aa1 h THR 118 Ca 0.09 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1aa1 h THR 118 Cb 0.88 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1aa1 h THR 118 CO 0.08 0.14 -0.09 0.28 0.37 0.00 0.00 175.52 176.30 1aa1 h SER 119 N 0.79 0.41 0.11 4.18 0.02 -1.32 -1.37 113.55 116.37 1aa1 h SER 119 Ca 0.24 -0.41 -0.20 0.00 -0.84 0.00 0.00 61.79 60.59 1aa1 h SER 119 Cb -0.02 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.42 1aa1 h SER 119 CO -0.08 0.73 -0.93 0.40 -1.14 0.00 0.00 176.83 175.80 1aa1 h ILE 120 N 0.09 1.37 -0.02 3.27 2.04 -1.43 -3.40 117.51 119.43 1aa1 h ILE 120 Ca 0.04 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1aa1 h ILE 120 Cb 0.57 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1aa1 h ILE 120 CO 0.03 0.68 0.00 0.52 0.00 0.00 0.00 178.15 179.38 1aa1 n VAL 121 N -4.13 0.01 0.37 1.67 0.31 0.58 -4.64 118.33 112.50 1aa1 n VAL 121 Ca -0.18 -0.51 0.14 0.00 -0.01 0.00 0.00 64.34 63.79 1aa1 n VAL 121 Cb 0.81 1.27 0.50 0.00 -0.91 0.00 0.00 33.84 35.51 1aa1 n VAL 121 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1aa1 h GLY 122 N 2.65 0.00 0.00 2.92 0.00 -0.93 -3.41 103.07 104.30 1aa1 h GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aa1 h GLY 122 CO 0.00 0.00 -0.46 -2.01 0.00 0.00 0.00 176.54 174.07 1aa1 n ASN 123 N -2.66 1.01 -0.31 0.19 5.15 -1.26 -4.92 115.26 112.45 1aa1 n ASN 123 Ca 0.02 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.13 1aa1 n ASN 123 Cb 0.33 0.00 0.35 0.00 -0.53 0.00 0.00 39.78 39.93 1aa1 n ASN 123 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1aa1 h VAL 124 N 0.00 0.78 0.00 3.44 -1.51 -1.80 -3.03 116.25 114.13 1aa1 h VAL 124 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1aa1 h VAL 124 Cb 0.46 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 1aa1 h VAL 124 CO 0.00 0.13 0.19 -0.26 -1.23 0.00 0.00 177.57 176.41 1aa1 h PHE 125 N 0.73 0.00 -0.57 5.19 -1.00 -1.91 0.25 116.94 119.63 1aa1 h PHE 125 Ca 0.51 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.29 1aa1 h PHE 125 Cb 0.82 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.38 1aa1 h PHE 125 CO -0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1aa1 n GLY 126 N -1.26 2.34 3.67 -1.45 0.00 -1.14 -4.84 105.19 102.51 1aa1 n GLY 126 Ca -0.01 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1aa1 n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aa1 s PHE 127 N -1.09 2.21 0.60 1.61 5.36 0.07 -4.89 117.98 121.85 1aa1 s PHE 127 Ca 0.40 0.27 0.30 0.00 -0.96 0.00 0.00 56.93 56.95 1aa1 s PHE 127 Cb 0.22 -3.93 1.84 0.00 -0.34 0.00 0.00 43.02 40.81 1aa1 s PHE 127 CO 0.29 -3.82 2.25 0.87 -1.46 0.00 0.00 175.22 173.34 1aa1 h LYS 128 N 8.92 0.00 0.00 10.12 1.79 -1.93 -1.66 116.57 133.81 1aa1 h LYS 128 Ca -0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1aa1 h LYS 128 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1aa1 h LYS 128 CO 0.94 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.31 1aa1 n ALA 129 N -2.31 1.97 -2.60 3.86 0.00 -1.26 -4.68 120.51 115.49 1aa1 n ALA 129 Ca -0.03 -0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 1aa1 n ALA 129 Cb 0.11 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 1aa1 n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1aa1 s LEU 130 N -2.81 3.20 0.02 0.00 1.43 -0.63 -1.23 118.68 118.66 1aa1 s LEU 130 Ca 0.14 -0.14 0.20 0.00 -1.03 0.00 0.00 54.13 53.30 1aa1 s LEU 130 Cb 0.13 -1.84 -0.19 0.00 0.03 0.00 0.00 46.19 44.32 1aa1 s LEU 130 CO 0.34 0.28 0.64 -2.11 0.23 0.00 0.00 176.35 175.73 1aa1 n ARG 131 N 1.50 0.64 -3.53 1.70 1.85 0.26 -4.75 116.66 114.34 1aa1 n ARG 131 Ca -0.15 0.02 -0.09 0.00 -1.00 0.00 0.00 57.85 56.63 1aa1 n ARG 131 Cb 0.53 -1.67 -0.02 0.00 -1.05 0.00 0.00 32.46 30.25 1aa1 n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1aa1 s ALA 132 N -3.17 -1.69 -0.25 2.89 0.00 -1.15 -5.05 121.76 113.35 1aa1 s ALA 132 Ca -0.05 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 1aa1 s ALA 132 Cb 0.10 0.63 0.07 0.00 0.00 0.00 0.00 23.12 23.92 1aa1 s ALA 132 CO 0.84 -0.78 0.65 -1.17 0.00 0.00 0.00 175.76 175.30 1aa1 s LEU 133 N -2.65 -0.63 -0.03 0.00 2.96 -1.10 -2.79 118.68 114.43 1aa1 s LEU 133 Ca 0.05 1.36 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 1aa1 s LEU 133 Cb -0.01 2.23 0.02 0.00 0.50 0.00 0.00 46.19 48.93 1aa1 s LEU 133 CO -0.08 -0.23 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.10 1aa1 s ARG 134 N 0.86 0.53 -0.27 1.98 3.52 -0.90 -1.25 118.95 123.42 1aa1 s ARG 134 Ca -0.04 -0.02 -0.22 0.00 -0.13 0.00 0.00 55.73 55.32 1aa1 s ARG 134 Cb -0.05 -0.62 -0.01 0.00 -1.56 0.00 0.00 34.95 32.71 1aa1 s ARG 134 CO -0.07 -0.09 0.72 -1.17 -0.81 0.00 0.00 175.30 173.88 1aa1 s LEU 135 N 0.89 4.08 -0.15 -0.88 2.96 -0.08 -0.30 118.68 125.21 1aa1 s LEU 135 Ca -0.10 0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1aa1 s LEU 135 Cb -0.13 -2.99 -0.24 0.00 0.50 0.00 0.00 46.19 43.33 1aa1 s LEU 135 CO -0.01 -0.49 0.25 -0.62 -1.32 0.00 0.00 176.35 174.16 1aa1 n GLU 136 N 5.94 0.72 -3.45 1.98 -0.58 -0.12 -0.87 120.64 124.27 1aa1 n GLU 136 Ca 0.02 0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1aa1 n GLU 136 Cb 0.48 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1aa1 n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1aa1 s ASP 137 N -6.74 -0.57 -0.01 1.62 -1.08 -1.21 -4.51 116.67 104.17 1aa1 s ASP 137 Ca -0.23 0.12 0.02 0.00 -0.52 0.00 0.00 52.55 51.94 1aa1 s ASP 137 Cb 0.07 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 1aa1 s ASP 137 CO 0.74 -0.90 -0.06 -0.76 0.52 0.00 0.00 175.17 174.71 1aa1 s LEU 138 N -2.46 1.87 -0.41 -1.34 1.43 -1.26 -1.54 118.68 114.98 1aa1 s LEU 138 Ca -0.01 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 1aa1 s LEU 138 Cb -0.01 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.89 1aa1 s LEU 138 CO -0.09 0.05 0.29 -0.60 0.23 0.00 0.00 176.35 176.23 1aa1 s ARG 139 N 0.06 2.94 -0.32 1.70 3.00 0.35 -4.94 118.95 121.74 1aa1 s ARG 139 Ca -0.00 -1.06 -0.21 0.00 -1.00 0.00 0.00 55.73 53.45 1aa1 s ARG 139 Cb -0.05 -3.95 -0.00 0.00 0.00 0.00 0.00 34.95 30.95 1aa1 s ARG 139 CO -0.00 -0.77 0.68 0.42 0.00 0.00 0.00 175.30 175.63 1aa1 s ILE 140 N 1.65 4.88 0.55 4.11 -1.09 -1.26 -2.58 121.20 127.45 1aa1 s ILE 140 Ca 0.04 0.87 -0.20 0.00 -2.23 0.00 0.00 60.65 59.13 1aa1 s ILE 140 Cb -0.19 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 1aa1 s ILE 140 CO 0.09 -0.23 1.21 -2.16 -1.23 0.00 0.00 174.94 172.62 1aa1 s PRO 141 N 2.75 3.21 0.52 2.79 0.04 -1.26 -4.70 135.00 138.36 1aa1 s PRO 141 Ca 0.27 1.84 0.19 0.00 0.04 0.00 0.00 61.00 63.34 1aa1 s PRO 141 Cb -0.14 -2.08 1.35 0.00 0.04 0.00 0.00 34.50 33.67 1aa1 s PRO 141 CO 0.13 -1.02 2.15 -0.39 0.04 0.00 0.00 177.00 177.91 1aa1 h VAL 142 N 1.20 0.91 0.00 -0.36 -1.51 -1.85 -1.30 116.25 113.34 1aa1 h VAL 142 Ca -0.50 -0.11 -0.06 0.00 -1.23 0.00 0.00 66.70 64.79 1aa1 h VAL 142 Cb 1.28 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 1aa1 h VAL 142 CO 0.57 0.03 -0.29 0.00 -1.23 0.00 0.00 177.57 176.65 1aa1 h ALA 143 N 1.97 1.46 0.10 5.19 0.00 -1.91 -1.78 119.26 124.28 1aa1 h ALA 143 Ca -0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.34 1aa1 h ALA 143 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aa1 h ALA 143 CO 0.00 0.36 -1.56 -0.92 0.00 0.00 0.00 179.25 177.13 1aa1 h TYR 144 N 0.00 0.38 -0.98 0.00 3.20 -1.66 -3.32 116.97 114.59 1aa1 h TYR 144 Ca -0.00 -0.28 0.05 0.00 3.14 0.00 0.00 58.73 61.65 1aa1 h TYR 144 Cb 0.53 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 1aa1 h TYR 144 CO 0.00 1.35 0.64 0.28 -1.64 0.00 0.00 178.16 178.79 1aa1 h VAL 145 N 0.06 1.12 0.00 1.81 2.07 -0.91 -1.76 116.25 118.63 1aa1 h VAL 145 Ca -0.25 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1aa1 h VAL 145 Cb 2.00 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1aa1 h VAL 145 CO 0.14 0.22 0.00 0.29 0.02 0.00 0.00 177.57 178.24 1aa1 n LYS 146 N -4.47 0.14 0.00 1.57 4.76 -0.70 -2.23 118.16 117.23 1aa1 n LYS 146 Ca 0.14 0.19 0.13 0.00 -2.87 0.00 0.00 58.31 55.90 1aa1 n LYS 146 Cb 0.15 -1.50 0.36 0.00 -1.84 0.00 0.00 35.03 32.20 1aa1 n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1aa1 n THR 147 N -1.32 0.00 -4.15 -0.18 -2.24 -0.66 -4.91 114.28 100.82 1aa1 n THR 147 Ca 0.05 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.35 1aa1 n THR 147 Cb 0.10 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 1aa1 n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1aa1 s PHE 148 N -2.28 2.98 0.09 4.78 0.40 -0.95 -3.56 117.98 119.44 1aa1 s PHE 148 Ca 0.29 -0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.45 1aa1 s PHE 148 Cb 0.20 -1.44 -0.20 0.00 0.51 0.00 0.00 43.02 42.08 1aa1 s PHE 148 CO 0.44 0.52 1.20 0.37 0.70 0.00 0.00 175.22 178.45 1aa1 h GLN 149 N 2.62 0.46 0.00 0.44 4.15 -1.87 -3.50 115.11 117.40 1aa1 h GLN 149 Ca -0.47 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.36 1aa1 h GLN 149 Cb 1.20 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1aa1 h GLN 149 CO 0.60 1.23 0.00 0.41 -1.93 0.00 0.00 178.83 179.14 1aa1 n GLY 150 N 1.22 -1.74 3.69 2.39 0.00 -1.02 -4.87 105.19 104.86 1aa1 n GLY 150 Ca -0.09 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1aa1 n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aa1 n PRO 151 N 0.00 2.00 -0.11 1.61 -0.02 -1.23 -4.16 135.00 133.09 1aa1 n PRO 151 Ca 0.00 0.71 0.04 0.00 -2.02 0.00 0.00 63.50 62.22 1aa1 n PRO 151 Cb 0.00 -2.30 0.36 0.00 -0.02 0.00 0.00 33.50 31.54 1aa1 n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1aa1 h PRO 152 N 2.36 0.72 0.00 0.52 0.11 -1.83 -3.41 132.00 130.48 1aa1 h PRO 152 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1aa1 h PRO 152 Cb 1.29 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1aa1 h PRO 152 CO 0.62 0.48 0.00 0.72 -0.21 0.00 0.00 178.00 179.60 1aa1 n HIS 153 N -4.46 -1.26 0.00 0.65 8.25 -1.26 -4.71 115.22 112.43 1aa1 n HIS 153 Ca 0.07 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1aa1 n HIS 153 Cb 0.10 0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1aa1 n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aa1 n GLY 154 N 2.54 1.00 0.39 -1.41 0.00 -1.26 -4.46 105.19 101.98 1aa1 n GLY 154 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1aa1 n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1aa1 h ILE 155 N 0.00 0.11 -0.23 -0.61 2.04 -1.71 -1.24 117.51 115.87 1aa1 h ILE 155 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1aa1 h ILE 155 Cb 0.00 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1aa1 h ILE 155 CO 0.00 0.00 0.12 1.56 0.00 0.00 0.00 178.15 179.83 1aa1 h GLN 156 N -0.26 0.32 -0.59 2.37 7.50 -1.89 -1.94 115.11 120.62 1aa1 h GLN 156 Ca 0.17 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.23 1aa1 h GLN 156 Cb 0.57 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.01 1aa1 h GLN 156 CO -0.64 0.31 0.19 0.28 -1.50 0.00 0.00 178.83 177.47 1aa1 h VAL 157 N 0.25 1.24 -0.41 -0.54 2.07 -1.73 -1.68 116.25 115.45 1aa1 h VAL 157 Ca 0.08 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1aa1 h VAL 157 Cb 0.09 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1aa1 h VAL 157 CO -0.01 0.31 0.25 -0.08 0.02 0.00 0.00 177.57 178.05 1aa1 h GLU 158 N 0.84 0.49 -0.90 1.57 4.81 -1.09 0.11 114.58 120.40 1aa1 h GLU 158 Ca 0.19 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1aa1 h GLU 158 Cb 0.27 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1aa1 h GLU 158 CO -0.01 0.32 0.52 0.00 -0.73 0.00 0.00 179.01 179.12 1aa1 h ARG 159 N 0.51 1.24 -0.56 1.92 3.08 -1.09 -0.83 114.38 118.64 1aa1 h ARG 159 Ca 0.16 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1aa1 h ARG 159 Cb -0.01 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 1aa1 h ARG 159 CO -0.06 0.89 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.21 1aa1 h ASP 160 N 1.25 1.03 -0.24 7.04 3.32 -0.64 0.35 116.42 128.53 1aa1 h ASP 160 Ca 0.32 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1aa1 h ASP 160 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1aa1 h ASP 160 CO -0.06 1.12 -0.01 0.11 -1.72 0.00 0.00 179.24 178.68 1aa1 h LYS 161 N 0.93 0.43 0.00 3.56 1.79 -0.44 -3.15 116.57 119.69 1aa1 h LYS 161 Ca 0.15 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1aa1 h LYS 161 Cb 0.64 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1aa1 h LYS 161 CO 0.04 0.62 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.74 1aa1 h LEU 162 N 0.20 0.00 -1.32 2.94 3.38 -1.13 -3.48 115.31 115.91 1aa1 h LEU 162 Ca 0.07 -0.07 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1aa1 h LEU 162 Cb 0.43 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.32 1aa1 h LEU 162 CO 0.01 0.03 -0.64 -3.20 0.09 0.00 0.00 178.44 174.74 1aa1 n ASN 163 N -2.27 -3.78 -4.08 -0.43 4.05 0.12 -4.67 115.26 104.20 1aa1 n ASN 163 Ca 0.05 -0.51 -0.31 0.00 0.45 0.00 0.00 54.58 54.26 1aa1 n ASN 163 Cb 0.44 -4.50 -0.16 0.00 1.23 0.00 0.00 39.78 36.79 1aa1 n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1aa1 s LYS 164 N -5.63 2.62 0.08 1.20 1.02 -0.92 -5.04 119.74 113.08 1aa1 s LYS 164 Ca 0.24 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.56 1aa1 s LYS 164 Cb -0.10 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1aa1 s LYS 164 CO 0.64 -0.18 -0.08 0.71 -0.92 0.00 0.00 175.35 175.52 1aa1 s TYR 165 N 1.28 0.90 -1.25 3.18 2.02 -1.26 -4.75 117.35 117.46 1aa1 s TYR 165 Ca 0.02 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1aa1 s TYR 165 Cb -0.13 -0.51 0.00 0.00 -0.40 0.00 0.00 41.96 40.92 1aa1 s TYR 165 CO -0.09 -0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 1aa1 n GLY 166 N 0.57 0.89 3.53 0.71 0.00 -1.26 -5.00 105.19 104.63 1aa1 n GLY 166 Ca -0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1aa1 n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1aa1 s ARG 167 N -3.54 0.72 0.65 1.61 1.70 -1.26 -4.99 118.95 113.84 1aa1 s ARG 167 Ca 0.00 -0.13 -0.16 0.00 -0.47 0.00 0.00 55.73 54.97 1aa1 s ARG 167 Cb 0.00 0.33 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1aa1 s ARG 167 CO 0.00 -0.29 1.16 -2.14 -1.08 0.00 0.00 175.30 172.95 1aa1 s PRO 168 N -2.38 2.70 0.44 3.89 0.02 -1.17 -4.75 135.00 133.75 1aa1 s PRO 168 Ca 0.03 1.61 -0.08 0.00 0.02 0.00 0.00 61.00 62.58 1aa1 s PRO 168 Cb -0.01 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 1aa1 s PRO 168 CO -0.05 -1.37 0.78 -0.51 -0.33 0.00 0.00 177.00 175.52 1aa1 s LEU 169 N -4.67 3.73 -0.04 -5.54 1.43 -0.11 -4.93 118.68 108.55 1aa1 s LEU 169 Ca 0.72 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 1aa1 s LEU 169 Cb -0.25 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.00 1aa1 s LEU 169 CO 0.39 -0.49 -0.21 -0.76 0.23 0.00 0.00 176.35 175.51 1aa1 s LEU 170 N -4.27 2.01 0.30 1.79 1.43 -1.26 -0.70 118.68 117.97 1aa1 s LEU 170 Ca 0.49 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1aa1 s LEU 170 Cb -0.10 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1aa1 s LEU 170 CO 0.38 0.22 0.14 -0.83 0.23 0.00 0.00 176.35 176.49 1aa1 s GLY 171 N -0.21 2.00 -0.18 -3.19 0.00 -0.05 -1.31 107.32 104.37 1aa1 s GLY 171 Ca 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 44.72 42.86 1aa1 s GLY 171 CO 0.02 -1.60 0.43 0.00 0.00 0.00 0.00 173.10 171.95 1aa1 s THR 173 N 1.49 5.05 0.04 0.00 2.01 -1.26 -4.26 115.64 118.72 1aa1 s THR 173 Ca -0.09 1.42 -0.30 0.00 0.31 0.00 0.00 61.69 63.03 1aa1 s THR 173 Cb -0.08 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1aa1 s THR 173 CO -0.13 0.26 1.05 -0.63 -0.69 0.00 0.00 174.62 174.47 1aa1 s ILE 174 N 0.79 4.50 0.07 1.82 -1.09 -1.26 -4.54 121.20 121.49 1aa1 s ILE 174 Ca 0.37 1.85 0.02 0.00 -2.23 0.00 0.00 60.65 60.66 1aa1 s ILE 174 Cb -0.18 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1aa1 s ILE 174 CO 0.18 0.17 -0.07 -1.59 -1.23 0.00 0.00 174.94 172.40 1aa1 s LYS 175 N 0.80 0.66 0.59 2.79 -2.85 -1.26 -4.15 119.74 116.32 1aa1 s LYS 175 Ca 0.53 -1.03 -0.19 0.00 -1.00 0.00 0.00 55.97 54.28 1aa1 s LYS 175 Cb -0.24 -0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.29 1aa1 s LYS 175 CO 0.29 0.01 1.24 -1.25 0.10 0.00 0.00 175.35 175.73 1aa1 s PRO 176 N -2.69 2.94 0.18 1.78 0.04 -1.26 -5.08 135.00 130.90 1aa1 s PRO 176 Ca 0.00 1.91 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 1aa1 s PRO 176 Cb -0.02 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.63 1aa1 s PRO 176 CO -0.03 -1.26 1.67 1.57 0.04 0.00 0.00 177.00 179.00 1aa1 h LYS 177 N 0.92 1.02 -6.26 4.56 2.10 -2.00 -3.43 116.57 113.49 1aa1 h LYS 177 Ca -0.51 -0.28 -0.66 0.00 -2.00 0.00 0.00 60.65 57.20 1aa1 h LYS 177 Cb 1.30 -0.12 -0.30 0.00 -0.90 0.00 0.00 32.23 32.22 1aa1 h LYS 177 CO 0.55 0.96 -0.88 -0.51 -2.00 0.00 0.00 179.45 177.57 1aa1 s LEU 178 N -9.48 2.04 0.00 7.07 1.43 -1.26 -4.80 118.68 113.69 1aa1 s LEU 178 Ca -0.12 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1aa1 s LEU 178 Cb 0.13 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1aa1 s LEU 178 CO 0.84 0.28 0.00 0.61 0.23 0.00 0.00 176.35 178.30 1aa1 n GLY 179 N 2.61 2.10 3.81 -3.19 0.00 -1.26 -5.11 105.19 104.15 1aa1 n GLY 179 Ca -0.16 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1aa1 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aa1 s LEU 180 N 0.00 3.85 0.56 0.99 1.43 -1.26 -5.04 118.68 119.21 1aa1 s LEU 180 Ca 0.00 1.79 -0.15 0.00 -1.03 0.00 0.00 54.13 54.75 1aa1 s LEU 180 Cb 0.00 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 1aa1 s LEU 180 CO 0.00 -0.61 1.01 -0.94 0.23 0.00 0.00 176.35 176.04 1aa1 s SER 181 N -2.19 6.36 0.30 2.29 1.04 -1.26 -4.71 113.70 115.53 1aa1 s SER 181 Ca 0.64 1.55 0.05 0.00 0.48 0.00 0.00 55.95 58.67 1aa1 s SER 181 Cb -0.13 -2.50 0.71 0.00 0.10 0.00 0.00 66.02 64.20 1aa1 s SER 181 CO 0.19 -0.77 1.78 0.00 0.98 0.00 0.00 173.24 175.42 1aa1 h ALA 182 N 0.42 1.63 -0.33 5.32 0.00 -1.93 0.74 119.26 125.11 1aa1 h ALA 182 Ca -0.46 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1aa1 h ALA 182 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1aa1 h ALA 182 CO 0.61 -0.01 -0.22 -0.22 0.00 0.00 0.00 179.25 179.41 1aa1 h LYS 183 N 0.79 0.74 -0.07 0.00 3.64 -1.92 -1.28 116.57 118.48 1aa1 h LYS 183 Ca 0.57 -0.35 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1aa1 h LYS 183 Cb 0.83 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1aa1 h LYS 183 CO -0.37 0.97 -0.22 -0.91 -2.27 0.00 0.00 179.45 176.65 1aa1 h ASN 184 N 0.51 0.11 -0.08 4.20 -0.26 -1.65 -0.21 115.58 118.20 1aa1 h ASN 184 Ca 0.07 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1aa1 h ASN 184 Cb 0.78 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1aa1 h ASN 184 CO 0.06 0.34 0.00 0.22 -1.06 0.00 0.00 177.43 177.00 1aa1 h TYR 185 N 0.11 0.16 -0.56 1.19 3.20 -0.70 -2.43 116.97 117.94 1aa1 h TYR 185 Ca 0.02 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1aa1 h TYR 185 Cb 0.46 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1aa1 h TYR 185 CO 0.00 0.39 0.29 0.78 -1.64 0.00 0.00 178.16 177.99 1aa1 h GLY 186 N -0.13 0.82 0.93 1.82 0.00 -0.61 -1.91 103.07 104.00 1aa1 h GLY 186 Ca 0.02 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1aa1 h GLY 186 CO 0.00 0.35 0.29 -0.09 0.00 0.00 0.00 176.54 177.10 1aa1 h ARG 187 N 0.78 0.58 -0.69 4.80 2.43 -0.85 -0.97 114.38 120.44 1aa1 h ARG 187 Ca 0.20 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1aa1 h ARG 187 Cb 0.05 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1aa1 h ARG 187 CO -0.03 0.38 0.33 0.00 -1.51 0.00 0.00 179.97 179.14 1aa1 h ALA 188 N 1.20 1.27 -0.02 2.80 0.00 -0.93 -2.35 119.26 121.24 1aa1 h ALA 188 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1aa1 h ALA 188 Cb -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1aa1 h ALA 188 CO -0.07 0.56 0.01 0.28 0.00 0.00 0.00 179.25 180.03 1aa1 h VAL 189 N 0.98 1.02 -0.33 0.00 2.07 -0.66 -1.74 116.25 117.60 1aa1 h VAL 189 Ca 0.24 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1aa1 h VAL 189 Cb 0.11 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1aa1 h VAL 189 CO -0.03 0.02 0.20 0.22 0.02 0.00 0.00 177.57 178.00 1aa1 h TYR 190 N -0.00 0.43 -0.37 1.57 3.20 -1.02 -1.97 116.97 118.81 1aa1 h TYR 190 Ca 0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1aa1 h TYR 190 Cb 0.02 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1aa1 h TYR 190 CO -0.07 0.32 0.07 0.93 -1.64 0.00 0.00 178.16 177.77 1aa1 h GLU 191 N 0.42 0.56 0.17 1.82 4.39 -1.33 -1.93 114.58 118.67 1aa1 h GLU 191 Ca 0.12 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1aa1 h GLU 191 Cb 0.02 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1aa1 h GLU 191 CO -0.02 0.54 -0.08 0.00 -1.16 0.00 0.00 179.01 178.28 1aa1 h LEU 193 N -0.65 0.95 -2.12 0.00 3.38 -1.26 -2.80 115.31 112.81 1aa1 h LEU 193 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1aa1 h LEU 193 Cb 0.48 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1aa1 h LEU 193 CO 0.04 0.77 0.00 0.08 0.09 0.00 0.00 178.44 179.42 1aa1 h ARG 194 N 1.06 0.00 -0.00 1.13 0.11 -1.46 -2.03 114.38 113.19 1aa1 h ARG 194 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1aa1 h ARG 194 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1aa1 h ARG 194 CO -0.04 0.00 -0.12 0.41 0.10 0.00 0.00 179.97 180.31 1aa1 n GLY 195 N -0.71 -1.23 0.00 0.08 0.00 -1.05 -4.88 105.19 97.39 1aa1 n GLY 195 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1aa1 n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aa1 n GLY 196 N 1.39 0.74 3.83 -0.02 0.00 -0.77 -2.53 105.19 107.83 1aa1 n GLY 196 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1aa1 n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aa1 s LEU 197 N 0.00 3.76 -0.07 0.99 1.43 -1.23 -4.84 118.68 118.72 1aa1 s LEU 197 Ca 0.00 1.65 -0.05 0.00 -1.03 0.00 0.00 54.13 54.70 1aa1 s LEU 197 Cb 0.00 -4.53 -0.27 0.00 0.03 0.00 0.00 46.19 41.42 1aa1 s LEU 197 CO 0.00 -0.53 0.57 0.44 0.23 0.00 0.00 176.35 177.07 1aa1 h ASP 198 N 1.34 0.42 -4.48 2.29 3.32 -1.52 -3.43 116.42 114.36 1aa1 h ASP 198 Ca -0.48 -0.77 -0.29 0.00 0.02 0.00 0.00 57.03 55.51 1aa1 h ASP 198 Cb 1.19 -0.14 -0.18 0.00 0.22 0.00 0.00 39.33 40.42 1aa1 h ASP 198 CO 0.61 1.67 -0.73 -0.36 -1.72 0.00 0.00 179.24 178.71 1aa1 s PHE 199 N -2.58 0.97 0.00 4.55 0.08 -0.59 -1.74 117.98 118.67 1aa1 s PHE 199 Ca -0.16 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.21 1aa1 s PHE 199 Cb 0.06 -0.54 0.00 0.00 -0.57 0.00 0.00 43.02 41.97 1aa1 s PHE 199 CO 0.82 -0.04 0.00 0.25 -0.10 0.00 0.00 175.22 176.14 1aa1 n THR 200 N 0.58 0.00 -5.09 0.64 -2.24 -0.97 -1.65 114.28 105.55 1aa1 n THR 200 Ca -0.16 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 1aa1 n THR 200 Cb 0.58 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.65 1aa1 n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1aa1 s ASP 202 N -0.32 2.64 0.70 3.42 1.01 -1.04 -1.48 116.67 121.61 1aa1 s ASP 202 Ca 0.00 -0.42 -0.14 0.00 0.71 0.00 0.00 52.55 52.70 1aa1 s ASP 202 Cb 0.00 -0.48 0.02 0.00 1.01 0.00 0.00 42.92 43.48 1aa1 s ASP 202 CO 0.00 0.25 1.14 -0.62 0.21 0.00 0.00 175.17 176.15 1aa1 s ASP 203 N -0.33 4.64 0.54 0.27 2.15 -1.26 -4.89 116.67 117.79 1aa1 s ASP 203 Ca 0.03 2.12 0.20 0.00 0.43 0.00 0.00 52.55 55.33 1aa1 s ASP 203 Cb -0.10 -2.56 1.42 0.00 -0.30 0.00 0.00 42.92 41.37 1aa1 s ASP 203 CO 0.01 -1.95 2.16 1.05 -0.17 0.00 0.00 175.17 176.27 1aa1 h GLU 204 N -0.26 0.00 0.00 4.34 9.09 -2.00 -1.35 114.58 124.40 1aa1 h GLU 204 Ca -0.47 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 58.88 1aa1 h GLU 204 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 1aa1 h GLU 204 CO 0.52 0.00 -0.30 -0.91 0.05 0.00 0.00 179.01 178.37 1aa1 h ASN 205 N 0.00 0.00 -2.45 3.06 2.35 -1.98 -3.43 115.58 113.13 1aa1 h ASN 205 Ca 0.02 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.24 1aa1 h ASN 205 Cb 0.10 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 1aa1 h ASN 205 CO -0.00 0.30 1.13 -0.69 -1.65 0.00 0.00 177.43 176.52 1aa1 s VAL 206 N -3.25 3.67 0.00 2.81 1.01 -0.51 -4.77 120.40 119.36 1aa1 s VAL 206 Ca 0.03 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1aa1 s VAL 206 Cb 0.08 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1aa1 s VAL 206 CO 0.69 -1.44 0.00 0.59 0.00 0.00 0.00 175.10 174.94 1aa1 n ASN 207 N 10.11 0.00 -3.48 3.32 5.03 -1.26 -4.70 115.26 124.29 1aa1 n ASN 207 Ca 0.10 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.49 1aa1 n ASN 207 Cb 0.50 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.19 1aa1 n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1aa1 s SER 208 N 0.97 -0.36 0.20 6.41 0.15 -1.26 -4.11 113.70 115.71 1aa1 s SER 208 Ca 0.00 0.78 0.01 0.00 0.70 0.00 0.00 55.95 57.44 1aa1 s SER 208 Cb 0.00 1.50 -0.05 0.00 -1.71 0.00 0.00 66.02 65.77 1aa1 s SER 208 CO 0.00 -0.26 0.06 -1.10 1.20 0.00 0.00 173.24 173.14 1aa1 s GLN 209 N 2.66 1.21 0.23 5.44 1.11 -0.87 -4.91 119.66 124.52 1aa1 s GLN 209 Ca 0.06 -1.62 -0.17 0.00 0.01 0.00 0.00 55.36 53.64 1aa1 s GLN 209 Cb -0.14 -0.11 0.24 0.00 -1.01 0.00 0.00 33.01 31.99 1aa1 s GLN 209 CO -0.16 -0.25 1.56 -1.35 0.01 0.00 0.00 175.29 175.10 1aa1 h PRO 210 N 2.60 -0.01 -0.00 2.91 0.11 -2.02 -1.31 132.00 134.27 1aa1 h PRO 210 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1aa1 h PRO 210 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1aa1 h PRO 210 CO 0.60 -0.01 -0.03 0.34 -0.21 0.00 0.00 178.00 178.69 1aa1 n PHE 211 N -5.48 0.00 -3.27 0.65 7.35 -1.26 -4.57 117.46 110.88 1aa1 n PHE 211 Ca 0.10 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.72 1aa1 n PHE 211 Cb 0.40 -0.43 -0.05 0.00 0.35 0.00 0.00 39.48 39.75 1aa1 n PHE 211 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1aa1 s MET 212 N -2.89 0.51 0.46 -4.13 1.75 -0.50 -4.47 119.30 110.01 1aa1 s MET 212 Ca 0.17 0.04 -0.22 0.00 -1.25 0.00 0.00 55.69 54.44 1aa1 s MET 212 Cb 0.19 -0.22 -0.09 0.00 2.84 0.00 0.00 34.83 37.56 1aa1 s MET 212 CO 0.52 -1.07 1.04 1.03 -0.65 0.00 0.00 175.02 175.89 1aa1 s ARG 213 N 2.39 3.93 0.18 4.11 1.81 -1.19 -2.06 118.95 128.12 1aa1 s ARG 213 Ca 0.11 1.41 -0.13 0.00 -1.72 0.00 0.00 55.73 55.41 1aa1 s ARG 213 Cb -0.11 -2.25 0.17 0.00 -0.45 0.00 0.00 34.95 32.31 1aa1 s ARG 213 CO -0.24 -0.33 1.75 0.11 -0.68 0.00 0.00 175.30 175.91 1aa1 h TRP 214 N 1.88 0.32 -0.91 -0.53 5.08 -1.89 -2.76 115.95 117.15 1aa1 h TRP 214 Ca -0.49 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.50 1aa1 h TRP 214 Cb 1.22 -0.07 -0.04 0.00 -3.00 0.00 0.00 29.16 27.26 1aa1 h TRP 214 CO 0.57 0.11 0.55 -0.09 -1.28 0.00 0.00 178.44 178.30 1aa1 h ARG 215 N 0.36 1.23 -0.76 0.12 2.43 -1.93 -0.66 114.38 115.17 1aa1 h ARG 215 Ca 0.24 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1aa1 h ARG 215 Cb 0.25 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1aa1 h ARG 215 CO -0.24 0.86 0.34 -0.44 -1.51 0.00 0.00 179.97 178.98 1aa1 h ASP 216 N 1.25 1.02 -0.21 -3.80 3.32 -1.93 -1.66 116.42 114.41 1aa1 h ASP 216 Ca 0.32 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1aa1 h ASP 216 Cb -0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1aa1 h ASP 216 CO -0.06 0.89 0.07 -0.09 -1.72 0.00 0.00 179.24 178.33 1aa1 h ARG 217 N 1.09 0.33 -0.34 3.56 2.43 -1.07 -2.00 114.38 118.38 1aa1 h ARG 217 Ca 0.26 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1aa1 h ARG 217 Cb 0.16 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1aa1 h ARG 217 CO -0.03 0.42 0.10 0.74 -1.51 0.00 0.00 179.97 179.69 1aa1 h PHE 218 N 0.18 0.18 -0.16 2.20 -1.00 -0.97 -0.70 116.94 116.66 1aa1 h PHE 218 Ca 0.07 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 1aa1 h PHE 218 Cb 0.22 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1aa1 h PHE 218 CO 0.00 0.06 0.10 1.25 -1.61 0.00 0.00 178.31 178.11 1aa1 h LEU 219 N 0.23 0.19 -0.42 1.54 6.46 -1.22 -0.54 115.31 121.56 1aa1 h LEU 219 Ca 0.16 -0.04 -0.17 0.00 -0.12 0.00 0.00 57.88 57.70 1aa1 h LEU 219 Cb 0.15 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1aa1 h LEU 219 CO -0.18 0.18 -0.58 -0.26 -0.62 0.00 0.00 178.44 176.98 1aa1 h PHE 220 N 0.19 0.82 -0.51 1.25 0.04 -1.26 -2.44 116.94 115.03 1aa1 h PHE 220 Ca 0.06 -0.30 -0.04 0.00 2.80 0.00 0.00 57.97 60.49 1aa1 h PHE 220 Cb 0.02 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1aa1 h PHE 220 CO -0.05 1.07 0.17 0.00 -0.60 0.00 0.00 178.31 178.90 1aa1 h ALA 222 N 1.46 0.42 -0.65 0.00 0.00 -0.94 -0.16 119.26 119.39 1aa1 h ALA 222 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1aa1 h ALA 222 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1aa1 h ALA 222 CO -0.01 0.07 0.41 1.49 0.00 0.00 0.00 179.25 181.22 1aa1 h GLU 223 N 0.36 0.87 -0.00 0.00 4.81 -0.93 -1.88 114.58 117.81 1aa1 h GLU 223 Ca 0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1aa1 h GLU 223 Cb 0.27 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1aa1 h GLU 223 CO -0.00 0.59 0.00 0.00 -0.73 0.00 0.00 179.01 178.87 1aa1 h ALA 224 N 1.22 0.00 -0.29 2.92 0.00 -0.94 -2.19 119.26 119.98 1aa1 h ALA 224 Ca 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1aa1 h ALA 224 Cb -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1aa1 h ALA 224 CO -0.05 -0.43 -0.11 1.37 0.00 0.00 0.00 179.25 180.03 1aa1 h LEU 225 N -0.13 0.46 -0.64 0.00 8.10 -0.94 -1.59 115.31 120.57 1aa1 h LEU 225 Ca 0.00 -0.11 -0.14 0.00 0.11 0.00 0.00 57.88 57.73 1aa1 h LEU 225 Cb 0.14 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.22 1aa1 h LEU 225 CO -0.00 0.61 -0.51 1.88 -4.11 0.00 0.00 178.44 176.31 1aa1 h TYR 226 N 0.45 0.54 -0.31 0.17 0.05 -1.30 -1.42 116.97 115.15 1aa1 h TYR 226 Ca 0.09 -0.18 -0.09 0.00 0.05 0.00 0.00 58.73 58.59 1aa1 h TYR 226 Cb 0.47 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1aa1 h TYR 226 CO 0.01 0.86 -0.16 -0.22 -1.05 0.00 0.00 178.16 177.60 1aa1 h LYS 227 N 0.35 0.65 -0.58 4.88 3.64 -1.08 -1.25 116.57 123.18 1aa1 h LYS 227 Ca 0.01 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 1aa1 h LYS 227 Cb 1.02 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1aa1 h LYS 227 CO 0.09 0.88 0.19 0.00 -2.27 0.00 0.00 179.45 178.35 1aa1 h ALA 228 N 0.76 0.75 -0.66 5.00 0.00 -1.23 -0.96 119.26 122.92 1aa1 h ALA 228 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1aa1 h ALA 228 Cb 0.69 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1aa1 h ALA 228 CO 0.05 0.41 0.23 0.37 0.00 0.00 0.00 179.25 180.31 1aa1 h GLN 229 N 0.81 1.01 -0.64 0.00 4.15 -1.21 -1.33 115.11 117.89 1aa1 h GLN 229 Ca 0.19 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 1aa1 h GLN 229 Cb 0.26 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1aa1 h GLN 229 CO -0.01 0.86 0.10 0.00 -1.93 0.00 0.00 178.83 177.85 1aa1 h ALA 230 N 1.10 0.86 0.09 3.38 0.00 -0.98 0.89 119.26 124.59 1aa1 h ALA 230 Ca 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1aa1 h ALA 230 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1aa1 h ALA 230 CO -0.01 0.62 -0.04 1.49 0.00 0.00 0.00 179.25 181.31 1aa1 h GLU 231 N 0.99 -0.12 0.00 0.00 4.81 -0.88 -3.34 114.58 116.05 1aa1 h GLU 231 Ca 0.19 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.23 1aa1 h GLU 231 Cb 0.45 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1aa1 h GLU 231 CO 0.01 0.14 -1.22 1.79 -0.73 0.00 0.00 179.01 179.01 1aa1 h THR 232 N -0.37 0.98 0.00 0.32 1.35 -1.27 -3.48 112.91 110.44 1aa1 h THR 232 Ca -0.01 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1aa1 h THR 232 Cb 0.32 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1aa1 h THR 232 CO 0.02 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1aa1 n GLY 233 N 1.40 0.82 3.72 5.82 0.00 0.30 -5.04 105.19 112.21 1aa1 n GLY 233 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1aa1 n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aa1 s GLU 234 N -0.40 2.97 0.27 1.61 2.02 -1.25 -5.04 118.70 118.89 1aa1 s GLU 234 Ca 0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 54.22 1aa1 s GLU 234 Cb 0.00 -2.80 -0.10 0.00 0.10 0.00 0.00 34.13 31.33 1aa1 s GLU 234 CO 0.00 0.67 1.43 0.42 0.02 0.00 0.00 175.26 177.80 1aa1 s ILE 235 N -1.03 2.58 0.18 -1.63 1.01 -1.26 -4.50 121.20 116.54 1aa1 s ILE 235 Ca 0.18 0.51 0.08 0.00 0.00 0.00 0.00 60.65 61.42 1aa1 s ILE 235 Cb -0.12 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1aa1 s ILE 235 CO 0.08 0.09 -0.17 -0.54 0.00 0.00 0.00 174.94 174.40 1aa1 s LYS 236 N -0.70 1.28 0.11 2.79 -0.14 -1.26 -4.89 119.74 116.92 1aa1 s LYS 236 Ca 0.58 -1.45 -0.10 0.00 -1.36 0.00 0.00 55.97 53.63 1aa1 s LYS 236 Cb -0.42 -1.24 0.00 0.00 -1.68 0.00 0.00 37.83 34.49 1aa1 s LYS 236 CO 0.46 0.24 0.24 0.20 -0.76 0.00 0.00 175.35 175.73 1aa1 s GLY 237 N -2.86 0.09 -0.04 -3.33 0.00 -0.71 -4.79 107.32 95.69 1aa1 s GLY 237 Ca 0.17 -0.57 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 1aa1 s GLY 237 CO 0.07 -0.73 0.05 -1.58 0.00 0.00 0.00 173.10 170.90 1aa1 s HIS 238 N -3.87 0.12 -0.62 1.90 2.46 -1.26 -2.28 115.29 111.74 1aa1 s HIS 238 Ca 0.06 0.19 -0.26 0.00 0.47 0.00 0.00 55.06 55.53 1aa1 s HIS 238 Cb 0.04 -0.48 -0.03 0.00 -0.13 0.00 0.00 32.58 31.98 1aa1 s HIS 238 CO -0.09 -0.19 1.92 0.71 -2.47 0.00 0.00 174.74 174.62 1aa1 s TYR 239 N 1.97 1.61 -0.39 3.88 2.02 -0.55 -4.62 117.35 121.28 1aa1 s TYR 239 Ca 0.03 0.86 -0.27 0.00 -0.37 0.00 0.00 57.07 57.31 1aa1 s TYR 239 Cb -0.12 -4.03 0.02 0.00 -0.40 0.00 0.00 41.96 37.42 1aa1 s TYR 239 CO -0.03 -2.29 1.01 -0.51 -1.57 0.00 0.00 175.55 172.16 1aa1 s LEU 240 N 9.49 3.90 -0.19 -1.29 1.43 -1.20 -2.49 118.68 128.34 1aa1 s LEU 240 Ca 0.70 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 1aa1 s LEU 240 Cb -0.13 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1aa1 s LEU 240 CO 0.20 -0.96 1.63 0.21 0.23 0.00 0.00 176.35 177.65 1aa1 s ASN 241 N 1.97 6.41 0.00 2.29 3.04 -1.26 -0.66 114.94 126.74 1aa1 s ASN 241 Ca 0.42 1.72 0.24 0.00 0.04 0.00 0.00 52.86 55.28 1aa1 s ASN 241 Cb -0.11 -2.53 0.19 0.00 -1.54 0.00 0.00 41.25 37.26 1aa1 s ASN 241 CO 0.21 -1.21 1.25 0.00 -3.04 0.00 0.00 177.10 174.31 1aa1 n ALA 242 N 8.28 2.46 -1.66 1.71 0.00 0.05 -4.85 120.51 126.51 1aa1 n ALA 242 Ca 0.19 -0.69 -0.45 0.00 0.00 0.00 0.00 53.44 52.49 1aa1 n ALA 242 Cb 0.45 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1aa1 n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1aa1 n THR 243 N 1.34 0.93 -3.99 0.00 -1.04 -1.25 -4.40 114.28 105.87 1aa1 n THR 243 Ca 0.14 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.05 61.80 1aa1 n THR 243 Cb 0.59 -1.42 -0.02 0.00 -1.82 0.00 0.00 70.33 67.66 1aa1 n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aa1 s ALA 244 N -0.05 0.11 0.25 2.41 0.00 -1.26 -4.82 121.76 118.39 1aa1 s ALA 244 Ca 0.69 -1.15 0.11 0.00 0.00 0.00 0.00 51.96 51.60 1aa1 s ALA 244 Cb -0.67 1.00 0.32 0.00 0.00 0.00 0.00 23.12 23.77 1aa1 s ALA 244 CO 0.50 -0.86 1.59 0.78 0.00 0.00 0.00 175.76 177.76 1aa1 h GLY 245 N 2.10 0.00 -2.51 0.00 0.00 -1.95 -3.47 103.07 97.25 1aa1 h GLY 245 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.71 1aa1 h GLY 245 CO 0.38 0.00 -0.65 -0.51 0.00 0.00 0.00 176.54 175.77 1aa1 s THR 246 N -3.53 0.74 0.21 4.70 -4.23 -1.26 -5.05 115.64 107.23 1aa1 s THR 246 Ca -0.01 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 1aa1 s THR 246 Cb 0.12 -2.35 0.15 0.00 1.34 0.00 0.00 72.50 71.76 1aa1 s THR 246 CO 0.76 -0.28 1.76 0.00 -0.54 0.00 0.00 174.62 176.33 1aa1 h GLU 248 N 1.15 0.27 -0.69 0.00 3.07 -1.99 -0.41 114.58 115.99 1aa1 h GLU 248 Ca 0.26 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 1aa1 h GLU 248 Cb 0.26 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 1aa1 h GLU 248 CO -0.02 0.18 0.13 -0.44 -1.40 0.00 0.00 179.01 177.46 1aa1 h ASP 249 N 0.28 1.08 -0.51 1.42 3.32 -1.93 -1.59 116.42 118.47 1aa1 h ASP 249 Ca 0.09 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1aa1 h ASP 249 Cb -0.01 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1aa1 h ASP 249 CO -0.04 1.06 0.28 -0.03 -1.72 0.00 0.00 179.24 178.79 1aa1 h MET 250 N 1.05 0.72 -0.41 3.56 4.05 -1.15 -2.62 114.93 120.13 1aa1 h MET 250 Ca 0.21 -0.08 -0.08 0.00 -0.28 0.00 0.00 59.70 59.47 1aa1 h MET 250 Cb 0.43 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1aa1 h MET 250 CO 0.01 0.56 -0.07 0.52 0.23 0.00 0.00 176.91 178.16 1aa1 h MET 251 N 0.69 0.71 -0.93 0.39 2.86 -0.83 -2.31 114.93 115.50 1aa1 h MET 251 Ca 0.18 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1aa1 h MET 251 Cb 0.05 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 1aa1 h MET 251 CO -0.03 0.77 0.62 0.87 1.06 0.00 0.00 176.91 180.20 1aa1 h LYS 252 N 0.65 1.20 -0.27 1.72 1.57 -0.99 -0.42 116.57 120.03 1aa1 h LYS 252 Ca 0.12 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 1aa1 h LYS 252 Cb 0.51 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1aa1 h LYS 252 CO 0.03 0.79 -0.46 0.00 -0.57 0.00 0.00 179.45 179.24 1aa1 h ARG 253 N 1.23 0.78 -0.72 3.15 3.08 -1.16 -2.63 114.38 118.11 1aa1 h ARG 253 Ca 0.35 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1aa1 h ARG 253 Cb -0.09 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1aa1 h ARG 253 CO -0.09 1.11 0.24 0.00 -1.07 0.00 0.00 179.97 180.16 1aa1 h ALA 254 N 0.66 0.94 -0.85 0.04 0.00 -1.07 -2.56 119.26 116.43 1aa1 h ALA 254 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1aa1 h ALA 254 Cb 1.06 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1aa1 h ALA 254 CO 0.10 0.61 0.42 0.28 0.00 0.00 0.00 179.25 180.66 1aa1 h VAL 255 N 1.06 1.26 -0.30 0.00 2.07 -1.04 -1.53 116.25 117.76 1aa1 h VAL 255 Ca 0.23 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 1aa1 h VAL 255 Cb 0.29 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1aa1 h VAL 255 CO -0.01 0.31 -0.28 0.15 0.02 0.00 0.00 177.57 177.75 1aa1 h PHE 256 N 1.20 0.71 -0.79 1.57 3.57 -1.27 -0.72 116.94 121.22 1aa1 h PHE 256 Ca 0.29 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1aa1 h PHE 256 Cb 0.10 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 1aa1 h PHE 256 CO 0.01 0.84 0.44 0.00 -2.23 0.00 0.00 178.31 177.37 1aa1 h ALA 257 N 1.15 1.01 -0.23 2.41 0.00 -1.00 -0.43 119.26 122.18 1aa1 h ALA 257 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1aa1 h ALA 257 Cb 0.76 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1aa1 h ALA 257 CO 0.06 0.52 0.13 -0.09 0.00 0.00 0.00 179.25 179.87 1aa1 h ARG 258 N 1.09 0.33 -0.85 0.00 1.12 -0.93 -2.51 114.38 112.63 1aa1 h ARG 258 Ca 0.28 -0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.17 1aa1 h ARG 258 Cb 0.03 -0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 29.87 1aa1 h ARG 258 CO -0.05 0.30 0.55 1.49 -3.11 0.00 0.00 179.97 179.16 1aa1 h GLU 259 N 0.26 0.93 0.00 0.20 4.81 -0.48 -0.64 114.58 119.66 1aa1 h GLU 259 Ca 0.08 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1aa1 h GLU 259 Cb 0.07 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1aa1 h GLU 259 CO -0.01 0.61 0.00 1.28 -0.73 0.00 0.00 179.01 180.16 1aa1 n LEU 260 N -4.48 0.48 -0.37 1.64 4.77 -0.23 -4.90 117.00 113.91 1aa1 n LEU 260 Ca 0.12 0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 56.65 1aa1 n LEU 260 Cb 0.19 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1aa1 n LEU 260 CO 0.33 -0.33 -0.05 0.61 -1.33 0.00 0.00 177.39 176.63 1aa1 n GLY 261 N 0.52 0.74 3.84 -0.72 0.00 -0.25 -5.02 105.19 104.30 1aa1 n GLY 261 Ca 0.04 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1aa1 n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aa1 s VAL 262 N -2.10 4.42 -0.45 1.61 -7.23 -1.17 -5.02 120.40 110.46 1aa1 s VAL 262 Ca 0.00 1.01 0.23 0.00 -1.81 0.00 0.00 61.98 61.41 1aa1 s VAL 262 Cb 0.00 -3.68 0.24 0.00 0.56 0.00 0.00 36.38 33.50 1aa1 s VAL 262 CO 0.00 -0.82 1.49 1.55 -0.31 0.00 0.00 175.10 177.02 1aa1 h PRO 263 N 0.31 0.00 -3.00 4.82 0.13 -1.90 -3.45 132.00 128.90 1aa1 h PRO 263 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 1aa1 h PRO 263 Cb 1.19 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1aa1 h PRO 263 CO 0.61 0.00 -0.35 -1.50 -0.23 0.00 0.00 178.00 176.52 1aa1 s ILE 264 N -3.22 0.01 0.39 -3.56 2.07 -1.26 -1.08 121.20 114.54 1aa1 s ILE 264 Ca 0.06 -0.04 0.06 0.00 -1.41 0.00 0.00 60.65 59.31 1aa1 s ILE 264 Cb 0.08 -0.45 -0.07 0.00 0.13 0.00 0.00 42.46 42.15 1aa1 s ILE 264 CO 0.69 -0.02 0.03 0.68 -1.91 0.00 0.00 174.94 174.40 1aa1 s VAL 265 N 0.04 1.66 0.08 4.00 -7.23 -0.78 -3.26 120.40 114.90 1aa1 s VAL 265 Ca -0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1aa1 s VAL 265 Cb -0.02 -2.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1aa1 s VAL 265 CO 0.01 0.00 -0.09 -0.32 -0.31 0.00 0.00 175.10 174.39 1aa1 s MET 266 N -3.78 0.74 -0.11 4.82 1.75 0.17 -1.04 119.30 121.84 1aa1 s MET 266 Ca 0.33 -1.05 -0.10 0.00 -1.25 0.00 0.00 55.69 53.62 1aa1 s MET 266 Cb 0.09 -0.42 0.03 0.00 2.84 0.00 0.00 34.83 37.37 1aa1 s MET 266 CO 0.16 0.06 0.30 -1.58 -0.65 0.00 0.00 175.02 173.32 1aa1 s HIS 267 N -2.24 -0.34 -0.85 4.11 5.04 -0.69 -0.77 115.29 119.56 1aa1 s HIS 267 Ca 0.01 0.82 -0.17 0.00 -1.54 0.00 0.00 55.06 54.18 1aa1 s HIS 267 Cb -0.04 0.11 0.15 0.00 0.04 0.00 0.00 32.58 32.85 1aa1 s HIS 267 CO -0.01 -0.17 0.97 -0.51 -2.34 0.00 0.00 174.74 172.68 1aa1 s ASP 268 N 0.22 6.60 0.57 9.88 1.01 -1.26 -1.76 116.67 131.93 1aa1 s ASP 268 Ca -0.00 -2.13 0.26 0.00 0.71 0.00 0.00 52.55 51.38 1aa1 s ASP 268 Cb -0.02 -2.33 1.66 0.00 1.01 0.00 0.00 42.92 43.23 1aa1 s ASP 268 CO -0.00 -0.94 2.22 0.10 0.21 0.00 0.00 175.17 176.76 1aa1 h TYR 269 N 8.59 0.00 0.18 4.23 -0.00 -1.89 -0.33 116.97 127.74 1aa1 h TYR 269 Ca 0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.47 1aa1 h TYR 269 Cb 1.04 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.78 1aa1 h TYR 269 CO 1.08 0.00 -1.67 -0.07 -0.00 0.00 0.00 178.16 177.50 1aa1 h LEU 270 N 0.00 0.59 0.10 0.10 3.38 -1.79 -0.80 115.31 116.89 1aa1 h LEU 270 Ca -0.00 -0.84 -0.26 0.00 0.09 0.00 0.00 57.88 56.87 1aa1 h LEU 270 Cb 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1aa1 h LEU 270 CO 0.00 1.70 -1.20 0.71 0.09 0.00 0.00 178.44 179.74 1aa1 h THR 271 N 0.10 1.53 -0.12 0.22 1.35 -1.73 -3.28 112.91 110.98 1aa1 h THR 271 Ca -0.31 -3.13 -0.11 0.00 -0.55 0.00 0.00 66.41 62.31 1aa1 h THR 271 Cb 2.09 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 71.43 1aa1 h THR 271 CO 0.19 0.91 -0.35 1.23 -0.25 0.00 0.00 175.52 177.24 1aa1 h GLY 272 N 1.91 0.50 0.00 5.82 0.00 -1.19 -3.50 103.07 106.61 1aa1 h GLY 272 Ca -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1aa1 h GLY 272 CO 0.19 0.57 0.00 0.61 0.00 0.00 0.00 176.54 177.91 1aa1 n GLY 273 N 0.54 2.88 0.24 4.60 0.00 -0.31 -4.64 105.19 108.50 1aa1 n GLY 273 Ca -0.07 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 1aa1 n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1aa1 h PHE 274 N 0.00 0.57 -0.25 1.61 0.04 -1.89 -0.95 116.94 116.07 1aa1 h PHE 274 Ca 0.00 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 1aa1 h PHE 274 Cb 0.00 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1aa1 h PHE 274 CO 0.00 0.72 0.09 1.15 -0.60 0.00 0.00 178.31 179.68 1aa1 h THR 275 N 0.45 1.18 -0.43 -1.55 2.02 -1.93 -1.35 112.91 111.29 1aa1 h THR 275 Ca 0.06 -0.54 -0.15 0.00 0.77 0.00 0.00 66.41 66.55 1aa1 h THR 275 Cb 0.69 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1aa1 h THR 275 CO 0.05 0.18 -0.32 0.00 0.37 0.00 0.00 175.52 175.80 1aa1 h ALA 276 N 0.93 0.62 -0.52 6.16 0.00 -1.81 -2.95 119.26 121.70 1aa1 h ALA 276 Ca 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1aa1 h ALA 276 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1aa1 h ALA 276 CO -0.01 0.68 0.31 -0.97 0.00 0.00 0.00 179.25 179.26 1aa1 h ASN 277 N 0.81 0.50 -0.83 0.00 -0.73 -0.99 -1.19 115.58 113.15 1aa1 h ASN 277 Ca 0.08 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 1aa1 h ASN 277 Cb 0.91 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 39.36 1aa1 h ASN 277 CO 0.08 0.36 0.40 0.74 -0.37 0.00 0.00 177.43 178.64 1aa1 h THR 278 N 0.62 1.26 -0.08 -3.57 2.02 -1.25 0.16 112.91 112.07 1aa1 h THR 278 Ca 0.21 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1aa1 h THR 278 Cb 0.02 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1aa1 h THR 278 CO -0.09 0.31 0.05 0.74 0.37 0.00 0.00 175.52 176.89 1aa1 h THR 279 N 1.18 1.01 -0.65 3.16 2.02 -1.29 -0.85 112.91 117.49 1aa1 h THR 279 Ca 0.28 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 1aa1 h THR 279 Cb 0.12 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1aa1 h THR 279 CO -0.04 0.02 0.33 0.25 0.37 0.00 0.00 175.52 176.45 1aa1 h LEU 280 N 0.10 0.84 -0.90 2.58 5.85 -0.80 -2.09 115.31 120.89 1aa1 h LEU 280 Ca 0.03 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1aa1 h LEU 280 Cb -0.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1aa1 h LEU 280 CO -0.01 0.72 0.59 -1.28 -0.34 0.00 0.00 178.44 178.11 1aa1 h SER 281 N 0.90 0.98 -0.42 1.25 0.87 -0.35 -0.37 113.55 116.41 1aa1 h SER 281 Ca 0.23 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.68 1aa1 h SER 281 Cb 0.09 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1aa1 h SER 281 CO -0.03 0.68 -0.13 0.45 -0.53 0.00 0.00 176.83 177.27 1aa1 h HIS 282 N 1.15 0.93 -0.65 2.24 3.86 -0.81 -2.36 115.15 119.51 1aa1 h HIS 282 Ca 0.35 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1aa1 h HIS 282 Cb -0.02 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 1aa1 h HIS 282 CO -0.01 0.95 0.28 -0.92 0.86 0.00 0.00 177.93 179.09 1aa1 h TYR 283 N 0.64 0.97 -0.87 2.45 3.20 -0.97 -1.54 116.97 120.85 1aa1 h TYR 283 Ca 0.10 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1aa1 h TYR 283 Cb 0.67 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1aa1 h TYR 283 CO 0.05 0.75 0.49 0.00 -1.64 0.00 0.00 178.16 177.81 1aa1 h ARG 285 N 1.21 0.28 0.00 0.00 9.65 -1.03 -0.27 114.38 124.22 1aa1 h ARG 285 Ca 0.31 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1aa1 h ARG 285 Cb 0.01 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1aa1 h ARG 285 CO -0.05 0.38 0.00 -0.44 2.80 0.00 0.00 179.97 182.65 1aa1 h ASP 286 N 0.13 0.00 -0.02 -3.80 3.32 -0.91 -3.16 116.42 111.98 1aa1 h ASP 286 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1aa1 h ASP 286 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1aa1 h ASP 286 CO -0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1aa1 n ASN 287 N -2.76 1.88 -1.03 6.45 3.02 -0.31 -5.02 115.26 117.50 1aa1 n ASN 287 Ca 0.00 -1.84 -0.12 0.00 -0.03 0.00 0.00 54.58 52.60 1aa1 n ASN 287 Cb 0.22 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 1aa1 n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aa1 n GLY 288 N -0.36 0.82 3.79 7.41 0.00 -0.22 -5.02 105.19 111.60 1aa1 n GLY 288 Ca 0.01 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1aa1 n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aa1 s LEU 289 N -2.85 4.36 0.49 0.99 1.43 -0.55 -4.98 118.68 117.56 1aa1 s LEU 289 Ca 0.00 0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 1aa1 s LEU 289 Cb 0.00 -2.45 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 1aa1 s LEU 289 CO 0.00 0.22 0.98 -0.76 0.23 0.00 0.00 176.35 177.02 1aa1 s LEU 290 N -0.33 3.74 -0.16 1.79 1.43 -0.24 -4.55 118.68 120.36 1aa1 s LEU 290 Ca 0.20 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1aa1 s LEU 290 Cb -0.15 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.59 1aa1 s LEU 290 CO 0.08 -0.53 -0.09 -0.22 0.23 0.00 0.00 176.35 175.82 1aa1 s LEU 291 N -3.75 1.68 -0.19 1.79 2.96 -1.26 -1.87 118.68 118.05 1aa1 s LEU 291 Ca 0.60 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.79 1aa1 s LEU 291 Cb -0.10 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 1aa1 s LEU 291 CO 0.25 -0.13 0.29 -2.28 -1.32 0.00 0.00 176.35 173.15 1aa1 s HIS 292 N 1.56 3.41 -0.18 5.38 5.65 -0.21 -0.45 115.29 130.46 1aa1 s HIS 292 Ca 0.02 0.52 -0.04 0.00 0.25 0.00 0.00 55.06 55.81 1aa1 s HIS 292 Cb -0.14 -2.37 -0.02 0.00 -1.18 0.00 0.00 32.58 28.87 1aa1 s HIS 292 CO -0.09 0.15 -0.02 0.42 -0.65 0.00 0.00 174.74 174.55 1aa1 s ILE 293 N 0.77 3.88 -0.12 0.89 -1.09 -0.50 -1.70 121.20 123.33 1aa1 s ILE 293 Ca 0.15 -0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1aa1 s ILE 293 Cb -0.13 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1aa1 s ILE 293 CO 0.05 0.46 0.08 -2.28 -1.23 0.00 0.00 174.94 172.01 1aa1 s HIS 294 N 0.76 3.39 -0.48 3.97 2.46 -0.72 -2.54 115.29 122.12 1aa1 s HIS 294 Ca -0.01 0.34 0.01 0.00 0.47 0.00 0.00 55.06 55.87 1aa1 s HIS 294 Cb -0.14 -1.92 0.51 0.00 -0.13 0.00 0.00 32.58 30.89 1aa1 s HIS 294 CO 0.02 0.54 1.91 2.89 -2.47 0.00 0.00 174.74 177.63 1aa1 n ARG 295 N 2.36 2.28 -1.62 2.88 1.85 -1.26 -3.18 116.66 119.96 1aa1 n ARG 295 Ca -0.19 -2.77 -0.46 0.00 -1.00 0.00 0.00 57.85 53.43 1aa1 n ARG 295 Cb 0.54 -2.09 -0.03 0.00 -1.05 0.00 0.00 32.46 29.83 1aa1 n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1aa1 n ALA 296 N -0.82 0.19 -0.15 2.89 0.00 -1.26 -1.53 120.51 119.84 1aa1 n ALA 296 Ca 0.54 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1aa1 n ALA 296 Cb 1.15 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1aa1 n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1aa1 n MET 297 N 1.67 0.00 -0.27 0.00 0.00 -1.26 -4.31 117.12 112.95 1aa1 n MET 297 Ca 0.12 0.00 0.03 0.00 -0.00 0.00 0.00 57.70 57.85 1aa1 n MET 297 Cb 0.29 -1.08 0.17 0.00 0.00 0.00 0.00 33.22 32.60 1aa1 n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1aa1 h HIS 298 N 0.00 0.74 0.00 1.12 -0.00 -1.70 -1.72 115.15 113.59 1aa1 h HIS 298 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1aa1 h HIS 298 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.20 1aa1 h HIS 298 CO 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 177.93 178.19 1aa1 h ALA 299 N 1.47 1.00 -0.02 6.11 0.00 -1.93 0.33 119.26 126.22 1aa1 h ALA 299 Ca 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1aa1 h ALA 299 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1aa1 h ALA 299 CO -0.28 0.00 -0.38 0.28 0.00 0.00 0.00 179.25 178.87 1aa1 h VAL 300 N 0.00 1.28 0.00 0.00 2.07 -1.73 -3.19 116.25 114.68 1aa1 h VAL 300 Ca 0.00 -1.33 -0.28 0.00 0.82 0.00 0.00 66.70 65.91 1aa1 h VAL 300 Cb 0.18 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1aa1 h VAL 300 CO 0.00 0.38 -2.05 -0.38 0.02 0.00 0.00 177.57 175.54 1aa1 n ILE 301 N -4.08 1.05 -0.34 4.57 5.41 0.34 -4.73 119.36 121.58 1aa1 n ILE 301 Ca -0.02 -0.40 0.11 0.00 1.00 0.00 0.00 62.75 63.45 1aa1 n ILE 301 Cb 0.42 -1.17 0.31 0.00 -0.71 0.00 0.00 39.64 38.49 1aa1 n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1aa1 n ASP 302 N -3.07 3.88 -0.07 4.38 5.68 0.90 -2.08 116.55 126.17 1aa1 n ASP 302 Ca -0.33 -2.00 -0.14 0.00 -0.50 0.00 0.00 54.79 51.83 1aa1 n ASP 302 Cb 0.84 -0.47 -0.12 0.00 -1.14 0.00 0.00 41.12 40.24 1aa1 n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1aa1 h ARG 303 N 4.14 0.00 -6.57 0.11 2.43 -1.76 -3.42 114.38 109.31 1aa1 h ARG 303 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 1aa1 h ARG 303 Cb 0.97 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1aa1 h ARG 303 CO 0.00 0.91 0.46 -0.65 -1.51 0.00 0.00 179.97 179.18 1aa1 s GLN 304 N -2.18 4.57 0.50 0.20 -1.52 -1.26 -4.94 119.66 115.03 1aa1 s GLN 304 Ca -0.18 1.64 0.24 0.00 -1.95 0.00 0.00 55.36 55.11 1aa1 s GLN 304 Cb -0.02 -3.34 1.34 0.00 -0.22 0.00 0.00 33.01 30.78 1aa1 s GLN 304 CO 0.62 0.00 2.05 -0.22 -0.25 0.00 0.00 175.29 177.50 1aa1 h LYS 305 N 5.81 0.00 0.00 2.91 3.64 -1.98 -3.22 116.57 123.73 1aa1 h LYS 305 Ca -0.43 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.76 1aa1 h LYS 305 Cb 1.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1aa1 h LYS 305 CO 0.75 0.14 -1.22 -2.95 -2.27 0.00 0.00 179.45 173.89 1aa1 h ASN 306 N 0.00 0.00 -3.70 4.20 -1.07 -1.94 -3.46 115.58 109.61 1aa1 h ASN 306 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.18 1aa1 h ASN 306 Cb 0.33 0.00 -0.27 0.00 -2.07 0.00 0.00 38.32 36.31 1aa1 h ASN 306 CO 0.02 0.74 -0.49 -2.28 0.07 0.00 0.00 177.43 175.49 1aa1 s HIS 307 N -2.81 -0.24 -1.36 4.14 5.04 -1.22 -2.69 115.29 116.14 1aa1 s HIS 307 Ca -0.01 0.59 0.00 0.00 -1.54 0.00 0.00 55.06 54.10 1aa1 s HIS 307 Cb 0.09 0.06 0.00 0.00 0.04 0.00 0.00 32.58 32.77 1aa1 s HIS 307 CO 0.80 -0.14 0.00 0.41 -2.34 0.00 0.00 174.74 173.48 1aa1 n GLY 308 N 3.28 0.37 2.83 1.59 0.00 -0.38 -4.42 105.19 108.47 1aa1 n GLY 308 Ca -0.16 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 1aa1 n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aa1 s MET 309 N -0.76 0.21 0.52 1.61 -1.94 -0.89 -0.90 119.30 117.15 1aa1 s MET 309 Ca 0.00 0.06 -0.21 0.00 -1.71 0.00 0.00 55.69 53.83 1aa1 s MET 309 Cb 0.00 -0.36 -0.06 0.00 2.01 0.00 0.00 34.83 36.42 1aa1 s MET 309 CO 0.00 -0.09 1.14 -1.58 -0.01 0.00 0.00 175.02 174.48 1aa1 s HIS 310 N 0.75 2.74 0.49 -0.03 2.46 -0.05 -3.48 115.29 118.17 1aa1 s HIS 310 Ca -0.07 1.54 0.23 0.00 0.47 0.00 0.00 55.06 57.23 1aa1 s HIS 310 Cb -0.10 -3.32 1.28 0.00 -0.13 0.00 0.00 32.58 30.31 1aa1 s HIS 310 CO -0.02 -1.55 1.94 0.35 -2.47 0.00 0.00 174.74 173.00 1aa1 h PHE 311 N 1.48 0.20 -0.22 3.88 3.57 -1.91 -1.62 116.94 122.31 1aa1 h PHE 311 Ca -0.50 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.06 1aa1 h PHE 311 Cb 1.26 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1aa1 h PHE 311 CO 0.52 0.07 0.15 0.07 -2.23 0.00 0.00 178.31 176.89 1aa1 h ARG 312 N 0.16 0.07 -0.22 1.11 0.11 -1.91 0.22 114.38 113.92 1aa1 h ARG 312 Ca 0.33 -0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.27 1aa1 h ARG 312 Cb 1.08 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1aa1 h ARG 312 CO -0.05 0.04 -0.42 0.28 0.10 0.00 0.00 179.97 179.92 1aa1 h VAL 313 N 0.07 1.32 0.00 0.08 2.07 -1.52 -1.89 116.25 116.37 1aa1 h VAL 313 Ca 0.10 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 1aa1 h VAL 313 Cb 0.32 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1aa1 h VAL 313 CO -0.01 0.51 -0.33 -0.07 0.02 0.00 0.00 177.57 177.69 1aa1 h LEU 314 N 0.38 0.00 -0.13 2.57 3.38 -1.03 -2.00 115.31 118.48 1aa1 h LEU 314 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1aa1 h LEU 314 Cb 1.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 1aa1 h LEU 314 CO 0.09 0.33 -0.50 0.00 0.09 0.00 0.00 178.44 178.45 1aa1 h ALA 315 N 1.67 0.23 -0.58 1.53 0.00 -0.55 -2.54 119.26 119.02 1aa1 h ALA 315 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1aa1 h ALA 315 Cb 0.64 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1aa1 h ALA 315 CO 0.04 0.41 0.24 0.87 0.00 0.00 0.00 179.25 180.82 1aa1 h LYS 316 N 0.19 0.86 -0.78 0.00 1.57 -1.09 -1.84 116.57 115.49 1aa1 h LYS 316 Ca -0.03 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1aa1 h LYS 316 Cb 1.14 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 1aa1 h LYS 316 CO 0.11 0.73 0.51 0.00 -0.57 0.00 0.00 179.45 180.23 1aa1 h ALA 317 N 1.09 1.00 -0.56 3.86 0.00 -1.40 -2.30 119.26 120.95 1aa1 h ALA 317 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1aa1 h ALA 317 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1aa1 h ALA 317 CO -0.02 0.38 -0.03 1.25 0.00 0.00 0.00 179.25 180.83 1aa1 h LEU 318 N 1.03 0.96 -1.60 0.00 7.12 -1.14 -0.37 115.31 121.31 1aa1 h LEU 318 Ca 0.29 -0.28 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 1aa1 h LEU 318 Cb -0.09 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 39.77 1aa1 h LEU 318 CO -0.08 1.03 -0.00 -0.09 -0.13 0.00 0.00 178.44 179.17 1aa1 h ARG 319 N 0.89 0.24 0.03 1.25 2.43 -0.87 0.53 114.38 118.89 1aa1 h ARG 319 Ca 0.16 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1aa1 h ARG 319 Cb 0.56 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1aa1 h ARG 319 CO 0.03 0.27 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.68 1aa1 h LEU 320 N 0.24 -0.04 -0.34 3.80 3.38 -1.09 -3.26 115.31 118.00 1aa1 h LEU 320 Ca 0.06 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.42 1aa1 h LEU 320 Cb 0.18 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1aa1 h LEU 320 CO 0.00 0.73 0.17 -1.28 0.09 0.00 0.00 178.44 178.16 1aa1 h SER 321 N -0.93 0.26 0.00 -0.43 0.87 -0.94 -2.69 113.55 109.68 1aa1 h SER 321 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1aa1 h SER 321 Cb 0.67 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1aa1 h SER 321 CO 0.01 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.11 1aa1 n GLY 322 N -1.20 4.00 3.63 5.77 0.00 0.19 -4.47 105.19 113.10 1aa1 n GLY 322 Ca 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 1aa1 n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aa1 s GLY 323 N 0.00 0.03 -0.14 -0.02 0.00 -1.25 -4.78 107.32 101.15 1aa1 s GLY 323 Ca 0.00 2.69 0.18 0.00 0.00 0.00 0.00 44.72 47.59 1aa1 s GLY 323 CO 0.00 1.08 0.24 1.22 0.00 0.00 0.00 173.10 175.64 1aa1 n ASP 324 N 0.52 0.16 -4.25 1.64 8.00 0.41 -4.40 116.55 118.64 1aa1 n ASP 324 Ca -0.01 0.08 -0.18 0.00 0.71 0.00 0.00 54.79 55.38 1aa1 n ASP 324 Cb 0.59 0.94 -0.11 0.00 -0.02 0.00 0.00 41.12 42.52 1aa1 n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1aa1 s HIS 325 N -2.66 1.45 -0.21 1.24 3.76 -0.94 -1.22 115.29 116.70 1aa1 s HIS 325 Ca -0.09 -0.55 -0.13 0.00 -0.15 0.00 0.00 55.06 54.14 1aa1 s HIS 325 Cb 0.07 -0.75 0.06 0.00 1.11 0.00 0.00 32.58 33.08 1aa1 s HIS 325 CO 0.84 0.16 0.52 -1.50 -0.85 0.00 0.00 174.74 173.91 1aa1 s ILE 326 N -2.13 -0.01 0.26 0.60 2.07 -0.79 -1.41 121.20 119.79 1aa1 s ILE 326 Ca 0.10 0.05 -0.30 0.00 -1.41 0.00 0.00 60.65 59.08 1aa1 s ILE 326 Cb -0.05 -0.75 -0.10 0.00 0.13 0.00 0.00 42.46 41.69 1aa1 s ILE 326 CO 0.03 0.02 1.42 -1.00 -1.91 0.00 0.00 174.94 173.51 1aa1 s HIS 327 N 1.23 3.02 -0.05 3.50 3.76 -1.05 -0.76 115.29 124.94 1aa1 s HIS 327 Ca -0.08 1.08 0.07 0.00 -0.15 0.00 0.00 55.06 55.98 1aa1 s HIS 327 Cb -0.06 -3.80 0.11 0.00 1.11 0.00 0.00 32.58 29.94 1aa1 s HIS 327 CO -0.12 -2.56 1.01 -1.13 -0.85 0.00 0.00 174.74 171.09 1aa1 n SER 328 N 2.14 1.12 0.00 1.40 3.41 -0.56 -4.80 113.62 116.32 1aa1 n SER 328 Ca 0.06 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 1aa1 n SER 328 Cb 0.40 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1aa1 n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aa1 n GLY 329 N -0.62 -0.63 0.03 5.00 0.00 -1.26 -4.86 105.19 102.86 1aa1 n GLY 329 Ca 0.06 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.36 1aa1 n GLY 329 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1aa1 n THR 330 N -0.67 0.42 0.00 2.61 5.66 -1.25 -3.86 114.28 117.19 1aa1 n THR 330 Ca 0.00 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1aa1 n THR 330 Cb 0.00 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 1aa1 n THR 330 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1aa1 n VAL 331 N -2.24 0.00 -1.46 1.08 0.31 -1.26 -4.93 118.33 109.83 1aa1 n VAL 331 Ca -0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.96 1aa1 n VAL 331 Cb 0.64 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.50 1aa1 n VAL 331 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1aa1 n VAL 332 N 0.00 3.38 -2.37 2.52 0.31 -1.26 -4.89 118.33 116.02 1aa1 n VAL 332 Ca 0.00 -2.89 -0.42 0.00 -0.01 0.00 0.00 64.34 61.02 1aa1 n VAL 332 Cb 0.00 -1.67 -0.03 0.00 -0.91 0.00 0.00 33.84 31.23 1aa1 n VAL 332 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1aa1 s GLU 338 N -1.37 4.45 0.15 5.55 -6.30 -1.26 -4.96 118.70 114.95 1aa1 s GLU 338 Ca 0.60 1.85 -0.29 0.00 -2.50 0.00 0.00 54.97 54.62 1aa1 s GLU 338 Cb 0.37 -3.29 -0.04 0.00 0.00 0.00 0.00 34.13 31.17 1aa1 s GLU 338 CO -0.19 -0.20 1.56 -0.09 0.02 0.00 0.00 175.26 176.35 1aa1 h ARG 339 N 6.14 -0.32 -0.92 4.30 2.43 -2.00 -2.50 114.38 121.51 1aa1 h ARG 339 Ca -0.43 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.84 1aa1 h ARG 339 Cb 1.21 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.77 1aa1 h ARG 339 CO 0.79 -0.21 0.57 -0.44 -1.51 0.00 0.00 179.97 179.17 1aa1 h ASP 340 N -0.33 0.87 -0.46 -3.80 3.32 -1.96 -0.35 116.42 113.71 1aa1 h ASP 340 Ca 0.12 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1aa1 h ASP 340 Cb 0.58 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1aa1 h ASP 340 CO -0.62 0.53 0.21 0.40 -1.72 0.00 0.00 179.24 178.04 1aa1 h ILE 341 N 0.99 1.19 -0.04 0.35 1.08 -1.70 -0.30 117.51 119.07 1aa1 h ILE 341 Ca 0.42 -0.55 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1aa1 h ILE 341 Cb 0.27 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1aa1 h ILE 341 CO -0.21 0.21 0.02 0.74 -0.69 0.00 0.00 178.15 178.22 1aa1 h THR 342 N 0.59 1.14 -0.31 -0.27 2.02 -0.95 -1.99 112.91 113.14 1aa1 h THR 342 Ca 0.16 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1aa1 h THR 342 Cb 0.13 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1aa1 h THR 342 CO -0.02 0.11 0.21 -0.07 0.37 0.00 0.00 175.52 176.12 1aa1 h LEU 343 N -0.09 0.27 -0.01 2.58 3.38 -0.97 0.04 115.31 120.51 1aa1 h LEU 343 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1aa1 h LEU 343 Cb 0.17 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1aa1 h LEU 343 CO -0.00 0.19 0.00 1.23 0.09 0.00 0.00 178.44 179.95 1aa1 h GLY 344 N 0.31 0.02 2.00 0.83 0.00 -0.44 -1.89 103.07 103.90 1aa1 h GLY 344 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1aa1 h GLY 344 CO -0.03 0.01 0.00 0.27 0.00 0.00 0.00 176.54 176.79 1aa1 h PHE 345 N -0.14 0.00 -0.35 5.60 -5.15 -0.67 -2.77 116.94 113.45 1aa1 h PHE 345 Ca 0.00 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.64 1aa1 h PHE 345 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 1aa1 h PHE 345 CO -0.02 0.00 -0.30 0.28 -2.00 0.00 0.00 178.31 176.27 1aa1 h VAL 346 N 0.00 1.28 -0.79 0.88 2.07 -0.80 -1.99 116.25 116.91 1aa1 h VAL 346 Ca 0.00 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1aa1 h VAL 346 Cb 0.74 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 1aa1 h VAL 346 CO 0.00 0.48 0.36 0.44 0.02 0.00 0.00 177.57 178.87 1aa1 h ASP 347 N 0.61 1.04 0.30 0.57 3.32 -1.13 -1.59 116.42 119.55 1aa1 h ASP 347 Ca 0.06 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1aa1 h ASP 347 Cb 0.88 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1aa1 h ASP 347 CO 0.08 0.89 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.24 1aa1 h LEU 348 N 1.13 0.00 0.09 1.55 3.38 -1.23 -0.17 115.31 120.06 1aa1 h LEU 348 Ca 0.27 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.94 1aa1 h LEU 348 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1aa1 h LEU 348 CO -0.03 0.18 -1.50 -0.07 0.09 0.00 0.00 178.44 177.11 1aa1 h LEU 349 N 0.00 0.31 0.03 1.67 3.38 -0.66 -3.41 115.31 116.63 1aa1 h LEU 349 Ca -0.00 -0.44 -0.38 0.00 0.09 0.00 0.00 57.88 57.15 1aa1 h LEU 349 Cb 0.38 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1aa1 h LEU 349 CO 0.02 1.37 -2.31 0.54 0.09 0.00 0.00 178.44 178.15 1aa1 n ARG 350 N -3.40 0.68 -2.00 1.13 1.74 -0.66 -0.19 116.66 113.95 1aa1 n ARG 350 Ca -0.15 0.17 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 1aa1 n ARG 350 Cb 1.03 -1.58 0.05 0.00 -1.02 0.00 0.00 32.46 30.94 1aa1 n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aa1 s ASP 351 N -6.51 5.30 0.18 0.55 1.01 -0.09 -4.30 116.67 112.81 1aa1 s ASP 351 Ca -0.27 0.96 0.22 0.00 0.71 0.00 0.00 52.55 54.17 1aa1 s ASP 351 Cb 0.08 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.23 1aa1 s ASP 351 CO 0.68 -1.39 0.98 -0.67 0.21 0.00 0.00 175.17 174.98 1aa1 n ASP 352 N -2.97 0.76 -3.68 0.27 2.03 -1.26 -4.82 116.55 106.89 1aa1 n ASP 352 Ca 0.07 0.30 -0.09 0.00 0.52 0.00 0.00 54.79 55.58 1aa1 n ASP 352 Cb 0.58 0.60 -0.10 0.00 -0.72 0.00 0.00 41.12 41.48 1aa1 n ASP 352 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1aa1 s TYR 353 N -3.37 -0.74 -0.09 -0.67 5.04 -1.26 -0.73 117.35 115.53 1aa1 s TYR 353 Ca -0.01 1.53 -0.01 0.00 -2.44 0.00 0.00 57.07 56.14 1aa1 s TYR 353 Cb 0.10 0.37 0.03 0.00 0.35 0.00 0.00 41.96 42.81 1aa1 s TYR 353 CO 0.80 -0.40 -0.01 0.99 -1.34 0.00 0.00 175.55 175.59 1aa1 s THR 354 N 1.49 0.54 0.51 4.34 2.01 -0.10 -5.00 115.64 119.43 1aa1 s THR 354 Ca -0.10 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.68 1aa1 s THR 354 Cb -0.08 -0.70 -0.08 0.00 0.01 0.00 0.00 72.50 71.66 1aa1 s THR 354 CO -0.15 0.24 1.03 -0.70 -0.69 0.00 0.00 174.62 174.35 1aa1 s GLU 355 N 1.90 3.73 0.27 4.92 2.56 -1.26 -0.43 118.70 130.39 1aa1 s GLU 355 Ca 0.04 1.29 -0.30 0.00 0.00 0.00 0.00 54.97 56.00 1aa1 s GLU 355 Cb -0.13 -2.09 -0.14 0.00 2.00 0.00 0.00 34.13 33.78 1aa1 s GLU 355 CO -0.06 -0.48 1.25 1.17 -0.56 0.00 0.00 175.26 176.58 1aa1 n LYS 356 N -1.21 1.79 -3.17 4.30 4.81 -1.26 -4.78 118.16 118.63 1aa1 n LYS 356 Ca 0.09 0.63 0.02 0.00 -0.87 0.00 0.00 58.31 58.18 1aa1 n LYS 356 Cb 0.53 -2.18 -0.01 0.00 0.02 0.00 0.00 35.03 33.40 1aa1 n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1aa1 s ASP 357 N -0.13 -1.49 0.53 3.14 2.15 0.32 -4.98 116.67 116.22 1aa1 s ASP 357 Ca 0.63 -0.45 0.19 0.00 0.43 0.00 0.00 52.55 53.35 1aa1 s ASP 357 Cb -0.66 1.90 1.38 0.00 -0.30 0.00 0.00 42.92 45.24 1aa1 s ASP 357 CO 0.56 -0.20 2.17 0.03 -0.17 0.00 0.00 175.17 177.56 1aa1 h ARG 358 N 7.23 0.00 0.00 4.34 2.47 -1.93 -1.16 114.38 125.33 1aa1 h ARG 358 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1aa1 h ARG 358 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1aa1 h ARG 358 CO 0.10 0.01 0.00 -1.13 0.56 0.00 0.00 179.97 179.51 1aa1 n SER 359 N -4.37 0.44 -0.08 7.04 3.41 -1.26 -1.81 113.62 116.99 1aa1 n SER 359 Ca -0.03 0.64 0.06 0.00 -0.26 0.00 0.00 58.87 59.28 1aa1 n SER 359 Cb 0.09 -0.72 0.08 0.00 -0.26 0.00 0.00 64.21 63.41 1aa1 n SER 359 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1aa1 n ARG 360 N -2.02 1.66 -1.05 4.33 1.74 -0.56 -4.71 116.66 116.04 1aa1 n ARG 360 Ca 0.01 -2.08 -0.02 0.00 -0.77 0.00 0.00 57.85 55.00 1aa1 n ARG 360 Cb 0.15 -1.25 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1aa1 n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aa1 n GLY 361 N -1.01 0.48 3.41 -0.13 0.00 -0.75 -4.45 105.19 102.75 1aa1 n GLY 361 Ca 0.10 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 1aa1 n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aa1 s ILE 362 N -1.81 4.64 -0.37 -0.61 1.01 -0.55 -4.89 121.20 118.62 1aa1 s ILE 362 Ca 0.00 -0.85 0.23 0.00 0.00 0.00 0.00 60.65 60.04 1aa1 s ILE 362 Cb 0.00 -4.60 0.33 0.00 0.01 0.00 0.00 42.46 38.20 1aa1 s ILE 362 CO 0.00 -1.29 1.63 1.88 0.00 0.00 0.00 174.94 177.16 1aa1 h TYR 363 N 9.26 0.00 -3.95 3.97 -1.99 -1.93 0.94 116.97 123.27 1aa1 h TYR 363 Ca -0.24 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.24 1aa1 h TYR 363 Cb 1.07 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.60 1aa1 h TYR 363 CO 0.93 0.03 -0.72 -0.06 -0.00 0.00 0.00 178.16 178.33 1aa1 s PHE 364 N -3.24 0.66 0.18 4.88 0.08 -1.26 -4.90 117.98 114.39 1aa1 s PHE 364 Ca 0.06 -0.57 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 1aa1 s PHE 364 Cb 0.06 -0.40 -0.08 0.00 -0.57 0.00 0.00 43.02 42.03 1aa1 s PHE 364 CO 0.66 -0.11 1.07 0.99 -0.10 0.00 0.00 175.22 177.73 1aa1 s THR 365 N -1.76 3.95 -0.08 0.64 2.01 -1.26 -4.17 115.64 114.98 1aa1 s THR 365 Ca -0.07 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.66 1aa1 s THR 365 Cb -0.07 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1aa1 s THR 365 CO -0.01 0.31 -0.15 -1.58 -0.69 0.00 0.00 174.62 172.50 1aa1 s GLN 366 N -0.45 2.06 0.09 4.92 2.00 0.42 -4.91 119.66 123.78 1aa1 s GLN 366 Ca 0.48 -0.53 0.07 0.00 -2.00 0.00 0.00 55.36 53.38 1aa1 s GLN 366 Cb -0.28 -1.67 -0.04 0.00 0.80 0.00 0.00 33.01 31.82 1aa1 s GLN 366 CO 0.34 0.04 -0.13 -1.12 -0.50 0.00 0.00 175.29 173.92 1aa1 s SER 367 N 0.67 4.17 0.00 6.67 0.01 -1.26 -0.92 113.70 123.03 1aa1 s SER 367 Ca -0.14 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1aa1 s SER 367 Cb -0.16 -0.74 0.02 0.00 0.21 0.00 0.00 66.02 65.36 1aa1 s SER 367 CO 0.04 0.20 0.69 0.79 0.41 0.00 0.00 173.24 175.37 1aa1 n TRP 368 N 0.97 0.02 -4.02 2.43 7.02 0.09 -4.74 117.44 119.22 1aa1 n TRP 368 Ca -0.15 -0.14 -0.33 0.00 -1.02 0.00 0.00 57.50 55.86 1aa1 n TRP 368 Cb 0.52 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 1aa1 n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1aa1 n VAL 369 N -0.02 -1.55 -1.19 -0.99 0.24 -1.26 -1.17 118.33 112.38 1aa1 n VAL 369 Ca 0.01 -0.45 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 1aa1 n VAL 369 Cb 0.11 -1.37 -0.03 0.00 -1.47 0.00 0.00 33.84 31.08 1aa1 n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1aa1 n SER 370 N -1.93 -4.44 -4.71 -1.34 7.64 -1.26 -4.99 113.62 102.58 1aa1 n SER 370 Ca -0.17 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.45 1aa1 n SER 370 Cb 0.52 -2.53 -0.03 0.00 -1.01 0.00 0.00 64.21 61.16 1aa1 n SER 370 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1aa1 s THR 371 N -2.03 3.48 0.74 0.44 2.01 -0.32 -4.95 115.64 115.01 1aa1 s THR 371 Ca 0.00 1.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.89 1aa1 s THR 371 Cb 0.00 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1aa1 s THR 371 CO 0.00 0.07 0.70 -2.65 -0.69 0.00 0.00 174.62 172.06 1aa1 n PRO 372 N 4.09 0.31 -2.39 4.92 -0.02 -1.26 -4.91 135.00 135.75 1aa1 n PRO 372 Ca 0.11 0.15 -0.27 0.00 -2.02 0.00 0.00 63.50 61.47 1aa1 n PRO 372 Cb 0.43 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1aa1 n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1aa1 s GLY 373 N -1.61 1.58 -0.09 -1.23 0.00 -1.26 -4.66 107.32 100.06 1aa1 s GLY 373 Ca 0.68 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.82 1aa1 s GLY 373 CO 0.56 -0.33 -0.11 0.14 0.00 0.00 0.00 173.10 173.36 1aa1 s VAL 374 N -2.97 3.28 -0.18 1.40 1.01 0.73 -2.05 120.40 121.62 1aa1 s VAL 374 Ca 0.53 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1aa1 s VAL 374 Cb -0.11 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1aa1 s VAL 374 CO 0.46 0.56 1.21 -0.22 0.00 0.00 0.00 175.10 177.11 1aa1 s LEU 375 N -0.31 4.16 0.29 3.92 2.96 -0.36 -4.17 118.68 125.17 1aa1 s LEU 375 Ca 0.03 1.62 -0.28 0.00 -0.22 0.00 0.00 54.13 55.28 1aa1 s LEU 375 Cb -0.13 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 1aa1 s LEU 375 CO 0.03 -0.74 0.97 -2.16 -1.32 0.00 0.00 176.35 173.12 1aa1 s PRO 376 N 3.43 4.68 -0.27 0.98 0.04 -1.26 -1.88 135.00 140.71 1aa1 s PRO 376 Ca 0.52 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 1aa1 s PRO 376 Cb -0.20 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1aa1 s PRO 376 CO 0.13 0.34 -0.00 0.08 0.04 0.00 0.00 177.00 177.59 1aa1 s VAL 377 N -1.39 3.31 -0.14 -0.36 1.01 0.06 -1.03 120.40 121.86 1aa1 s VAL 377 Ca 0.46 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1aa1 s VAL 377 Cb -0.23 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1aa1 s VAL 377 CO 0.29 0.15 0.51 0.00 0.00 0.00 0.00 175.10 176.05 1aa1 s ALA 378 N 1.39 3.49 0.09 5.51 0.00 0.59 -1.50 121.76 131.33 1aa1 s ALA 378 Ca 0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 1aa1 s ALA 378 Cb -0.17 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1aa1 s ALA 378 CO -0.02 -0.16 0.38 0.45 0.00 0.00 0.00 175.76 176.41 1aa1 s SER 379 N 0.82 -0.21 0.00 0.00 0.15 -1.25 -0.60 113.70 112.60 1aa1 s SER 379 Ca 0.26 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1aa1 s SER 379 Cb -0.15 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1aa1 s SER 379 CO 0.10 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1aa1 n GLY 380 N 0.05 1.91 2.30 9.45 0.00 -1.26 -3.92 105.19 113.72 1aa1 n GLY 380 Ca -0.17 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 1aa1 n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aa1 n GLY 381 N 0.01 0.40 3.89 -0.02 0.00 -1.26 -4.94 105.19 103.27 1aa1 n GLY 381 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1aa1 n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aa1 s ILE 382 N -2.53 4.96 0.32 -0.61 -4.36 -1.26 -5.03 121.20 112.68 1aa1 s ILE 382 Ca 0.00 0.27 -0.02 0.00 -0.26 0.00 0.00 60.65 60.63 1aa1 s ILE 382 Cb 0.00 -3.70 -0.01 0.00 1.25 0.00 0.00 42.46 40.00 1aa1 s ILE 382 CO 0.00 -0.29 0.42 -1.38 0.24 0.00 0.00 174.94 173.93 1aa1 s HIS 383 N -2.06 1.07 0.31 1.37 -3.43 -1.26 -4.20 115.29 107.09 1aa1 s HIS 383 Ca 0.46 -1.28 0.13 0.00 -0.80 0.00 0.00 55.06 53.57 1aa1 s HIS 383 Cb -0.11 -0.17 1.03 0.00 -1.43 0.00 0.00 32.58 31.90 1aa1 s HIS 383 CO 0.28 -1.04 1.41 1.33 -2.00 0.00 0.00 174.74 174.71 1aa1 n VAL 384 N -0.52 -0.37 0.30 -5.38 0.24 -1.26 -0.59 118.33 110.74 1aa1 n VAL 384 Ca 0.02 1.86 0.15 0.00 -2.04 0.00 0.00 64.34 64.32 1aa1 n VAL 384 Cb 0.62 -2.92 0.69 0.00 -1.47 0.00 0.00 33.84 30.76 1aa1 n VAL 384 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 1aa1 h TRP 385 N 0.00 0.00 0.00 6.34 4.06 -1.97 -2.16 115.95 122.22 1aa1 h TRP 385 Ca 0.69 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.64 1aa1 h TRP 385 Cb 1.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.87 1aa1 h TRP 385 CO -0.16 0.00 -0.49 0.72 -3.56 0.00 0.00 178.44 174.95 1aa1 n HIS 386 N -2.59 0.07 -0.20 0.49 8.25 0.24 -4.47 115.22 117.01 1aa1 n HIS 386 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1aa1 n HIS 386 Cb 0.17 -0.31 0.09 0.00 1.12 0.00 0.00 29.99 31.06 1aa1 n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1aa1 h MET 387 N 0.00 0.10 -0.77 -0.41 -1.53 -1.49 -0.61 114.93 110.22 1aa1 h MET 387 Ca 0.00 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.23 1aa1 h MET 387 Cb 0.53 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.53 1aa1 h MET 387 CO 0.00 0.06 0.40 -1.35 0.14 0.00 0.00 176.91 176.16 1aa1 h PRO 388 N 0.10 1.08 -0.31 0.39 0.11 -1.81 -1.42 132.00 130.14 1aa1 h PRO 388 Ca 0.31 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1aa1 h PRO 388 Cb 0.50 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1aa1 h PRO 388 CO -0.53 0.82 0.08 0.00 -0.21 0.00 0.00 178.00 178.16 1aa1 h ALA 389 N 1.20 0.40 -0.56 -0.75 0.00 -1.67 -1.56 119.26 116.33 1aa1 h ALA 389 Ca 0.27 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1aa1 h ALA 389 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1aa1 h ALA 389 CO -0.04 0.05 0.07 -0.07 0.00 0.00 0.00 179.25 179.26 1aa1 h LEU 390 N 0.33 0.90 -0.51 0.00 3.38 -0.97 -0.56 115.31 117.88 1aa1 h LEU 390 Ca 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1aa1 h LEU 390 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1aa1 h LEU 390 CO -0.00 0.95 0.20 0.74 0.09 0.00 0.00 178.44 180.41 1aa1 h THR 391 N 0.82 1.22 -0.04 0.22 2.02 -1.22 -1.10 112.91 114.83 1aa1 h THR 391 Ca 0.17 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1aa1 h THR 391 Cb 0.44 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1aa1 h THR 391 CO 0.02 0.26 0.02 -0.08 0.37 0.00 0.00 175.52 176.10 1aa1 h GLU 392 N 0.68 0.06 -0.09 6.66 4.57 -1.11 0.16 114.58 125.50 1aa1 h GLU 392 Ca 0.17 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1aa1 h GLU 392 Cb 0.21 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1aa1 h GLU 392 CO -0.01 0.19 -0.27 0.82 -1.18 0.00 0.00 179.01 178.55 1aa1 h ILE 393 N -0.09 1.41 0.03 2.32 2.04 -1.02 -3.36 117.51 118.83 1aa1 h ILE 393 Ca 0.01 -1.62 -0.30 0.00 1.00 0.00 0.00 64.86 63.95 1aa1 h ILE 393 Cb 0.15 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 1aa1 h ILE 393 CO -0.00 0.47 -1.74 -0.26 0.00 0.00 0.00 178.15 176.61 1aa1 h PHE 394 N -0.12 0.11 0.00 1.37 0.04 -1.30 -3.50 116.94 113.54 1aa1 h PHE 394 Ca -0.01 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1aa1 h PHE 394 Cb 0.89 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.04 1aa1 h PHE 394 CO 0.12 1.16 0.00 0.41 -0.60 0.00 0.00 178.31 179.40 1aa1 n GLY 395 N 1.64 -1.91 0.30 -1.45 0.00 0.04 -4.42 105.19 99.39 1aa1 n GLY 395 Ca -0.19 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 1aa1 n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aa1 h ASP 396 N 0.00 0.95 -1.09 1.61 3.32 -1.89 -3.38 116.42 115.94 1aa1 h ASP 396 Ca 0.00 -0.25 -0.70 0.00 0.02 0.00 0.00 57.03 56.10 1aa1 h ASP 396 Cb 0.00 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 39.19 1aa1 h ASP 396 CO 0.00 0.99 2.12 0.47 -1.72 0.00 0.00 179.24 181.10 1aa1 n ASP 397 N -4.20 4.87 -3.60 6.45 8.00 -1.26 -3.05 116.55 123.77 1aa1 n ASP 397 Ca 0.03 -2.93 -0.08 0.00 0.71 0.00 0.00 54.79 52.52 1aa1 n ASP 397 Cb 0.32 -1.68 -0.02 0.00 -0.02 0.00 0.00 41.12 39.72 1aa1 n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1aa1 s SER 398 N 3.56 -0.36 -0.15 -2.24 1.04 -1.26 -4.33 113.70 109.96 1aa1 s SER 398 Ca 0.50 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.74 1aa1 s SER 398 Cb 0.04 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.71 1aa1 s SER 398 CO 0.03 -0.93 -0.21 -0.69 0.98 0.00 0.00 173.24 172.43 1aa1 s VAL 399 N -3.50 2.02 -0.28 5.02 1.01 -0.19 -0.93 120.40 123.55 1aa1 s VAL 399 Ca 0.07 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1aa1 s VAL 399 Cb -0.02 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1aa1 s VAL 399 CO -0.05 0.54 0.16 -0.76 0.00 0.00 0.00 175.10 175.00 1aa1 s LEU 400 N 0.94 3.93 -0.25 3.92 1.43 0.12 -0.30 118.68 128.48 1aa1 s LEU 400 Ca -0.04 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1aa1 s LEU 400 Cb -0.15 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1aa1 s LEU 400 CO -0.05 -0.07 0.14 -1.58 0.23 0.00 0.00 176.35 175.02 1aa1 s GLN 401 N 1.71 3.94 -0.51 1.70 2.00 0.23 -0.87 119.66 127.86 1aa1 s GLN 401 Ca 0.07 -0.33 0.04 0.00 -2.00 0.00 0.00 55.36 53.13 1aa1 s GLN 401 Cb -0.16 -3.50 0.13 0.00 0.80 0.00 0.00 33.01 30.28 1aa1 s GLN 401 CO 0.09 -0.04 0.25 -0.06 -0.50 0.00 0.00 175.29 175.03 1aa1 s PHE 402 N 1.31 3.09 0.00 1.67 0.08 0.42 -4.34 117.98 120.21 1aa1 s PHE 402 Ca 0.07 -3.11 0.00 0.00 0.12 0.00 0.00 56.93 54.00 1aa1 s PHE 402 Cb -0.14 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 1aa1 s PHE 402 CO 0.06 -0.75 0.09 0.41 -0.10 0.00 0.00 175.22 174.94 1aa1 n GLY 403 N 3.16 0.42 0.31 4.36 0.00 -1.26 -3.29 105.19 108.89 1aa1 n GLY 403 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.26 1aa1 n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aa1 h GLY 404 N 0.00 0.00 2.00 -0.02 0.00 -1.90 -1.08 103.07 102.06 1aa1 h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aa1 h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1aa1 n GLY 405 N -0.93 -1.12 0.66 4.60 0.00 -1.26 -1.42 105.19 105.72 1aa1 n GLY 405 Ca -0.02 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1aa1 n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aa1 n THR 406 N -1.94 0.73 0.86 2.61 -1.04 -0.48 -4.65 114.28 110.37 1aa1 n THR 406 Ca 0.02 -0.07 0.09 0.00 -2.04 0.00 0.00 64.05 62.05 1aa1 n THR 406 Cb 0.19 -1.69 0.45 0.00 -1.82 0.00 0.00 70.33 67.46 1aa1 n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1aa1 n LEU 407 N -3.56 0.00 -0.74 -4.42 4.77 -0.79 -2.41 117.00 109.85 1aa1 n LEU 407 Ca -0.19 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 1aa1 n LEU 407 Cb 0.58 -0.26 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1aa1 n LEU 407 CO 0.02 -0.11 0.57 0.61 -1.33 0.00 0.00 177.39 177.15 1aa1 n GLY 408 N 0.19 1.06 3.76 -0.72 0.00 -0.51 -4.87 105.19 104.10 1aa1 n GLY 408 Ca 0.09 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1aa1 n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1aa1 s HIS 409 N -1.22 3.14 0.46 1.61 5.04 -1.01 -4.92 115.29 118.39 1aa1 s HIS 409 Ca 0.24 1.40 0.16 0.00 -1.54 0.00 0.00 55.06 55.32 1aa1 s HIS 409 Cb 0.15 -3.63 1.12 0.00 0.04 0.00 0.00 32.58 30.26 1aa1 s HIS 409 CO 0.21 -1.76 1.99 -1.00 -2.34 0.00 0.00 174.74 171.84 1aa1 h PRO 410 N 3.79 0.29 -0.01 2.88 0.13 -1.91 -2.27 132.00 134.91 1aa1 h PRO 410 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1aa1 h PRO 410 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1aa1 h PRO 410 CO 0.68 0.19 -0.32 0.91 -0.23 0.00 0.00 178.00 179.23 1aa1 n TRP 411 N -4.46 0.00 0.00 1.56 8.01 -1.26 -5.07 117.44 116.23 1aa1 n TRP 411 Ca 0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 1aa1 n TRP 411 Cb 0.42 -0.17 0.00 0.00 -2.01 0.00 0.00 31.31 29.56 1aa1 n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1aa1 n GLY 412 N 1.39 0.87 0.09 6.99 0.00 -0.86 -4.75 105.19 108.92 1aa1 n GLY 412 Ca 0.10 -2.30 -0.10 0.00 0.00 0.00 0.00 46.02 43.72 1aa1 n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1aa1 h ASN 413 N 0.00 0.03 0.37 1.61 2.35 -1.85 -1.33 115.58 116.76 1aa1 h ASN 413 Ca 0.00 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1aa1 h ASN 413 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1aa1 h ASN 413 CO 0.00 0.04 -0.18 0.00 -1.65 0.00 0.00 177.43 175.64 1aa1 h ALA 414 N 1.09 -0.51 0.00 -0.83 0.00 -1.80 0.68 119.26 117.90 1aa1 h ALA 414 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1aa1 h ALA 414 Cb 0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1aa1 h ALA 414 CO -0.07 -0.79 -0.20 -1.35 0.00 0.00 0.00 179.25 176.84 1aa1 h PRO 415 N -0.51 0.00 -0.60 0.00 0.11 -1.85 0.06 132.00 129.21 1aa1 h PRO 415 Ca -0.05 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1aa1 h PRO 415 Cb 0.39 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1aa1 h PRO 415 CO 0.08 0.20 0.05 0.78 -0.21 0.00 0.00 178.00 178.90 1aa1 h GLY 416 N 0.84 1.10 0.93 -0.55 0.00 -0.78 -0.43 103.07 104.19 1aa1 h GLY 416 Ca -0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 47.33 46.46 1aa1 h GLY 416 CO 0.03 0.70 -0.27 0.00 0.00 0.00 0.00 176.54 177.00 1aa1 h ALA 417 N 1.09 0.39 -0.65 3.60 0.00 0.02 -2.76 119.26 120.95 1aa1 h ALA 417 Ca 0.18 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1aa1 h ALA 417 Cb 0.48 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1aa1 h ALA 417 CO 0.02 0.38 0.41 0.28 0.00 0.00 0.00 179.25 180.35 1aa1 h VAL 418 N 0.37 1.11 -0.60 0.00 2.07 -0.72 -0.32 116.25 118.16 1aa1 h VAL 418 Ca 0.04 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1aa1 h VAL 418 Cb 0.83 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1aa1 h VAL 418 CO 0.07 0.15 0.39 0.00 0.02 0.00 0.00 177.57 178.20 1aa1 h ALA 419 N 1.26 0.77 -0.47 1.67 0.00 -1.01 0.78 119.26 122.26 1aa1 h ALA 419 Ca 0.25 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1aa1 h ALA 419 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1aa1 h ALA 419 CO -0.08 0.17 -0.13 -0.91 0.00 0.00 0.00 179.25 178.29 1aa1 h ASN 420 N 0.79 0.93 -0.30 0.00 -0.26 -1.15 -0.82 115.58 114.78 1aa1 h ASN 420 Ca 0.23 -0.37 -0.06 0.00 -0.56 0.00 0.00 56.30 55.54 1aa1 h ASN 420 Cb -0.05 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.94 1aa1 h ASN 420 CO -0.07 1.09 -0.05 -0.09 -1.06 0.00 0.00 177.43 177.25 1aa1 h ARG 421 N 0.77 0.57 -0.09 0.81 9.65 -0.81 -1.72 114.38 123.56 1aa1 h ARG 421 Ca 0.12 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1aa1 h ARG 421 Cb 0.68 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1aa1 h ARG 421 CO 0.05 0.74 0.03 0.28 2.80 0.00 0.00 179.97 183.87 1aa1 h VAL 422 N 0.34 1.15 -0.52 0.20 2.07 -0.80 -0.89 116.25 117.80 1aa1 h VAL 422 Ca 0.08 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.23 1aa1 h VAL 422 Cb 0.52 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 1aa1 h VAL 422 CO 0.02 0.13 0.15 0.00 0.02 0.00 0.00 177.57 177.90 1aa1 h ALA 423 N 0.86 0.62 0.08 1.67 0.00 -1.13 0.11 119.26 121.48 1aa1 h ALA 423 Ca 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1aa1 h ALA 423 Cb 0.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1aa1 h ALA 423 CO -0.00 -0.26 -0.04 1.25 0.00 0.00 0.00 179.25 180.20 1aa1 h LEU 424 N 0.31 -0.09 -1.53 0.00 5.85 -1.14 -1.76 115.31 116.95 1aa1 h LEU 424 Ca 0.26 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1aa1 h LEU 424 Cb 0.32 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1aa1 h LEU 424 CO -0.30 0.05 0.01 -0.33 -0.34 0.00 0.00 178.44 177.54 1aa1 h GLU 425 N -0.23 0.31 -0.42 1.25 5.08 -0.77 -0.04 114.58 119.76 1aa1 h GLU 425 Ca -0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1aa1 h GLU 425 Cb 0.19 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1aa1 h GLU 425 CO 0.02 0.33 0.11 0.00 -1.00 0.00 0.00 179.01 178.47 1aa1 h ALA 426 N 1.71 0.55 -0.55 3.43 0.00 -0.55 -0.56 119.26 123.29 1aa1 h ALA 426 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1aa1 h ALA 426 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1aa1 h ALA 426 CO 0.00 0.22 0.02 0.00 0.00 0.00 0.00 179.25 179.49 1aa1 h VAL 428 N 0.84 1.11 -0.38 0.00 2.07 -0.82 -0.73 116.25 118.34 1aa1 h VAL 428 Ca 0.16 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1aa1 h VAL 428 Cb 0.51 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1aa1 h VAL 428 CO 0.02 0.09 0.20 -0.61 0.02 0.00 0.00 177.57 177.29 1aa1 h GLN 429 N -0.04 0.39 -0.38 1.57 4.15 -1.05 -0.00 115.11 119.74 1aa1 h GLN 429 Ca 0.02 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1aa1 h GLN 429 Cb 0.12 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1aa1 h GLN 429 CO -0.00 0.26 0.22 0.00 -1.93 0.00 0.00 178.83 177.38 1aa1 h ALA 430 N 1.20 0.48 -0.38 3.38 0.00 -1.22 -0.19 119.26 122.52 1aa1 h ALA 430 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1aa1 h ALA 430 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1aa1 h ALA 430 CO -0.11 -0.11 0.25 -0.09 0.00 0.00 0.00 179.25 179.19 1aa1 h ARG 431 N 0.46 0.50 0.00 0.00 2.43 -0.74 -0.13 114.38 116.89 1aa1 h ARG 431 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1aa1 h ARG 431 Cb 0.01 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1aa1 h ARG 431 CO -0.07 0.33 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.65 1aa1 h ASN 432 N 0.51 0.00 0.27 -3.80 -0.26 -0.58 -0.77 115.58 110.96 1aa1 h ASN 432 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1aa1 h ASN 432 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1aa1 h ASN 432 CO -0.03 0.16 -0.04 -0.62 -1.06 0.00 0.00 177.43 175.83 1aa1 n GLU 433 N -4.17 0.80 -0.07 0.81 1.02 -0.12 -4.91 120.64 114.01 1aa1 n GLU 433 Ca -0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1aa1 n GLU 433 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1aa1 n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aa1 n GLY 434 N 1.19 0.72 3.78 0.62 0.00 -0.29 -5.07 105.19 106.13 1aa1 n GLY 434 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1aa1 n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aa1 s ARG 435 N -0.93 3.96 -0.37 1.61 0.52 -0.12 -4.99 118.95 118.63 1aa1 s ARG 435 Ca 0.00 1.58 -0.24 0.00 -0.52 0.00 0.00 55.73 56.55 1aa1 s ARG 435 Cb 0.00 -2.42 0.01 0.00 0.52 0.00 0.00 34.95 33.06 1aa1 s ARG 435 CO 0.00 -0.34 0.85 0.34 0.02 0.00 0.00 175.30 176.17 1aa1 s ASP 436 N -1.56 6.60 0.41 0.23 -1.08 -1.26 -4.36 116.67 115.65 1aa1 s ASP 436 Ca 0.61 0.43 0.15 0.00 -0.52 0.00 0.00 52.55 53.22 1aa1 s ASP 436 Cb -0.23 -2.43 0.87 0.00 -1.46 0.00 0.00 42.92 39.67 1aa1 s ASP 436 CO 0.29 -0.80 1.90 -0.07 0.52 0.00 0.00 175.17 177.01 1aa1 h LEU 437 N 9.92 0.00 -0.11 -1.34 3.38 -1.92 0.14 115.31 125.38 1aa1 h LEU 437 Ca -0.24 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 1aa1 h LEU 437 Cb 1.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.84 1aa1 h LEU 437 CO 0.95 0.29 -0.55 0.00 0.09 0.00 0.00 178.44 179.21 1aa1 h ALA 438 N 1.71 0.22 0.00 1.53 0.00 -1.91 -2.34 119.26 118.48 1aa1 h ALA 438 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1aa1 h ALA 438 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1aa1 h ALA 438 CO 0.04 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 179.69 1aa1 h ARG 439 N 0.20 0.02 -0.43 0.00 3.08 -1.90 -3.40 114.38 111.95 1aa1 h ARG 439 Ca -0.04 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 59.75 1aa1 h ARG 439 Cb 1.19 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 31.11 1aa1 h ARG 439 CO 0.11 0.89 -0.03 -0.85 -1.07 0.00 0.00 179.97 179.02 1aa1 n GLU 440 N -4.64 1.92 0.09 0.04 0.28 0.47 -4.80 120.64 114.00 1aa1 n GLU 440 Ca -0.10 -3.21 -0.12 0.00 -0.16 0.00 0.00 57.16 53.57 1aa1 n GLU 440 Cb 0.44 -1.87 -0.05 0.00 1.43 0.00 0.00 31.44 31.39 1aa1 n GLU 440 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1aa1 h GLY 441 N 1.05 -0.47 0.91 -1.84 0.00 -1.57 -1.67 103.07 99.47 1aa1 h GLY 441 Ca 0.27 0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.97 1aa1 h GLY 441 CO 0.49 -0.22 0.60 3.43 0.00 0.00 0.00 176.54 180.83 1aa1 h ASN 442 N -0.46 0.95 -0.62 0.19 4.21 -1.87 -1.56 115.58 116.43 1aa1 h ASN 442 Ca 0.04 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 1aa1 h ASN 442 Cb 0.50 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.47 1aa1 h ASN 442 CO -0.18 0.63 0.32 0.74 -1.29 0.00 0.00 177.43 177.65 1aa1 h THR 443 N 1.09 1.21 -0.67 2.81 2.02 -1.83 0.04 112.91 117.58 1aa1 h THR 443 Ca 0.38 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1aa1 h THR 443 Cb 0.11 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1aa1 h THR 443 CO -0.13 0.23 0.41 0.40 0.37 0.00 0.00 175.52 176.80 1aa1 h ILE 444 N 0.84 1.19 0.09 3.11 2.04 -0.37 -0.23 117.51 124.18 1aa1 h ILE 444 Ca 0.21 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1aa1 h ILE 444 Cb 0.08 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1aa1 h ILE 444 CO -0.03 0.20 -0.04 0.40 0.00 0.00 0.00 178.15 178.68 1aa1 h ILE 445 N 0.91 1.13 -0.97 -0.67 1.08 -1.01 -2.81 117.51 115.17 1aa1 h ILE 445 Ca 0.24 -0.86 0.09 0.00 -0.39 0.00 0.00 64.86 63.94 1aa1 h ILE 445 Cb -0.03 1.68 -0.07 0.00 -3.07 0.00 0.00 36.82 35.33 1aa1 h ILE 445 CO -0.05 0.21 0.62 0.03 -0.69 0.00 0.00 178.15 178.28 1aa1 h ARG 446 N -0.52 1.01 -0.94 2.37 3.08 -0.88 -0.54 114.38 117.96 1aa1 h ARG 446 Ca -0.01 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1aa1 h ARG 446 Cb 0.43 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 1aa1 h ARG 446 CO 0.02 0.67 0.61 0.93 -1.07 0.00 0.00 179.97 181.13 1aa1 h GLU 447 N 1.04 1.15 0.00 0.04 5.08 -0.98 -2.27 114.58 118.64 1aa1 h GLU 447 Ca 0.45 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.64 1aa1 h GLU 447 Cb 0.33 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1aa1 h GLU 447 CO -0.20 0.76 -0.45 0.00 -1.00 0.00 0.00 179.01 178.12 1aa1 h ALA 448 N 1.39 1.11 0.00 3.43 0.00 -0.85 -2.92 119.26 121.42 1aa1 h ALA 448 Ca 0.38 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1aa1 h ALA 448 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1aa1 h ALA 448 CO -0.13 0.56 -0.19 1.79 0.00 0.00 0.00 179.25 181.29 1aa1 h THR 449 N 0.00 0.82 0.00 0.00 1.35 -0.78 -0.82 112.91 113.48 1aa1 h THR 449 Ca -0.00 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1aa1 h THR 449 Cb 0.87 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1aa1 h THR 449 CO 0.06 0.18 -0.04 0.11 -0.25 0.00 0.00 175.52 175.58 1aa1 h LYS 450 N 0.00 0.00 0.00 4.72 1.79 -1.48 -3.05 116.57 118.55 1aa1 h LYS 450 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1aa1 h LYS 450 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1aa1 h LYS 450 CO 0.02 0.04 0.00 -2.67 -1.08 0.00 0.00 179.45 175.76 1aa1 n TRP 451 N -3.38 0.00 -3.97 -1.35 4.27 -0.83 -4.95 117.44 107.23 1aa1 n TRP 451 Ca -0.02 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.26 1aa1 n TRP 451 Cb 0.16 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 29.97 1aa1 n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1aa1 s SER 452 N -0.69 4.83 0.25 -0.67 0.15 -0.38 -4.97 113.70 112.22 1aa1 s SER 452 Ca 0.00 -1.95 -0.06 0.00 0.70 0.00 0.00 55.95 54.64 1aa1 s SER 452 Cb 0.00 -1.66 0.27 0.00 -1.71 0.00 0.00 66.02 62.92 1aa1 s SER 452 CO 0.00 -0.37 1.93 -0.65 1.20 0.00 0.00 173.24 175.35 1aa1 h PRO 453 N 7.75 1.31 -0.37 5.44 0.11 -1.88 0.17 132.00 144.52 1aa1 h PRO 453 Ca -0.09 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 65.96 1aa1 h PRO 453 Cb 1.03 -0.29 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1aa1 h PRO 453 CO 0.55 0.87 0.19 0.93 -0.21 0.00 0.00 178.00 180.33 1aa1 h GLU 454 N 1.35 0.38 -0.40 1.05 3.07 -1.93 0.16 114.58 118.25 1aa1 h GLU 454 Ca 0.36 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 59.07 1aa1 h GLU 454 Cb -0.15 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 1aa1 h GLU 454 CO -0.08 0.25 -0.24 1.25 -1.40 0.00 0.00 179.01 178.79 1aa1 h LEU 455 N 0.39 0.91 -0.49 1.33 5.85 -1.74 -2.42 115.31 119.14 1aa1 h LEU 455 Ca 0.16 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1aa1 h LEU 455 Cb 0.05 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1aa1 h LEU 455 CO -0.10 1.14 0.24 0.00 -0.34 0.00 0.00 178.44 179.37 1aa1 h ALA 456 N 0.81 0.62 -0.80 1.25 0.00 -0.51 0.07 119.26 120.70 1aa1 h ALA 456 Ca 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1aa1 h ALA 456 Cb 0.82 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1aa1 h ALA 456 CO 0.07 -0.12 0.46 0.00 0.00 0.00 0.00 179.25 179.66 1aa1 h ALA 457 N 1.28 1.31 -0.15 0.00 0.00 -0.88 -1.62 119.26 119.20 1aa1 h ALA 457 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1aa1 h ALA 457 Cb 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1aa1 h ALA 457 CO -0.17 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.64 1aa1 h ALA 458 N 1.40 0.21 -0.13 0.00 0.00 -0.80 -2.93 119.26 117.01 1aa1 h ALA 458 Ca 0.29 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1aa1 h ALA 458 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1aa1 h ALA 458 CO -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.23 1aa1 h GLU 460 N 0.12 0.48 0.24 0.00 4.39 -1.13 -3.24 114.58 115.44 1aa1 h GLU 460 Ca 0.05 -0.22 -0.33 0.00 0.34 0.00 0.00 59.36 59.20 1aa1 h GLU 460 Cb 0.06 -0.01 0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1aa1 h GLU 460 CO -0.01 0.77 -1.46 0.28 -1.16 0.00 0.00 179.01 177.43 1aa1 h VAL 461 N 0.40 1.27 0.05 3.13 2.07 -1.14 -3.42 116.25 118.60 1aa1 h VAL 461 Ca 0.04 -2.67 -0.35 0.00 0.82 0.00 0.00 66.70 64.55 1aa1 h VAL 461 Cb 0.82 3.03 -0.04 0.00 -1.52 0.00 0.00 31.29 33.58 1aa1 h VAL 461 CO 0.07 0.81 -2.03 0.79 0.02 0.00 0.00 177.57 177.23 1aa1 n TRP 462 N -3.74 0.82 0.81 1.57 8.01 -0.72 -5.13 117.44 119.05 1aa1 n TRP 462 Ca -0.18 0.22 0.06 0.00 -1.31 0.00 0.00 57.50 56.30 1aa1 n TRP 462 Cb 1.08 -1.13 0.38 0.00 -2.01 0.00 0.00 31.31 29.64 1aa1 n TRP 462 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85