#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upp s SER 10 N 0.00 1.48 0.04 0.00 1.04 -1.26 -5.16 113.70 109.84 1upp s SER 10 Ca 0.00 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1upp s SER 10 Cb 0.00 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1upp s SER 10 CO 0.00 -0.05 -0.10 -0.69 0.98 0.00 0.00 173.24 173.38 1upp s VAL 11 N -1.08 0.73 0.93 5.02 1.01 -1.26 -5.15 120.40 120.59 1upp s VAL 11 Ca -0.02 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1upp s VAL 11 Cb -0.09 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.67 1upp s VAL 11 CO 0.01 -0.19 0.81 -0.62 0.00 0.00 0.00 175.10 175.12 1upp n GLU 12 N 1.79 -0.36 -3.28 2.72 1.02 -1.26 -4.93 120.64 116.34 1upp n GLU 12 Ca -0.20 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.50 1upp n GLU 12 Cb 0.55 -2.14 -0.08 0.00 -0.02 0.00 0.00 31.44 29.75 1upp n GLU 12 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1upp s PHE 13 N -2.50 3.28 -0.36 -0.32 5.36 -1.26 -5.03 117.98 117.14 1upp s PHE 13 Ca 0.63 0.60 0.02 0.00 -0.96 0.00 0.00 56.93 57.22 1upp s PHE 13 Cb -0.23 -2.67 0.10 0.00 -0.34 0.00 0.00 43.02 39.89 1upp s PHE 13 CO 0.62 -0.24 0.09 0.21 -1.46 0.00 0.00 175.22 174.44 1upp s LYS 14 N 2.14 1.61 0.90 10.12 2.20 -1.26 -5.09 119.74 130.36 1upp s LYS 14 Ca 0.20 -1.87 -0.11 0.00 -0.36 0.00 0.00 55.97 53.83 1upp s LYS 14 Cb -0.16 -3.30 0.13 0.00 -1.51 0.00 0.00 37.83 33.00 1upp s LYS 14 CO 0.09 -0.97 1.10 0.00 -0.36 0.00 0.00 175.35 175.21 1upp s ALA 15 N 0.95 1.45 0.00 3.13 0.00 -1.26 -4.82 121.76 121.21 1upp s ALA 15 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1upp s ALA 15 Cb -0.20 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1upp s ALA 15 CO -0.07 -2.51 0.00 0.41 0.00 0.00 0.00 175.76 173.59 1upp n GLY 16 N -0.53 2.31 3.91 0.00 0.00 -1.26 -4.94 105.19 104.68 1upp n GLY 16 Ca 0.08 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1upp n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upp s VAL 17 N -2.22 5.15 0.12 1.61 0.11 -1.26 -1.62 120.40 122.29 1upp s VAL 17 Ca 0.00 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1upp s VAL 17 Cb 0.00 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 1upp s VAL 17 CO 0.00 -0.15 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.07 1upp s LYS 18 N -3.20 0.90 0.36 1.54 1.02 -1.26 -4.98 119.74 114.12 1upp s LYS 18 Ca 0.41 -1.40 -0.28 0.00 0.02 0.00 0.00 55.97 54.71 1upp s LYS 18 Cb -0.11 -0.05 -0.11 0.00 -0.52 0.00 0.00 37.83 37.04 1upp s LYS 18 CO 0.28 -0.13 1.48 -0.51 -0.92 0.00 0.00 175.35 175.56 1upp s ASP 19 N -3.06 6.38 0.28 2.83 1.01 -1.26 -4.93 116.67 117.91 1upp s ASP 19 Ca 0.18 3.01 -0.03 0.00 0.71 0.00 0.00 52.55 56.42 1upp s ASP 19 Cb 0.07 -2.66 0.39 0.00 1.01 0.00 0.00 42.92 41.72 1upp s ASP 19 CO -0.01 -0.85 1.89 1.88 0.21 0.00 0.00 175.17 178.28 1upp h TYR 20 N 3.25 1.00 -0.10 4.23 0.05 -1.93 -3.15 116.97 120.32 1upp h TYR 20 Ca -0.50 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.28 1upp h TYR 20 Cb 1.24 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.65 1upp h TYR 20 CO 0.54 0.72 0.08 1.57 -1.05 0.00 0.00 178.16 180.01 1upp h LYS 21 N 1.01 0.00 -1.05 4.88 2.10 -1.85 0.29 116.57 121.94 1upp h LYS 21 Ca 0.25 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 59.18 1upp h LYS 21 Cb 0.07 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.32 1upp h LYS 21 CO -0.04 0.00 0.71 -0.07 -2.00 0.00 0.00 179.45 178.05 1upp h LEU 22 N 0.00 0.31 0.00 7.07 3.38 -1.87 -2.59 115.31 121.60 1upp h LEU 22 Ca 0.05 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1upp h LEU 22 Cb 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1upp h LEU 22 CO -0.00 0.06 -1.38 0.41 0.09 0.00 0.00 178.44 177.62 1upp n THR 23 N -4.49 0.39 0.49 0.22 -1.04 0.13 -4.83 114.28 105.15 1upp n THR 23 Ca 0.25 -0.16 0.05 0.00 -2.04 0.00 0.00 64.05 62.14 1upp n THR 23 Cb 0.96 -0.76 -0.04 0.00 -1.82 0.00 0.00 70.33 68.66 1upp n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1upp n TYR 24 N -2.60 0.00 -3.09 -1.42 4.01 0.78 -4.83 117.16 110.01 1upp n TYR 24 Ca -0.11 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.20 1upp n TYR 24 Cb 0.64 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.60 1upp n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1upp s TYR 25 N -1.84 3.06 -0.43 -0.72 5.04 -0.98 -1.24 117.35 120.24 1upp s TYR 25 Ca 0.05 -0.02 0.05 0.00 -2.44 0.00 0.00 57.07 54.71 1upp s TYR 25 Cb 0.08 -3.37 0.19 0.00 0.35 0.00 0.00 41.96 39.20 1upp s TYR 25 CO 0.39 -0.87 0.39 2.41 -1.34 0.00 0.00 175.55 176.52 1upp n THR 26 N 5.87 -0.93 0.30 4.34 -1.04 0.11 -4.84 114.28 118.10 1upp n THR 26 Ca -0.01 -3.63 0.17 0.00 -2.04 0.00 0.00 64.05 58.54 1upp n THR 26 Cb 0.48 -1.74 0.80 0.00 -1.82 0.00 0.00 70.33 68.05 1upp n THR 26 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1upp h PRO 27 N 5.31 0.00 -0.02 -2.82 0.13 -1.75 -3.06 132.00 129.80 1upp h PRO 27 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1upp h PRO 27 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1upp h PRO 27 CO 0.41 0.00 -0.40 0.39 -0.23 0.00 0.00 178.00 178.17 1upp n GLU 28 N -2.85 1.36 -1.75 0.86 -0.58 -1.26 -4.70 120.64 111.72 1upp n GLU 28 Ca -0.00 -1.11 -0.42 0.00 -0.42 0.00 0.00 57.16 55.21 1upp n GLU 28 Cb 0.19 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 1upp n GLU 28 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1upp s TYR 29 N -2.41 2.81 -0.32 -0.32 5.04 -1.15 -4.98 117.35 116.01 1upp s TYR 29 Ca 0.20 0.60 -0.12 0.00 -2.44 0.00 0.00 57.07 55.31 1upp s TYR 29 Cb 0.18 -4.10 -0.02 0.00 0.35 0.00 0.00 41.96 38.37 1upp s TYR 29 CO 0.53 -3.91 0.21 -1.21 -1.34 0.00 0.00 175.55 169.84 1upp s GLU 30 N 0.18 3.59 0.50 4.97 2.02 -1.26 -4.99 118.70 123.71 1upp s GLU 30 Ca 0.68 -0.57 -0.23 0.00 0.02 0.00 0.00 54.97 54.87 1upp s GLU 30 Cb -0.49 -3.73 -0.07 0.00 0.10 0.00 0.00 34.13 29.94 1upp s GLU 30 CO 0.42 -0.37 1.24 0.25 0.02 0.00 0.00 175.26 176.81 1upp n THR 31 N 5.08 3.20 -3.07 3.63 -2.24 -1.26 -5.00 114.28 114.61 1upp n THR 31 Ca -0.13 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 60.86 1upp n THR 31 Cb 0.50 -1.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.20 1upp n THR 31 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1upp s LEU 32 N -2.31 3.91 0.15 3.22 1.43 -1.26 -4.99 118.68 118.83 1upp s LEU 32 Ca 0.67 0.86 0.20 0.00 -1.03 0.00 0.00 54.13 54.83 1upp s LEU 32 Cb -0.46 -3.72 0.84 0.00 0.03 0.00 0.00 46.19 42.88 1upp s LEU 32 CO 0.53 -0.33 1.62 0.47 0.23 0.00 0.00 176.35 178.87 1upp n ASP 33 N -1.34 0.40 -0.32 2.29 8.00 -1.26 -2.05 116.55 122.28 1upp n ASP 33 Ca -0.00 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.21 1upp n ASP 33 Cb 0.54 -0.68 0.18 0.00 -0.02 0.00 0.00 41.12 41.14 1upp n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1upp n THR 34 N -1.94 0.00 -1.81 -3.53 -2.24 -1.26 -4.36 114.28 99.14 1upp n THR 34 Ca 0.03 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 1upp n THR 34 Cb 0.21 0.78 0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1upp n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upp s ASP 35 N -2.56 5.30 -0.18 3.42 1.01 -0.87 -3.61 116.67 119.19 1upp s ASP 35 Ca 0.20 1.91 -0.14 0.00 0.71 0.00 0.00 52.55 55.23 1upp s ASP 35 Cb 0.18 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1upp s ASP 35 CO 0.58 -1.49 0.31 -0.63 0.21 0.00 0.00 175.17 174.14 1upp s ILE 36 N -2.45 5.28 -0.19 0.77 1.09 0.32 -3.92 121.20 122.11 1upp s ILE 36 Ca 0.65 0.56 -0.05 0.00 -1.10 0.00 0.00 60.65 60.71 1upp s ILE 36 Cb -0.18 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.54 1upp s ILE 36 CO 0.42 0.35 -0.00 -0.76 -0.10 0.00 0.00 174.94 174.84 1upp s LEU 37 N 0.76 3.30 0.05 2.97 1.43 -1.03 0.08 118.68 126.25 1upp s LEU 37 Ca 0.16 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1upp s LEU 37 Cb -0.13 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1upp s LEU 37 CO 0.05 0.10 -0.01 0.00 0.23 0.00 0.00 176.35 176.72 1upp s ALA 38 N 0.77 3.24 -0.41 4.21 0.00 0.46 0.16 121.76 130.19 1upp s ALA 38 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 1upp s ALA 38 Cb -0.14 -1.22 0.09 0.00 0.00 0.00 0.00 23.12 21.85 1upp s ALA 38 CO 0.02 0.67 0.22 0.00 0.00 0.00 0.00 175.76 176.67 1upp s ALA 39 N -1.20 3.20 -0.13 0.00 0.00 -0.42 -1.39 121.76 121.83 1upp s ALA 39 Ca 0.23 -2.29 -0.13 0.00 0.00 0.00 0.00 51.96 49.76 1upp s ALA 39 Cb -0.12 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1upp s ALA 39 CO 0.14 -1.69 0.30 -0.06 0.00 0.00 0.00 175.76 174.45 1upp s PHE 40 N 1.30 3.51 -0.56 0.00 0.08 -0.08 0.18 117.98 122.41 1upp s PHE 40 Ca 0.04 0.65 -0.23 0.00 0.12 0.00 0.00 56.93 57.51 1upp s PHE 40 Cb -0.23 -2.31 0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1upp s PHE 40 CO -0.01 0.33 0.90 0.50 -0.10 0.00 0.00 175.22 176.85 1upp s ARG 41 N 0.13 3.27 -0.12 0.44 3.52 0.46 0.25 118.95 126.91 1upp s ARG 41 Ca 0.18 -0.43 -0.02 0.00 -0.13 0.00 0.00 55.73 55.33 1upp s ARG 41 Cb -0.13 -4.08 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 1upp s ARG 41 CO 0.05 -1.50 -0.05 0.08 -0.81 0.00 0.00 175.30 173.08 1upp s VAL 42 N 3.79 3.84 -0.34 7.11 1.01 0.25 -2.01 120.40 134.04 1upp s VAL 42 Ca 0.27 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1upp s VAL 42 Cb -0.14 -2.63 0.10 0.00 0.00 0.00 0.00 36.38 33.71 1upp s VAL 42 CO 0.17 0.54 0.05 -0.44 0.00 0.00 0.00 175.10 175.43 1upp s SER 43 N -0.18 4.71 0.67 3.32 0.01 0.05 -1.92 113.70 120.37 1upp s SER 43 Ca 0.03 -2.12 -0.13 0.00 1.31 0.00 0.00 55.95 55.04 1upp s SER 43 Cb -0.13 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1upp s SER 43 CO 0.03 -0.38 1.07 -2.16 0.41 0.00 0.00 173.24 172.20 1upp s PRO 44 N 0.96 2.91 0.76 12.44 0.04 -1.26 0.42 135.00 151.27 1upp s PRO 44 Ca 0.11 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 1upp s PRO 44 Cb -0.19 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.43 1upp s PRO 44 CO -0.09 -1.13 1.18 -0.65 0.04 0.00 0.00 177.00 176.34 1upp s GLN 45 N -4.59 2.00 -0.10 4.56 -1.52 -0.29 -4.37 119.66 115.35 1upp s GLN 45 Ca 0.61 1.65 -0.40 0.00 -1.95 0.00 0.00 55.36 55.27 1upp s GLN 45 Cb -0.16 -1.83 -0.19 0.00 -0.22 0.00 0.00 33.01 30.61 1upp s GLN 45 CO 0.48 -1.91 1.30 -2.30 -0.25 0.00 0.00 175.29 172.60 1upp n PRO 46 N -3.03 0.40 0.00 2.91 -0.02 -1.26 -2.78 135.00 131.22 1upp n PRO 46 Ca 0.13 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1upp n PRO 46 Cb 0.51 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1upp n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upp n GLY 47 N 2.46 0.15 3.38 -1.23 0.00 -1.26 -5.05 105.19 103.64 1upp n GLY 47 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1upp n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upp s VAL 48 N -2.00 4.31 0.40 1.61 1.01 -1.12 -5.07 120.40 119.53 1upp s VAL 48 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 1upp s VAL 48 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 1upp s VAL 48 CO 0.00 -0.01 1.47 -2.65 0.00 0.00 0.00 175.10 173.91 1upp n PRO 49 N 4.93 2.56 -0.33 2.72 -0.02 -1.26 -4.80 135.00 138.80 1upp n PRO 49 Ca -0.14 0.90 0.12 0.00 -2.02 0.00 0.00 63.50 62.37 1upp n PRO 49 Cb 0.48 -2.66 0.30 0.00 -0.02 0.00 0.00 33.50 31.60 1upp n PRO 49 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1upp h PRO 50 N 2.77 0.64 -0.65 0.52 0.14 -1.97 -0.09 132.00 133.36 1upp h PRO 50 Ca -0.51 -0.04 0.12 0.00 0.14 0.00 0.00 66.00 65.72 1upp h PRO 50 Cb 1.25 -0.15 -0.09 0.00 0.14 0.00 0.00 31.00 32.15 1upp h PRO 50 CO 0.63 0.43 0.17 0.93 0.14 0.00 0.00 178.00 180.30 1upp h GLU 51 N 0.66 0.30 0.17 0.86 3.07 -1.99 0.10 114.58 117.76 1upp h GLU 51 Ca 0.56 -0.02 -0.30 0.00 -0.50 0.00 0.00 59.36 59.10 1upp h GLU 51 Cb 0.89 -0.07 0.02 0.00 -0.84 0.00 0.00 28.75 28.75 1upp h GLU 51 CO -0.41 0.20 -1.35 1.49 -1.40 0.00 0.00 179.01 177.54 1upp h GLU 52 N 0.31 0.36 -0.67 2.33 4.57 -1.54 -1.06 114.58 118.88 1upp h GLU 52 Ca 0.34 -0.62 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 1upp h GLU 52 Cb 0.52 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 1upp h GLU 52 CO -0.41 1.29 0.37 0.00 -1.18 0.00 0.00 179.01 179.08 1upp h ALA 53 N 0.42 0.85 0.12 2.92 0.00 -0.98 0.20 119.26 122.80 1upp h ALA 53 Ca -0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1upp h ALA 53 Cb 2.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1upp h ALA 53 CO 0.23 0.36 -0.06 0.78 0.00 0.00 0.00 179.25 180.56 1upp h GLY 54 N 0.91 -0.17 0.15 0.00 0.00 -0.73 -2.60 103.07 100.63 1upp h GLY 54 Ca 0.24 0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.71 1upp h GLY 54 CO -0.04 -0.06 -0.13 0.00 0.00 0.00 0.00 176.54 176.31 1upp h ALA 55 N 0.57 0.20 -0.34 3.60 0.00 -1.04 -2.02 119.26 120.23 1upp h ALA 55 Ca -0.02 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1upp h ALA 55 Cb 0.24 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1upp h ALA 55 CO 0.03 -0.49 0.06 0.00 0.00 0.00 0.00 179.25 178.85 1upp h ALA 56 N 1.31 0.36 0.11 0.00 0.00 -0.48 0.23 119.26 120.79 1upp h ALA 56 Ca 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1upp h ALA 56 Cb 0.34 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1upp h ALA 56 CO -0.43 -0.34 -0.06 0.28 0.00 0.00 0.00 179.25 178.70 1upp h VAL 57 N 0.18 0.89 -0.66 0.00 2.07 -1.35 -0.63 116.25 116.75 1upp h VAL 57 Ca 0.16 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 1upp h VAL 57 Cb 0.19 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1upp h VAL 57 CO -0.22 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.61 1upp h ALA 58 N 0.73 0.86 -0.15 1.67 0.00 -0.76 -2.47 119.26 119.15 1upp h ALA 58 Ca -0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1upp h ALA 58 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1upp h ALA 58 CO 0.03 0.51 -0.17 0.00 0.00 0.00 0.00 179.25 179.61 1upp h ALA 59 N 1.10 1.44 -0.01 0.00 0.00 -0.12 -2.87 119.26 118.80 1upp h ALA 59 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1upp h ALA 59 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1upp h ALA 59 CO -0.01 0.40 -0.65 0.39 0.00 0.00 0.00 179.25 179.37 1upp n GLU 60 N -4.23 0.60 -0.23 0.00 -0.58 -0.28 0.11 120.64 116.03 1upp n GLU 60 Ca -0.01 -0.47 0.10 0.00 -0.42 0.00 0.00 57.16 56.36 1upp n GLU 60 Cb 0.30 -1.49 0.26 0.00 -0.57 0.00 0.00 31.44 29.94 1upp n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1upp n SER 61 N -0.79 2.81 0.00 1.62 3.41 -0.94 -4.72 113.62 115.01 1upp n SER 61 Ca 0.07 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1upp n SER 61 Cb 0.39 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1upp n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1upp n SER 62 N 1.04 0.00 0.00 4.04 3.41 -1.10 -4.46 113.62 116.55 1upp n SER 62 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1upp n SER 62 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1upp n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1upp n THR 63 N -1.05 0.00 -3.93 6.66 -2.24 -1.04 -4.92 114.28 107.75 1upp n THR 63 Ca 0.00 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.39 1upp n THR 63 Cb 0.00 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1upp n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1upp s GLY 64 N -1.51 1.60 0.00 3.38 0.00 0.31 -5.03 107.32 106.07 1upp s GLY 64 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.18 1upp s GLY 64 CO 0.00 -1.51 0.00 -0.37 0.00 0.00 0.00 173.10 171.22 1upp n THR 65 N -1.30 0.00 1.19 0.90 5.66 -1.26 -4.12 114.28 115.34 1upp n THR 65 Ca -0.05 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.08 1upp n THR 65 Cb 0.59 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 69.76 1upp n THR 65 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1upp n TRP 66 N 0.00 0.00 -3.76 1.09 4.27 -1.26 -4.84 117.44 112.94 1upp n TRP 66 Ca 0.00 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.50 1upp n TRP 66 Cb 0.00 -0.19 -0.07 0.00 -1.36 0.00 0.00 31.31 29.69 1upp n TRP 66 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1upp s THR 67 N -2.66 0.10 0.03 -1.67 -1.32 -1.26 -4.64 115.64 104.21 1upp s THR 67 Ca 0.21 -0.79 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 1upp s THR 67 Cb 0.19 -1.07 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 1upp s THR 67 CO 0.56 -0.44 1.23 -0.89 -2.21 0.00 0.00 174.62 172.87 1upp s THR 68 N -3.08 4.04 -0.14 5.08 2.01 -0.64 -4.97 115.64 117.94 1upp s THR 68 Ca -0.01 1.44 -0.03 0.00 0.31 0.00 0.00 61.69 63.40 1upp s THR 68 Cb 0.01 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1upp s THR 68 CO -0.07 0.07 -0.05 0.68 -0.69 0.00 0.00 174.62 174.57 1upp s VAL 69 N 1.50 3.81 0.43 3.82 -7.23 -1.26 -4.34 120.40 117.14 1upp s VAL 69 Ca 0.59 -0.39 0.16 0.00 -1.81 0.00 0.00 61.98 60.53 1upp s VAL 69 Cb -0.29 -2.65 0.36 0.00 0.56 0.00 0.00 36.38 34.36 1upp s VAL 69 CO 0.27 0.51 1.92 4.11 -0.31 0.00 0.00 175.10 181.61 1upp h TRP 70 N 6.45 0.46 -0.02 2.82 5.08 -1.97 -2.67 115.95 126.10 1upp h TRP 70 Ca -0.34 0.01 0.01 0.00 1.08 0.00 0.00 58.89 59.65 1upp h TRP 70 Cb 1.19 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 27.20 1upp h TRP 70 CO 0.54 0.17 0.05 1.79 -1.28 0.00 0.00 178.44 179.71 1upp h THR 71 N 0.39 0.17 -1.11 0.12 1.35 -2.02 -0.98 112.91 110.83 1upp h THR 71 Ca 0.37 0.00 0.31 0.00 -0.55 0.00 0.00 66.41 66.54 1upp h THR 71 Cb 0.88 0.95 -0.06 0.00 -1.73 0.00 0.00 68.15 68.18 1upp h THR 71 CO -0.11 0.00 0.77 0.44 -0.25 0.00 0.00 175.52 176.37 1upp h ASP 72 N 0.00 0.15 0.70 5.36 3.32 -1.86 -1.31 116.42 122.77 1upp h ASP 72 Ca 0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1upp h ASP 72 Cb 0.11 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1upp h ASP 72 CO -0.00 0.02 0.00 1.23 -1.72 0.00 0.00 179.24 178.77 1upp h GLY 73 N 0.13 0.00 2.00 2.75 0.00 -1.42 -1.84 103.07 104.69 1upp h GLY 73 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1upp h GLY 73 CO -0.11 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.47 1upp n LEU 74 N -2.86 0.80 0.00 3.11 4.77 -0.49 -4.87 117.00 117.46 1upp n LEU 74 Ca 0.00 0.61 -0.03 0.00 -0.03 0.00 0.00 56.01 56.56 1upp n LEU 74 Cb 0.23 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1upp n LEU 74 CO 0.23 -0.29 -0.02 0.41 -1.33 0.00 0.00 177.39 176.39 1upp n THR 75 N -2.29 0.00 -3.53 -5.08 -1.04 -0.69 -5.07 114.28 96.58 1upp n THR 75 Ca 0.05 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.44 1upp n THR 75 Cb 0.38 0.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.87 1upp n THR 75 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1upp s ASN 76 N -1.24 5.96 0.55 8.00 3.84 -1.26 -4.95 114.94 125.85 1upp s ASN 76 Ca 0.00 -2.79 0.25 0.00 0.21 0.00 0.00 52.86 50.53 1upp s ASN 76 Cb 0.00 -2.02 1.58 0.00 -0.55 0.00 0.00 41.25 40.26 1upp s ASN 76 CO 0.00 -0.46 2.19 0.25 -2.79 0.00 0.00 177.10 176.29 1upp h LEU 77 N 7.37 0.00 -1.05 3.21 5.85 -1.97 -1.00 115.31 127.71 1upp h LEU 77 Ca 0.04 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1upp h LEU 77 Cb 0.99 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 1upp h LEU 77 CO 0.73 0.03 0.63 0.44 -0.34 0.00 0.00 178.44 179.93 1upp h ASP 78 N 0.00 0.97 0.79 1.25 3.32 -1.97 -2.22 116.42 118.57 1upp h ASP 78 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1upp h ASP 78 Cb 0.06 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1upp h ASP 78 CO 0.00 0.59 -0.25 -2.11 -1.72 0.00 0.00 179.24 175.75 1upp n ARG 79 N -4.53 0.03 -0.00 3.56 1.85 -0.38 -3.86 116.66 113.32 1upp n ARG 79 Ca 0.16 0.01 0.04 0.00 -1.00 0.00 0.00 57.85 57.07 1upp n ARG 79 Cb 0.24 -1.52 -0.07 0.00 -1.05 0.00 0.00 32.46 30.06 1upp n ARG 79 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1upp n TYR 80 N -1.56 0.00 -1.85 2.89 4.01 -1.12 -4.81 117.16 114.72 1upp n TYR 80 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 1upp n TYR 80 Cb 0.35 -0.18 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1upp n TYR 80 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1upp s LYS 81 N -2.53 4.15 0.58 -0.72 -2.85 -0.85 -4.66 119.74 112.86 1upp s LYS 81 Ca -0.03 2.51 -0.16 0.00 -1.00 0.00 0.00 55.97 57.30 1upp s LYS 81 Cb 0.06 -3.00 -0.04 0.00 -2.06 0.00 0.00 37.83 32.79 1upp s LYS 81 CO 0.37 -0.50 1.06 0.20 0.10 0.00 0.00 175.35 176.58 1upp s GLY 82 N -0.05 2.17 -0.08 0.59 0.00 -1.26 -4.57 107.32 104.13 1upp s GLY 82 Ca 0.54 0.42 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1upp s GLY 82 CO 0.58 0.74 0.08 0.50 0.00 0.00 0.00 173.10 175.01 1upp s ARG 83 N -3.98 -0.03 -0.30 2.90 0.52 -0.41 -4.66 118.95 112.98 1upp s ARG 83 Ca 0.64 0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 55.86 1upp s ARG 83 Cb -0.16 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.53 1upp s ARG 83 CO 0.35 -0.41 1.30 0.00 0.02 0.00 0.00 175.30 176.57 1upp n TYR 85 N 7.66 0.00 -3.64 0.00 4.11 -0.96 0.07 117.16 124.40 1upp n TYR 85 Ca 0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.98 1upp n TYR 85 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.74 1upp n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1upp s HIS 86 N -0.49 -1.01 -0.03 -3.48 5.04 -1.26 -4.29 115.29 109.77 1upp s HIS 86 Ca 0.01 2.02 0.04 0.00 -1.54 0.00 0.00 55.06 55.59 1upp s HIS 86 Cb 0.01 0.60 -0.03 0.00 0.04 0.00 0.00 32.58 33.20 1upp s HIS 86 CO 0.02 -0.50 -0.14 0.42 -2.34 0.00 0.00 174.74 172.20 1upp s ILE 87 N 1.58 3.06 -0.01 0.89 1.01 -1.26 -1.75 121.20 124.72 1upp s ILE 87 Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1upp s ILE 87 Cb -0.05 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1upp s ILE 87 CO -0.19 0.55 0.01 -1.83 0.00 0.00 0.00 174.94 173.48 1upp s GLU 88 N -0.86 -0.02 0.70 2.79 -1.05 -0.34 -4.99 118.70 114.94 1upp s GLU 88 Ca 0.12 0.08 -0.15 0.00 -0.15 0.00 0.00 54.97 54.87 1upp s GLU 88 Cb -0.11 -0.10 0.02 0.00 -0.44 0.00 0.00 34.13 33.50 1upp s GLU 88 CO 0.01 -0.07 1.18 -2.14 0.95 0.00 0.00 175.26 175.20 1upp s PRO 89 N 0.45 2.38 -0.17 -4.83 0.02 -1.26 0.09 135.00 131.68 1upp s PRO 89 Ca -0.04 1.67 -0.09 0.00 0.02 0.00 0.00 61.00 62.57 1upp s PRO 89 Cb -0.05 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 1upp s PRO 89 CO -0.01 -1.63 0.13 0.08 -0.33 0.00 0.00 177.00 175.24 1upp s VAL 90 N -2.03 5.38 -0.12 3.83 1.01 0.42 -4.64 120.40 124.25 1upp s VAL 90 Ca 0.73 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 1upp s VAL 90 Cb -0.27 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1upp s VAL 90 CO 0.43 0.50 1.10 0.00 0.00 0.00 0.00 175.10 177.13 1upp s ALA 91 N -0.12 3.50 -0.60 5.51 0.00 -1.26 -2.70 121.76 126.08 1upp s ALA 91 Ca 0.10 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1upp s ALA 91 Cb -0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1upp s ALA 91 CO 0.00 -0.78 0.11 0.41 0.00 0.00 0.00 175.76 175.50 1upp n GLY 92 N 3.27 0.15 2.84 0.00 0.00 -1.26 -5.04 105.19 105.15 1upp n GLY 92 Ca 0.10 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1upp n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upp s GLU 93 N -4.65 0.19 0.36 1.61 0.41 -1.10 -5.14 118.70 110.38 1upp s GLU 93 Ca 0.05 0.05 -0.27 0.00 -0.41 0.00 0.00 54.97 54.39 1upp s GLU 93 Cb -0.02 -0.33 -0.09 0.00 -1.78 0.00 0.00 34.13 31.91 1upp s GLU 93 CO 0.07 -0.08 1.22 -1.21 -0.49 0.00 0.00 175.26 174.77 1upp s GLU 94 N 0.67 4.21 -1.51 1.61 0.41 -1.26 -4.29 118.70 118.54 1upp s GLU 94 Ca -0.06 2.00 -0.04 0.00 -0.41 0.00 0.00 54.97 56.45 1upp s GLU 94 Cb -0.09 -2.88 0.04 0.00 -1.78 0.00 0.00 34.13 29.41 1upp s GLU 94 CO -0.01 -0.23 0.40 -1.71 -0.49 0.00 0.00 175.26 173.21 1upp n ASN 95 N 0.46 -0.62 -3.81 -0.19 5.15 -1.26 -4.96 115.26 110.03 1upp n ASN 95 Ca 0.02 -1.08 -0.13 0.00 -0.60 0.00 0.00 54.58 52.79 1upp n ASN 95 Cb 0.44 -2.61 -0.14 0.00 -0.53 0.00 0.00 39.78 36.94 1upp n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1upp s GLN 96 N -6.84 0.07 0.04 1.20 0.74 -1.26 -4.04 119.66 109.56 1upp s GLN 96 Ca 0.17 0.18 0.03 0.00 0.05 0.00 0.00 55.36 55.79 1upp s GLN 96 Cb -0.09 -0.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.94 1upp s GLN 96 CO 0.93 -0.07 -0.10 0.71 -0.55 0.00 0.00 175.29 176.21 1upp s TYR 97 N 0.48 0.84 -0.14 1.67 1.51 -0.81 -0.44 117.35 120.47 1upp s TYR 97 Ca -0.04 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.41 1upp s TYR 97 Cb -0.05 -0.50 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 1upp s TYR 97 CO -0.02 -0.02 0.70 0.42 -1.11 0.00 0.00 175.55 175.52 1upp s ILE 98 N -1.01 5.00 -0.17 2.71 -1.09 0.11 -0.59 121.20 126.17 1upp s ILE 98 Ca -0.04 1.38 -0.00 0.00 -2.23 0.00 0.00 60.65 59.76 1upp s ILE 98 Cb -0.08 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1upp s ILE 98 CO 0.01 0.15 -0.14 0.00 -1.23 0.00 0.00 174.94 173.73 1upp s TYR 100 N 1.07 3.66 -0.04 0.00 1.51 -0.72 -0.90 117.35 121.92 1upp s TYR 100 Ca -0.00 1.03 0.03 0.00 -1.01 0.00 0.00 57.07 57.12 1upp s TYR 100 Cb -0.14 -2.47 0.00 0.00 -0.11 0.00 0.00 41.96 39.24 1upp s TYR 100 CO -0.04 0.42 -0.13 0.08 -1.11 0.00 0.00 175.55 174.77 1upp s VAL 101 N -0.33 1.10 -0.17 0.71 1.01 -0.48 -2.25 120.40 119.99 1upp s VAL 101 Ca 0.26 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1upp s VAL 101 Cb -0.17 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1upp s VAL 101 CO 0.14 0.34 0.04 0.00 0.00 0.00 0.00 175.10 175.61 1upp s ALA 102 N 0.31 3.31 -0.21 5.51 0.00 0.41 -0.41 121.76 130.68 1upp s ALA 102 Ca -0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1upp s ALA 102 Cb -0.12 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1upp s ALA 102 CO 0.02 0.22 -0.06 0.71 0.00 0.00 0.00 175.76 176.64 1upp s TYR 103 N 0.29 2.93 0.45 0.00 2.02 0.11 -1.29 117.35 121.86 1upp s TYR 103 Ca 0.02 -0.98 -0.25 0.00 -0.37 0.00 0.00 57.07 55.49 1upp s TYR 103 Cb -0.13 -2.07 -0.09 0.00 -0.40 0.00 0.00 41.96 39.27 1upp s TYR 103 CO 0.01 -0.55 1.29 -2.30 -1.57 0.00 0.00 175.55 172.43 1upp n PRO 104 N 4.70 1.90 -0.29 -1.71 -0.02 -1.26 0.12 135.00 138.44 1upp n PRO 104 Ca -0.18 0.68 0.21 0.00 -2.02 0.00 0.00 63.50 62.19 1upp n PRO 104 Cb 0.51 -2.43 0.52 0.00 -0.02 0.00 0.00 33.50 32.07 1upp n PRO 104 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1upp h LEU 105 N 1.96 0.41 -1.90 2.45 5.85 -1.91 -2.58 115.31 119.59 1upp h LEU 105 Ca -0.49 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1upp h LEU 105 Cb 1.30 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1upp h LEU 105 CO 0.59 0.12 -0.08 0.44 -0.34 0.00 0.00 178.44 179.17 1upp h ASP 106 N 0.39 0.00 0.49 1.25 3.32 -1.91 -3.16 116.42 116.79 1upp h ASP 106 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1upp h ASP 106 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1upp h ASP 106 CO -0.22 0.08 0.00 0.18 -1.72 0.00 0.00 179.24 177.56 1upp n LEU 107 N -3.39 0.47 -4.54 1.55 4.77 -0.97 -4.81 117.00 110.07 1upp n LEU 107 Ca -0.01 0.64 -0.34 0.00 -0.03 0.00 0.00 56.01 56.27 1upp n LEU 107 Cb 0.25 -0.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1upp n LEU 107 CO 0.28 -0.57 -0.33 -0.36 -1.33 0.00 0.00 177.39 175.08 1upp s PHE 108 N -3.27 3.07 -0.05 -1.77 0.08 -1.20 -5.00 117.98 109.84 1upp s PHE 108 Ca 0.03 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 1upp s PHE 108 Cb 0.08 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 1upp s PHE 108 CO 0.30 0.07 1.30 -2.00 -0.10 0.00 0.00 175.22 174.79 1upp s GLU 109 N 0.16 4.30 0.09 0.44 2.12 -1.26 -4.96 118.70 119.59 1upp s GLU 109 Ca -0.00 1.80 -0.36 0.00 0.36 0.00 0.00 54.97 56.76 1upp s GLU 109 Cb -0.13 -3.60 -0.17 0.00 0.26 0.00 0.00 34.13 30.48 1upp s GLU 109 CO 0.02 -0.54 1.17 0.39 -0.54 0.00 0.00 175.26 175.77 1upp n GLU 110 N 5.50 0.74 -1.47 4.30 4.71 -1.26 -2.20 120.64 130.96 1upp n GLU 110 Ca 0.12 0.27 -0.16 0.00 -0.01 0.00 0.00 57.16 57.38 1upp n GLU 110 Cb 0.45 -1.80 -0.07 0.00 -1.01 0.00 0.00 31.44 29.01 1upp n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1upp n GLY 111 N 2.07 1.62 2.90 0.62 0.00 -1.19 -5.00 105.19 106.21 1upp n GLY 111 Ca 0.18 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1upp n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upp s SER 112 N -2.79 4.28 0.27 1.61 0.15 -0.94 -4.90 113.70 111.38 1upp s SER 112 Ca 0.00 -2.56 -0.09 0.00 0.70 0.00 0.00 55.95 54.01 1upp s SER 112 Cb 0.00 -1.43 0.43 0.00 -1.71 0.00 0.00 66.02 63.31 1upp s SER 112 CO 0.00 -0.30 1.57 0.58 1.20 0.00 0.00 173.24 176.29 1upp h VAL 113 N 5.86 0.04 -0.77 4.45 2.07 -1.93 -0.77 116.25 125.19 1upp h VAL 113 Ca -0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.64 1upp h VAL 113 Cb 0.95 0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 30.63 1upp h VAL 113 CO 0.58 0.00 0.11 0.74 0.02 0.00 0.00 177.57 179.02 1upp h THR 114 N -0.00 0.40 -0.13 2.57 2.02 -1.90 -2.28 112.91 113.59 1upp h THR 114 Ca 0.46 -0.06 -0.18 0.00 0.77 0.00 0.00 66.41 67.40 1upp h THR 114 Cb 0.70 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1upp h THR 114 CO -0.99 0.03 -0.65 -1.13 0.37 0.00 0.00 175.52 173.15 1upp h ASN 115 N 0.18 0.57 -0.54 4.18 -0.73 -1.49 -1.82 115.58 115.93 1upp h ASN 115 Ca 0.44 -0.34 -0.06 0.00 1.87 0.00 0.00 56.30 58.20 1upp h ASN 115 Cb 0.79 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.19 1upp h ASN 115 CO -0.60 1.07 0.09 -0.03 -0.37 0.00 0.00 177.43 177.59 1upp h MET 116 N 0.36 0.90 0.00 6.67 4.05 -1.26 -2.32 114.93 123.33 1upp h MET 116 Ca -0.01 -0.24 -0.14 0.00 -0.28 0.00 0.00 59.70 59.02 1upp h MET 116 Cb 1.21 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.89 1upp h MET 116 CO 0.12 0.87 -0.66 0.74 0.23 0.00 0.00 176.91 178.21 1upp h PHE 117 N 0.79 0.00 -0.31 1.39 0.04 -1.46 -2.16 116.94 115.22 1upp h PHE 117 Ca 0.17 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 1upp h PHE 117 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1upp h PHE 117 CO 0.03 0.66 -0.11 1.15 -0.60 0.00 0.00 178.31 179.44 1upp h THR 118 N 0.00 1.29 0.54 -1.55 2.02 -0.79 -0.31 112.91 114.11 1upp h THR 118 Ca -0.01 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1upp h THR 118 Cb 1.27 1.41 0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1upp h THR 118 CO 0.09 0.38 -0.26 0.28 0.37 0.00 0.00 175.52 176.38 1upp h SER 119 N 0.39 -0.61 0.23 4.18 0.02 -1.58 -2.49 113.55 113.68 1upp h SER 119 Ca 0.07 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1upp h SER 119 Cb 0.62 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1upp h SER 119 CO 0.04 -0.24 -0.26 0.40 -1.14 0.00 0.00 176.83 175.63 1upp h ILE 120 N -1.06 1.20 0.00 3.27 2.04 -1.41 -3.07 117.51 118.47 1upp h ILE 120 Ca -0.07 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1upp h ILE 120 Cb 0.62 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1upp h ILE 120 CO 0.12 0.28 -0.17 0.55 0.00 0.00 0.00 178.15 178.93 1upp n VAL 121 N -4.21 0.28 0.25 1.67 3.14 -0.14 -4.81 118.33 114.51 1upp n VAL 121 Ca -0.02 -0.32 -0.10 0.00 -2.96 0.00 0.00 64.34 60.94 1upp n VAL 121 Cb 0.32 0.66 -0.05 0.00 -1.06 0.00 0.00 33.84 33.72 1upp n VAL 121 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1upp h GLY 122 N 0.00 -0.70 0.00 7.55 0.00 -1.28 -3.43 103.07 105.22 1upp h GLY 122 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1upp h GLY 122 CO 0.00 -0.25 -0.06 0.70 0.00 0.00 0.00 176.54 176.93 1upp n ASN 123 N -4.45 0.28 0.24 0.19 3.02 -1.26 -4.85 115.26 108.43 1upp n ASN 123 Ca -0.08 -0.37 0.14 0.00 -0.03 0.00 0.00 54.58 54.23 1upp n ASN 123 Cb 0.26 0.80 0.49 0.00 -0.61 0.00 0.00 39.78 40.72 1upp n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1upp h VAL 124 N 0.00 0.20 0.00 2.41 -1.51 -1.84 -3.05 116.25 112.45 1upp h VAL 124 Ca 0.00 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1upp h VAL 124 Cb 0.00 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1upp h VAL 124 CO 0.00 0.09 0.00 0.49 -1.23 0.00 0.00 177.57 176.92 1upp n PHE 125 N -3.18 0.00 1.00 5.19 3.01 -1.26 -2.64 117.46 119.57 1upp n PHE 125 Ca 0.01 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.58 1upp n PHE 125 Cb 0.40 -0.33 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 1upp n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1upp n GLY 126 N 0.32 -0.44 3.59 1.37 0.00 -1.15 -4.86 105.19 104.02 1upp n GLY 126 Ca 0.08 -0.62 -0.50 0.00 0.00 0.00 0.00 46.02 44.97 1upp n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upp n PHE 127 N -0.71 1.47 -0.21 1.61 3.01 -1.08 -4.84 117.46 116.71 1upp n PHE 127 Ca 0.07 0.64 -0.01 0.00 1.01 0.00 0.00 57.45 59.16 1upp n PHE 127 Cb 0.40 -2.32 0.07 0.00 -0.01 0.00 0.00 39.48 37.62 1upp n PHE 127 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1upp h LYS 128 N 4.12 0.01 0.00 -1.08 1.57 -1.94 -2.70 116.57 116.55 1upp h LYS 128 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1upp h LYS 128 Cb 1.33 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1upp h LYS 128 CO 0.75 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 1upp n ALA 129 N -3.01 2.01 -2.72 3.86 0.00 -1.26 -4.65 120.51 114.74 1upp n ALA 129 Ca 0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1upp n ALA 129 Cb 0.33 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1upp n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1upp s LEU 130 N -2.12 3.67 -0.03 0.00 1.43 -1.02 -1.14 118.68 119.47 1upp s LEU 130 Ca 0.21 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 1upp s LEU 130 Cb 0.10 -2.10 -0.31 0.00 0.03 0.00 0.00 46.19 43.91 1upp s LEU 130 CO 0.19 0.28 0.75 0.03 0.23 0.00 0.00 176.35 177.83 1upp h ARG 131 N 4.29 0.38 -3.12 1.70 3.08 -0.23 -3.43 114.38 117.04 1upp h ARG 131 Ca -0.49 -0.65 -0.02 0.00 0.07 0.00 0.00 59.98 58.89 1upp h ARG 131 Cb 1.18 0.24 -0.12 0.00 0.08 0.00 0.00 29.97 31.35 1upp h ARG 131 CO 0.59 1.29 0.12 0.00 -1.07 0.00 0.00 179.97 180.90 1upp s ALA 132 N -2.59 -1.36 -0.28 0.04 0.00 -1.04 -5.02 121.76 111.52 1upp s ALA 132 Ca -0.13 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 51.87 1upp s ALA 132 Cb 0.06 0.83 0.09 0.00 0.00 0.00 0.00 23.12 24.10 1upp s ALA 132 CO 0.87 -0.75 0.78 -1.17 0.00 0.00 0.00 175.76 175.48 1upp s LEU 133 N -2.78 -0.74 -0.04 0.00 2.96 -1.19 -0.77 118.68 116.12 1upp s LEU 133 Ca 0.03 1.33 -0.00 0.00 -0.22 0.00 0.00 54.13 55.27 1upp s LEU 133 Cb -0.00 2.31 0.03 0.00 0.50 0.00 0.00 46.19 49.02 1upp s LEU 133 CO -0.11 -0.22 0.01 -0.60 -1.32 0.00 0.00 176.35 174.10 1upp s ARG 134 N 0.76 0.32 -0.31 1.98 3.52 -0.85 -1.97 118.95 122.40 1upp s ARG 134 Ca -0.03 0.13 -0.27 0.00 -0.13 0.00 0.00 55.73 55.43 1upp s ARG 134 Cb -0.05 -0.60 0.01 0.00 -1.56 0.00 0.00 34.95 32.75 1upp s ARG 134 CO -0.07 -0.20 0.97 -1.17 -0.81 0.00 0.00 175.30 174.02 1upp s LEU 135 N 1.42 4.00 -0.13 -0.88 2.96 0.29 -0.40 118.68 125.94 1upp s LEU 135 Ca -0.04 0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 54.74 1upp s LEU 135 Cb -0.13 -3.38 -0.25 0.00 0.50 0.00 0.00 46.19 42.93 1upp s LEU 135 CO -0.03 -0.78 0.34 -0.62 -1.32 0.00 0.00 176.35 173.94 1upp n GLU 136 N 6.61 0.75 -3.83 1.98 -0.58 0.13 -1.19 120.64 124.51 1upp n GLU 136 Ca 0.09 0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 56.99 1upp n GLU 136 Cb 0.47 -1.70 -0.05 0.00 -0.57 0.00 0.00 31.44 29.59 1upp n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1upp s ASP 137 N -6.96 -0.14 0.01 1.62 -1.08 -1.16 -4.55 116.67 104.40 1upp s ASP 137 Ca -0.22 -0.64 0.01 0.00 -0.52 0.00 0.00 52.55 51.17 1upp s ASP 137 Cb 0.07 0.53 -0.01 0.00 -1.46 0.00 0.00 42.92 42.05 1upp s ASP 137 CO 0.76 -1.00 -0.04 -0.76 0.52 0.00 0.00 175.17 174.66 1upp s LEU 138 N -2.91 2.09 -0.41 -1.34 1.43 -1.26 -1.29 118.68 114.98 1upp s LEU 138 Ca 0.12 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1upp s LEU 138 Cb 0.01 -0.09 0.10 0.00 0.03 0.00 0.00 46.19 46.23 1upp s LEU 138 CO -0.01 -0.07 0.22 -0.60 0.23 0.00 0.00 176.35 176.12 1upp s ARG 139 N -0.59 2.30 -0.37 1.70 3.00 0.12 -4.91 118.95 120.20 1upp s ARG 139 Ca -0.04 -1.65 -0.25 0.00 -1.00 0.00 0.00 55.73 52.79 1upp s ARG 139 Cb -0.04 -3.66 0.01 0.00 0.00 0.00 0.00 34.95 31.26 1upp s ARG 139 CO -0.00 -1.02 0.86 0.42 0.00 0.00 0.00 175.30 175.56 1upp s ILE 140 N 1.27 4.65 0.76 4.11 1.09 -1.26 -2.46 121.20 129.36 1upp s ILE 140 Ca 0.05 1.01 -0.14 0.00 -1.10 0.00 0.00 60.65 60.47 1upp s ILE 140 Cb -0.23 -4.28 0.06 0.00 -1.06 0.00 0.00 42.46 36.94 1upp s ILE 140 CO -0.02 -0.51 1.20 -2.16 -0.10 0.00 0.00 174.94 173.35 1upp s PRO 141 N 3.31 1.95 0.43 2.79 0.04 -1.25 -4.67 135.00 137.60 1upp s PRO 141 Ca 0.35 1.71 0.22 0.00 0.04 0.00 0.00 61.00 63.33 1upp s PRO 141 Cb -0.12 -1.82 0.92 0.00 0.04 0.00 0.00 34.50 33.52 1upp s PRO 141 CO 0.18 -1.97 1.83 -0.39 0.04 0.00 0.00 177.00 176.70 1upp h VAL 142 N -0.58 0.68 0.00 -0.36 -1.51 -1.87 -1.37 116.25 111.25 1upp h VAL 142 Ca -0.47 -1.16 -0.00 0.00 -1.23 0.00 0.00 66.70 63.84 1upp h VAL 142 Cb 1.29 1.75 -0.00 0.00 -2.13 0.00 0.00 31.29 32.20 1upp h VAL 142 CO 0.48 0.26 -0.02 0.00 -1.23 0.00 0.00 177.57 177.06 1upp h ALA 143 N 1.74 0.99 -0.02 5.19 0.00 -1.91 -2.20 119.26 123.05 1upp h ALA 143 Ca -0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1upp h ALA 143 Cb 0.73 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.53 1upp h ALA 143 CO 0.03 0.03 -0.81 -0.92 0.00 0.00 0.00 179.25 177.58 1upp h TYR 144 N 0.00 0.85 -0.71 0.00 3.20 -1.71 -3.33 116.97 115.27 1upp h TYR 144 Ca -0.00 -0.45 0.15 0.00 3.14 0.00 0.00 58.73 61.57 1upp h TYR 144 Cb 0.97 -0.10 -0.10 0.00 1.54 0.00 0.00 36.73 39.03 1upp h TYR 144 CO 0.00 1.27 0.19 0.28 -1.64 0.00 0.00 178.16 178.26 1upp h VAL 145 N 0.18 0.56 0.00 1.81 2.07 -0.82 -0.86 116.25 119.19 1upp h VAL 145 Ca -0.10 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1upp h VAL 145 Cb 1.48 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1upp h VAL 145 CO 0.16 0.05 0.00 0.29 0.02 0.00 0.00 177.57 178.09 1upp n LYS 146 N -5.13 0.14 0.00 1.57 4.76 -0.87 -2.81 118.16 115.82 1upp n LYS 146 Ca 0.13 0.62 0.15 0.00 -2.87 0.00 0.00 58.31 56.34 1upp n LYS 146 Cb 0.42 -1.95 0.71 0.00 -1.84 0.00 0.00 35.03 32.38 1upp n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1upp n THR 147 N -2.25 0.00 -4.34 -0.18 -2.24 -0.33 -4.84 114.28 100.10 1upp n THR 147 Ca -0.01 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 1upp n THR 147 Cb 0.05 -0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.17 1upp n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1upp s PHE 148 N -2.09 3.15 0.15 4.78 0.40 -1.12 -3.17 117.98 120.07 1upp s PHE 148 Ca 0.40 0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 56.74 1upp s PHE 148 Cb 0.21 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 42.00 1upp s PHE 148 CO 0.38 0.47 1.80 0.37 0.70 0.00 0.00 175.22 178.93 1upp h GLN 149 N 4.92 0.43 0.00 0.44 4.15 -1.87 -3.49 115.11 119.70 1upp h GLN 149 Ca -0.50 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1upp h GLN 149 Cb 1.19 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1upp h GLN 149 CO 0.55 0.29 0.00 0.41 -1.93 0.00 0.00 178.83 178.15 1upp n GLY 150 N -1.20 -0.45 3.54 2.39 0.00 -0.90 -4.90 105.19 103.68 1upp n GLY 150 Ca 0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1upp n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1upp n PRO 151 N -0.27 0.98 -0.15 1.61 -0.02 -1.24 -4.15 135.00 131.77 1upp n PRO 151 Ca 0.00 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.72 1upp n PRO 151 Cb 0.00 -1.80 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1upp n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1upp h PRO 152 N 1.19 0.89 0.00 0.52 0.11 -1.85 -3.42 132.00 129.44 1upp h PRO 152 Ca -0.42 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 65.33 1upp h PRO 152 Cb 1.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1upp h PRO 152 CO 0.54 1.00 0.00 0.72 -0.21 0.00 0.00 178.00 180.05 1upp n HIS 153 N -4.24 -0.11 0.00 0.65 8.25 -1.26 -4.65 115.22 113.86 1upp n HIS 153 Ca -0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1upp n HIS 153 Cb 0.40 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1upp n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upp n GLY 154 N 3.41 1.36 0.08 -1.41 0.00 -1.26 -4.45 105.19 102.91 1upp n GLY 154 Ca 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1upp n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1upp h ILE 155 N 0.00 0.94 -0.13 -0.61 2.04 -1.72 -2.23 117.51 115.80 1upp h ILE 155 Ca 0.00 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1upp h ILE 155 Cb 0.00 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1upp h ILE 155 CO 0.00 0.01 -0.03 -0.61 0.00 0.00 0.00 178.15 177.52 1upp h GLN 156 N 0.05 -0.00 -0.59 2.37 4.15 -1.88 -1.42 115.11 117.79 1upp h GLN 156 Ca 0.05 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 1upp h GLN 156 Cb 0.05 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1upp h GLN 156 CO -0.08 -0.00 0.01 0.28 -1.93 0.00 0.00 178.83 177.11 1upp h VAL 157 N -0.00 1.26 -0.49 2.39 2.07 -1.73 -1.73 116.25 118.02 1upp h VAL 157 Ca 0.06 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1upp h VAL 157 Cb 0.09 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1upp h VAL 157 CO -0.13 0.40 0.05 -0.08 0.02 0.00 0.00 177.57 177.83 1upp h GLU 158 N 0.93 0.83 -0.42 1.57 4.81 -1.08 0.42 114.58 121.65 1upp h GLU 158 Ca 0.17 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1upp h GLU 158 Cb 0.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1upp h GLU 158 CO 0.03 0.85 -0.20 0.00 -0.73 0.00 0.00 179.01 178.95 1upp h ARG 159 N 0.70 0.84 -0.36 1.92 3.08 -1.01 -1.38 114.38 118.18 1upp h ARG 159 Ca 0.15 -0.33 -0.16 0.00 0.07 0.00 0.00 59.98 59.70 1upp h ARG 159 Cb 0.44 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1upp h ARG 159 CO 0.02 0.97 -0.42 -0.44 -1.07 0.00 0.00 179.97 179.02 1upp h ASP 160 N 0.73 0.97 -0.34 7.04 3.32 -0.81 0.15 116.42 127.48 1upp h ASP 160 Ca 0.10 -0.46 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 1upp h ASP 160 Cb 0.73 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1upp h ASP 160 CO 0.06 1.25 -0.06 0.11 -1.72 0.00 0.00 179.24 178.88 1upp h LYS 161 N 0.73 0.74 0.00 3.56 1.79 0.19 -3.24 116.57 120.34 1upp h LYS 161 Ca 0.05 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1upp h LYS 161 Cb 1.01 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1upp h LYS 161 CO 0.10 0.79 -1.28 1.28 -1.08 0.00 0.00 179.45 179.26 1upp n LEU 162 N -4.20 0.66 -1.80 2.94 4.77 -0.55 -4.95 117.00 113.88 1upp n LEU 162 Ca 0.02 -0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 55.56 1upp n LEU 162 Cb 0.33 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1upp n LEU 162 CO 0.42 0.16 0.10 -3.20 -1.33 0.00 0.00 177.39 173.54 1upp n ASN 163 N -1.72 -3.61 -3.91 -1.43 4.05 0.48 -4.59 115.26 104.53 1upp n ASN 163 Ca 0.01 -0.22 -0.26 0.00 0.45 0.00 0.00 54.58 54.56 1upp n ASN 163 Cb 0.39 -2.36 -0.17 0.00 1.23 0.00 0.00 39.78 38.87 1upp n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1upp s LYS 164 N -5.43 1.47 -0.00 1.20 1.02 -1.02 -5.02 119.74 111.95 1upp s LYS 164 Ca 0.21 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.86 1upp s LYS 164 Cb -0.09 -1.51 0.01 0.00 -0.52 0.00 0.00 37.83 35.71 1upp s LYS 164 CO 0.30 -0.24 0.21 0.71 -0.92 0.00 0.00 175.35 175.41 1upp s TYR 165 N 1.62 -0.05 0.00 3.18 2.02 -1.26 -4.67 117.35 118.18 1upp s TYR 165 Ca 0.03 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1upp s TYR 165 Cb -0.13 0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.45 1upp s TYR 165 CO -0.07 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 173.98 1upp n GLY 166 N 1.33 0.71 3.65 0.71 0.00 -1.26 -5.03 105.19 105.31 1upp n GLY 166 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 1upp n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1upp s ARG 167 N -0.32 1.17 0.58 1.61 1.70 -1.26 -5.03 118.95 117.39 1upp s ARG 167 Ca 0.00 -0.57 -0.20 0.00 -0.47 0.00 0.00 55.73 54.49 1upp s ARG 167 Cb 0.00 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1upp s ARG 167 CO 0.00 -0.53 1.25 -2.14 -1.08 0.00 0.00 175.30 172.80 1upp s PRO 168 N -3.37 3.03 0.60 3.89 0.02 -1.21 -4.78 135.00 133.18 1upp s PRO 168 Ca 0.08 1.94 -0.15 0.00 0.02 0.00 0.00 61.00 62.90 1upp s PRO 168 Cb -0.02 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1upp s PRO 168 CO -0.03 -1.19 1.04 -0.51 -0.33 0.00 0.00 177.00 175.99 1upp s LEU 169 N -3.88 3.44 -0.06 -5.54 1.43 -0.76 -4.94 118.68 108.37 1upp s LEU 169 Ca 0.75 1.70 0.05 0.00 -1.03 0.00 0.00 54.13 55.60 1upp s LEU 169 Cb -0.33 -4.52 -0.00 0.00 0.03 0.00 0.00 46.19 41.37 1upp s LEU 169 CO 0.37 -1.07 -0.21 -0.76 0.23 0.00 0.00 176.35 174.91 1upp s LEU 170 N -4.64 1.98 0.00 1.79 1.43 -1.26 0.10 118.68 118.09 1upp s LEU 170 Ca 0.61 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1upp s LEU 170 Cb -0.14 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 1upp s LEU 170 CO 0.40 0.18 0.09 0.61 0.23 0.00 0.00 176.35 177.86 1upp n GLY 171 N 3.19 3.67 3.29 -3.19 0.00 0.25 -1.42 105.19 110.98 1upp n GLY 171 Ca -0.18 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.02 1upp n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upp s THR 173 N 2.36 4.84 0.13 0.00 2.01 -1.26 -4.26 115.64 119.45 1upp s THR 173 Ca -0.01 1.87 -0.33 0.00 0.31 0.00 0.00 61.69 63.53 1upp s THR 173 Cb -0.04 -4.24 -0.13 0.00 0.01 0.00 0.00 72.50 68.10 1upp s THR 173 CO -0.16 0.04 1.70 -0.38 -0.69 0.00 0.00 174.62 175.13 1upp n ILE 174 N 4.52 0.16 -3.63 1.82 2.08 -1.26 -4.44 119.36 118.61 1upp n ILE 174 Ca 0.06 -0.03 -0.24 0.00 0.56 0.00 0.00 62.75 63.11 1upp n ILE 174 Cb 0.49 -1.79 0.01 0.00 -0.75 0.00 0.00 39.64 37.60 1upp n ILE 174 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1upp s LYS 175 N 1.79 2.31 0.00 0.38 -0.14 -1.26 -4.23 119.74 118.58 1upp s LYS 175 Ca 0.81 -1.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.56 1upp s LYS 175 Cb -0.61 -2.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 1upp s LYS 175 CO 0.39 -0.62 0.00 -0.35 -0.76 0.00 0.00 175.35 174.01 1upp n PRO 176 N -1.85 0.00 -0.21 -1.68 -0.04 -1.26 -4.98 135.00 124.98 1upp n PRO 176 Ca 0.03 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 1upp n PRO 176 Cb 0.63 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.20 1upp n PRO 176 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1upp h LYS 177 N 0.38 0.17 -6.70 0.54 1.57 -1.98 -3.43 116.57 107.12 1upp h LYS 177 Ca 0.00 -0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 58.10 1upp h LYS 177 Cb 0.00 -0.04 -0.19 0.00 0.08 0.00 0.00 32.23 32.08 1upp h LYS 177 CO 0.00 0.12 -0.81 -0.51 -0.57 0.00 0.00 179.45 177.68 1upp s LEU 178 N -10.61 2.60 0.00 2.94 1.43 -1.26 -4.66 118.68 109.12 1upp s LEU 178 Ca -0.13 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1upp s LEU 178 Cb 0.19 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1upp s LEU 178 CO 0.74 0.16 0.00 0.61 0.23 0.00 0.00 176.35 178.09 1upp n GLY 179 N 0.61 1.17 3.75 -3.19 0.00 -1.26 -5.05 105.19 101.21 1upp n GLY 179 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1upp n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upp s LEU 180 N 0.00 4.60 0.84 0.99 1.43 -1.26 -4.97 118.68 120.30 1upp s LEU 180 Ca 0.00 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 1upp s LEU 180 Cb 0.00 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.71 1upp s LEU 180 CO 0.00 0.04 1.14 -0.94 0.23 0.00 0.00 176.35 176.82 1upp s SER 181 N -0.85 4.15 0.13 2.29 1.04 -1.26 -4.48 113.70 114.73 1upp s SER 181 Ca 0.43 1.00 -0.14 0.00 0.48 0.00 0.00 55.95 57.72 1upp s SER 181 Cb -0.27 -1.61 -0.00 0.00 0.10 0.00 0.00 66.02 64.24 1upp s SER 181 CO 0.33 -2.15 1.61 0.00 0.98 0.00 0.00 173.24 174.01 1upp h ALA 182 N -1.22 0.59 -0.27 5.32 0.00 -1.92 0.12 119.26 121.88 1upp h ALA 182 Ca -0.48 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 1upp h ALA 182 Cb 1.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1upp h ALA 182 CO 0.63 0.33 -0.13 -0.22 0.00 0.00 0.00 179.25 179.85 1upp h LYS 183 N 0.60 0.56 -0.32 0.00 1.63 -1.93 -1.69 116.57 115.41 1upp h LYS 183 Ca 0.13 -0.24 0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1upp h LYS 183 Cb 0.41 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1upp h LYS 183 CO 0.01 0.81 0.22 -0.91 -3.45 0.00 0.00 179.45 176.13 1upp h ASN 184 N 0.29 0.16 -0.18 4.20 -0.26 -1.92 -1.10 115.58 116.78 1upp h ASN 184 Ca 0.06 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1upp h ASN 184 Cb 0.64 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.86 1upp h ASN 184 CO 0.04 0.11 0.02 0.22 -1.06 0.00 0.00 177.43 176.76 1upp h TYR 185 N 0.18 0.32 -0.96 1.19 3.20 -0.15 -1.49 116.97 119.27 1upp h TYR 185 Ca 0.14 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.02 1upp h TYR 185 Cb 0.34 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 1upp h TYR 185 CO -0.00 0.47 0.62 0.78 -1.64 0.00 0.00 178.16 178.39 1upp h GLY 186 N 0.08 1.43 0.83 1.82 0.00 -1.10 -0.43 103.07 105.71 1upp h GLY 186 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1upp h GLY 186 CO 0.00 0.35 -0.07 -0.09 0.00 0.00 0.00 176.54 176.73 1upp h ARG 187 N 1.14 -0.13 -0.30 4.80 2.43 -0.92 0.07 114.38 121.48 1upp h ARG 187 Ca 0.40 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1upp h ARG 187 Cb 0.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1upp h ARG 187 CO -0.16 -0.09 0.14 0.00 -1.51 0.00 0.00 179.97 178.35 1upp h ALA 188 N 0.84 0.39 -0.49 2.80 0.00 -0.60 -2.46 119.26 119.75 1upp h ALA 188 Ca 0.02 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1upp h ALA 188 Cb 0.16 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 1upp h ALA 188 CO -0.06 -0.03 -0.28 0.28 0.00 0.00 0.00 179.25 179.16 1upp h VAL 189 N 0.35 0.27 -0.51 0.00 2.07 -0.98 -2.09 116.25 115.36 1upp h VAL 189 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1upp h VAL 189 Cb 0.15 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 1upp h VAL 189 CO -0.01 0.00 0.24 0.22 0.02 0.00 0.00 177.57 178.04 1upp h TYR 190 N -0.17 0.43 -0.16 1.57 3.20 -0.77 -0.07 116.97 121.01 1upp h TYR 190 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1upp h TYR 190 Cb 0.51 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1upp h TYR 190 CO -0.54 0.19 0.06 0.93 -1.64 0.00 0.00 178.16 177.16 1upp h GLU 191 N 0.46 0.23 0.17 1.82 4.39 -1.33 -1.43 114.58 118.90 1upp h GLU 191 Ca 0.23 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1upp h GLU 191 Cb 0.17 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1upp h GLU 191 CO -0.18 0.33 -0.22 0.00 -1.16 0.00 0.00 179.01 177.78 1upp h LEU 193 N -0.44 0.69 -1.45 0.00 3.38 -1.00 -2.86 115.31 113.62 1upp h LEU 193 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1upp h LEU 193 Cb 0.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1upp h LEU 193 CO -0.08 0.51 0.00 0.08 0.09 0.00 0.00 178.44 179.04 1upp h ARG 194 N 0.81 0.00 -0.19 1.13 0.11 -1.19 -2.84 114.38 112.21 1upp h ARG 194 Ca 0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.30 1upp h ARG 194 Cb -0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.01 1upp h ARG 194 CO -0.04 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.44 1upp n GLY 195 N -0.08 0.07 0.00 0.08 0.00 -1.08 -4.89 105.19 99.29 1upp n GLY 195 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1upp n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upp n GLY 196 N 0.96 1.17 3.76 -0.02 0.00 -1.07 -2.33 105.19 107.66 1upp n GLY 196 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1upp n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upp s LEU 197 N 0.00 4.55 0.14 0.99 1.43 -1.23 -4.77 118.68 119.79 1upp s LEU 197 Ca 0.00 2.26 -0.09 0.00 -1.03 0.00 0.00 54.13 55.27 1upp s LEU 197 Cb 0.00 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 1upp s LEU 197 CO 0.00 -0.14 1.39 0.44 0.23 0.00 0.00 176.35 178.27 1upp h ASP 198 N 3.81 0.84 -4.75 2.29 3.32 -1.57 -3.43 116.42 116.92 1upp h ASP 198 Ca -0.47 -0.50 -0.21 0.00 0.02 0.00 0.00 57.03 55.87 1upp h ASP 198 Cb 1.21 -0.24 -0.15 0.00 0.22 0.00 0.00 39.33 40.37 1upp h ASP 198 CO 0.67 1.28 -0.69 -0.36 -1.72 0.00 0.00 179.24 178.42 1upp s PHE 199 N -3.90 0.86 0.00 4.55 0.08 -0.54 -2.08 117.98 116.95 1upp s PHE 199 Ca -0.09 -0.97 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1upp s PHE 199 Cb 0.10 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 42.04 1upp s PHE 199 CO 0.88 -0.22 0.00 0.25 -0.10 0.00 0.00 175.22 176.03 1upp n THR 200 N -0.04 0.00 -1.91 0.64 -2.24 -1.04 -3.35 114.28 106.35 1upp n THR 200 Ca -0.11 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 1upp n THR 200 Cb 0.61 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 1upp n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upp s ASP 202 N 1.00 6.53 0.53 3.42 1.01 -0.28 -0.65 116.67 128.23 1upp s ASP 202 Ca 0.00 2.78 -0.21 0.00 0.71 0.00 0.00 52.55 55.83 1upp s ASP 202 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1upp s ASP 202 CO 0.00 -0.80 1.26 -0.62 0.21 0.00 0.00 175.17 175.22 1upp s ASP 203 N 0.48 5.51 0.25 0.27 -1.08 -1.26 -4.90 116.67 115.93 1upp s ASP 203 Ca 0.62 2.52 -0.11 0.00 -0.52 0.00 0.00 52.55 55.06 1upp s ASP 203 Cb -0.44 -2.62 0.35 0.00 -1.46 0.00 0.00 42.92 38.75 1upp s ASP 203 CO 0.44 -1.39 1.58 1.05 0.52 0.00 0.00 175.17 177.38 1upp h GLU 204 N 1.47 -0.01 -0.09 4.34 9.09 -1.98 -2.26 114.58 125.14 1upp h GLU 204 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1upp h GLU 204 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1upp h GLU 204 CO 0.57 -0.01 0.00 0.27 0.05 0.00 0.00 179.01 179.90 1upp n ASN 205 N -5.54 1.35 -4.55 3.06 6.94 -1.26 -4.67 115.26 110.59 1upp n ASN 205 Ca 0.12 -1.56 -0.41 0.00 -0.02 0.00 0.00 54.58 52.71 1upp n ASN 205 Cb 0.43 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.77 1upp n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1upp s VAL 206 N -1.90 3.71 0.00 3.53 1.01 -0.85 -4.87 120.40 121.03 1upp s VAL 206 Ca 0.35 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1upp s VAL 206 Cb 0.19 -4.88 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1upp s VAL 206 CO 0.29 -1.82 0.00 0.59 0.00 0.00 0.00 175.10 174.16 1upp n ASN 207 N 9.51 0.00 -3.81 3.32 5.03 -1.26 -4.75 115.26 123.29 1upp n ASN 207 Ca 0.05 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.30 1upp n ASN 207 Cb 0.49 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.09 1upp n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1upp s SER 208 N 0.84 0.92 0.14 6.41 0.15 -1.26 -4.17 113.70 116.73 1upp s SER 208 Ca 0.00 -0.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 1upp s SER 208 Cb 0.00 -0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1upp s SER 208 CO 0.00 -0.12 0.12 -1.10 1.20 0.00 0.00 173.24 173.34 1upp s GLN 209 N 1.33 0.99 0.36 5.44 1.11 -0.14 -4.92 119.66 123.82 1upp s GLN 209 Ca -0.05 -1.36 0.13 0.00 0.01 0.00 0.00 55.36 54.09 1upp s GLN 209 Cb -0.13 0.28 0.96 0.00 -1.01 0.00 0.00 33.01 33.10 1upp s GLN 209 CO -0.02 -0.30 1.79 -1.35 0.01 0.00 0.00 175.29 175.41 1upp h PRO 210 N 2.78 0.52 0.00 2.91 0.11 -2.01 -1.37 132.00 134.94 1upp h PRO 210 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1upp h PRO 210 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1upp h PRO 210 CO 0.56 0.35 -0.03 1.97 -0.21 0.00 0.00 178.00 180.63 1upp n PHE 211 N -4.67 0.12 -3.15 0.65 1.16 -1.26 -4.77 117.46 105.53 1upp n PHE 211 Ca 0.24 0.03 0.05 0.00 -1.87 0.00 0.00 57.45 55.90 1upp n PHE 211 Cb 0.73 -0.54 -0.01 0.00 -1.61 0.00 0.00 39.48 38.04 1upp n PHE 211 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1upp s MET 212 N -3.01 0.30 0.32 3.97 0.00 -0.52 -4.04 119.30 116.32 1upp s MET 212 Ca 0.13 0.48 -0.18 0.00 0.00 0.00 0.00 55.69 56.12 1upp s MET 212 Cb 0.18 0.26 -0.09 0.00 0.00 0.00 0.00 34.83 35.18 1upp s MET 212 CO 0.55 -0.38 0.80 1.03 0.00 0.00 0.00 175.02 177.02 1upp s ARG 213 N 2.92 4.16 0.22 4.11 1.81 -1.20 -0.97 118.95 130.01 1upp s ARG 213 Ca 0.09 0.87 -0.08 0.00 -1.72 0.00 0.00 55.73 54.89 1upp s ARG 213 Cb -0.10 -2.51 0.18 0.00 -0.45 0.00 0.00 34.95 32.06 1upp s ARG 213 CO -0.16 0.18 1.83 0.11 -0.68 0.00 0.00 175.30 176.58 1upp h TRP 214 N 2.53 1.16 -0.28 -0.53 5.08 -1.90 -2.65 115.95 119.36 1upp h TRP 214 Ca -0.48 -0.04 -0.19 0.00 1.08 0.00 0.00 58.89 59.26 1upp h TRP 214 Cb 1.18 -0.37 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1upp h TRP 214 CO 0.62 0.82 -0.57 -0.09 -1.28 0.00 0.00 178.44 177.95 1upp h ARG 215 N 1.17 0.86 -0.68 0.12 2.43 -1.94 0.73 114.38 117.07 1upp h ARG 215 Ca 0.29 -0.56 0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1upp h ARG 215 Cb 0.07 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1upp h ARG 215 CO -0.04 1.19 0.40 -0.44 -1.51 0.00 0.00 179.97 179.56 1upp h ASP 216 N 0.65 0.62 -0.75 -3.80 3.32 -1.94 -2.55 116.42 111.97 1upp h ASP 216 Ca 0.01 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1upp h ASP 216 Cb 1.17 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1upp h ASP 216 CO 0.12 0.41 0.27 -0.09 -1.72 0.00 0.00 179.24 178.24 1upp h ARG 217 N 0.75 1.13 -0.22 3.56 2.43 -0.60 -2.01 114.38 119.42 1upp h ARG 217 Ca 0.29 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1upp h ARG 217 Cb 0.12 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1upp h ARG 217 CO -0.15 0.94 0.00 0.74 -1.51 0.00 0.00 179.97 179.99 1upp h PHE 218 N 1.09 0.42 0.08 2.20 -1.00 -0.55 -0.46 116.94 118.72 1upp h PHE 218 Ca 0.25 -0.07 0.02 0.00 2.81 0.00 0.00 57.97 60.98 1upp h PHE 218 Cb 0.25 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.66 1upp h PHE 218 CO 0.02 0.56 -0.32 1.25 -1.61 0.00 0.00 178.31 178.22 1upp h LEU 219 N 0.15 -0.94 -0.36 1.54 5.85 -1.43 0.29 115.31 120.42 1upp h LEU 219 Ca 0.06 0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 1upp h LEU 219 Cb 0.40 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1upp h LEU 219 CO 0.01 -0.40 -0.55 -0.26 -0.34 0.00 0.00 178.44 176.90 1upp h PHE 220 N -0.52 0.99 -0.07 1.25 0.04 -1.02 -2.28 116.94 115.33 1upp h PHE 220 Ca 0.04 -0.35 -0.03 0.00 2.80 0.00 0.00 57.97 60.43 1upp h PHE 220 Cb 0.57 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1upp h PHE 220 CO -0.31 1.16 -0.07 0.00 -0.60 0.00 0.00 178.31 178.49 1upp h ALA 222 N 1.82 -0.88 -0.67 0.00 0.00 0.12 0.14 119.26 119.80 1upp h ALA 222 Ca 0.02 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1upp h ALA 222 Cb 0.21 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 1upp h ALA 222 CO 0.01 -0.94 -0.48 1.49 0.00 0.00 0.00 179.25 179.34 1upp h GLU 223 N -1.00 -0.19 -0.41 0.00 4.81 -0.95 0.26 114.58 117.11 1upp h GLU 223 Ca -0.09 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1upp h GLU 223 Cb 0.71 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 1upp h GLU 223 CO 0.15 -0.12 -0.11 0.00 -0.73 0.00 0.00 179.01 178.19 1upp h ALA 224 N 0.58 0.26 -0.25 2.92 0.00 -0.58 -1.49 119.26 120.69 1upp h ALA 224 Ca 0.18 0.16 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 1upp h ALA 224 Cb 0.55 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1upp h ALA 224 CO -0.75 -0.46 -0.57 1.37 0.00 0.00 0.00 179.25 178.84 1upp h LEU 225 N -0.01 0.94 -1.43 0.00 8.10 0.55 -0.47 115.31 122.98 1upp h LEU 225 Ca 0.20 -0.55 0.04 0.00 0.11 0.00 0.00 57.88 57.68 1upp h LEU 225 Cb 0.31 -0.27 -0.04 0.00 -0.44 0.00 0.00 40.66 40.23 1upp h LEU 225 CO -0.43 1.32 0.43 1.88 -4.11 0.00 0.00 178.44 177.53 1upp h TYR 226 N 0.60 0.71 -0.49 0.17 0.05 -0.26 -0.90 116.97 116.86 1upp h TYR 226 Ca 0.00 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 1upp h TYR 226 Cb 1.18 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 1upp h TYR 226 CO 0.08 0.40 -0.19 -0.22 -1.05 0.00 0.00 178.16 177.18 1upp h LYS 227 N 0.72 0.99 0.03 4.88 3.64 -0.59 -2.80 116.57 123.46 1upp h LYS 227 Ca 0.26 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1upp h LYS 227 Cb 0.14 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1upp h LYS 227 CO -0.08 1.08 -0.17 0.00 -2.27 0.00 0.00 179.45 178.02 1upp h ALA 228 N 0.91 -0.23 -0.04 5.00 0.00 -0.64 -0.67 119.26 123.59 1upp h ALA 228 Ca 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1upp h ALA 228 Cb 0.76 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1upp h ALA 228 CO 0.06 -0.67 -0.26 0.37 0.00 0.00 0.00 179.25 178.75 1upp h GLN 229 N -0.30 -0.36 -0.95 0.00 4.15 -1.14 0.39 115.11 116.90 1upp h GLN 229 Ca 0.04 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.60 1upp h GLN 229 Cb 0.35 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.04 1upp h GLN 229 CO -0.14 -0.24 0.59 0.00 -1.93 0.00 0.00 178.83 177.10 1upp h ALA 230 N 0.47 1.42 -0.26 3.38 0.00 -1.46 0.37 119.26 123.19 1upp h ALA 230 Ca 0.07 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1upp h ALA 230 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1upp h ALA 230 CO -0.25 0.18 -0.40 1.49 0.00 0.00 0.00 179.25 180.27 1upp h GLU 231 N 0.93 0.73 0.00 0.00 4.81 -0.17 -3.36 114.58 117.53 1upp h GLU 231 Ca 0.47 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1upp h GLU 231 Cb 0.47 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1upp h GLU 231 CO -0.27 1.06 -1.15 0.25 -0.73 0.00 0.00 179.01 178.17 1upp n THR 232 N -4.18 0.07 -1.08 0.32 -2.24 0.04 -4.97 114.28 102.25 1upp n THR 232 Ca -0.05 -0.19 -0.03 0.00 -2.27 0.00 0.00 64.05 61.51 1upp n THR 232 Cb 0.54 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 1upp n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1upp n GLY 233 N 1.40 0.27 3.60 3.38 0.00 0.13 -5.01 105.19 108.96 1upp n GLY 233 Ca 0.02 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1upp n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upp s GLU 234 N -2.16 3.21 0.16 1.61 2.02 -1.25 -5.04 118.70 117.24 1upp s GLU 234 Ca 0.00 -0.47 -0.34 0.00 0.02 0.00 0.00 54.97 54.18 1upp s GLU 234 Cb 0.00 -2.81 -0.14 0.00 0.10 0.00 0.00 34.13 31.28 1upp s GLU 234 CO 0.00 0.53 1.55 -0.89 0.02 0.00 0.00 175.26 176.47 1upp n ILE 235 N 2.68 0.01 -4.51 -1.63 5.41 -1.26 -4.60 119.36 115.45 1upp n ILE 235 Ca -0.18 -0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.28 1upp n ILE 235 Cb 0.53 -1.47 -0.08 0.00 -0.71 0.00 0.00 39.64 37.91 1upp n ILE 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1upp s LYS 236 N 0.86 2.13 0.16 0.38 -0.14 -1.26 -4.87 119.74 116.99 1upp s LYS 236 Ca 0.79 -2.16 -0.17 0.00 -1.36 0.00 0.00 55.97 53.07 1upp s LYS 236 Cb -0.70 -1.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.77 1upp s LYS 236 CO 0.39 -0.24 0.46 0.20 -0.76 0.00 0.00 175.35 175.40 1upp s GLY 237 N -3.87 -0.19 -0.04 -3.33 0.00 -0.88 -4.81 107.32 94.20 1upp s GLY 237 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 1upp s GLY 237 CO 0.13 -0.28 0.02 -1.58 0.00 0.00 0.00 173.10 171.39 1upp s HIS 238 N -3.84 0.32 -0.32 1.90 2.46 -1.26 -2.49 115.29 112.06 1upp s HIS 238 Ca 0.06 0.03 -0.29 0.00 0.47 0.00 0.00 55.06 55.33 1upp s HIS 238 Cb 0.01 -0.51 0.01 0.00 -0.13 0.00 0.00 32.58 31.96 1upp s HIS 238 CO -0.08 -0.19 1.16 0.71 -2.47 0.00 0.00 174.74 173.87 1upp s TYR 239 N 1.51 2.97 -0.46 3.88 2.02 0.17 -4.72 117.35 122.73 1upp s TYR 239 Ca -0.03 1.05 -0.22 0.00 -0.37 0.00 0.00 57.07 57.49 1upp s TYR 239 Cb -0.13 -3.83 0.03 0.00 -0.40 0.00 0.00 41.96 37.63 1upp s TYR 239 CO -0.03 -1.13 0.75 -0.51 -1.57 0.00 0.00 175.55 173.07 1upp s LEU 240 N 3.95 4.34 -0.29 -1.29 1.43 -1.24 -1.12 118.68 124.46 1upp s LEU 240 Ca 0.49 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.08 1upp s LEU 240 Cb -0.13 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1upp s LEU 240 CO 0.19 -0.91 2.02 0.21 0.23 0.00 0.00 176.35 178.10 1upp s ASN 241 N 2.18 5.61 0.00 2.29 3.04 -1.26 -0.97 114.94 125.82 1upp s ASN 241 Ca 0.27 1.55 0.28 0.00 0.04 0.00 0.00 52.86 55.01 1upp s ASN 241 Cb -0.13 -2.52 1.45 0.00 -1.54 0.00 0.00 41.25 38.51 1upp s ASN 241 CO 0.21 -1.89 1.98 0.00 -3.04 0.00 0.00 177.10 174.36 1upp n ALA 242 N 11.24 2.41 -1.63 1.71 0.00 -0.57 -4.89 120.51 128.79 1upp n ALA 242 Ca 0.27 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 53.18 1upp n ALA 242 Cb 0.46 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.48 1upp n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1upp n THR 243 N -1.27 3.06 -3.83 0.00 -1.04 -1.26 -4.40 114.28 105.55 1upp n THR 243 Ca 0.14 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 61.60 1upp n THR 243 Cb 0.22 -1.22 0.01 0.00 -1.82 0.00 0.00 70.33 67.51 1upp n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upp s ALA 244 N -1.38 -1.30 0.16 2.41 0.00 -1.26 -4.82 121.76 115.56 1upp s ALA 244 Ca 0.69 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1upp s ALA 244 Cb -0.48 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1upp s ALA 244 CO 0.52 -1.03 1.38 0.78 0.00 0.00 0.00 175.76 177.41 1upp h GLY 245 N 2.00 0.47 -2.66 0.00 0.00 -1.96 -3.47 103.07 97.46 1upp h GLY 245 Ca -0.28 -0.72 -0.29 0.00 0.00 0.00 0.00 47.33 46.05 1upp h GLY 245 CO 0.34 0.64 -0.65 -0.51 0.00 0.00 0.00 176.54 176.36 1upp s THR 246 N -3.50 0.60 0.30 4.70 -4.23 -1.26 -5.04 115.64 107.20 1upp s THR 246 Ca -0.06 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1upp s THR 246 Cb 0.10 -2.19 0.14 0.00 1.34 0.00 0.00 72.50 71.89 1upp s THR 246 CO 0.85 -0.40 1.83 0.00 -0.54 0.00 0.00 174.62 176.36 1upp h GLU 248 N 0.62 0.10 -0.75 0.00 3.07 -1.99 -0.95 114.58 114.68 1upp h GLU 248 Ca 0.13 -0.03 0.12 0.00 -0.50 0.00 0.00 59.36 59.08 1upp h GLU 248 Cb 0.36 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.18 1upp h GLU 248 CO 0.01 0.31 0.36 -0.44 -1.40 0.00 0.00 179.01 177.86 1upp h ASP 249 N -0.13 0.43 -0.92 1.42 5.19 -1.92 -1.89 116.42 118.60 1upp h ASP 249 Ca 0.02 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1upp h ASP 249 Cb 0.26 0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.74 1upp h ASP 249 CO 0.00 0.22 0.58 -0.03 -3.12 0.00 0.00 179.24 176.89 1upp h MET 250 N 0.57 1.24 -0.00 3.56 1.85 -1.20 -2.66 114.93 118.29 1upp h MET 250 Ca 0.39 -0.10 -0.16 0.00 -0.61 0.00 0.00 59.70 59.22 1upp h MET 250 Cb 0.49 -0.27 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 1upp h MET 250 CO -0.32 0.85 -0.78 0.52 -0.40 0.00 0.00 176.91 176.78 1upp h MET 251 N 1.26 0.01 0.00 0.39 2.86 -0.61 -0.29 114.93 118.56 1upp h MET 251 Ca 0.33 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1upp h MET 251 Cb -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1upp h MET 251 CO -0.07 0.78 -0.03 0.87 1.06 0.00 0.00 176.91 179.53 1upp h LYS 252 N 0.01 0.00 0.16 1.72 1.57 -1.01 -1.36 116.57 117.67 1upp h LYS 252 Ca -0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.47 1upp h LYS 252 Cb 1.37 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.69 1upp h LYS 252 CO 0.10 0.03 -1.48 0.00 -0.57 0.00 0.00 179.45 177.53 1upp h ARG 253 N 0.00 0.34 -0.47 3.15 3.08 -0.92 -2.82 114.38 116.74 1upp h ARG 253 Ca -0.00 -0.58 0.05 0.00 0.07 0.00 0.00 59.98 59.52 1upp h ARG 253 Cb 0.08 0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1upp h ARG 253 CO 0.00 1.28 0.21 0.00 -1.07 0.00 0.00 179.97 180.39 1upp h ALA 254 N 0.05 0.59 -0.72 0.04 0.00 -1.31 0.42 119.26 118.34 1upp h ALA 254 Ca -0.30 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1upp h ALA 254 Cb 1.92 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 1upp h ALA 254 CO 0.14 -0.17 0.47 0.28 0.00 0.00 0.00 179.25 179.97 1upp h VAL 255 N 0.41 1.17 -0.16 0.00 2.07 -1.33 0.12 116.25 118.52 1upp h VAL 255 Ca 0.22 -0.33 -0.19 0.00 0.82 0.00 0.00 66.70 67.22 1upp h VAL 255 Cb 0.17 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1upp h VAL 255 CO -0.18 0.17 -0.65 0.15 0.02 0.00 0.00 177.57 177.08 1upp h PHE 256 N 0.96 0.81 -0.64 1.57 3.57 -1.12 -0.48 116.94 121.60 1upp h PHE 256 Ca 0.27 -0.32 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1upp h PHE 256 Cb -0.09 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 1upp h PHE 256 CO -0.03 1.10 0.35 0.00 -2.23 0.00 0.00 178.31 177.51 1upp h ALA 257 N 0.82 0.86 0.11 2.41 0.00 -0.28 -1.65 119.26 121.52 1upp h ALA 257 Ca -0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1upp h ALA 257 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1upp h ALA 257 CO 0.13 0.02 -0.37 -0.09 0.00 0.00 0.00 179.25 178.94 1upp h ARG 258 N 0.65 -0.58 -0.98 0.00 1.12 -0.30 -2.66 114.38 111.65 1upp h ARG 258 Ca 0.29 0.04 0.18 0.00 -1.11 0.00 0.00 59.98 59.38 1upp h ARG 258 Cb 0.18 0.13 -0.09 0.00 -0.01 0.00 0.00 29.97 30.18 1upp h ARG 258 CO -0.18 -0.38 0.61 1.49 -3.11 0.00 0.00 179.97 178.40 1upp h GLU 259 N -0.60 0.69 0.00 0.20 4.81 -0.95 -2.13 114.58 116.61 1upp h GLU 259 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1upp h GLU 259 Cb 0.63 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1upp h GLU 259 CO -0.22 0.46 0.00 1.28 -0.73 0.00 0.00 179.01 179.80 1upp n LEU 260 N -4.67 0.76 0.00 1.64 4.77 -0.63 -4.93 117.00 113.94 1upp n LEU 260 Ca 0.21 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1upp n LEU 260 Cb 0.56 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1upp n LEU 260 CO 0.25 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1upp n GLY 261 N 1.11 0.58 3.89 -0.72 0.00 -0.80 -5.04 105.19 104.22 1upp n GLY 261 Ca 0.05 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1upp n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upp s VAL 262 N -2.00 3.06 -0.24 1.61 -7.23 -1.24 -5.02 120.40 109.34 1upp s VAL 262 Ca 0.00 0.28 0.23 0.00 -1.81 0.00 0.00 61.98 60.68 1upp s VAL 262 Cb 0.00 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.59 1upp s VAL 262 CO 0.00 -0.42 1.02 -0.81 -0.31 0.00 0.00 175.10 174.58 1upp n PRO 263 N -3.05 0.59 -3.66 4.82 -0.04 -1.26 -4.82 135.00 127.59 1upp n PRO 263 Ca 0.07 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1upp n PRO 263 Cb 0.58 -1.81 -0.08 0.00 -0.04 0.00 0.00 33.50 32.15 1upp n PRO 263 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1upp s ILE 264 N -3.36 -0.09 0.47 0.52 2.07 -1.26 -1.11 121.20 118.43 1upp s ILE 264 Ca -0.01 0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1upp s ILE 264 Cb 0.10 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 1upp s ILE 264 CO 0.79 0.02 0.01 0.68 -1.91 0.00 0.00 174.94 174.53 1upp s VAL 265 N 1.66 1.54 0.31 4.00 -7.23 -0.07 -3.61 120.40 117.00 1upp s VAL 265 Ca -0.09 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.14 1upp s VAL 265 Cb -0.07 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 1upp s VAL 265 CO -0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 175.10 174.62 1upp s MET 266 N -3.81 1.63 -0.13 4.82 0.23 -0.15 -0.58 119.30 121.31 1upp s MET 266 Ca 0.19 -1.87 -0.17 0.00 -1.03 0.00 0.00 55.69 52.81 1upp s MET 266 Cb 0.05 -1.08 0.04 0.00 -1.53 0.00 0.00 34.83 32.32 1upp s MET 266 CO 0.10 -0.06 0.46 -1.58 -2.03 0.00 0.00 175.02 171.90 1upp s HIS 267 N -3.10 -0.46 -0.72 3.16 5.04 -0.64 -1.51 115.29 117.06 1upp s HIS 267 Ca 0.33 1.04 -0.16 0.00 -1.54 0.00 0.00 55.06 54.73 1upp s HIS 267 Cb 0.06 0.18 0.17 0.00 0.04 0.00 0.00 32.58 33.03 1upp s HIS 267 CO 0.14 -0.31 0.72 -0.51 -2.34 0.00 0.00 174.74 172.44 1upp s ASP 268 N -0.20 6.49 0.35 9.88 1.01 -1.26 0.01 116.67 132.94 1upp s ASP 268 Ca -0.04 -2.16 0.02 0.00 0.71 0.00 0.00 52.55 51.08 1upp s ASP 268 Cb -0.03 -2.24 0.62 0.00 1.01 0.00 0.00 42.92 42.27 1upp s ASP 268 CO 0.02 -0.79 1.99 0.10 0.21 0.00 0.00 175.17 176.69 1upp h TYR 269 N 8.44 0.77 0.12 4.23 -0.00 -1.88 -0.34 116.97 128.30 1upp h TYR 269 Ca -0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 58.73 58.35 1upp h TYR 269 Cb 1.06 -0.25 -0.01 0.00 -0.00 0.00 0.00 36.73 37.53 1upp h TYR 269 CO 0.93 0.52 -1.57 -0.07 -0.00 0.00 0.00 178.16 177.96 1upp h LEU 270 N 0.81 0.39 0.15 0.10 3.38 -1.83 0.70 115.31 119.01 1upp h LEU 270 Ca 0.21 -0.56 -0.31 0.00 0.09 0.00 0.00 57.88 57.31 1upp h LEU 270 Cb -0.03 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.60 1upp h LEU 270 CO -0.04 1.47 -1.47 0.71 0.09 0.00 0.00 178.44 179.20 1upp h THR 271 N 0.07 1.24 0.21 0.22 1.35 -1.72 -3.30 112.91 110.99 1upp h THR 271 Ca -0.26 -2.83 -0.01 0.00 -0.55 0.00 0.00 66.41 62.77 1upp h THR 271 Cb 2.02 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 71.30 1upp h THR 271 CO 0.16 0.84 -0.10 1.23 -0.25 0.00 0.00 175.52 177.40 1upp h GLY 272 N 1.32 -0.30 0.00 5.82 0.00 -1.21 -3.50 103.07 105.20 1upp h GLY 272 Ca -0.23 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1upp h GLY 272 CO 0.19 -0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1upp n GLY 273 N -0.59 3.42 0.27 4.60 0.00 0.24 -4.60 105.19 108.53 1upp n GLY 273 Ca -0.09 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.04 1upp n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1upp h PHE 274 N 0.00 0.66 -0.41 1.61 0.04 -1.88 -0.18 116.94 116.79 1upp h PHE 274 Ca 0.00 -0.10 0.02 0.00 2.80 0.00 0.00 57.97 60.69 1upp h PHE 274 Cb 0.00 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 1upp h PHE 274 CO 0.00 0.69 0.24 1.15 -0.60 0.00 0.00 178.31 179.79 1upp h THR 275 N 0.57 1.04 0.02 -1.55 2.02 -1.92 -0.24 112.91 112.86 1upp h THR 275 Ca 0.11 -0.17 -0.21 0.00 0.77 0.00 0.00 66.41 66.91 1upp h THR 275 Cb 0.49 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1upp h THR 275 CO 0.03 0.09 -0.95 0.00 0.37 0.00 0.00 175.52 175.06 1upp h ALA 276 N 1.18 0.43 -0.07 6.16 0.00 -1.74 -1.97 119.26 123.25 1upp h ALA 276 Ca 0.16 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.33 1upp h ALA 276 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1upp h ALA 276 CO -0.07 0.95 -0.04 -0.97 0.00 0.00 0.00 179.25 179.12 1upp h ASN 277 N 0.10 -0.12 -0.46 0.00 -0.73 -0.73 -0.43 115.58 113.22 1upp h ASN 277 Ca -0.06 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 1upp h ASN 277 Cb 1.60 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 40.24 1upp h ASN 277 CO 0.15 -0.05 0.19 0.74 -0.37 0.00 0.00 177.43 178.08 1upp h THR 278 N -0.03 1.20 -0.58 -3.57 2.02 -0.78 0.21 112.91 111.38 1upp h THR 278 Ca 0.04 -0.62 0.11 0.00 0.77 0.00 0.00 66.41 66.71 1upp h THR 278 Cb 0.09 0.76 -0.11 0.00 -1.74 0.00 0.00 68.15 67.15 1upp h THR 278 CO -0.09 0.23 -0.28 0.74 0.37 0.00 0.00 175.52 176.49 1upp h THR 279 N 0.59 0.23 -0.47 3.16 2.02 -1.09 -1.57 112.91 115.78 1upp h THR 279 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1upp h THR 279 Cb 0.19 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1upp h THR 279 CO -0.01 0.00 0.19 0.25 0.37 0.00 0.00 175.52 176.32 1upp h LEU 280 N -0.13 0.60 -0.85 2.58 5.85 -0.05 -2.35 115.31 120.96 1upp h LEU 280 Ca 0.25 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1upp h LEU 280 Cb 0.53 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1upp h LEU 280 CO -0.66 0.55 -0.09 -1.28 -0.34 0.00 0.00 178.44 176.62 1upp h SER 281 N 0.67 0.74 0.72 1.25 0.87 0.31 -1.05 113.55 117.07 1upp h SER 281 Ca 0.16 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1upp h SER 281 Cb 0.13 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1upp h SER 281 CO -0.02 0.87 -0.35 0.45 -0.53 0.00 0.00 176.83 177.25 1upp h HIS 282 N 0.69 -0.92 -0.63 2.24 3.86 -1.20 -2.30 115.15 116.90 1upp h HIS 282 Ca 0.12 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.42 1upp h HIS 282 Cb 0.56 0.31 -0.08 0.00 1.06 0.00 0.00 27.41 29.25 1upp h HIS 282 CO 0.03 -0.57 0.19 -0.92 0.86 0.00 0.00 177.93 177.52 1upp h TYR 283 N -0.98 0.32 -0.50 2.45 3.20 -1.08 -0.72 116.97 119.66 1upp h TYR 283 Ca -0.10 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.71 1upp h TYR 283 Cb 0.75 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1upp h TYR 283 CO -0.03 0.02 -0.04 0.00 -1.64 0.00 0.00 178.16 176.47 1upp h ARG 285 N 0.77 -0.25 0.00 0.00 9.65 -0.80 1.19 114.38 124.94 1upp h ARG 285 Ca 0.14 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1upp h ARG 285 Cb 0.58 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1upp h ARG 285 CO 0.03 -0.17 0.00 -0.25 2.80 0.00 0.00 179.97 182.39 1upp n ASP 286 N -5.40 0.28 0.00 -3.80 8.00 -0.34 -3.03 116.55 112.27 1upp n ASP 286 Ca -0.00 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1upp n ASP 286 Cb 0.31 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1upp n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1upp n ASN 287 N -1.84 0.55 -1.45 -2.24 3.02 -0.15 -5.04 115.26 108.12 1upp n ASN 287 Ca 0.01 -1.16 -0.14 0.00 -0.03 0.00 0.00 54.58 53.27 1upp n ASN 287 Cb 0.10 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 1upp n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upp n GLY 288 N -0.08 0.14 3.68 7.41 0.00 0.40 -5.00 105.19 111.75 1upp n GLY 288 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1upp n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upp s LEU 289 N -3.74 4.21 0.73 0.99 1.43 -0.89 -4.95 118.68 116.46 1upp s LEU 289 Ca 0.00 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 53.88 1upp s LEU 289 Cb 0.00 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1upp s LEU 289 CO 0.00 -0.20 0.77 0.18 0.23 0.00 0.00 176.35 177.33 1upp n LEU 290 N 4.52 2.26 -3.60 1.79 4.77 -0.27 -4.56 117.00 121.90 1upp n LEU 290 Ca -0.02 0.62 -0.27 0.00 -0.03 0.00 0.00 56.01 56.31 1upp n LEU 290 Cb 0.50 -1.32 -0.16 0.00 -2.33 0.00 0.00 43.42 40.11 1upp n LEU 290 CO 0.45 -2.54 -0.33 -0.22 -1.33 0.00 0.00 177.39 173.41 1upp s LEU 291 N -1.92 0.55 -0.21 2.23 2.96 -1.26 -0.90 118.68 120.14 1upp s LEU 291 Ca 0.69 -0.90 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1upp s LEU 291 Cb -0.34 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 1upp s LEU 291 CO 0.54 -0.38 0.33 -2.28 -1.32 0.00 0.00 176.35 173.25 1upp s HIS 292 N 2.08 3.36 -0.20 5.38 5.65 0.25 -0.44 115.29 131.38 1upp s HIS 292 Ca 0.04 0.52 -0.08 0.00 0.25 0.00 0.00 55.06 55.80 1upp s HIS 292 Cb -0.16 -2.45 -0.04 0.00 -1.18 0.00 0.00 32.58 28.75 1upp s HIS 292 CO -0.19 0.02 0.07 0.42 -0.65 0.00 0.00 174.74 174.41 1upp s ILE 293 N 1.20 4.77 0.21 0.89 -1.09 0.70 -1.63 121.20 126.26 1upp s ILE 293 Ca 0.16 -0.04 -0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1upp s ILE 293 Cb -0.14 -3.17 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1upp s ILE 293 CO 0.07 0.43 0.39 -2.28 -1.23 0.00 0.00 174.94 172.32 1upp s HIS 294 N 0.63 3.48 -0.22 3.97 5.65 0.10 -3.26 115.29 125.64 1upp s HIS 294 Ca 0.04 0.30 0.11 0.00 0.25 0.00 0.00 55.06 55.75 1upp s HIS 294 Cb -0.13 -1.82 0.43 0.00 -1.18 0.00 0.00 32.58 29.88 1upp s HIS 294 CO 0.01 0.38 1.23 2.89 -0.65 0.00 0.00 174.74 178.61 1upp n ARG 295 N -0.75 1.68 -1.62 2.88 1.85 -1.26 -3.00 116.66 116.44 1upp n ARG 295 Ca -0.05 -3.34 -0.54 0.00 -1.00 0.00 0.00 57.85 52.92 1upp n ARG 295 Cb 0.54 -1.66 -0.06 0.00 -1.05 0.00 0.00 32.46 30.23 1upp n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1upp n ALA 296 N -1.10 -0.88 0.00 2.89 0.00 -1.26 -0.58 120.51 119.58 1upp n ALA 296 Ca 0.21 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1upp n ALA 296 Cb 0.72 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1upp n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1upp n MET 297 N 3.22 0.00 -0.32 0.00 0.00 -1.26 -4.28 117.12 114.48 1upp n MET 297 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.70 57.90 1upp n MET 297 Cb 0.17 -0.48 0.13 0.00 0.00 0.00 0.00 33.22 33.03 1upp n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1upp h HIS 298 N 0.00 1.03 0.00 1.12 -0.00 -1.27 -1.39 115.15 114.64 1upp h HIS 298 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1upp h HIS 298 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.07 1upp h HIS 298 CO 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 177.93 178.50 1upp h ALA 299 N 1.38 1.00 -0.90 6.11 0.00 -1.93 0.23 119.26 125.16 1upp h ALA 299 Ca 0.36 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.38 1upp h ALA 299 Cb 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1upp h ALA 299 CO -0.14 0.00 0.58 0.28 0.00 0.00 0.00 179.25 179.97 1upp h VAL 300 N 0.00 0.92 0.00 0.00 2.07 -1.66 -2.97 116.25 114.62 1upp h VAL 300 Ca 0.00 -0.28 -0.37 0.00 0.82 0.00 0.00 66.70 66.87 1upp h VAL 300 Cb 0.10 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 29.83 1upp h VAL 300 CO 0.00 0.15 -2.38 -0.38 0.02 0.00 0.00 177.57 174.98 1upp n ILE 301 N -4.55 1.38 -0.12 4.57 5.41 -0.16 -4.76 119.36 121.12 1upp n ILE 301 Ca 0.16 -0.81 0.06 0.00 1.00 0.00 0.00 62.75 63.16 1upp n ILE 301 Cb 0.36 -0.58 0.16 0.00 -0.71 0.00 0.00 39.64 38.88 1upp n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1upp n ASP 302 N -2.80 2.95 0.04 4.38 5.68 0.62 -2.26 116.55 125.18 1upp n ASP 302 Ca -0.34 -1.95 -0.20 0.00 -0.50 0.00 0.00 54.79 51.80 1upp n ASP 302 Cb 1.13 -0.24 -0.11 0.00 -1.14 0.00 0.00 41.12 40.76 1upp n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1upp h ARG 303 N 2.33 0.61 -5.88 0.11 9.65 -1.76 -3.43 114.38 116.02 1upp h ARG 303 Ca 0.00 -0.70 -0.61 0.00 -1.10 0.00 0.00 59.98 57.57 1upp h ARG 303 Cb 0.74 0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 29.46 1upp h ARG 303 CO 0.00 1.29 -0.24 -0.65 2.80 0.00 0.00 179.97 183.17 1upp s GLN 304 N -3.20 3.94 0.47 0.20 -1.52 -1.26 -3.92 119.66 114.37 1upp s GLN 304 Ca -0.11 0.31 0.19 0.00 -1.95 0.00 0.00 55.36 53.80 1upp s GLN 304 Cb 0.06 -3.26 1.17 0.00 -0.22 0.00 0.00 33.01 30.76 1upp s GLN 304 CO 0.90 0.60 1.96 -0.22 -0.25 0.00 0.00 175.29 178.27 1upp h LYS 305 N 5.17 0.26 0.00 2.91 3.64 -1.90 -3.27 116.57 123.38 1upp h LYS 305 Ca -0.50 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 58.60 1upp h LYS 305 Cb 1.21 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1upp h LYS 305 CO 0.64 0.17 -1.80 0.27 -2.27 0.00 0.00 179.45 176.46 1upp n ASN 306 N -4.44 0.64 -3.70 4.20 6.94 -1.26 -4.83 115.26 112.80 1upp n ASN 306 Ca 0.12 0.30 -0.17 0.00 -0.02 0.00 0.00 54.58 54.81 1upp n ASN 306 Cb 0.53 0.31 -0.16 0.00 -2.36 0.00 0.00 39.78 38.10 1upp n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1upp s HIS 307 N -2.69 -0.04 0.00 -2.53 5.04 -1.24 -3.20 115.29 110.63 1upp s HIS 307 Ca -0.06 0.36 0.00 0.00 -1.54 0.00 0.00 55.06 53.82 1upp s HIS 307 Cb 0.08 -0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.39 1upp s HIS 307 CO 0.83 -0.18 0.00 0.41 -2.34 0.00 0.00 174.74 173.45 1upp n GLY 308 N 4.89 0.07 2.73 1.59 0.00 -0.83 -4.34 105.19 109.30 1upp n GLY 308 Ca -0.13 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 1upp n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upp s MET 309 N 0.00 0.13 0.57 1.61 -1.94 -0.96 -0.55 119.30 118.16 1upp s MET 309 Ca 0.00 0.24 -0.21 0.00 -1.71 0.00 0.00 55.69 54.01 1upp s MET 309 Cb 0.00 -0.55 -0.04 0.00 2.01 0.00 0.00 34.83 36.25 1upp s MET 309 CO 0.00 -0.26 1.30 1.58 -0.01 0.00 0.00 175.02 177.63 1upp n HIS 310 N 4.87 2.06 0.21 -0.03 -0.00 -0.33 -3.73 115.22 118.26 1upp n HIS 310 Ca -0.12 0.43 0.05 0.00 0.46 0.00 0.00 57.72 58.54 1upp n HIS 310 Cb 0.50 -2.32 0.47 0.00 -0.12 0.00 0.00 29.99 28.52 1upp n HIS 310 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1upp h PHE 311 N 1.16 0.00 -0.89 1.57 3.57 -1.91 -2.07 116.94 118.38 1upp h PHE 311 Ca -0.50 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.18 1upp h PHE 311 Cb 1.32 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 1upp h PHE 311 CO 0.44 0.25 0.58 0.07 -2.23 0.00 0.00 178.31 177.41 1upp h ARG 312 N 0.00 0.44 0.23 1.11 0.11 -1.92 -0.02 114.38 114.33 1upp h ARG 312 Ca -0.00 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 1upp h ARG 312 Cb 0.45 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1upp h ARG 312 CO 0.03 0.29 -0.11 0.28 0.10 0.00 0.00 179.97 180.57 1upp h VAL 313 N 0.46 0.85 -0.75 0.08 2.07 -1.62 -1.31 116.25 116.02 1upp h VAL 313 Ca 0.46 -0.58 0.09 0.00 0.82 0.00 0.00 66.70 67.49 1upp h VAL 313 Cb 1.06 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1upp h VAL 313 CO -0.18 0.13 0.49 -0.07 0.02 0.00 0.00 177.57 177.95 1upp h LEU 314 N -0.61 0.59 -0.19 2.57 3.38 -1.44 -1.49 115.31 118.11 1upp h LEU 314 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1upp h LEU 314 Cb 0.44 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1upp h LEU 314 CO 0.05 0.36 -0.02 0.00 0.09 0.00 0.00 178.44 178.92 1upp h ALA 315 N 1.62 0.26 -0.07 1.53 0.00 -0.89 -1.34 119.26 120.37 1upp h ALA 315 Ca 0.34 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1upp h ALA 315 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1upp h ALA 315 CO -0.12 0.00 0.01 0.87 0.00 0.00 0.00 179.25 180.01 1upp h LYS 316 N 0.09 0.04 -0.74 0.00 1.57 -1.01 0.38 116.57 116.91 1upp h LYS 316 Ca 0.05 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1upp h LYS 316 Cb 0.43 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 1upp h LYS 316 CO 0.01 0.03 0.40 0.00 -0.57 0.00 0.00 179.45 179.32 1upp h ALA 317 N 1.06 1.02 -0.48 3.86 0.00 -1.32 -0.85 119.26 122.54 1upp h ALA 317 Ca 0.03 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1upp h ALA 317 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1upp h ALA 317 CO -0.05 0.05 0.27 1.25 0.00 0.00 0.00 179.25 180.76 1upp h LEU 318 N 0.71 0.41 -0.50 0.00 7.12 -1.09 0.48 115.31 122.44 1upp h LEU 318 Ca 0.35 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.46 1upp h LEU 318 Cb 0.29 -0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 40.29 1upp h LEU 318 CO -0.23 0.29 0.09 -0.09 -0.13 0.00 0.00 178.44 178.37 1upp h ARG 319 N 0.53 0.22 0.03 1.25 2.43 0.17 -0.90 114.38 118.11 1upp h ARG 319 Ca 0.20 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1upp h ARG 319 Cb 0.07 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1upp h ARG 319 CO -0.12 0.15 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.33 1upp h LEU 320 N 0.23 -0.25 0.50 3.80 3.38 -0.80 -3.28 115.31 118.89 1upp h LEU 320 Ca 0.25 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1upp h LEU 320 Cb 0.34 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1upp h LEU 320 CO -0.33 -0.13 -0.24 -1.28 0.09 0.00 0.00 178.44 176.54 1upp h SER 321 N -0.17 -0.57 0.00 -0.43 0.87 -0.67 -2.39 113.55 110.19 1upp h SER 321 Ca 0.03 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1upp h SER 321 Cb 0.20 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1upp h SER 321 CO -0.07 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 176.56 1upp n GLY 322 N -0.84 4.36 3.31 5.77 0.00 -0.36 -4.36 105.19 113.07 1upp n GLY 322 Ca -0.11 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1upp n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upp s GLY 323 N 0.00 -0.33 0.27 -0.02 0.00 -1.23 -4.80 107.32 101.21 1upp s GLY 323 Ca 0.00 1.34 0.12 0.00 0.00 0.00 0.00 44.72 46.18 1upp s GLY 323 CO 0.00 1.28 1.58 -0.55 0.00 0.00 0.00 173.10 175.40 1upp h ASP 324 N 6.04 0.00 -3.97 1.64 3.32 -1.12 -3.41 116.42 118.92 1upp h ASP 324 Ca -0.30 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.35 1upp h ASP 324 Cb 1.18 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.44 1upp h ASP 324 CO 0.25 0.62 -0.78 -1.00 -1.72 0.00 0.00 179.24 176.62 1upp s HIS 325 N -3.44 0.80 0.03 4.55 3.76 -0.99 -1.74 115.29 118.26 1upp s HIS 325 Ca -0.00 -0.16 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1upp s HIS 325 Cb 0.12 -0.53 -0.02 0.00 1.11 0.00 0.00 32.58 33.25 1upp s HIS 325 CO 0.76 -0.03 -0.07 -1.50 -0.85 0.00 0.00 174.74 173.04 1upp s ILE 326 N -0.10 0.46 0.42 0.60 2.07 -0.66 -0.21 121.20 123.78 1upp s ILE 326 Ca 0.02 -0.97 -0.26 0.00 -1.41 0.00 0.00 60.65 58.02 1upp s ILE 326 Cb -0.05 -0.53 -0.10 0.00 0.13 0.00 0.00 42.46 41.92 1upp s ILE 326 CO -0.00 -0.35 1.46 1.41 -1.91 0.00 0.00 174.94 175.55 1upp n HIS 327 N 1.62 2.85 -0.88 3.50 8.25 -1.20 -0.31 115.22 129.05 1upp n HIS 327 Ca -0.22 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1upp n HIS 327 Cb 0.55 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 29.17 1upp n HIS 327 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1upp n SER 328 N 0.08 0.20 -0.06 0.41 3.41 0.35 -4.75 113.62 113.26 1upp n SER 328 Ca 0.03 -1.08 0.01 0.00 -0.26 0.00 0.00 58.87 57.57 1upp n SER 328 Cb 0.40 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1upp n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upp n GLY 329 N -0.04 -2.03 0.02 5.00 0.00 -1.24 -4.93 105.19 101.97 1upp n GLY 329 Ca 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 1upp n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upp n THR 330 N -2.53 0.27 0.00 2.61 -2.24 -1.26 -4.30 114.28 106.83 1upp n THR 330 Ca -0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1upp n THR 330 Cb 0.03 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1upp n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1upp n VAL 331 N -2.09 0.00 0.80 2.28 0.31 -1.26 -4.43 118.33 113.94 1upp n VAL 331 Ca -0.07 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.38 1upp n VAL 331 Cb 0.57 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.60 1upp n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1upp n VAL 332 N 0.00 0.10 -0.77 2.52 0.24 -1.26 -4.66 118.33 114.50 1upp n VAL 332 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1upp n VAL 332 Cb 0.00 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 1upp n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1upp n GLY 333 N 1.44 0.38 0.14 7.63 0.00 -1.26 -4.31 105.19 109.21 1upp n GLY 333 Ca 0.04 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1upp n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1upp h LYS 334 N 0.00 0.00 -6.31 1.61 2.10 -1.01 -3.44 116.57 109.52 1upp h LYS 334 Ca 0.00 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.05 1upp h LYS 334 Cb 0.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 1upp h LYS 334 CO 0.00 0.00 -0.64 -0.51 -2.00 0.00 0.00 179.45 176.30 1upp s LEU 335 N -4.69 3.43 0.29 7.07 1.43 -1.26 -5.03 118.68 119.92 1upp s LEU 335 Ca 0.06 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 1upp s LEU 335 Cb 0.10 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1upp s LEU 335 CO 0.47 0.09 1.05 -0.70 0.23 0.00 0.00 176.35 177.50 1upp s GLU 336 N -2.93 4.62 -0.30 1.70 2.12 -1.26 -4.58 118.70 118.07 1upp s GLU 336 Ca 0.28 1.68 -0.17 0.00 0.36 0.00 0.00 54.97 57.12 1upp s GLU 336 Cb -0.10 -3.10 0.17 0.00 0.26 0.00 0.00 34.13 31.37 1upp s GLU 336 CO 0.20 0.23 1.19 0.20 -0.54 0.00 0.00 175.26 176.53 1upp s GLY 337 N -1.07 -0.18 0.10 -1.50 0.00 -1.26 -4.92 107.32 98.49 1upp s GLY 337 Ca 0.46 3.02 -0.30 0.00 0.00 0.00 0.00 44.72 47.90 1upp s GLY 337 CO 0.37 3.96 1.06 -0.54 0.00 0.00 0.00 173.10 177.94 1upp s GLU 338 N 2.98 4.58 0.16 2.90 0.41 -1.26 -4.15 118.70 124.32 1upp s GLU 338 Ca -0.06 1.60 -0.28 0.00 -0.41 0.00 0.00 54.97 55.82 1upp s GLU 338 Cb -0.08 -3.36 -0.00 0.00 -1.78 0.00 0.00 34.13 28.91 1upp s GLU 338 CO -0.09 0.01 1.56 -0.09 -0.49 0.00 0.00 175.26 176.17 1upp h ARG 339 N 5.95 -0.24 -0.23 1.61 2.43 -1.98 -0.34 114.38 121.58 1upp h ARG 339 Ca -0.43 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1upp h ARG 339 Cb 1.21 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1upp h ARG 339 CO 0.75 -0.16 0.08 -0.44 -1.51 0.00 0.00 179.97 178.69 1upp h ASP 340 N -0.25 0.10 -0.22 -3.80 5.19 -1.94 0.76 116.42 116.26 1upp h ASP 340 Ca 0.16 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 1upp h ASP 340 Cb 0.56 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1upp h ASP 340 CO -0.69 0.09 0.05 0.40 -3.12 0.00 0.00 179.24 175.97 1upp h ILE 341 N 0.19 1.16 -0.05 0.35 2.04 -1.68 -2.17 117.51 117.35 1upp h ILE 341 Ca 0.10 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1upp h ILE 341 Cb 0.06 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1upp h ILE 341 CO -0.10 0.20 -0.08 0.74 0.00 0.00 0.00 178.15 178.91 1upp h THR 342 N 0.44 1.41 -0.82 -0.27 2.02 -0.62 -1.28 112.91 113.79 1upp h THR 342 Ca 0.10 -1.36 0.11 0.00 0.77 0.00 0.00 66.41 66.03 1upp h THR 342 Cb 0.21 2.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.76 1upp h THR 342 CO -0.00 0.37 0.53 -0.07 0.37 0.00 0.00 175.52 176.72 1upp h LEU 343 N -0.35 0.66 0.00 2.58 3.38 -0.73 -1.46 115.31 119.39 1upp h LEU 343 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1upp h LEU 343 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1upp h LEU 343 CO 0.02 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1upp n GLY 344 N -1.44 -3.47 0.23 0.83 0.00 -0.83 -2.45 105.19 98.06 1upp n GLY 344 Ca 0.14 0.60 -0.00 0.00 0.00 0.00 0.00 46.02 46.76 1upp n GLY 344 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1upp h PHE 345 N 0.00 0.35 -1.00 1.61 -5.15 -0.86 -2.18 116.94 109.72 1upp h PHE 345 Ca 0.00 -0.06 0.16 0.00 -0.20 0.00 0.00 57.97 57.87 1upp h PHE 345 Cb 0.00 -0.09 -0.09 0.00 0.22 0.00 0.00 35.95 35.98 1upp h PHE 345 CO -0.08 0.52 0.62 0.28 -2.00 0.00 0.00 178.31 177.65 1upp h VAL 346 N 0.29 0.81 -0.38 0.88 2.07 -1.31 0.18 116.25 118.79 1upp h VAL 346 Ca 0.05 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1upp h VAL 346 Cb 0.54 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1upp h VAL 346 CO 0.04 0.16 0.24 0.44 0.02 0.00 0.00 177.57 178.47 1upp h ASP 347 N 0.86 0.45 -0.21 0.57 5.19 -1.07 -2.45 116.42 119.76 1upp h ASP 347 Ca 0.53 -0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.97 1upp h ASP 347 Cb 0.71 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1upp h ASP 347 CO -0.32 0.35 0.15 -0.07 -3.12 0.00 0.00 179.24 176.23 1upp h LEU 348 N 0.51 0.00 0.00 1.55 3.38 -0.68 -1.84 115.31 118.23 1upp h LEU 348 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1upp h LEU 348 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1upp h LEU 348 CO -0.03 0.00 -0.95 -0.07 0.09 0.00 0.00 178.44 177.48 1upp h LEU 349 N 0.00 0.00 0.00 1.67 3.38 -0.85 -3.42 115.31 116.09 1upp h LEU 349 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1upp h LEU 349 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1upp h LEU 349 CO -0.00 0.19 -1.41 0.54 0.09 0.00 0.00 178.44 177.85 1upp n ARG 350 N -2.82 0.18 -3.07 1.13 1.74 -0.96 0.48 116.66 113.34 1upp n ARG 350 Ca -0.02 0.04 -0.25 0.00 -0.77 0.00 0.00 57.85 56.85 1upp n ARG 350 Cb 0.64 -1.13 -0.00 0.00 -1.02 0.00 0.00 32.46 30.94 1upp n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1upp s ASP 351 N -4.74 6.23 0.33 0.55 1.01 -0.73 -4.15 116.67 115.17 1upp s ASP 351 Ca -0.10 0.60 0.17 0.00 0.71 0.00 0.00 52.55 53.94 1upp s ASP 351 Cb 0.03 -2.05 0.31 0.00 1.01 0.00 0.00 42.92 42.22 1upp s ASP 351 CO 0.16 -0.45 1.56 -0.78 0.21 0.00 0.00 175.17 175.88 1upp h ASP 352 N 0.52 0.00 -3.55 0.27 3.58 -1.89 -3.46 116.42 111.89 1upp h ASP 352 Ca -0.48 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 56.74 1upp h ASP 352 Cb 1.22 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.97 1upp h ASP 352 CO 0.61 0.42 -0.59 -0.47 -2.88 0.00 0.00 179.24 176.34 1upp s TYR 353 N -3.19 -0.16 -0.22 0.28 5.04 -1.26 -0.68 117.35 117.17 1upp s TYR 353 Ca 0.03 0.44 -0.04 0.00 -2.44 0.00 0.00 57.07 55.07 1upp s TYR 353 Cb 0.08 -0.04 0.11 0.00 0.35 0.00 0.00 41.96 42.46 1upp s TYR 353 CO 0.72 -0.13 0.26 0.99 -1.34 0.00 0.00 175.55 176.05 1upp s THR 354 N 0.80 -0.40 0.41 4.34 2.01 -0.93 -5.00 115.64 116.87 1upp s THR 354 Ca -0.06 -0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.57 1upp s THR 354 Cb -0.08 -0.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.62 1upp s THR 354 CO -0.04 -0.20 1.18 -0.70 -0.69 0.00 0.00 174.62 174.17 1upp s GLU 355 N 2.38 4.00 0.14 4.92 2.12 -1.26 -0.25 118.70 130.76 1upp s GLU 355 Ca 0.08 1.86 -0.23 0.00 0.36 0.00 0.00 54.97 57.04 1upp s GLU 355 Cb -0.16 -2.64 -0.14 0.00 0.26 0.00 0.00 34.13 31.45 1upp s GLU 355 CO -0.14 -0.37 0.46 1.17 -0.54 0.00 0.00 175.26 175.85 1upp n LYS 356 N -0.00 0.00 -2.99 4.30 4.81 -1.26 -4.78 118.16 118.24 1upp n LYS 356 Ca 0.05 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.49 1upp n LYS 356 Cb 0.46 -0.84 -0.00 0.00 0.02 0.00 0.00 35.03 34.67 1upp n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1upp s ASP 357 N -0.72 -1.03 0.55 3.14 -1.08 0.92 -4.94 116.67 113.51 1upp s ASP 357 Ca 0.54 -0.60 0.30 0.00 -0.52 0.00 0.00 52.55 52.27 1upp s ASP 357 Cb -0.77 1.32 1.60 0.00 -1.46 0.00 0.00 42.92 43.60 1upp s ASP 357 CO 0.45 -0.10 2.12 0.03 0.52 0.00 0.00 175.17 178.19 1upp h ARG 358 N 6.14 0.00 -0.07 4.34 2.47 -1.92 -0.95 114.38 124.39 1upp h ARG 358 Ca 0.02 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1upp h ARG 358 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1upp h ARG 358 CO 0.02 0.08 -0.06 0.66 0.56 0.00 0.00 179.97 181.23 1upp h SER 359 N 0.00 0.09 -0.40 7.04 4.64 -1.96 -2.62 113.55 120.35 1upp h SER 359 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1upp h SER 359 Cb 0.28 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1upp h SER 359 CO 0.01 0.18 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 1upp n ARG 360 N -4.40 3.41 -0.99 4.77 1.74 -0.39 -4.78 116.66 116.01 1upp n ARG 360 Ca -0.02 -2.78 0.00 0.00 -0.77 0.00 0.00 57.85 54.29 1upp n ARG 360 Cb 0.18 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1upp n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1upp n GLY 361 N 0.15 0.49 3.51 -0.13 0.00 -0.99 -4.43 105.19 103.79 1upp n GLY 361 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1upp n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upp s ILE 362 N -2.09 3.99 -0.40 -0.61 1.01 -1.00 -4.93 121.20 117.17 1upp s ILE 362 Ca 0.00 0.05 0.22 0.00 0.00 0.00 0.00 60.65 60.92 1upp s ILE 362 Cb 0.00 -4.82 0.29 0.00 0.01 0.00 0.00 42.46 37.94 1upp s ILE 362 CO 0.00 -1.69 1.55 1.88 0.00 0.00 0.00 174.94 176.68 1upp h TYR 363 N 9.82 0.00 -3.98 3.97 -1.99 -1.94 0.26 116.97 123.11 1upp h TYR 363 Ca -0.27 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.11 1upp h TYR 363 Cb 1.06 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 39.55 1upp h TYR 363 CO 1.06 0.04 -0.76 -0.06 -0.00 0.00 0.00 178.16 178.45 1upp s PHE 364 N -3.20 0.85 0.31 4.88 0.08 -1.26 -4.89 117.98 114.75 1upp s PHE 364 Ca 0.06 -0.36 -0.29 0.00 0.12 0.00 0.00 56.93 56.46 1upp s PHE 364 Cb 0.06 -0.51 -0.10 0.00 -0.57 0.00 0.00 43.02 41.90 1upp s PHE 364 CO 0.69 -0.02 1.15 0.99 -0.10 0.00 0.00 175.22 177.93 1upp s THR 365 N -0.93 3.30 -0.09 0.64 2.01 -1.26 -3.98 115.64 115.32 1upp s THR 365 Ca -0.03 1.28 -0.01 0.00 0.31 0.00 0.00 61.69 63.24 1upp s THR 365 Cb -0.08 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1upp s THR 365 CO 0.01 0.28 -0.03 -1.58 -0.69 0.00 0.00 174.62 172.61 1upp s GLN 366 N -1.63 0.99 0.22 4.92 2.00 0.65 -4.84 119.66 121.97 1upp s GLN 366 Ca 0.47 -0.05 0.08 0.00 -2.00 0.00 0.00 55.36 53.85 1upp s GLN 366 Cb -0.33 -1.21 -0.04 0.00 0.80 0.00 0.00 33.01 32.23 1upp s GLN 366 CO 0.43 -0.27 0.07 -1.12 -0.50 0.00 0.00 175.29 173.89 1upp s SER 367 N 1.80 4.99 0.00 6.67 0.01 -1.26 -2.19 113.70 123.72 1upp s SER 367 Ca 0.04 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1upp s SER 367 Cb -0.12 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 64.98 1upp s SER 367 CO -0.06 0.03 0.47 0.79 0.41 0.00 0.00 173.24 174.88 1upp n TRP 368 N -0.65 0.00 -3.87 2.43 7.02 0.15 -4.79 117.44 117.74 1upp n TRP 368 Ca -0.08 -0.10 -0.25 0.00 -1.02 0.00 0.00 57.50 56.05 1upp n TRP 368 Cb 0.57 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.39 1upp n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1upp n VAL 369 N -0.10 -0.94 -0.92 -0.99 0.24 -1.26 -0.53 118.33 113.82 1upp n VAL 369 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1upp n VAL 369 Cb 0.17 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1upp n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1upp n SER 370 N -1.91 -3.12 -4.46 -1.34 7.64 -1.26 -4.98 113.62 104.19 1upp n SER 370 Ca -0.21 0.00 -0.55 0.00 1.01 0.00 0.00 58.87 59.12 1upp n SER 370 Cb 0.50 -1.76 -0.06 0.00 -1.01 0.00 0.00 64.21 61.88 1upp n SER 370 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1upp n THR 371 N -2.35 0.78 -2.35 0.44 -1.04 0.31 -4.88 114.28 105.19 1upp n THR 371 Ca 0.00 -0.19 -0.36 0.00 -2.04 0.00 0.00 64.05 61.46 1upp n THR 371 Cb 0.17 -0.03 -0.01 0.00 -1.82 0.00 0.00 70.33 68.64 1upp n THR 371 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1upp s PRO 372 N -0.39 3.68 0.46 -2.82 0.02 -1.26 -4.88 135.00 129.82 1upp s PRO 372 Ca 0.80 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 63.39 1upp s PRO 372 Cb -1.13 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 1upp s PRO 372 CO 0.56 -0.57 0.75 0.20 -0.33 0.00 0.00 177.00 177.61 1upp s GLY 373 N -1.65 1.47 -0.17 0.52 0.00 -1.26 -4.67 107.32 101.57 1upp s GLY 373 Ca 0.67 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.73 1upp s GLY 373 CO 0.28 -0.45 0.01 0.14 0.00 0.00 0.00 173.10 173.08 1upp s VAL 374 N -2.67 4.30 -0.27 1.40 1.01 0.18 -2.10 120.40 122.25 1upp s VAL 374 Ca 0.46 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1upp s VAL 374 Cb -0.10 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1upp s VAL 374 CO 0.43 0.47 1.39 -0.22 0.00 0.00 0.00 175.10 177.18 1upp s LEU 375 N 0.41 3.90 0.38 3.92 2.96 -0.71 -4.31 118.68 125.23 1upp s LEU 375 Ca -0.01 1.35 -0.27 0.00 -0.22 0.00 0.00 54.13 54.99 1upp s LEU 375 Cb -0.13 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 1upp s LEU 375 CO 0.02 -1.11 1.32 -2.16 -1.32 0.00 0.00 176.35 173.10 1upp s PRO 376 N 4.28 4.08 -0.23 0.98 0.04 -1.26 -1.65 135.00 141.23 1upp s PRO 376 Ca 0.61 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.88 1upp s PRO 376 Cb -0.19 -2.86 0.06 0.00 0.04 0.00 0.00 34.50 31.54 1upp s PRO 376 CO 0.24 -0.42 -0.08 0.08 0.04 0.00 0.00 177.00 176.86 1upp s VAL 377 N -1.21 1.76 -0.30 -0.36 1.01 0.58 -0.34 120.40 121.54 1upp s VAL 377 Ca 0.54 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1upp s VAL 377 Cb -0.39 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1upp s VAL 377 CO 0.52 -0.01 0.59 0.00 0.00 0.00 0.00 175.10 176.19 1upp s ALA 378 N 1.30 3.54 -0.02 5.51 0.00 -0.26 -0.49 121.76 131.34 1upp s ALA 378 Ca -0.06 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1upp s ALA 378 Cb -0.19 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1upp s ALA 378 CO -0.06 -1.00 0.29 0.45 0.00 0.00 0.00 175.76 175.43 1upp s SER 379 N 1.63 -0.17 0.00 0.00 0.15 -1.26 -1.52 113.70 112.52 1upp s SER 379 Ca 0.23 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1upp s SER 379 Cb -0.15 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1upp s SER 379 CO 0.11 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1upp n GLY 380 N 1.42 1.57 2.19 9.45 0.00 -1.26 -4.62 105.19 113.95 1upp n GLY 380 Ca -0.21 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 1upp n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upp n GLY 381 N 0.00 0.66 3.91 -0.02 0.00 -1.26 -0.60 105.19 107.88 1upp n GLY 381 Ca 0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1upp n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upp s ILE 382 N -2.31 4.52 0.09 -0.61 -4.36 -1.26 -4.12 121.20 113.15 1upp s ILE 382 Ca 0.00 -1.17 -0.01 0.00 -0.26 0.00 0.00 60.65 59.20 1upp s ILE 382 Cb 0.00 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.18 1upp s ILE 382 CO 0.00 -0.28 0.14 0.00 0.24 0.00 0.00 174.94 175.04 1upp n HIS 383 N -1.38 -0.82 0.03 1.37 1.44 -1.26 -4.24 115.22 110.35 1upp n HIS 383 Ca -0.06 -0.57 0.04 0.00 -2.01 0.00 0.00 57.72 55.13 1upp n HIS 383 Cb 0.58 0.16 0.45 0.00 0.12 0.00 0.00 29.99 31.29 1upp n HIS 383 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1upp h VAL 384 N 1.25 1.09 -0.09 0.61 -1.51 -1.93 0.49 116.25 116.17 1upp h VAL 384 Ca -0.07 -0.17 -0.10 0.00 -1.23 0.00 0.00 66.70 65.13 1upp h VAL 384 Cb 0.30 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1upp h VAL 384 CO 0.10 0.09 -0.38 -0.50 -1.23 0.00 0.00 177.57 175.65 1upp h TRP 385 N 0.50 0.22 0.00 5.19 4.06 -1.96 -1.96 115.95 122.00 1upp h TRP 385 Ca 0.13 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1upp h TRP 385 Cb -0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.05 1upp h TRP 385 CO 0.00 0.55 0.00 0.72 -3.56 0.00 0.00 178.44 176.15 1upp n HIS 386 N -4.06 0.00 -0.08 0.49 8.25 0.16 -4.21 115.22 115.77 1upp n HIS 386 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1upp n HIS 386 Cb 0.45 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1upp n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1upp h MET 387 N 0.00 0.18 -0.02 -0.41 -1.53 -1.30 -2.07 114.93 109.78 1upp h MET 387 Ca 0.00 -0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.28 1upp h MET 387 Cb 0.09 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.05 1upp h MET 387 CO 0.00 0.12 -0.21 -1.35 0.14 0.00 0.00 176.91 175.61 1upp h PRO 388 N 0.19 -0.32 -0.64 0.39 0.11 -1.81 -1.08 132.00 128.83 1upp h PRO 388 Ca 0.14 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.34 1upp h PRO 388 Cb 0.14 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.26 1upp h PRO 388 CO -0.17 -0.21 0.33 0.00 -0.21 0.00 0.00 178.00 177.73 1upp h ALA 389 N 0.57 0.86 0.47 -0.75 0.00 -1.68 -0.61 119.26 118.12 1upp h ALA 389 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1upp h ALA 389 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1upp h ALA 389 CO -0.21 -0.03 -0.23 -0.07 0.00 0.00 0.00 179.25 178.72 1upp h LEU 390 N 0.59 -0.54 -0.61 0.00 3.38 -0.90 0.32 115.31 117.57 1upp h LEU 390 Ca 0.30 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.34 1upp h LEU 390 Cb 0.25 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 1upp h LEU 390 CO -0.22 -0.27 0.06 0.74 0.09 0.00 0.00 178.44 178.84 1upp h THR 391 N -0.79 0.55 -0.35 0.22 2.02 -0.87 0.36 112.91 114.06 1upp h THR 391 Ca -0.06 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1upp h THR 391 Cb 0.55 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1upp h THR 391 CO 0.11 0.03 -0.17 -0.08 0.37 0.00 0.00 175.52 175.78 1upp h GLU 392 N 0.17 0.64 -0.00 6.66 4.22 -0.89 0.19 114.58 125.57 1upp h GLU 392 Ca 0.32 -0.22 -0.07 0.00 0.08 0.00 0.00 59.36 59.47 1upp h GLU 392 Cb 0.51 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1upp h GLU 392 CO -0.47 0.78 -0.26 0.82 -2.18 0.00 0.00 179.01 177.69 1upp h ILE 393 N 0.58 1.54 0.00 2.32 2.04 0.47 -3.38 117.51 121.07 1upp h ILE 393 Ca 0.09 -1.95 -0.24 0.00 1.00 0.00 0.00 64.86 63.76 1upp h ILE 393 Cb 0.61 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 39.41 1upp h ILE 393 CO 0.04 0.54 -2.22 0.49 0.00 0.00 0.00 178.15 176.99 1upp n PHE 394 N -4.49 0.04 -3.85 1.37 3.72 0.12 -4.99 117.46 109.38 1upp n PHE 394 Ca -0.10 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1upp n PHE 394 Cb 0.51 -0.84 -0.00 0.00 -0.94 0.00 0.00 39.48 38.21 1upp n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upp n GLY 395 N 1.58 -1.98 0.36 1.37 0.00 0.65 -4.21 105.19 102.96 1upp n GLY 395 Ca -0.23 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.45 1upp n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1upp h ASP 396 N -0.01 0.98 -1.71 1.61 5.19 -1.88 -3.35 116.42 117.24 1upp h ASP 396 Ca 0.00 0.02 -0.73 0.00 -0.62 0.00 0.00 57.03 55.70 1upp h ASP 396 Cb 0.01 -0.18 -0.15 0.00 0.18 0.00 0.00 39.33 39.19 1upp h ASP 396 CO 0.00 0.60 1.69 0.47 -3.12 0.00 0.00 179.24 178.88 1upp n ASP 397 N -4.55 5.10 -3.58 6.45 8.00 -1.26 -3.29 116.55 123.42 1upp n ASP 397 Ca 0.16 -2.98 -0.11 0.00 0.71 0.00 0.00 54.79 52.57 1upp n ASP 397 Cb 0.23 -1.60 -0.03 0.00 -0.02 0.00 0.00 41.12 39.70 1upp n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1upp s SER 398 N 2.83 -0.39 -0.16 -2.24 1.04 -1.26 -4.20 113.70 109.32 1upp s SER 398 Ca 0.45 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 1upp s SER 398 Cb 0.01 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1upp s SER 398 CO 0.01 -0.98 -0.12 -0.69 0.98 0.00 0.00 173.24 172.45 1upp s VAL 399 N -3.80 3.00 -0.19 5.02 1.01 0.54 -1.83 120.40 124.14 1upp s VAL 399 Ca 0.04 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1upp s VAL 399 Cb -0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1upp s VAL 399 CO -0.09 0.50 0.07 -0.76 0.00 0.00 0.00 175.10 174.81 1upp s LEU 400 N 0.80 3.78 -0.09 3.92 1.43 0.28 -1.11 118.68 127.70 1upp s LEU 400 Ca -0.04 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1upp s LEU 400 Cb -0.15 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1upp s LEU 400 CO 0.01 0.15 -0.11 -1.10 0.23 0.00 0.00 176.35 175.53 1upp s GLN 401 N 0.52 1.68 -0.42 1.70 -0.21 -0.58 0.84 119.66 123.19 1upp s GLN 401 Ca 0.03 -0.37 0.02 0.00 0.02 0.00 0.00 55.36 55.07 1upp s GLN 401 Cb -0.13 -1.51 0.15 0.00 1.00 0.00 0.00 33.01 32.53 1upp s GLN 401 CO 0.01 -0.09 0.28 -0.06 -2.12 0.00 0.00 175.29 173.32 1upp s PHE 402 N 1.05 1.39 0.00 0.91 0.40 -0.16 -4.26 117.98 117.30 1upp s PHE 402 Ca -0.07 -2.19 0.00 0.00 -0.60 0.00 0.00 56.93 54.07 1upp s PHE 402 Cb -0.15 -1.30 0.00 0.00 0.51 0.00 0.00 43.02 42.08 1upp s PHE 402 CO -0.01 -0.79 0.07 0.41 0.70 0.00 0.00 175.22 175.59 1upp n GLY 403 N 3.35 0.78 0.31 4.36 0.00 -1.26 -2.87 105.19 109.87 1upp n GLY 403 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1upp n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1upp h GLY 404 N 0.00 1.47 1.74 -0.02 0.00 -1.91 0.49 103.07 104.84 1upp h GLY 404 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1upp h GLY 404 CO 0.00 -0.38 0.00 0.61 0.00 0.00 0.00 176.54 176.77 1upp n GLY 405 N -1.37 -0.69 0.50 4.60 0.00 -1.26 -0.64 105.19 106.33 1upp n GLY 405 Ca 0.23 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1upp n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1upp n THR 406 N -1.37 0.99 1.75 2.61 -1.04 0.15 -4.57 114.28 112.80 1upp n THR 406 Ca 0.04 -0.13 0.13 0.00 -2.04 0.00 0.00 64.05 62.05 1upp n THR 406 Cb 0.09 -1.78 0.79 0.00 -1.82 0.00 0.00 70.33 67.61 1upp n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upp n LEU 407 N -3.79 0.00 -0.02 -4.42 4.32 -0.19 -2.87 117.00 110.03 1upp n LEU 407 Ca -0.27 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 55.78 1upp n LEU 407 Cb 0.64 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.31 1upp n LEU 407 CO 0.04 0.00 -0.74 0.61 -1.22 0.00 0.00 177.39 176.08 1upp n GLY 408 N 0.73 -0.76 3.15 -0.72 0.00 0.18 -4.94 105.19 102.83 1upp n GLY 408 Ca 0.20 -0.38 -0.53 0.00 0.00 0.00 0.00 46.02 45.31 1upp n GLY 408 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1upp n HIS 409 N -2.14 0.62 0.29 1.61 -0.00 -1.14 -4.87 115.22 109.58 1upp n HIS 409 Ca -0.06 0.96 0.14 0.00 -0.00 0.00 0.00 57.72 58.76 1upp n HIS 409 Cb 0.50 -1.88 0.86 0.00 -0.00 0.00 0.00 29.99 29.47 1upp n HIS 409 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1upp h PRO 410 N 2.77 0.00 -0.02 1.57 0.13 -1.91 -2.28 132.00 132.26 1upp h PRO 410 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1upp h PRO 410 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1upp h PRO 410 CO 0.60 0.04 -0.42 0.91 -0.23 0.00 0.00 178.00 178.90 1upp n TRP 411 N -3.75 0.00 0.00 1.56 7.02 -1.26 -5.09 117.44 115.91 1upp n TRP 411 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1upp n TRP 411 Cb 0.13 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1upp n TRP 411 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1upp n GLY 412 N 1.38 -1.05 0.18 6.99 0.00 -0.86 -4.63 105.19 107.20 1upp n GLY 412 Ca 0.09 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 1upp n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1upp h ASN 413 N 0.00 0.56 -0.48 1.61 2.35 -1.87 -1.23 115.58 116.52 1upp h ASN 413 Ca 0.00 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.36 1upp h ASN 413 Cb 0.00 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1upp h ASN 413 CO 0.00 0.78 0.11 0.00 -1.65 0.00 0.00 177.43 176.67 1upp h ALA 414 N 0.81 0.64 -0.03 -0.83 0.00 -1.85 0.15 119.26 118.13 1upp h ALA 414 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1upp h ALA 414 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1upp h ALA 414 CO 0.02 0.33 -0.50 -1.35 0.00 0.00 0.00 179.25 177.75 1upp h PRO 415 N 0.66 0.08 0.57 0.00 0.11 -1.80 -0.93 132.00 130.69 1upp h PRO 415 Ca 0.15 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 1upp h PRO 415 Cb 0.33 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.45 1upp h PRO 415 CO 0.00 0.57 -0.28 0.78 -0.21 0.00 0.00 178.00 178.86 1upp h GLY 416 N 1.45 -0.80 -0.56 -0.55 0.00 -0.09 -0.95 103.07 101.57 1upp h GLY 416 Ca -0.00 0.30 0.16 0.00 0.00 0.00 0.00 47.33 47.78 1upp h GLY 416 CO 0.07 -0.29 -0.19 0.00 0.00 0.00 0.00 176.54 176.13 1upp h ALA 417 N -0.72 0.52 -0.37 3.60 0.00 -1.00 -1.82 119.26 119.47 1upp h ALA 417 Ca -0.08 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1upp h ALA 417 Cb 0.65 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1upp h ALA 417 CO 0.13 -0.41 0.23 0.28 0.00 0.00 0.00 179.25 179.48 1upp h VAL 418 N 0.00 1.12 -0.95 0.00 2.07 -0.76 -0.64 116.25 117.10 1upp h VAL 418 Ca 0.38 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.75 1upp h VAL 418 Cb 0.58 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1upp h VAL 418 CO -0.80 0.12 0.60 0.00 0.02 0.00 0.00 177.57 177.51 1upp h ALA 419 N 1.10 1.63 -0.21 1.67 0.00 -0.62 0.64 119.26 123.48 1upp h ALA 419 Ca 0.13 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1upp h ALA 419 Cb -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1upp h ALA 419 CO -0.03 0.14 -0.26 -0.91 0.00 0.00 0.00 179.25 178.19 1upp h ASN 420 N 0.89 0.59 0.12 0.00 -0.26 -0.58 -1.83 115.58 114.51 1upp h ASN 420 Ca 0.46 -0.50 -0.29 0.00 -0.56 0.00 0.00 56.30 55.41 1upp h ASN 420 Cb 0.53 -0.17 0.03 0.00 -1.06 0.00 0.00 38.32 37.65 1upp h ASN 420 CO -0.23 0.97 -1.22 -0.09 -1.06 0.00 0.00 177.43 175.80 1upp h ARG 421 N 0.22 0.61 -0.03 0.81 9.65 -0.69 -2.20 114.38 122.76 1upp h ARG 421 Ca 0.03 -0.82 0.04 0.00 -1.10 0.00 0.00 59.98 58.12 1upp h ARG 421 Cb 0.83 0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 29.63 1upp h ARG 421 CO 0.06 1.37 -0.36 0.28 2.80 0.00 0.00 179.97 184.13 1upp h VAL 422 N 0.24 0.24 -0.69 0.20 2.07 -0.96 -1.64 116.25 115.70 1upp h VAL 422 Ca -0.19 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.48 1upp h VAL 422 Cb 1.90 0.24 -0.11 0.00 -1.52 0.00 0.00 31.29 31.80 1upp h VAL 422 CO 0.23 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.94 1upp h ALA 423 N 0.17 0.82 -0.06 1.67 0.00 -1.24 -1.23 119.26 119.39 1upp h ALA 423 Ca 0.06 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1upp h ALA 423 Cb 0.60 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1upp h ALA 423 CO -0.31 -0.35 0.02 1.25 0.00 0.00 0.00 179.25 179.86 1upp h LEU 424 N 0.22 0.09 -1.00 0.00 5.85 -1.43 -2.41 115.31 116.63 1upp h LEU 424 Ca 0.38 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1upp h LEU 424 Cb 0.63 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1upp h LEU 424 CO -0.51 0.28 0.04 -0.33 -0.34 0.00 0.00 178.44 177.57 1upp h GLU 425 N -0.10 0.75 -0.59 1.25 5.08 -0.95 -1.13 114.58 118.90 1upp h GLU 425 Ca 0.02 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1upp h GLU 425 Cb 0.22 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1upp h GLU 425 CO -0.00 0.74 0.39 0.00 -1.00 0.00 0.00 179.01 179.14 1upp h ALA 426 N 1.33 1.83 0.04 3.43 0.00 -1.31 0.30 119.26 124.87 1upp h ALA 426 Ca 0.15 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1upp h ALA 426 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1upp h ALA 426 CO 0.01 0.07 -1.00 0.00 0.00 0.00 0.00 179.25 178.34 1upp h VAL 428 N 0.12 1.27 0.04 0.00 2.07 -0.92 0.26 116.25 119.08 1upp h VAL 428 Ca -0.07 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 1upp h VAL 428 Cb 1.67 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1upp h VAL 428 CO 0.16 0.49 -0.02 -0.61 0.02 0.00 0.00 177.57 177.62 1upp h GLN 429 N 0.80 -0.05 -0.04 1.57 4.15 -0.36 -0.91 115.11 120.28 1upp h GLN 429 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.55 1upp h GLN 429 Cb 0.87 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.51 1upp h GLN 429 CO 0.08 0.40 -0.37 0.00 -1.93 0.00 0.00 178.83 177.01 1upp h ALA 430 N 0.42 -0.55 -0.36 3.38 0.00 -1.15 -1.71 119.26 119.29 1upp h ALA 430 Ca -0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1upp h ALA 430 Cb 0.47 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1upp h ALA 430 CO 0.01 -0.89 -0.21 -0.09 0.00 0.00 0.00 179.25 178.07 1upp h ARG 431 N -0.51 -0.15 0.00 0.00 2.43 -0.35 -1.87 114.38 113.94 1upp h ARG 431 Ca 0.06 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1upp h ARG 431 Cb 0.61 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1upp h ARG 431 CO -0.32 -0.10 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.06 1upp h ASN 432 N -0.15 0.00 1.84 -3.80 -0.26 -0.94 -0.50 115.58 111.77 1upp h ASN 432 Ca 0.18 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1upp h ASN 432 Cb 0.43 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1upp h ASN 432 CO -0.45 0.07 -0.02 -0.33 -1.06 0.00 0.00 177.43 175.63 1upp h GLU 433 N 0.00 0.00 0.00 0.81 5.08 -0.49 -3.47 114.58 116.51 1upp h GLU 433 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1upp h GLU 433 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1upp h GLU 433 CO 0.01 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1upp n GLY 434 N 0.95 1.59 3.92 -3.84 0.00 -0.20 -5.10 105.19 102.52 1upp n GLY 434 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1upp n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upp s ARG 435 N -0.10 3.42 -0.39 1.61 0.52 -1.05 -5.04 118.95 117.91 1upp s ARG 435 Ca 0.00 0.03 -0.13 0.00 -0.52 0.00 0.00 55.73 55.11 1upp s ARG 435 Cb 0.00 -2.43 0.02 0.00 0.52 0.00 0.00 34.95 33.06 1upp s ARG 435 CO 0.00 -0.21 0.26 0.34 0.02 0.00 0.00 175.30 175.71 1upp s ASP 436 N -4.13 5.97 0.34 0.23 -1.08 -1.26 -4.58 116.67 112.17 1upp s ASP 436 Ca 0.47 -0.88 0.04 0.00 -0.52 0.00 0.00 52.55 51.66 1upp s ASP 436 Cb -0.10 -2.11 0.61 0.00 -1.46 0.00 0.00 42.92 39.86 1upp s ASP 436 CO 0.43 -0.40 1.90 -0.07 0.52 0.00 0.00 175.17 177.54 1upp h LEU 437 N 8.55 0.52 -0.12 -1.34 3.38 -1.94 0.69 115.31 125.06 1upp h LEU 437 Ca -0.27 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.40 1upp h LEU 437 Cb 1.12 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1upp h LEU 437 CO 0.70 0.55 -0.75 0.00 0.09 0.00 0.00 178.44 179.03 1upp h ALA 438 N 1.52 0.25 -0.09 1.53 0.00 -1.93 -2.75 119.26 117.79 1upp h ALA 438 Ca 0.12 -0.59 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1upp h ALA 438 Cb 0.27 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1upp h ALA 438 CO 0.00 0.61 -0.64 0.00 0.00 0.00 0.00 179.25 179.22 1upp h ARG 439 N 0.42 0.59 -0.24 0.00 3.08 -1.97 -3.39 114.38 112.87 1upp h ARG 439 Ca -0.06 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.47 1upp h ARG 439 Cb 1.39 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1upp h ARG 439 CO 0.15 1.14 0.00 0.39 -1.07 0.00 0.00 179.97 180.58 1upp n GLU 440 N -4.12 2.81 0.00 0.04 1.02 0.24 -4.77 120.64 115.86 1upp n GLU 440 Ca -0.09 -2.78 -0.12 0.00 -0.02 0.00 0.00 57.16 54.16 1upp n GLU 440 Cb 0.68 -1.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 1upp n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1upp h GLY 441 N 1.68 0.09 1.34 0.62 0.00 -1.66 -1.02 103.07 104.13 1upp h GLY 441 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1upp h GLY 441 CO 0.20 0.05 0.05 3.43 0.00 0.00 0.00 176.54 180.26 1upp h ASN 442 N -0.05 0.77 -0.47 0.19 4.21 -1.87 -1.72 115.58 116.64 1upp h ASN 442 Ca 0.02 -0.17 -0.07 0.00 1.21 0.00 0.00 56.30 57.29 1upp h ASN 442 Cb 0.14 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 1upp h ASN 442 CO -0.00 0.81 0.03 0.74 -1.29 0.00 0.00 177.43 177.71 1upp h THR 443 N 0.76 1.26 -0.26 2.81 2.02 -1.83 0.59 112.91 118.26 1upp h THR 443 Ca 0.16 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1upp h THR 443 Cb 0.40 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1upp h THR 443 CO 0.01 0.35 -0.00 0.40 0.37 0.00 0.00 175.52 176.65 1upp h ILE 444 N 0.67 1.26 0.06 3.11 2.04 -0.60 -0.46 117.51 123.58 1upp h ILE 444 Ca 0.14 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.11 1upp h ILE 444 Cb 0.46 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1upp h ILE 444 CO 0.02 0.29 -0.25 0.40 0.00 0.00 0.00 178.15 178.61 1upp h ILE 445 N 0.25 0.43 -0.58 -0.67 1.08 -1.35 -1.91 117.51 114.76 1upp h ILE 445 Ca 0.07 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.66 1upp h ILE 445 Cb 0.42 0.43 -0.11 0.00 -3.07 0.00 0.00 36.82 34.49 1upp h ILE 445 CO 0.01 0.00 -0.25 0.03 -0.69 0.00 0.00 178.15 177.25 1upp h ARG 446 N -0.42 -0.10 -0.64 2.37 3.08 -0.70 -1.14 114.38 116.83 1upp h ARG 446 Ca 0.05 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.21 1upp h ARG 446 Cb 0.48 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.47 1upp h ARG 446 CO -0.18 -0.07 0.24 0.93 -1.07 0.00 0.00 179.97 179.82 1upp h GLU 447 N -0.10 0.40 0.00 0.04 5.08 -0.85 -2.54 114.58 116.61 1upp h GLU 447 Ca 0.26 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1upp h GLU 447 Cb 0.51 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1upp h GLU 447 CO -0.65 0.27 -0.28 0.00 -1.00 0.00 0.00 179.01 177.35 1upp h ALA 448 N 1.45 1.07 0.00 3.43 0.00 -0.40 -2.38 119.26 122.43 1upp h ALA 448 Ca 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1upp h ALA 448 Cb 0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1upp h ALA 448 CO -0.33 0.35 -0.02 1.79 0.00 0.00 0.00 179.25 181.05 1upp h THR 449 N 0.00 0.07 -0.24 0.00 1.35 -1.16 -1.89 112.91 111.04 1upp h THR 449 Ca -0.00 -0.31 -0.07 0.00 -0.55 0.00 0.00 66.41 65.47 1upp h THR 449 Cb 0.74 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1upp h THR 449 CO 0.04 0.02 -0.17 0.11 -0.25 0.00 0.00 175.52 175.26 1upp h LYS 450 N 0.00 0.42 -0.05 4.72 1.79 -1.48 -3.17 116.57 118.80 1upp h LYS 450 Ca -0.00 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1upp h LYS 450 Cb 0.28 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1upp h LYS 450 CO 0.00 0.59 0.00 -2.67 -1.08 0.00 0.00 179.45 176.29 1upp n TRP 451 N -4.19 0.06 -3.93 -1.35 4.27 -1.08 -4.90 117.44 106.32 1upp n TRP 451 Ca -0.00 -0.07 -0.30 0.00 -3.89 0.00 0.00 57.50 53.24 1upp n TRP 451 Cb 0.34 -0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.13 1upp n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1upp s SER 452 N -0.87 4.05 0.21 -0.67 0.15 -0.73 -5.00 113.70 110.84 1upp s SER 452 Ca 0.13 -1.40 0.10 0.00 0.70 0.00 0.00 55.95 55.48 1upp s SER 452 Cb 0.09 -1.23 0.06 0.00 -1.71 0.00 0.00 66.02 63.22 1upp s SER 452 CO 0.13 -0.28 1.43 1.55 1.20 0.00 0.00 173.24 177.27 1upp h PRO 453 N 7.91 0.00 -0.10 5.44 0.13 -1.89 -1.81 132.00 141.68 1upp h PRO 453 Ca -0.15 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1upp h PRO 453 Cb 1.05 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1upp h PRO 453 CO 0.44 0.76 -0.17 0.93 -0.23 0.00 0.00 178.00 179.73 1upp h GLU 454 N 0.00 -0.22 -0.73 0.86 3.07 -1.94 -1.35 114.58 114.28 1upp h GLU 454 Ca -0.01 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1upp h GLU 454 Cb 1.46 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.39 1upp h GLU 454 CO 0.10 -0.15 0.43 1.25 -1.40 0.00 0.00 179.01 179.24 1upp h LEU 455 N -0.23 0.87 -0.62 1.33 5.85 -1.77 -2.44 115.31 118.30 1upp h LEU 455 Ca 0.08 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1upp h LEU 455 Cb 0.35 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1upp h LEU 455 CO -0.23 0.68 0.28 0.00 -0.34 0.00 0.00 178.44 178.82 1upp h ALA 456 N 1.47 0.80 0.00 1.25 0.00 -1.10 0.36 119.26 122.04 1upp h ALA 456 Ca 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1upp h ALA 456 Cb -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1upp h ALA 456 CO -0.05 0.38 -0.00 0.00 0.00 0.00 0.00 179.25 179.58 1upp h ALA 457 N 1.11 -0.01 -0.38 0.00 0.00 -1.03 -1.04 119.26 117.92 1upp h ALA 457 Ca 0.21 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1upp h ALA 457 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1upp h ALA 457 CO -0.02 -0.38 -0.15 0.00 0.00 0.00 0.00 179.25 178.70 1upp h ALA 458 N 0.73 0.17 -0.69 0.00 0.00 -1.18 -2.41 119.26 115.88 1upp h ALA 458 Ca -0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1upp h ALA 458 Cb 0.26 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1upp h ALA 458 CO 0.00 -0.51 0.38 0.00 0.00 0.00 0.00 179.25 179.12 1upp h GLU 460 N 0.95 0.47 -0.99 0.00 5.08 -1.04 -2.24 114.58 116.80 1upp h GLU 460 Ca 0.24 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1upp h GLU 460 Cb 0.04 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 1upp h GLU 460 CO -0.04 0.31 0.64 0.28 -1.00 0.00 0.00 179.01 179.20 1upp h VAL 461 N 0.48 1.11 -0.02 3.13 2.07 -0.97 -3.27 116.25 118.78 1upp h VAL 461 Ca 0.16 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1upp h VAL 461 Cb 0.01 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.60 1upp h VAL 461 CO -0.08 0.22 -0.16 0.79 0.02 0.00 0.00 177.57 178.36 1upp n TRP 462 N -4.49 0.07 -0.11 1.57 8.01 -1.12 -4.79 117.44 116.59 1upp n TRP 462 Ca 0.15 -1.17 -0.08 0.00 -1.31 0.00 0.00 57.50 55.08 1upp n TRP 462 Cb 0.16 -0.20 -0.03 0.00 -2.01 0.00 0.00 31.31 29.24 1upp n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1upp h LYS 463 N 0.42 -0.28 0.00 -0.99 3.64 -1.46 -3.01 116.57 114.89 1upp h LYS 463 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1upp h LYS 463 Cb 1.04 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1upp h LYS 463 CO 0.02 -0.19 -0.31 0.39 -2.27 0.00 0.00 179.45 177.09 1upp n GLU 464 N -5.42 0.09 -1.93 1.90 -0.58 -1.26 -4.89 120.64 108.55 1upp n GLU 464 Ca 0.00 0.04 -0.43 0.00 -0.42 0.00 0.00 57.16 56.36 1upp n GLU 464 Cb 0.34 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 1upp n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1upp s ILE 465 N -3.04 3.43 0.10 -3.67 -1.09 -1.14 -4.99 121.20 110.80 1upp s ILE 465 Ca 0.11 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 59.03 1upp s ILE 465 Cb 0.17 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1upp s ILE 465 CO 0.64 -0.19 -0.07 -0.54 -1.23 0.00 0.00 174.94 173.54 1upp s LYS 466 N 5.02 0.86 -0.37 2.79 1.02 -1.26 -5.04 119.74 122.75 1upp s LYS 466 Ca 0.81 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1upp s LYS 466 Cb -0.30 -0.30 0.13 0.00 -0.52 0.00 0.00 37.83 36.84 1upp s LYS 466 CO 0.33 0.01 0.19 -0.06 -0.92 0.00 0.00 175.35 174.90 1upp s PHE 467 N -3.38 1.27 -0.21 3.18 0.08 -1.26 -5.08 117.98 112.58 1upp s PHE 467 Ca 0.11 -1.85 -0.02 0.00 0.12 0.00 0.00 56.93 55.30 1upp s PHE 467 Cb 0.04 -1.38 0.06 0.00 -0.57 0.00 0.00 43.02 41.17 1upp s PHE 467 CO -0.03 -0.82 0.00 -1.21 -0.10 0.00 0.00 175.22 173.06 1upp s GLU 468 N 1.01 0.99 0.18 0.44 2.02 -1.26 -4.80 118.70 117.28 1upp s GLU 468 Ca 0.16 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1upp s GLU 468 Cb -0.22 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1upp s GLU 468 CO -0.07 -0.62 0.07 -0.06 0.02 0.00 0.00 175.26 174.60 1upp s PHE 469 N 1.70 1.16 0.17 1.61 0.08 -1.26 -5.13 117.98 116.31 1upp s PHE 469 Ca -0.03 -1.21 -0.32 0.00 0.12 0.00 0.00 56.93 55.49 1upp s PHE 469 Cb -0.18 -0.64 -0.10 0.00 -0.57 0.00 0.00 43.02 41.53 1upp s PHE 469 CO -0.07 -0.44 1.62 -2.14 -0.10 0.00 0.00 175.22 174.08 1upp s PRO 470 N -4.04 4.19 0.57 0.24 0.02 -1.26 -5.00 135.00 129.71 1upp s PRO 470 Ca 0.31 2.43 -0.06 0.00 0.02 0.00 0.00 61.00 63.69 1upp s PRO 470 Cb 0.07 -3.18 -0.00 0.00 0.02 0.00 0.00 34.50 31.40 1upp s PRO 470 CO 0.07 -0.66 0.89 0.00 -0.33 0.00 0.00 177.00 176.97 1upp s ALA 471 N 1.32 3.30 -0.25 -1.55 0.00 -1.26 -5.03 121.76 118.28 1upp s ALA 471 Ca 0.72 -0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1upp s ALA 471 Cb -0.45 -2.65 -0.16 0.00 0.00 0.00 0.00 23.12 19.86 1upp s ALA 471 CO 0.32 -0.70 -0.19 -1.33 0.00 0.00 0.00 175.76 173.85 1upp n MET 472 N -2.54 0.63 -3.30 0.00 2.81 -1.26 -4.86 117.12 108.60 1upp n MET 472 Ca 0.04 0.23 -0.44 0.00 -1.81 0.00 0.00 57.70 55.72 1upp n MET 472 Cb 0.57 -1.54 -0.07 0.00 -0.71 0.00 0.00 33.22 31.47 1upp n MET 472 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1upp s ASP 473 N -6.97 6.17 0.18 7.83 2.15 -1.25 -4.27 116.67 120.51 1upp s ASP 473 Ca -0.35 -1.28 0.04 0.00 0.43 0.00 0.00 52.55 51.38 1upp s ASP 473 Cb 0.11 -2.22 -0.05 0.00 -0.30 0.00 0.00 42.92 40.46 1upp s ASP 473 CO 0.57 -0.77 -0.05 0.42 -0.17 0.00 0.00 175.17 175.18 1upp s THR 474 N 1.96 1.04 -0.39 1.71 -4.23 -1.26 -4.68 115.64 109.79 1upp s THR 474 Ca 0.07 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1upp s THR 474 Cb -0.24 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.57 1upp s THR 474 CO 0.08 -0.56 0.60 0.52 -0.54 0.00 0.00 174.62 174.71