#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 1.60 0.04 0.00 1.04 -1.26 -5.16 113.70 109.96 1upp s SER 10 Ca 0.00 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1upp s SER 10 Cb 0.00 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1upp s SER 10 CO 0.00 -0.04 -0.12 -0.69 0.98 0.00 0.00 173.24 173.36 1upp s VAL 11 N -1.11 0.95 0.81 5.02 1.01 -1.26 -5.15 120.40 120.67 1upp s VAL 11 Ca -0.01 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 1upp s VAL 11 Cb -0.09 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.43 1upp s VAL 11 CO 0.02 -0.11 0.81 -0.62 0.00 0.00 0.00 175.10 175.20 1upp n GLU 12 N 1.77 0.13 -3.04 2.72 1.02 -1.26 -4.93 120.64 117.06 1upp n GLU 12 Ca -0.19 0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.64 1upp n GLU 12 Cb 0.55 -2.11 -0.06 0.00 -0.02 0.00 0.00 31.44 29.80 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 -2.10 3.22 -0.42 -0.32 5.36 -1.26 -5.02 117.98 117.44 1upp s PHE 13 Ca 0.67 0.72 -0.04 0.00 -0.96 0.00 0.00 56.93 57.32 1upp s PHE 13 Cb -0.29 -3.07 0.11 0.00 -0.34 0.00 0.00 43.02 39.43 1upp s PHE 13 CO 0.57 -0.49 0.22 0.21 -1.46 0.00 0.00 175.22 174.27 1upp s LYS 14 N 2.74 2.14 0.81 10.12 2.20 -1.26 -5.09 119.74 131.39 1upp s LYS 14 Ca 0.28 -1.77 -0.13 0.00 -0.36 0.00 0.00 55.97 54.00 1upp s LYS 14 Cb -0.15 -3.64 0.08 0.00 -1.51 0.00 0.00 37.83 32.62 1upp s LYS 14 CO 0.11 -1.07 1.18 0.00 -0.36 0.00 0.00 175.35 175.22 1upp s ALA 15 N 1.20 1.86 0.00 3.13 0.00 -1.26 -4.81 121.76 121.87 1upp s ALA 15 Ca 0.07 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1upp s ALA 15 Cb -0.23 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1upp s ALA 15 CO -0.03 -2.25 0.00 0.41 0.00 0.00 0.00 175.76 173.89 1upp n GLY 16 N 0.29 1.85 3.89 0.00 0.00 -1.26 -4.94 105.19 105.01 1upp n GLY 16 Ca 0.13 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.66 5.31 0.42 1.61 0.11 -1.26 -1.11 120.40 123.82 1upp s VAL 17 Ca 0.00 0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1upp s VAL 17 Cb 0.00 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 1upp s VAL 17 CO 0.00 0.35 0.06 -0.54 -3.33 0.00 0.00 175.10 171.64 1upp s LYS 18 N -1.82 1.95 0.37 1.54 1.02 -1.26 -4.97 119.74 116.57 1upp s LYS 18 Ca 0.28 -2.18 -0.26 0.00 0.02 0.00 0.00 55.97 53.83 1upp s LYS 18 Cb -0.13 -1.07 -0.09 0.00 -0.52 0.00 0.00 37.83 36.02 1upp s LYS 18 CO 0.17 -0.33 1.12 -0.51 -0.92 0.00 0.00 175.35 174.89 1upp s ASP 19 N -3.67 6.78 0.28 2.83 1.01 -1.26 -4.95 116.67 117.69 1upp s ASP 19 Ca 0.23 2.26 0.00 0.00 0.71 0.00 0.00 52.55 55.74 1upp s ASP 19 Cb 0.05 -2.61 0.41 0.00 1.01 0.00 0.00 42.92 41.77 1upp s ASP 19 CO 0.12 -0.49 1.79 1.88 0.21 0.00 0.00 175.17 178.68 1upp h TYR 20 N 2.92 0.74 0.00 4.23 0.05 -1.93 -2.94 116.97 120.04 1upp h TYR 20 Ca -0.48 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.20 1upp h TYR 20 Cb 1.22 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.76 1upp h TYR 20 CO 0.57 0.71 -0.01 1.57 -1.05 0.00 0.00 178.16 179.95 1upp h LYS 21 N 0.66 0.00 -0.04 4.88 2.10 -1.83 -0.97 116.57 121.36 1upp h LYS 21 Ca 0.13 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.79 1upp h LYS 21 Cb 0.43 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1upp h LYS 21 CO 0.02 0.01 0.05 -0.07 -2.00 0.00 0.00 179.45 177.46 1upp h LEU 22 N 0.00 0.00 0.00 7.07 3.38 -1.85 -2.99 115.31 120.92 1upp h LEU 22 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1upp h LEU 22 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1upp h LEU 22 CO 0.00 0.00 -0.87 0.41 0.09 0.00 0.00 178.44 178.07 1upp n THR 23 N -3.69 0.00 0.54 0.22 -1.04 -0.55 -4.86 114.28 104.91 1upp n THR 23 Ca -0.02 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.05 1upp n THR 23 Cb 0.14 -0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.87 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 -1.95 0.00 -3.55 -1.42 4.01 -0.48 -4.85 117.16 108.92 1upp n TYR 24 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1upp n TYR 24 Cb 0.43 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.78 3.22 -0.42 -0.72 5.04 -1.13 -1.08 117.35 120.48 1upp s TYR 25 Ca 0.08 -0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.31 1upp s TYR 25 Cb 0.09 -2.47 0.17 0.00 0.35 0.00 0.00 41.96 40.11 1upp s TYR 25 CO 0.38 -0.45 0.37 0.99 -1.34 0.00 0.00 175.55 175.49 1upp s THR 26 N 1.67 0.20 -0.37 4.34 2.01 0.20 -4.86 115.64 118.83 1upp s THR 26 Ca 0.05 -2.44 0.26 0.00 0.31 0.00 0.00 61.69 59.87 1upp s THR 26 Cb -0.18 -1.13 0.29 0.00 0.01 0.00 0.00 72.50 71.49 1upp s THR 26 CO 0.09 -1.11 1.78 1.55 -0.69 0.00 0.00 174.62 176.23 1upp h PRO 27 N 5.66 0.00 -0.01 4.92 0.13 -1.73 -2.94 132.00 138.03 1upp h PRO 27 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1upp h PRO 27 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1upp h PRO 27 CO 0.33 0.00 -0.61 0.39 -0.23 0.00 0.00 178.00 177.88 1upp n GLU 28 N -2.46 1.15 -1.69 0.86 -0.58 -1.26 -4.71 120.64 111.94 1upp n GLU 28 Ca 0.02 -0.55 -0.44 0.00 -0.42 0.00 0.00 57.16 55.77 1upp n GLU 28 Cb 0.28 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 1upp n GLU 28 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1upp n TYR 29 N -0.63 2.45 -3.47 -0.32 9.36 -1.11 -4.99 117.16 118.44 1upp n TYR 29 Ca 0.06 0.25 -0.42 0.00 3.32 0.00 0.00 57.90 61.12 1upp n TYR 29 Cb 0.37 -2.56 -0.10 0.00 -0.63 0.00 0.00 39.34 36.42 1upp n TYR 29 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1upp s GLU 30 N 0.43 3.21 0.27 2.98 2.02 -1.26 -4.98 118.70 121.38 1upp s GLU 30 Ca 0.73 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 1upp s GLU 30 Cb -0.61 -3.91 -0.14 0.00 0.10 0.00 0.00 34.13 29.58 1upp s GLU 30 CO 0.41 -0.63 1.17 0.25 0.02 0.00 0.00 175.26 176.48 1upp n THR 31 N 5.17 1.61 -2.63 3.63 -2.24 -1.26 -4.99 114.28 113.56 1upp n THR 31 Ca -0.11 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 1upp n THR 31 Cb 0.48 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.11 3.73 0.35 3.22 1.43 -1.26 -4.99 118.68 121.26 1upp s LEU 32 Ca 0.62 1.33 0.26 0.00 -1.03 0.00 0.00 54.13 55.31 1upp s LEU 32 Cb -0.69 -4.24 1.20 0.00 0.03 0.00 0.00 46.19 42.49 1upp s LEU 32 CO 0.57 -0.49 1.79 0.44 0.23 0.00 0.00 176.35 178.89 1upp h ASP 33 N 1.07 0.00 0.35 2.29 3.32 -2.03 -2.70 116.42 118.72 1upp h ASP 33 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1upp h ASP 33 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1upp h ASP 33 CO 0.63 0.00 -0.63 0.35 -1.72 0.00 0.00 179.24 177.87 1upp n THR 34 N -2.43 0.00 -1.73 0.35 -2.24 -1.26 -4.42 114.28 102.55 1upp n THR 34 Ca 0.01 -0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1upp n THR 34 Cb 0.18 0.47 0.06 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.98 4.82 -0.17 3.42 1.01 -1.02 -4.03 116.67 117.73 1upp s ASP 35 Ca 0.11 2.23 -0.11 0.00 0.71 0.00 0.00 52.55 55.49 1upp s ASP 35 Cb 0.17 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1upp s ASP 35 CO 0.74 -1.83 0.20 -0.63 0.21 0.00 0.00 175.17 173.85 1upp s ILE 36 N -2.00 5.37 -0.18 0.77 1.09 0.23 -4.16 121.20 122.32 1upp s ILE 36 Ca 0.72 0.34 -0.03 0.00 -1.10 0.00 0.00 60.65 60.58 1upp s ILE 36 Cb -0.26 -3.52 -0.02 0.00 -1.06 0.00 0.00 42.46 37.60 1upp s ILE 36 CO 0.40 0.46 -0.05 -0.76 -0.10 0.00 0.00 174.94 174.88 1upp s LEU 37 N 0.13 3.04 0.01 2.97 1.43 -0.84 -0.34 118.68 125.07 1upp s LEU 37 Ca 0.12 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1upp s LEU 37 Cb -0.12 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1upp s LEU 37 CO 0.01 0.10 0.06 0.00 0.23 0.00 0.00 176.35 176.75 1upp s ALA 38 N 0.79 3.50 -0.39 4.21 0.00 0.61 -0.28 121.76 130.19 1upp s ALA 38 Ca -0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 1upp s ALA 38 Cb -0.15 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.55 1upp s ALA 38 CO 0.02 0.69 0.20 0.00 0.00 0.00 0.00 175.76 176.67 1upp s ALA 39 N -1.20 3.19 -0.22 0.00 0.00 0.15 -1.72 121.76 121.97 1upp s ALA 39 Ca 0.23 -2.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.05 1upp s ALA 39 Cb -0.12 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 1upp s ALA 39 CO 0.14 -1.55 0.12 -0.06 0.00 0.00 0.00 175.76 174.41 1upp s PHE 40 N 1.39 3.30 -0.52 0.00 0.08 0.51 -0.73 117.98 122.01 1upp s PHE 40 Ca 0.02 0.15 -0.28 0.00 0.12 0.00 0.00 56.93 56.94 1upp s PHE 40 Cb -0.22 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.05 1upp s PHE 40 CO 0.02 0.09 1.37 0.50 -0.10 0.00 0.00 175.22 177.10 1upp s ARG 41 N 0.80 3.42 -0.05 0.44 3.52 -0.06 0.09 118.95 127.11 1upp s ARG 41 Ca 0.06 0.55 0.04 0.00 -0.13 0.00 0.00 55.73 56.26 1upp s ARG 41 Cb -0.13 -4.07 -0.02 0.00 -1.56 0.00 0.00 34.95 29.17 1upp s ARG 41 CO 0.02 -1.78 -0.17 0.08 -0.81 0.00 0.00 175.30 172.65 1upp s VAL 42 N 5.65 2.84 -0.41 7.11 1.01 -0.30 -1.87 120.40 134.43 1upp s VAL 42 Ca 0.53 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1upp s VAL 42 Cb -0.11 -2.09 0.12 0.00 0.00 0.00 0.00 36.38 34.31 1upp s VAL 42 CO 0.27 0.59 0.19 -0.44 0.00 0.00 0.00 175.10 175.71 1upp s SER 43 N -0.65 3.89 0.71 3.32 0.01 -0.45 -1.77 113.70 118.77 1upp s SER 43 Ca 0.10 -2.38 -0.15 0.00 1.31 0.00 0.00 55.95 54.83 1upp s SER 43 Cb -0.11 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.05 1upp s SER 43 CO 0.00 -0.31 1.16 -2.16 0.41 0.00 0.00 173.24 172.34 1upp s PRO 44 N 0.66 2.38 0.73 12.44 0.04 -1.25 0.60 135.00 150.60 1upp s PRO 44 Ca 0.15 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 1upp s PRO 44 Cb -0.22 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1upp s PRO 44 CO -0.06 -1.61 1.13 -0.65 0.04 0.00 0.00 177.00 175.85 1upp s GLN 45 N -4.03 2.28 0.03 4.56 -1.52 -0.77 -4.54 119.66 115.68 1upp s GLN 45 Ca 0.71 1.45 -0.39 0.00 -1.95 0.00 0.00 55.36 55.18 1upp s GLN 45 Cb -0.25 -1.88 -0.19 0.00 -0.22 0.00 0.00 33.01 30.47 1upp s GLN 45 CO 0.44 -1.66 1.12 -2.30 -0.25 0.00 0.00 175.29 172.64 1upp n PRO 46 N -2.98 0.30 0.00 2.91 -0.02 -1.26 -2.75 135.00 131.21 1upp n PRO 46 Ca 0.11 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1upp n PRO 46 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.77 1.15 3.40 -1.23 0.00 -1.26 -5.04 105.19 103.98 1upp n GLY 47 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.17 4.18 0.39 1.61 1.01 -1.11 -5.07 120.40 119.25 1upp s VAL 48 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1upp s VAL 48 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 1upp s VAL 48 CO 0.00 0.21 1.36 -2.84 0.00 0.00 0.00 175.10 173.83 1upp s PRO 49 N 1.57 4.03 0.35 2.72 0.02 -1.26 -4.82 135.00 137.61 1upp s PRO 49 Ca 0.05 2.30 0.08 0.00 0.02 0.00 0.00 61.00 63.44 1upp s PRO 49 Cb -0.16 -2.85 0.78 0.00 0.02 0.00 0.00 34.50 32.29 1upp s PRO 49 CO 0.03 -0.49 1.87 -1.35 -0.33 0.00 0.00 177.00 176.73 1upp h PRO 50 N 2.83 0.71 -0.87 5.54 0.11 -1.97 -0.91 132.00 137.44 1upp h PRO 50 Ca -0.50 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.64 1upp h PRO 50 Cb 1.24 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 1upp h PRO 50 CO 0.63 0.47 0.53 0.93 -0.21 0.00 0.00 178.00 180.35 1upp h GLU 51 N 0.73 0.92 0.15 1.05 3.07 -1.98 0.41 114.58 118.93 1upp h GLU 51 Ca 0.45 -0.06 -0.21 0.00 -0.50 0.00 0.00 59.36 59.04 1upp h GLU 51 Cb 0.68 -0.21 0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1upp h GLU 51 CO -0.21 0.61 -0.95 1.49 -1.40 0.00 0.00 179.01 178.55 1upp h GLU 52 N 0.94 0.31 -0.43 2.33 4.57 -1.60 -2.28 114.58 118.41 1upp h GLU 52 Ca 0.39 -0.52 0.08 0.00 -1.18 0.00 0.00 59.36 58.12 1upp h GLU 52 Cb 0.23 0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 28.95 1upp h GLU 52 CO -0.19 1.25 0.02 0.00 -1.18 0.00 0.00 179.01 178.90 1upp h ALA 53 N 0.06 0.41 -0.02 2.92 0.00 -1.18 0.33 119.26 121.79 1upp h ALA 53 Ca -0.17 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1upp h ALA 53 Cb 1.69 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 1upp h ALA 53 CO 0.15 -0.38 -0.24 0.78 0.00 0.00 0.00 179.25 179.55 1upp h GLY 54 N 0.13 -0.35 0.91 0.00 0.00 -0.19 -1.82 103.07 101.75 1upp h GLY 54 Ca 0.21 0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.86 1upp h GLY 54 CO -0.34 -0.20 0.50 0.00 0.00 0.00 0.00 176.54 176.49 1upp h ALA 55 N 0.48 1.01 0.07 3.60 0.00 -1.10 -2.57 119.26 120.75 1upp h ALA 55 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1upp h ALA 55 Cb 0.46 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1upp h ALA 55 CO -0.23 0.33 -0.28 0.00 0.00 0.00 0.00 179.25 179.07 1upp h ALA 56 N 1.31 -0.43 -0.53 0.00 0.00 0.13 0.16 119.26 119.90 1upp h ALA 56 Ca 0.30 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1upp h ALA 56 Cb -0.03 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1upp h ALA 56 CO -0.10 -0.80 -0.18 0.28 0.00 0.00 0.00 179.25 178.45 1upp h VAL 57 N -0.46 0.38 -0.33 0.00 2.07 -1.27 -1.21 116.25 115.43 1upp h VAL 57 Ca 0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1upp h VAL 57 Cb 0.51 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1upp h VAL 57 CO -0.19 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.44 1upp h ALA 58 N 1.39 0.44 -0.81 1.67 0.00 -1.02 -2.63 119.26 118.30 1upp h ALA 58 Ca 0.25 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1upp h ALA 58 Cb 0.45 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1upp h ALA 58 CO -0.58 0.15 0.52 0.00 0.00 0.00 0.00 179.25 179.34 1upp h ALA 59 N 0.88 1.08 -0.03 0.00 0.00 -0.52 -3.13 119.26 117.55 1upp h ALA 59 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1upp h ALA 59 Cb 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1upp h ALA 59 CO 0.01 0.32 -0.03 0.39 0.00 0.00 0.00 179.25 179.94 1upp n GLU 60 N -4.60 2.08 -0.07 0.00 -0.58 -0.47 0.21 120.64 117.20 1upp n GLU 60 Ca 0.10 -1.61 0.11 0.00 -0.42 0.00 0.00 57.16 55.34 1upp n GLU 60 Cb 0.11 -1.47 0.13 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.94 2.98 0.00 1.62 3.41 -1.01 -4.66 113.62 116.90 1upp n SER 61 Ca 0.15 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1upp n SER 61 Cb 0.53 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.24 0.00 -0.00 4.04 3.41 -1.00 -4.45 113.62 116.86 1upp n SER 62 Ca 0.14 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.78 1upp n SER 62 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.56 0.00 -3.76 6.66 -2.24 -1.09 -4.93 114.28 108.36 1upp n THR 63 Ca 0.00 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 1upp n THR 63 Cb 0.00 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.99 1.31 0.00 3.38 0.00 0.13 -5.04 107.32 105.12 1upp s GLY 64 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1upp s GLY 64 CO 0.22 -1.21 0.00 -0.37 0.00 0.00 0.00 173.10 171.74 1upp n THR 65 N -1.53 0.00 0.83 0.90 5.66 -1.26 -4.29 114.28 114.59 1upp n THR 65 Ca -0.06 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.06 1upp n THR 65 Cb 0.57 0.00 0.32 0.00 -1.55 0.00 0.00 70.33 69.67 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 0.27 -4.08 1.09 4.27 -1.26 -4.87 117.44 112.86 1upp n TRP 66 Ca 0.00 0.08 -0.09 0.00 -3.89 0.00 0.00 57.50 53.60 1upp n TRP 66 Cb 0.00 -0.50 -0.09 0.00 -1.36 0.00 0.00 31.31 29.35 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 -3.06 0.15 -0.11 -1.67 -1.32 -1.26 -4.69 115.64 103.67 1upp s THR 67 Ca 0.10 -1.76 -0.30 0.00 -1.21 0.00 0.00 61.69 58.53 1upp s THR 67 Cb 0.16 -1.77 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 1upp s THR 67 CO 0.66 -0.66 1.35 -0.89 -2.21 0.00 0.00 174.62 172.86 1upp s THR 68 N -3.98 4.07 -0.12 5.08 2.01 -0.27 -4.95 115.64 117.48 1upp s THR 68 Ca 0.15 1.33 -0.04 0.00 0.31 0.00 0.00 61.69 63.45 1upp s THR 68 Cb 0.07 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1upp s THR 68 CO -0.04 -0.09 0.04 0.68 -0.69 0.00 0.00 174.62 174.52 1upp s VAL 69 N 3.26 4.59 0.34 3.82 -7.23 -1.26 -4.35 120.40 119.57 1upp s VAL 69 Ca 0.60 -0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.67 1upp s VAL 69 Cb -0.26 -2.98 0.28 0.00 0.56 0.00 0.00 36.38 33.98 1upp s VAL 69 CO 0.20 0.56 1.96 4.11 -0.31 0.00 0.00 175.10 181.62 1upp h TRP 70 N 5.65 0.85 -0.25 2.82 5.08 -1.96 -3.06 115.95 125.07 1upp h TRP 70 Ca -0.46 0.02 0.07 0.00 1.08 0.00 0.00 58.89 59.60 1upp h TRP 70 Cb 1.19 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 27.06 1upp h TRP 70 CO 0.63 0.47 0.41 1.79 -1.28 0.00 0.00 178.44 180.46 1upp h THR 71 N 0.86 0.23 -0.48 0.12 1.35 -2.03 0.26 112.91 113.23 1upp h THR 71 Ca 0.31 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.31 1upp h THR 71 Cb 0.14 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.19 1upp h THR 71 CO -0.10 0.00 0.47 0.44 -0.25 0.00 0.00 175.52 176.09 1upp h ASP 72 N 0.00 0.00 0.74 5.36 3.32 -1.92 -1.73 116.42 122.18 1upp h ASP 72 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1upp h ASP 72 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1upp h ASP 72 CO -0.00 0.00 0.00 1.23 -1.72 0.00 0.00 179.24 178.75 1upp h GLY 73 N 0.00 0.00 1.56 2.75 0.00 -0.72 -2.49 103.07 104.16 1upp h GLY 73 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1upp h GLY 73 CO -0.00 0.00 -0.36 1.41 0.00 0.00 0.00 176.54 177.59 1upp h LEU 74 N 0.00 0.00 0.00 3.11 3.38 -1.51 -3.46 115.31 116.83 1upp h LEU 74 Ca 0.00 -0.08 -0.58 0.00 0.09 0.00 0.00 57.88 57.31 1upp h LEU 74 Cb 0.37 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 1upp h LEU 74 CO 0.00 0.04 -0.38 0.41 0.09 0.00 0.00 178.44 178.60 1upp n THR 75 N -2.39 0.00 -3.37 0.22 -1.04 -0.94 -5.07 114.28 101.69 1upp n THR 75 Ca 0.04 -2.11 -0.46 0.00 -2.04 0.00 0.00 64.05 59.48 1upp n THR 75 Cb 0.46 0.29 -0.03 0.00 -1.82 0.00 0.00 70.33 69.23 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 -3.63 6.52 0.49 8.00 3.84 -1.26 -4.94 114.94 123.97 1upp s ASN 76 Ca 0.08 -2.56 0.14 0.00 0.21 0.00 0.00 52.86 50.73 1upp s ASN 76 Cb -0.01 -2.17 1.17 0.00 -0.55 0.00 0.00 41.25 39.69 1upp s ASN 76 CO 0.05 -0.60 2.12 0.25 -2.79 0.00 0.00 177.10 176.13 1upp h LEU 77 N 7.89 0.10 -1.60 3.21 5.85 -1.98 -2.09 115.31 126.68 1upp h LEU 77 Ca 0.03 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1upp h LEU 77 Cb 1.04 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1upp h LEU 77 CO 0.79 0.08 0.28 0.44 -0.34 0.00 0.00 178.44 179.70 1upp h ASP 78 N 0.11 0.46 0.82 1.25 3.32 -1.96 -2.13 116.42 118.28 1upp h ASP 78 Ca 0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1upp h ASP 78 Cb 0.01 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1upp h ASP 78 CO -0.00 0.33 -0.22 -2.11 -1.72 0.00 0.00 179.24 175.51 1upp n ARG 79 N -4.48 0.02 -0.01 3.56 1.85 -0.79 -4.05 116.66 112.77 1upp n ARG 79 Ca 0.04 0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.95 1upp n ARG 79 Cb 0.09 -1.52 -0.09 0.00 -1.05 0.00 0.00 32.46 29.88 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 -1.55 0.00 -2.07 2.89 4.01 -1.00 -4.82 117.16 114.61 1upp n TYR 80 Ca 0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.43 1upp n TYR 80 Cb 0.35 -0.30 0.01 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.80 3.48 0.51 -0.72 -2.85 -0.84 -4.60 119.74 111.92 1upp s LYS 81 Ca -0.05 1.94 -0.17 0.00 -1.00 0.00 0.00 55.97 56.69 1upp s LYS 81 Cb 0.07 -2.32 -0.08 0.00 -2.06 0.00 0.00 37.83 33.45 1upp s LYS 81 CO 0.50 -0.83 0.99 0.20 0.10 0.00 0.00 175.35 176.32 1upp s GLY 82 N -1.23 2.16 -0.07 0.59 0.00 -1.26 -4.49 107.32 103.01 1upp s GLY 82 Ca 0.67 0.27 -0.01 0.00 0.00 0.00 0.00 44.72 45.66 1upp s GLY 82 CO 0.39 0.56 -0.01 0.50 0.00 0.00 0.00 173.10 174.53 1upp s ARG 83 N -3.86 0.74 -0.38 2.90 0.52 0.03 -4.63 118.95 114.27 1upp s ARG 83 Ca 0.60 0.03 -0.29 0.00 -0.52 0.00 0.00 55.73 55.56 1upp s ARG 83 Cb -0.11 -1.02 0.01 0.00 0.52 0.00 0.00 34.95 34.35 1upp s ARG 83 CO 0.28 -0.26 1.30 0.00 0.02 0.00 0.00 175.30 176.63 1upp n TYR 85 N 8.09 0.00 -3.75 0.00 4.11 -0.95 0.62 117.16 125.29 1upp n TYR 85 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.92 1upp n TYR 85 Cb 0.48 -0.03 -0.11 0.00 -0.00 0.00 0.00 39.34 39.68 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 -1.66 -0.40 -0.06 -3.48 5.04 -1.25 -4.21 115.29 109.26 1upp s HIS 86 Ca 0.01 0.97 0.05 0.00 -1.54 0.00 0.00 55.06 54.55 1upp s HIS 86 Cb 0.04 0.14 -0.00 0.00 0.04 0.00 0.00 32.58 32.79 1upp s HIS 86 CO 0.20 -0.20 -0.21 0.42 -2.34 0.00 0.00 174.74 172.61 1upp s ILE 87 N 0.32 1.74 -0.04 0.89 1.01 -1.26 -1.24 121.20 122.63 1upp s ILE 87 Ca -0.01 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1upp s ILE 87 Cb -0.03 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1upp s ILE 87 CO -0.01 0.49 -0.02 -1.83 0.00 0.00 0.00 174.94 173.57 1upp s GLU 88 N 0.07 0.53 0.66 2.79 -1.05 -0.56 -4.98 118.70 116.16 1upp s GLU 88 Ca -0.07 0.00 -0.17 0.00 -0.15 0.00 0.00 54.97 54.58 1upp s GLU 88 Cb -0.14 -0.65 -0.01 0.00 -0.44 0.00 0.00 34.13 32.89 1upp s GLU 88 CO 0.04 -0.12 1.13 -2.30 0.95 0.00 0.00 175.26 174.96 1upp n PRO 89 N 4.14 0.86 -3.55 -4.83 -0.02 -1.26 0.63 135.00 130.97 1upp n PRO 89 Ca -0.25 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.21 1upp n PRO 89 Cb 0.51 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 1upp n PRO 89 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1upp s VAL 90 N -1.55 5.28 -0.04 -1.45 1.01 0.23 -4.66 120.40 119.21 1upp s VAL 90 Ca 0.79 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 1upp s VAL 90 Cb -0.38 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1upp s VAL 90 CO 0.45 0.43 1.22 0.00 0.00 0.00 0.00 175.10 177.19 1upp s ALA 91 N 0.17 3.50 -0.71 5.51 0.00 -1.26 -2.99 121.76 125.98 1upp s ALA 91 Ca 0.18 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 1upp s ALA 91 Cb -0.13 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1upp s ALA 91 CO 0.05 -0.76 0.41 0.41 0.00 0.00 0.00 175.76 175.87 1upp n GLY 92 N 3.39 0.16 2.94 0.00 0.00 -1.26 -5.05 105.19 105.37 1upp n GLY 92 Ca 0.11 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.31 0.10 0.34 1.61 0.41 -1.16 -5.14 118.70 109.54 1upp s GLU 93 Ca 0.20 0.29 -0.28 0.00 -0.41 0.00 0.00 54.97 54.77 1upp s GLU 93 Cb -0.09 -0.10 -0.09 0.00 -1.78 0.00 0.00 34.13 32.06 1upp s GLU 93 CO 0.25 -0.12 1.18 -1.21 -0.49 0.00 0.00 175.26 174.88 1upp s GLU 94 N 0.80 4.35 -1.56 1.61 0.41 -1.26 -4.25 118.70 118.79 1upp s GLU 94 Ca -0.06 1.93 -0.12 0.00 -0.41 0.00 0.00 54.97 56.31 1upp s GLU 94 Cb -0.08 -2.97 0.09 0.00 -1.78 0.00 0.00 34.13 29.40 1upp s GLU 94 CO -0.04 -0.09 0.76 -1.71 -0.49 0.00 0.00 175.26 173.69 1upp n ASN 95 N 0.67 -2.98 -3.79 -0.19 5.15 -1.26 -4.95 115.26 107.90 1upp n ASN 95 Ca 0.01 -0.93 -0.15 0.00 -0.60 0.00 0.00 54.58 52.92 1upp n ASN 95 Cb 0.45 -3.26 -0.16 0.00 -0.53 0.00 0.00 39.78 36.28 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 -6.69 0.01 0.02 1.20 0.74 -1.26 -3.93 119.66 109.75 1upp s GLN 96 Ca 0.51 0.14 0.03 0.00 0.05 0.00 0.00 55.36 56.09 1upp s GLN 96 Cb -0.27 -0.24 -0.01 0.00 1.10 0.00 0.00 33.01 33.59 1upp s GLN 96 CO 0.88 -0.13 -0.09 0.71 -0.55 0.00 0.00 175.29 176.11 1upp s TYR 97 N 0.88 0.79 -0.17 1.67 1.51 -0.73 -0.61 117.35 120.71 1upp s TYR 97 Ca -0.08 -0.28 -0.24 0.00 -1.01 0.00 0.00 57.07 55.47 1upp s TYR 97 Cb -0.11 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.23 1upp s TYR 97 CO -0.02 -0.02 0.76 0.42 -1.11 0.00 0.00 175.55 175.57 1upp s ILE 98 N -0.66 4.94 -0.17 2.71 -1.09 0.20 -1.15 121.20 125.99 1upp s ILE 98 Ca -0.01 1.47 -0.01 0.00 -2.23 0.00 0.00 60.65 59.87 1upp s ILE 98 Cb -0.06 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1upp s ILE 98 CO 0.00 0.08 -0.10 0.00 -1.23 0.00 0.00 174.94 173.69 1upp s TYR 100 N 0.83 3.54 -0.04 0.00 1.51 -0.37 -0.36 117.35 122.46 1upp s TYR 100 Ca -0.03 0.58 0.02 0.00 -1.01 0.00 0.00 57.07 56.63 1upp s TYR 100 Cb -0.15 -2.15 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 1upp s TYR 100 CO 0.01 0.50 -0.10 0.08 -1.11 0.00 0.00 175.55 174.92 1upp s VAL 101 N -0.34 0.90 -0.15 0.71 1.01 -0.70 -2.23 120.40 119.60 1upp s VAL 101 Ca 0.15 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1upp s VAL 101 Cb -0.13 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1upp s VAL 101 CO 0.04 0.29 0.05 0.00 0.00 0.00 0.00 175.10 175.48 1upp s ALA 102 N 0.44 3.39 -0.15 5.51 0.00 0.10 -0.29 121.76 130.76 1upp s ALA 102 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1upp s ALA 102 Cb -0.12 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.19 1upp s ALA 102 CO 0.02 0.31 -0.16 0.71 0.00 0.00 0.00 175.76 176.64 1upp s TYR 103 N -0.02 2.77 0.53 0.00 2.02 0.54 -0.79 117.35 122.40 1upp s TYR 103 Ca 0.05 -1.01 -0.21 0.00 -0.37 0.00 0.00 57.07 55.53 1upp s TYR 103 Cb -0.12 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 1upp s TYR 103 CO 0.01 -0.45 1.25 -2.14 -1.57 0.00 0.00 175.55 172.65 1upp s PRO 104 N 0.75 3.33 0.25 -1.71 0.02 -1.26 0.76 135.00 137.14 1upp s PRO 104 Ca -0.06 1.97 -0.03 0.00 0.02 0.00 0.00 61.00 62.89 1upp s PRO 104 Cb -0.15 -2.23 0.40 0.00 0.02 0.00 0.00 34.50 32.54 1upp s PRO 104 CO 0.01 -0.96 1.84 1.25 -0.33 0.00 0.00 177.00 178.80 1upp h LEU 105 N 1.54 0.82 -1.16 -5.54 5.85 -1.94 -2.07 115.31 112.82 1upp h LEU 105 Ca -0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1upp h LEU 105 Cb 1.28 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1upp h LEU 105 CO 0.58 0.49 0.11 0.47 -0.34 0.00 0.00 178.44 179.75 1upp n ASP 106 N -4.65 0.45 -0.01 1.25 9.92 -1.26 -2.61 116.55 119.64 1upp n ASP 106 Ca 0.14 0.67 0.14 0.00 -0.53 0.00 0.00 54.79 55.22 1upp n ASP 106 Cb 0.25 -0.69 0.67 0.00 -0.64 0.00 0.00 41.12 40.70 1upp n ASP 106 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1upp n LEU 107 N -2.14 0.08 -4.58 0.64 4.77 -0.78 -4.83 117.00 110.16 1upp n LEU 107 Ca -0.01 0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 55.94 1upp n LEU 107 Cb 0.14 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.77 1upp n LEU 107 CO 0.08 0.02 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.42 1upp s PHE 108 N -2.72 2.95 0.09 -1.77 0.08 -1.07 -5.01 117.98 110.53 1upp s PHE 108 Ca 0.23 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.98 1upp s PHE 108 Cb 0.20 -1.73 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1upp s PHE 108 CO 0.50 0.31 0.98 -2.00 -0.10 0.00 0.00 175.22 174.91 1upp s GLU 109 N -0.74 4.66 0.31 0.44 2.12 -1.26 -4.99 118.70 119.25 1upp s GLU 109 Ca 0.11 1.47 -0.28 0.00 0.36 0.00 0.00 54.97 56.63 1upp s GLU 109 Cb -0.11 -3.38 -0.13 0.00 0.26 0.00 0.00 34.13 30.76 1upp s GLU 109 CO 0.02 0.14 1.18 0.39 -0.54 0.00 0.00 175.26 176.45 1upp n GLU 110 N 2.99 1.80 -1.90 4.30 4.71 -1.26 -2.38 120.64 128.91 1upp n GLU 110 Ca 0.03 0.63 -0.07 0.00 -0.01 0.00 0.00 57.16 57.74 1upp n GLU 110 Cb 0.49 -2.13 -0.02 0.00 -1.01 0.00 0.00 31.44 28.78 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 1.02 0.02 3.08 0.62 0.00 -1.23 -4.98 105.19 103.74 1upp n GLY 111 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.83 5.09 0.26 1.61 0.15 -1.00 -4.90 113.70 113.08 1upp s SER 112 Ca 0.00 -2.28 -0.03 0.00 0.70 0.00 0.00 55.95 54.35 1upp s SER 112 Cb 0.00 -1.78 0.53 0.00 -1.71 0.00 0.00 66.02 63.05 1upp s SER 112 CO 0.00 -0.46 1.70 0.58 1.20 0.00 0.00 173.24 176.26 1upp h VAL 113 N 6.15 0.54 -0.92 4.45 2.07 -1.93 0.16 116.25 126.76 1upp h VAL 113 Ca -0.09 -0.12 0.25 0.00 0.82 0.00 0.00 66.70 67.57 1upp h VAL 113 Cb 1.01 0.16 -0.14 0.00 -1.52 0.00 0.00 31.29 30.81 1upp h VAL 113 CO 0.67 0.06 0.39 0.74 0.02 0.00 0.00 177.57 179.45 1upp h THR 114 N 0.35 0.37 -0.00 2.57 2.02 -1.91 -1.87 112.91 114.43 1upp h THR 114 Ca 0.45 -0.11 -0.20 0.00 0.77 0.00 0.00 66.41 67.33 1upp h THR 114 Cb 0.77 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1upp h THR 114 CO -0.49 0.06 -0.87 -1.13 0.37 0.00 0.00 175.52 173.46 1upp h ASN 115 N 0.31 0.29 -0.17 4.18 -0.73 -1.04 -1.83 115.58 116.60 1upp h ASN 115 Ca 0.61 -0.23 -0.17 0.00 1.87 0.00 0.00 56.30 58.37 1upp h ASN 115 Cb 1.26 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 39.75 1upp h ASN 115 CO -0.60 1.03 -0.53 -0.03 -0.37 0.00 0.00 177.43 176.93 1upp h MET 116 N 0.13 0.75 -0.11 6.67 4.05 -1.01 -1.73 114.93 123.68 1upp h MET 116 Ca -0.05 -0.46 -0.15 0.00 -0.28 0.00 0.00 59.70 58.76 1upp h MET 116 Cb 1.49 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.33 1upp h MET 116 CO 0.13 1.09 -0.58 0.74 0.23 0.00 0.00 176.91 178.52 1upp h PHE 117 N 0.58 0.47 -0.61 1.39 0.04 -1.50 -1.33 116.94 115.98 1upp h PHE 117 Ca 0.02 -0.17 -0.07 0.00 2.80 0.00 0.00 57.97 60.54 1upp h PHE 117 Cb 1.11 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 39.15 1upp h PHE 117 CO 0.06 0.86 0.08 1.15 -0.60 0.00 0.00 178.31 179.86 1upp h THR 118 N 0.28 1.25 0.00 -1.55 2.02 -0.42 0.50 112.91 115.00 1upp h THR 118 Ca -0.00 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1upp h THR 118 Cb 1.10 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1upp h THR 118 CO 0.10 0.37 -0.00 0.28 0.37 0.00 0.00 175.52 176.64 1upp h SER 119 N 0.94 -0.00 0.77 4.18 0.02 -1.52 -2.98 113.55 114.96 1upp h SER 119 Ca 0.19 -0.74 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 1upp h SER 119 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1upp h SER 119 CO 0.01 0.74 -0.12 0.40 -1.14 0.00 0.00 176.83 176.73 1upp h ILE 120 N -0.75 0.34 0.00 3.27 2.04 -1.03 -3.05 117.51 118.34 1upp h ILE 120 Ca -0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1upp h ILE 120 Cb 0.74 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1upp h ILE 120 CO 0.00 0.11 -0.12 0.55 0.00 0.00 0.00 178.15 178.69 1upp n VAL 121 N -3.33 0.00 0.12 1.67 3.14 0.15 -4.81 118.33 115.27 1upp n VAL 121 Ca -0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 1upp n VAL 121 Cb 0.32 0.68 -0.02 0.00 -1.06 0.00 0.00 33.84 33.76 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 -0.32 0.00 7.55 0.00 -1.34 -3.41 103.07 105.55 1upp h GLY 122 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1upp h GLY 122 CO 0.00 -0.12 -0.12 0.70 0.00 0.00 0.00 176.54 177.01 1upp n ASN 123 N -2.99 0.13 0.20 0.19 3.02 -1.26 -4.86 115.26 109.69 1upp n ASN 123 Ca -0.04 -0.55 0.12 0.00 -0.03 0.00 0.00 54.58 54.08 1upp n ASN 123 Cb 0.12 1.00 0.23 0.00 -0.61 0.00 0.00 39.78 40.52 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 0.00 0.00 2.41 -1.51 -1.85 -2.86 116.25 112.44 1upp h VAL 124 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1upp h VAL 124 Cb 0.06 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1upp h VAL 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1upp n PHE 125 N -2.92 0.72 0.98 5.19 3.01 -1.26 -3.10 117.46 120.08 1upp n PHE 125 Ca 0.04 0.29 0.11 0.00 1.01 0.00 0.00 57.45 58.90 1upp n PHE 125 Cb 0.50 -0.97 -0.04 0.00 -0.01 0.00 0.00 39.48 38.97 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 -0.15 -0.24 3.50 1.37 0.00 -1.08 -4.82 105.19 103.77 1upp n GLY 126 Ca 0.02 -0.62 -0.57 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.43 0.61 -0.32 1.61 3.01 -1.18 -4.83 117.46 115.94 1upp n PHE 127 Ca 0.08 1.02 0.02 0.00 1.01 0.00 0.00 57.45 59.57 1upp n PHE 127 Cb 0.42 -2.10 0.20 0.00 -0.01 0.00 0.00 39.48 37.99 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 2.94 1.11 0.00 -1.08 1.57 -1.95 -2.98 116.57 116.17 1upp h LYS 128 Ca -0.49 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1upp h LYS 128 Cb 1.42 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1upp h LYS 128 CO 0.65 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 180.27 1upp n ALA 129 N -2.39 2.16 -2.38 3.86 0.00 -1.26 -4.64 120.51 115.86 1upp n ALA 129 Ca 0.13 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 1upp n ALA 129 Cb 0.12 -1.21 -0.15 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.70 2.14 -0.07 0.00 1.43 -1.13 -1.84 118.68 117.51 1upp s LEU 130 Ca 0.20 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1upp s LEU 130 Cb 0.09 -1.20 -0.29 0.00 0.03 0.00 0.00 46.19 44.82 1upp s LEU 130 CO 0.15 0.24 0.56 0.03 0.23 0.00 0.00 176.35 177.56 1upp h ARG 131 N 4.97 0.32 -2.63 1.70 3.08 -0.08 -3.44 114.38 118.29 1upp h ARG 131 Ca -0.44 -0.55 -0.03 0.00 0.07 0.00 0.00 59.98 59.02 1upp h ARG 131 Cb 1.14 0.21 -0.15 0.00 0.08 0.00 0.00 29.97 31.25 1upp h ARG 131 CO 0.44 1.24 0.20 0.00 -1.07 0.00 0.00 179.97 180.79 1upp s ALA 132 N -2.57 -1.66 -0.24 0.04 0.00 -1.13 -5.03 121.76 111.17 1upp s ALA 132 Ca -0.18 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 1upp s ALA 132 Cb 0.06 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.81 1upp s ALA 132 CO 0.82 -0.62 0.67 -1.17 0.00 0.00 0.00 175.76 175.46 1upp s LEU 133 N -2.18 -0.56 -0.12 0.00 2.96 -1.23 -1.33 118.68 116.22 1upp s LEU 133 Ca -0.03 1.30 -0.04 0.00 -0.22 0.00 0.00 54.13 55.14 1upp s LEU 133 Cb -0.01 2.31 0.06 0.00 0.50 0.00 0.00 46.19 49.05 1upp s LEU 133 CO -0.05 -0.26 0.16 -0.60 -1.32 0.00 0.00 176.35 174.29 1upp s ARG 134 N 0.24 0.07 -0.43 1.98 3.52 -0.78 -1.47 118.95 122.08 1upp s ARG 134 Ca -0.01 0.39 -0.28 0.00 -0.13 0.00 0.00 55.73 55.70 1upp s ARG 134 Cb -0.04 -0.71 0.00 0.00 -1.56 0.00 0.00 34.95 32.64 1upp s ARG 134 CO 0.02 -0.44 1.50 -1.17 -0.81 0.00 0.00 175.30 174.40 1upp s LEU 135 N 2.28 3.53 -0.00 -0.88 2.96 0.07 -0.88 118.68 125.75 1upp s LEU 135 Ca 0.04 0.79 -0.11 0.00 -0.22 0.00 0.00 54.13 54.62 1upp s LEU 135 Cb -0.13 -3.41 -0.32 0.00 0.50 0.00 0.00 46.19 42.82 1upp s LEU 135 CO -0.08 -1.57 0.86 -0.33 -1.32 0.00 0.00 176.35 173.91 1upp h GLU 136 N 11.33 0.43 -3.11 1.98 4.39 -1.25 -0.76 114.58 127.59 1upp h GLU 136 Ca -0.28 -0.73 0.02 0.00 0.34 0.00 0.00 59.36 58.70 1upp h GLU 136 Cb 1.12 0.27 -0.08 0.00 -0.10 0.00 0.00 28.75 29.96 1upp h GLU 136 CO 1.10 1.34 0.16 0.34 -1.16 0.00 0.00 179.01 180.78 1upp s ASP 137 N -7.36 -0.33 -0.00 1.42 -1.08 -1.21 -4.56 116.67 103.55 1upp s ASP 137 Ca -0.11 -0.45 0.01 0.00 -0.52 0.00 0.00 52.55 51.47 1upp s ASP 137 Cb 0.05 0.66 -0.00 0.00 -1.46 0.00 0.00 42.92 42.17 1upp s ASP 137 CO 0.89 -1.18 -0.03 -0.76 0.52 0.00 0.00 175.17 174.62 1upp s LEU 138 N -2.87 1.97 -0.51 -1.34 1.43 -1.26 -0.68 118.68 115.41 1upp s LEU 138 Ca 0.09 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 1upp s LEU 138 Cb -0.03 -0.14 0.12 0.00 0.03 0.00 0.00 46.19 46.17 1upp s LEU 138 CO -0.00 0.03 0.45 -0.60 0.23 0.00 0.00 176.35 176.46 1upp s ARG 139 N -0.01 2.86 -0.18 1.70 3.00 0.61 -4.91 118.95 122.00 1upp s ARG 139 Ca 0.01 -1.68 -0.29 0.00 -1.00 0.00 0.00 55.73 52.76 1upp s ARG 139 Cb -0.02 -4.18 0.00 0.00 0.00 0.00 0.00 34.95 30.75 1upp s ARG 139 CO -0.00 -1.26 1.01 0.42 0.00 0.00 0.00 175.30 175.46 1upp s ILE 140 N 1.54 4.73 0.53 4.11 1.09 -1.26 -1.99 121.20 129.95 1upp s ILE 140 Ca 0.04 1.99 -0.20 0.00 -1.10 0.00 0.00 60.65 61.38 1upp s ILE 140 Cb -0.28 -4.29 -0.06 0.00 -1.06 0.00 0.00 42.46 36.76 1upp s ILE 140 CO 0.02 -0.10 1.14 -2.16 -0.10 0.00 0.00 174.94 173.74 1upp s PRO 141 N 2.72 3.40 0.56 2.79 0.04 -1.26 -4.70 135.00 138.55 1upp s PRO 141 Ca 0.45 1.64 0.32 0.00 0.04 0.00 0.00 61.00 63.44 1upp s PRO 141 Cb -0.16 -2.05 1.65 0.00 0.04 0.00 0.00 34.50 33.98 1upp s PRO 141 CO 0.10 -0.81 2.13 -0.39 0.04 0.00 0.00 177.00 178.07 1upp h VAL 142 N 1.28 0.37 0.00 -0.36 -1.51 -1.85 -2.08 116.25 112.10 1upp h VAL 142 Ca -0.50 -0.39 -0.04 0.00 -1.23 0.00 0.00 66.70 64.54 1upp h VAL 142 Cb 1.26 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 1upp h VAL 142 CO 0.57 0.07 -0.19 0.00 -1.23 0.00 0.00 177.57 176.80 1upp h ALA 143 N 1.93 0.88 -0.08 5.19 0.00 -1.91 -2.32 119.26 122.94 1upp h ALA 143 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 1upp h ALA 143 Cb 0.27 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1upp h ALA 143 CO 0.01 0.23 -0.90 -0.92 0.00 0.00 0.00 179.25 177.67 1upp h TYR 144 N 0.00 1.05 -0.42 0.00 3.20 -1.75 -3.20 116.97 115.85 1upp h TYR 144 Ca -0.00 -0.51 0.11 0.00 3.14 0.00 0.00 58.73 61.47 1upp h TYR 144 Cb 1.13 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 1upp h TYR 144 CO 0.00 1.35 0.30 0.28 -1.64 0.00 0.00 178.16 178.44 1upp h VAL 145 N 0.47 0.82 0.00 1.81 2.07 -1.07 -0.70 116.25 119.66 1upp h VAL 145 Ca -0.09 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1upp h VAL 145 Cb 1.54 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1upp h VAL 145 CO 0.18 0.01 0.00 0.11 0.02 0.00 0.00 177.57 177.89 1upp h LYS 146 N 0.07 0.00 0.00 1.57 1.79 -1.42 -3.08 116.57 115.50 1upp h LYS 146 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1upp h LYS 146 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1upp h LYS 146 CO -0.01 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.61 1upp n THR 147 N -2.55 0.78 -3.96 -0.16 -2.24 -0.27 -4.84 114.28 101.05 1upp n THR 147 Ca 0.04 0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.68 1upp n THR 147 Cb 0.41 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 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 -3.14 3.42 0.14 4.78 0.40 -1.17 -3.53 117.98 118.87 1upp s PHE 148 Ca 0.07 0.18 -0.10 0.00 -0.60 0.00 0.00 56.93 56.47 1upp s PHE 148 Cb 0.11 -1.70 -0.06 0.00 0.51 0.00 0.00 43.02 41.88 1upp s PHE 148 CO 0.38 0.56 1.43 0.37 0.70 0.00 0.00 175.22 178.66 1upp h GLN 149 N 2.96 0.86 0.00 0.44 4.15 -1.89 -3.50 115.11 118.14 1upp h GLN 149 Ca -0.46 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 58.43 1upp h GLN 149 Cb 1.17 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1upp h GLN 149 CO 0.72 1.16 0.00 0.41 -1.93 0.00 0.00 178.83 179.19 1upp n GLY 150 N 0.31 -0.58 3.68 2.39 0.00 -0.85 -4.86 105.19 105.29 1upp n GLY 150 Ca -0.04 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.21 1.91 -0.25 1.61 -0.02 -1.24 -4.19 135.00 132.60 1upp n PRO 151 Ca 0.00 0.67 -0.06 0.00 -2.02 0.00 0.00 63.50 62.10 1upp n PRO 151 Cb 0.00 -2.30 0.05 0.00 -0.02 0.00 0.00 33.50 31.23 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 2.18 0.98 0.00 0.52 0.11 -1.85 -3.41 132.00 130.53 1upp h PRO 152 Ca -0.46 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1upp h PRO 152 Cb 1.30 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1upp h PRO 152 CO 0.60 0.75 -0.57 0.72 -0.21 0.00 0.00 178.00 179.29 1upp n HIS 153 N -4.48 -0.03 0.00 0.65 8.25 -1.26 -4.68 115.22 113.67 1upp n HIS 153 Ca 0.06 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1upp n HIS 153 Cb 0.10 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 3.16 -0.93 0.13 -1.41 0.00 -1.26 -4.43 105.19 100.45 1upp n GLY 154 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 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 0.73 -0.31 -0.61 2.04 -1.81 -0.72 117.51 116.83 1upp h ILE 155 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1upp h ILE 155 Cb 0.00 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1upp h ILE 155 CO 0.00 0.00 0.15 -0.61 0.00 0.00 0.00 178.15 177.69 1upp h GLN 156 N -0.01 0.44 -0.05 2.37 4.15 -1.89 -1.04 115.11 119.09 1upp h GLN 156 Ca 0.13 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.30 1upp h GLN 156 Cb 0.20 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1upp h GLN 156 CO -0.28 0.42 -0.76 0.28 -1.93 0.00 0.00 178.83 176.56 1upp h VAL 157 N 0.36 1.42 -0.00 2.39 2.07 -1.75 -2.13 116.25 118.60 1upp h VAL 157 Ca 0.10 -2.26 0.01 0.00 0.82 0.00 0.00 66.70 65.37 1upp h VAL 157 Cb 0.12 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1upp h VAL 157 CO -0.01 0.67 -0.03 -0.08 0.02 0.00 0.00 177.57 178.13 1upp h GLU 158 N 0.20 -0.06 -0.58 1.57 4.81 -0.59 0.22 114.58 120.16 1upp h GLU 158 Ca -0.03 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1upp h GLU 158 Cb 1.33 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 1upp h GLU 158 CO 0.12 -0.04 0.21 0.00 -0.73 0.00 0.00 179.01 178.57 1upp h ARG 159 N -0.06 0.88 -0.24 1.92 3.08 -1.11 -0.85 114.38 118.00 1upp h ARG 159 Ca 0.02 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 1upp h ARG 159 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1upp h ARG 159 CO -0.04 0.77 -0.43 -0.44 -1.07 0.00 0.00 179.97 178.76 1upp h ASP 160 N 0.80 0.64 -0.70 7.04 3.32 -1.14 0.30 116.42 126.68 1upp h ASP 160 Ca 0.19 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1upp h ASP 160 Cb 0.24 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1upp h ASP 160 CO -0.01 0.99 0.26 0.11 -1.72 0.00 0.00 179.24 178.87 1upp h LYS 161 N 0.49 1.08 -0.00 3.56 1.79 -0.08 -3.23 116.57 120.17 1upp h LYS 161 Ca 0.04 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1upp h LYS 161 Cb 0.95 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1upp h LYS 161 CO 0.09 0.90 -0.91 1.28 -1.08 0.00 0.00 179.45 179.72 1upp n LEU 162 N -4.28 0.94 -2.84 2.94 4.77 -0.37 -4.97 117.00 113.20 1upp n LEU 162 Ca 0.06 -0.42 -0.17 0.00 -0.03 0.00 0.00 56.01 55.45 1upp n LEU 162 Cb 0.20 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1upp n LEU 162 CO 0.41 0.23 0.17 -3.20 -1.33 0.00 0.00 177.39 173.67 1upp n ASN 163 N -1.47 -4.76 -3.95 -1.43 4.05 0.10 -4.62 115.26 103.19 1upp n ASN 163 Ca 0.04 -0.42 -0.30 0.00 0.45 0.00 0.00 54.58 54.36 1upp n ASN 163 Cb 0.33 -3.94 -0.16 0.00 1.23 0.00 0.00 39.78 37.24 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 -5.83 1.75 0.09 1.20 1.02 -1.17 -5.01 119.74 111.79 1upp s LYS 164 Ca 0.37 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.62 1upp s LYS 164 Cb -0.16 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1upp s LYS 164 CO 0.55 -0.47 -0.13 0.71 -0.92 0.00 0.00 175.35 175.09 1upp s TYR 165 N 1.47 1.18 0.00 3.18 2.02 -1.26 -4.68 117.35 119.26 1upp s TYR 165 Ca -0.02 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1upp s TYR 165 Cb -0.17 -0.65 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 1upp s TYR 165 CO -0.08 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.37 1upp n GLY 166 N 0.95 0.78 3.60 0.71 0.00 -1.26 -5.04 105.19 104.93 1upp n GLY 166 Ca -0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.69 0.54 0.67 1.61 1.70 -1.26 -5.05 118.95 116.46 1upp s ARG 167 Ca 0.00 -0.24 -0.17 0.00 -0.47 0.00 0.00 55.73 54.85 1upp s ARG 167 Cb 0.00 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1upp s ARG 167 CO 0.00 -0.24 1.24 -2.14 -1.08 0.00 0.00 175.30 173.08 1upp s PRO 168 N -2.67 2.48 0.43 3.89 0.02 -1.18 -4.77 135.00 133.20 1upp s PRO 168 Ca 0.10 1.89 -0.15 0.00 0.02 0.00 0.00 61.00 62.86 1upp s PRO 168 Cb 0.00 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1upp s PRO 168 CO -0.04 -1.61 0.86 -0.51 -0.33 0.00 0.00 177.00 175.37 1upp s LEU 169 N -4.62 3.81 -0.07 -5.54 1.43 -0.57 -4.91 118.68 108.22 1upp s LEU 169 Ca 0.78 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 55.30 1upp s LEU 169 Cb -0.32 -4.26 -0.00 0.00 0.03 0.00 0.00 46.19 41.63 1upp s LEU 169 CO 0.40 -0.43 -0.22 -0.76 0.23 0.00 0.00 176.35 175.58 1upp s LEU 170 N -3.70 2.00 0.00 1.79 1.43 -1.26 0.20 118.68 119.14 1upp s LEU 170 Ca 0.56 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1upp s LEU 170 Cb -0.10 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 1upp s LEU 170 CO 0.27 0.18 0.18 0.61 0.23 0.00 0.00 176.35 177.82 1upp n GLY 171 N 3.23 3.29 3.28 -3.19 0.00 0.12 -1.51 105.19 110.42 1upp n GLY 171 Ca -0.19 -1.84 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 2.71 3.17 0.29 0.00 2.01 -1.26 -4.30 115.64 118.26 1upp s THR 173 Ca 0.01 1.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1upp s THR 173 Cb -0.09 -3.66 -0.11 0.00 0.01 0.00 0.00 72.50 68.64 1upp s THR 173 CO -0.16 0.19 1.58 -0.63 -0.69 0.00 0.00 174.62 174.91 1upp s ILE 174 N -0.40 2.12 -0.00 1.82 -1.09 -1.26 -4.45 121.20 117.93 1upp s ILE 174 Ca 0.53 0.10 0.05 0.00 -2.23 0.00 0.00 60.65 59.09 1upp s ILE 174 Cb -0.36 -3.06 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1upp s ILE 174 CO 0.42 0.02 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.45 1upp s LYS 175 N -0.55 1.19 0.23 2.79 -0.14 -1.26 -4.41 119.74 117.60 1upp s LYS 175 Ca 0.63 -0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 54.36 1upp s LYS 175 Cb -0.47 -1.17 -0.09 0.00 -1.68 0.00 0.00 37.83 34.42 1upp s LYS 175 CO 0.48 0.32 1.22 -2.14 -0.76 0.00 0.00 175.35 174.47 1upp s PRO 176 N -0.47 4.47 0.26 -1.68 0.01 -1.26 -5.01 135.00 131.32 1upp s PRO 176 Ca 0.05 1.96 -0.07 0.00 0.01 0.00 0.00 61.00 62.96 1upp s PRO 176 Cb -0.06 -3.19 0.46 0.00 0.01 0.00 0.00 34.50 31.72 1upp s PRO 176 CO -0.00 -0.09 1.61 0.87 0.01 0.00 0.00 177.00 179.40 1upp h LYS 177 N 4.69 0.06 -5.97 5.54 1.57 -2.00 -3.43 116.57 117.03 1upp h LYS 177 Ca -0.46 -0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.79 1upp h LYS 177 Cb 1.22 -0.01 -0.17 0.00 0.08 0.00 0.00 32.23 33.34 1upp h LYS 177 CO 0.72 0.04 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.35 1upp s LEU 178 N -10.90 2.46 0.00 2.94 1.43 -1.26 -4.72 118.68 108.63 1upp s LEU 178 Ca -0.14 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1upp s LEU 178 Cb 0.24 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.60 1upp s LEU 178 CO 0.76 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.92 1upp n GLY 179 N 0.16 0.55 3.76 -3.19 0.00 -1.26 -5.05 105.19 100.15 1upp n GLY 179 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 4.48 0.93 0.99 1.43 -1.26 -4.98 118.68 120.27 1upp s LEU 180 Ca 0.00 1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 54.37 1upp s LEU 180 Cb 0.00 -3.13 0.15 0.00 0.03 0.00 0.00 46.19 43.24 1upp s LEU 180 CO 0.00 0.11 1.17 -0.94 0.23 0.00 0.00 176.35 176.92 1upp s SER 181 N -0.47 3.35 0.19 2.29 1.04 -1.26 -4.56 113.70 114.27 1upp s SER 181 Ca 0.35 0.79 -0.10 0.00 0.48 0.00 0.00 55.95 57.47 1upp s SER 181 Cb -0.20 -1.23 0.09 0.00 0.10 0.00 0.00 66.02 64.78 1upp s SER 181 CO 0.22 -2.64 1.70 0.00 0.98 0.00 0.00 173.24 173.51 1upp h ALA 182 N -1.56 0.86 -0.59 5.32 0.00 -1.92 -2.09 119.26 119.29 1upp h ALA 182 Ca -0.48 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1upp h ALA 182 Cb 1.31 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1upp h ALA 182 CO 0.56 0.57 0.10 -0.22 0.00 0.00 0.00 179.25 180.26 1upp h LYS 183 N 0.97 0.94 -0.10 0.00 1.63 -1.93 0.24 116.57 118.33 1upp h LYS 183 Ca 0.21 -0.23 -0.13 0.00 -0.85 0.00 0.00 60.65 59.65 1upp h LYS 183 Cb 0.35 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1upp h LYS 183 CO -0.00 0.87 -0.50 -0.91 -3.45 0.00 0.00 179.45 175.46 1upp h ASN 184 N 0.89 0.28 0.07 4.20 -0.26 -1.89 -0.87 115.58 118.02 1upp h ASN 184 Ca 0.18 -0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1upp h ASN 184 Cb 0.39 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1upp h ASN 184 CO 0.01 0.74 -0.04 0.22 -1.06 0.00 0.00 177.43 177.30 1upp h TYR 185 N 0.21 -0.09 -0.71 1.19 3.20 -0.97 -0.05 116.97 119.75 1upp h TYR 185 Ca 0.01 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1upp h TYR 185 Cb 0.96 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 1upp h TYR 185 CO 0.02 0.04 0.45 0.78 -1.64 0.00 0.00 178.16 177.81 1upp h GLY 186 N -0.20 1.02 0.99 1.82 0.00 -0.58 -0.23 103.07 105.89 1upp h GLY 186 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1upp h GLY 186 CO 0.02 0.30 0.18 -0.09 0.00 0.00 0.00 176.54 176.94 1upp h ARG 187 N 0.88 0.37 -0.67 4.80 2.43 -0.36 -1.38 114.38 120.45 1upp h ARG 187 Ca 0.28 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1upp h ARG 187 Cb 0.00 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1upp h ARG 187 CO -0.10 0.26 0.40 0.00 -1.51 0.00 0.00 179.97 179.01 1upp h ALA 188 N 1.09 0.88 -0.44 2.80 0.00 -0.61 -2.68 119.26 120.29 1upp h ALA 188 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1upp h ALA 188 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1upp h ALA 188 CO -0.02 0.14 0.16 0.28 0.00 0.00 0.00 179.25 179.81 1upp h VAL 189 N 0.77 1.21 -0.20 0.00 2.07 -0.57 -0.68 116.25 118.86 1upp h VAL 189 Ca 0.28 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1upp h VAL 189 Cb 0.07 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1upp h VAL 189 CO -0.13 0.24 0.12 0.22 0.02 0.00 0.00 177.57 178.04 1upp h TYR 190 N 0.57 0.26 -0.38 1.57 3.20 -1.08 0.19 116.97 121.31 1upp h TYR 190 Ca 0.15 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1upp h TYR 190 Cb 0.22 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1upp h TYR 190 CO 0.01 0.21 0.19 0.93 -1.64 0.00 0.00 178.16 177.86 1upp h GLU 191 N 0.23 0.54 0.07 1.82 4.39 -1.37 0.51 114.58 120.76 1upp h GLU 191 Ca 0.07 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1upp h GLU 191 Cb 0.03 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1upp h GLU 191 CO -0.01 0.46 -0.07 0.00 -1.16 0.00 0.00 179.01 178.22 1upp h LEU 193 N -0.16 0.70 -2.59 0.00 3.38 -0.83 -3.22 115.31 112.58 1upp h LEU 193 Ca 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1upp h LEU 193 Cb 0.16 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1upp h LEU 193 CO -0.03 0.84 -0.00 0.08 0.09 0.00 0.00 178.44 179.42 1upp h ARG 194 N 0.65 0.00 -0.56 1.13 0.11 -0.94 -3.00 114.38 111.77 1upp h ARG 194 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1upp h ARG 194 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1upp h ARG 194 CO 0.04 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.52 1upp n GLY 195 N -1.27 1.35 0.00 0.08 0.00 -1.22 -4.87 105.19 99.27 1upp n GLY 195 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.70 1.03 3.79 -0.02 0.00 -1.13 -2.19 105.19 107.36 1upp n GLY 196 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 4.20 0.08 0.99 1.43 -1.23 -4.81 118.68 119.35 1upp s LEU 197 Ca 0.00 1.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1upp s LEU 197 Cb 0.00 -4.19 -0.26 0.00 0.03 0.00 0.00 46.19 41.77 1upp s LEU 197 CO 0.00 -0.17 1.17 0.44 0.23 0.00 0.00 176.35 178.02 1upp h ASP 198 N 2.74 0.29 -5.31 2.29 3.32 -1.60 -3.43 116.42 114.72 1upp h ASP 198 Ca -0.48 -0.32 -0.14 0.00 0.02 0.00 0.00 57.03 56.12 1upp h ASP 198 Cb 1.19 -0.09 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 1upp h ASP 198 CO 0.64 1.25 -0.59 -0.36 -1.72 0.00 0.00 179.24 178.46 1upp s PHE 199 N -2.67 0.61 0.00 4.55 0.08 -0.68 -1.62 117.98 118.25 1upp s PHE 199 Ca -0.03 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1upp s PHE 199 Cb 0.08 -0.35 0.00 0.00 -0.57 0.00 0.00 43.02 42.18 1upp s PHE 199 CO 0.86 -0.50 0.00 0.25 -0.10 0.00 0.00 175.22 175.73 1upp n THR 200 N -0.04 0.00 -1.62 0.64 -2.24 -1.11 -3.17 114.28 106.75 1upp n THR 200 Ca -0.10 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.16 1upp n THR 200 Cb 0.63 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1upp n THR 200 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1upp n ASP 202 N 0.00 1.96 -4.53 3.42 8.00 -0.50 -0.88 116.55 124.01 1upp n ASP 202 Ca 0.00 1.11 -0.34 0.00 0.71 0.00 0.00 54.79 56.26 1upp n ASP 202 Cb 0.00 -1.22 0.10 0.00 -0.02 0.00 0.00 41.12 39.99 1upp n ASP 202 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1upp n ASP 203 N 3.12 -0.63 -0.25 -2.24 -0.08 -1.26 -4.91 116.55 110.31 1upp n ASP 203 Ca 0.19 0.52 -0.03 0.00 -1.51 0.00 0.00 54.79 53.96 1upp n ASP 203 Cb 0.20 -1.32 0.08 0.00 2.34 0.00 0.00 41.12 42.41 1upp n ASP 203 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1upp h GLU 204 N -0.89 0.82 -0.32 -0.67 9.09 -1.98 -2.84 114.58 117.79 1upp h GLU 204 Ca -0.45 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1upp h GLU 204 Cb 1.31 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1upp h GLU 204 CO 0.41 0.54 0.00 0.27 0.05 0.00 0.00 179.01 180.29 1upp n ASN 205 N -4.67 2.02 -4.45 3.06 6.94 -1.26 -4.70 115.26 112.19 1upp n ASN 205 Ca 0.07 -1.91 -0.43 0.00 -0.02 0.00 0.00 54.58 52.29 1upp n ASN 205 Cb 0.09 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 37.25 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 -1.57 4.48 0.00 3.53 1.01 -1.07 -4.91 120.40 121.86 1upp s VAL 206 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1upp s VAL 206 Cb 0.15 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1upp s VAL 206 CO 0.21 -1.26 0.00 0.59 0.00 0.00 0.00 175.10 174.64 1upp n ASN 207 N 7.27 0.00 -3.65 3.32 5.03 -1.26 -4.81 115.26 121.16 1upp n ASN 207 Ca -0.04 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.22 1upp n ASN 207 Cb 0.45 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 39.05 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 0.82 1.11 0.15 6.41 0.15 -1.26 -4.21 113.70 116.86 1upp s SER 208 Ca 0.00 0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.79 1upp s SER 208 Cb 0.00 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1upp s SER 208 CO 0.00 -0.27 -0.09 -1.10 1.20 0.00 0.00 173.24 172.99 1upp s GLN 209 N 2.24 1.04 0.43 5.44 1.11 -0.84 -4.89 119.66 124.19 1upp s GLN 209 Ca 0.04 -1.45 0.28 0.00 0.01 0.00 0.00 55.36 54.24 1upp s GLN 209 Cb -0.13 -0.55 1.39 0.00 -1.01 0.00 0.00 33.01 32.71 1upp s GLN 209 CO -0.06 0.04 1.63 -1.35 0.01 0.00 0.00 175.29 175.56 1upp h PRO 210 N 2.79 0.10 0.00 2.91 0.11 -2.02 -0.52 132.00 135.38 1upp h PRO 210 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1upp h PRO 210 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1upp h PRO 210 CO 0.64 0.07 -0.41 1.97 -0.21 0.00 0.00 178.00 180.06 1upp n PHE 211 N -4.75 0.50 -3.38 0.65 1.16 -1.26 -4.79 117.46 105.59 1upp n PHE 211 Ca 0.36 0.14 0.02 0.00 -1.87 0.00 0.00 57.45 56.11 1upp n PHE 211 Cb 1.38 -0.64 -0.03 0.00 -1.61 0.00 0.00 39.48 38.58 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 -3.11 0.52 -0.02 3.97 0.00 -0.20 -4.16 119.30 116.30 1upp s MET 212 Ca 0.09 1.11 -0.09 0.00 0.00 0.00 0.00 55.69 56.80 1upp s MET 212 Cb 0.14 0.65 -0.05 0.00 0.00 0.00 0.00 34.83 35.57 1upp s MET 212 CO 0.67 -0.37 0.29 1.03 0.00 0.00 0.00 175.02 176.65 1upp s ARG 213 N 2.84 3.66 0.17 4.11 1.81 -1.24 -1.98 118.95 128.33 1upp s ARG 213 Ca 0.06 0.08 -0.16 0.00 -1.72 0.00 0.00 55.73 53.99 1upp s ARG 213 Cb -0.13 -3.14 0.13 0.00 -0.45 0.00 0.00 34.95 31.37 1upp s ARG 213 CO -0.19 0.68 1.67 0.11 -0.68 0.00 0.00 175.30 176.89 1upp h TRP 214 N 4.40 -0.18 -0.56 -0.53 5.08 -1.90 -2.66 115.95 119.60 1upp h TRP 214 Ca -0.52 0.04 -0.10 0.00 1.08 0.00 0.00 58.89 59.40 1upp h TRP 214 Cb 1.21 0.15 -0.02 0.00 -3.00 0.00 0.00 29.16 27.50 1upp h TRP 214 CO 0.71 -0.17 -0.03 -0.09 -1.28 0.00 0.00 178.44 177.58 1upp h ARG 215 N 0.03 1.01 -0.82 0.12 2.43 -1.94 0.48 114.38 115.68 1upp h ARG 215 Ca 0.22 -0.34 0.13 0.00 -0.81 0.00 0.00 59.98 59.18 1upp h ARG 215 Cb 0.33 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.71 1upp h ARG 215 CO -0.44 1.02 0.42 -0.44 -1.51 0.00 0.00 179.97 179.02 1upp h ASP 216 N 0.89 0.52 -0.14 -3.80 3.32 -1.96 -2.16 116.42 113.09 1upp h ASP 216 Ca 0.15 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1upp h ASP 216 Cb 0.58 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1upp h ASP 216 CO 0.03 0.24 0.07 -0.09 -1.72 0.00 0.00 179.24 177.77 1upp h ARG 217 N 0.63 0.20 0.07 3.56 2.43 0.25 -2.31 114.38 119.20 1upp h ARG 217 Ca 0.44 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1upp h ARG 217 Cb 0.58 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1upp h ARG 217 CO -0.34 0.25 -0.03 0.74 -1.51 0.00 0.00 179.97 179.07 1upp h PHE 218 N 0.10 -0.09 -0.53 2.20 -1.00 -0.50 0.13 116.94 117.25 1upp h PHE 218 Ca 0.05 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.89 1upp h PHE 218 Cb 0.11 0.03 -0.10 0.00 3.61 0.00 0.00 35.95 39.60 1upp h PHE 218 CO -0.03 0.13 -0.51 1.25 -1.61 0.00 0.00 178.31 177.54 1upp h LEU 219 N -0.29 -1.73 -0.69 1.54 5.85 -1.45 0.13 115.31 118.67 1upp h LEU 219 Ca -0.01 0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1upp h LEU 219 Cb 0.25 0.74 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1upp h LEU 219 CO 0.02 -0.36 0.15 -0.26 -0.34 0.00 0.00 178.44 177.64 1upp h PHE 220 N -0.29 1.19 -0.56 1.25 0.04 -0.85 -1.98 116.94 115.73 1upp h PHE 220 Ca 0.13 -0.15 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 1upp h PHE 220 Cb 0.57 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1upp h PHE 220 CO -0.74 0.98 0.02 0.00 -0.60 0.00 0.00 178.31 177.96 1upp h ALA 222 N 1.12 -0.16 0.28 0.00 0.00 -0.36 0.31 119.26 120.46 1upp h ALA 222 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1upp h ALA 222 Cb 0.50 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1upp h ALA 222 CO 0.02 -0.65 -0.29 1.49 0.00 0.00 0.00 179.25 179.82 1upp h GLU 223 N -0.25 -0.59 -0.94 0.00 4.81 -0.62 0.12 114.58 117.10 1upp h GLU 223 Ca 0.08 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.49 1upp h GLU 223 Cb 0.36 0.13 -0.15 0.00 0.63 0.00 0.00 28.75 29.72 1upp h GLU 223 CO -0.22 -0.39 -0.39 0.00 -0.73 0.00 0.00 179.01 177.28 1upp h ALA 224 N -0.03 0.09 0.01 2.92 0.00 -0.82 -1.51 119.26 119.92 1upp h ALA 224 Ca -0.01 0.25 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 1upp h ALA 224 Cb 0.57 1.01 0.02 0.00 0.00 0.00 0.00 17.79 19.38 1upp h ALA 224 CO -0.07 -0.65 -1.04 1.37 0.00 0.00 0.00 179.25 178.86 1upp h LEU 225 N -0.02 0.86 -0.89 0.00 8.10 0.37 -0.91 115.31 122.82 1upp h LEU 225 Ca 0.32 -0.69 0.12 0.00 0.11 0.00 0.00 57.88 57.73 1upp h LEU 225 Cb 0.58 -0.26 -0.08 0.00 -0.44 0.00 0.00 40.66 40.46 1upp h LEU 225 CO -0.95 1.50 0.52 1.88 -4.11 0.00 0.00 178.44 177.28 1upp h TYR 226 N 0.37 0.94 -0.02 0.17 0.05 -0.75 -1.06 116.97 116.68 1upp h TYR 226 Ca -0.13 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1upp h TYR 226 Cb 1.69 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 39.15 1upp h TYR 226 CO 0.10 0.35 0.01 -0.22 -1.05 0.00 0.00 178.16 177.35 1upp h LYS 227 N 0.83 0.02 -0.46 4.88 3.64 -0.48 -1.62 116.57 123.38 1upp h LYS 227 Ca 0.45 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.91 1upp h LYS 227 Cb 0.47 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 1upp h LYS 227 CO -0.28 0.06 0.03 0.00 -2.27 0.00 0.00 179.45 176.99 1upp h ALA 228 N 0.96 0.46 -0.69 5.00 0.00 -0.98 -1.22 119.26 122.80 1upp h ALA 228 Ca 0.01 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1upp h ALA 228 Cb 0.04 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1upp h ALA 228 CO -0.00 -0.36 0.45 0.37 0.00 0.00 0.00 179.25 179.70 1upp h GLN 229 N 0.15 0.91 -0.57 0.00 4.15 -0.85 -0.50 115.11 118.40 1upp h GLN 229 Ca 0.23 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1upp h GLN 229 Cb 0.32 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1upp h GLN 229 CO -0.35 0.61 0.26 0.00 -1.93 0.00 0.00 178.83 177.42 1upp h ALA 230 N 1.25 0.73 0.16 3.38 0.00 -0.91 0.24 119.26 124.11 1upp h ALA 230 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1upp h ALA 230 Cb -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1upp h ALA 230 CO -0.05 0.31 -0.08 1.49 0.00 0.00 0.00 179.25 180.92 1upp h GLU 231 N 0.77 -0.21 0.00 0.00 4.81 -1.00 -3.35 114.58 115.59 1upp h GLU 231 Ca 0.19 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1upp h GLU 231 Cb 0.15 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1upp h GLU 231 CO -0.02 -0.05 -1.01 0.25 -0.73 0.00 0.00 179.01 177.45 1upp n THR 232 N -5.13 0.30 -0.99 0.32 -2.24 -0.22 -4.97 114.28 101.35 1upp n THR 232 Ca -0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1upp n THR 232 Cb 0.15 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 1.31 0.15 3.49 3.38 0.00 0.06 -5.02 105.19 108.56 1upp n GLY 233 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.38 2.35 0.28 1.61 2.02 -1.26 -5.07 118.70 117.25 1upp s GLU 234 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.88 1upp s GLU 234 Cb 0.00 -2.33 -0.10 0.00 0.10 0.00 0.00 34.13 31.80 1upp s GLU 234 CO 0.00 0.59 1.46 0.42 0.02 0.00 0.00 175.26 177.75 1upp s ILE 235 N -0.87 2.49 0.31 -1.63 1.01 -1.26 -4.55 121.20 116.70 1upp s ILE 235 Ca 0.14 0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.28 1upp s ILE 235 Cb -0.11 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 1upp s ILE 235 CO 0.04 0.07 -0.02 -0.54 0.00 0.00 0.00 174.94 174.50 1upp s LYS 236 N -0.69 1.65 0.17 2.79 -0.14 -1.26 -4.91 119.74 117.35 1upp s LYS 236 Ca 0.59 -1.87 -0.08 0.00 -1.36 0.00 0.00 55.97 53.24 1upp s LYS 236 Cb -0.43 -1.16 -0.01 0.00 -1.68 0.00 0.00 37.83 34.54 1upp s LYS 236 CO 0.47 -0.03 0.28 0.20 -0.76 0.00 0.00 175.35 175.50 1upp s GLY 237 N -3.50 0.60 -0.14 -3.33 0.00 -0.64 -4.79 107.32 95.53 1upp s GLY 237 Ca 0.32 -0.99 -0.06 0.00 0.00 0.00 0.00 44.72 44.00 1upp s GLY 237 CO 0.14 -0.89 0.29 -1.58 0.00 0.00 0.00 173.10 171.06 1upp s HIS 238 N -3.99 -0.46 -0.52 1.90 2.46 -1.26 -2.76 115.29 110.66 1upp s HIS 238 Ca 0.20 1.02 -0.28 0.00 0.47 0.00 0.00 55.06 56.47 1upp s HIS 238 Cb 0.03 0.05 0.03 0.00 -0.13 0.00 0.00 32.58 32.57 1upp s HIS 238 CO 0.02 -0.34 1.13 0.71 -2.47 0.00 0.00 174.74 173.79 1upp s TYR 239 N 2.06 2.74 -0.35 3.88 2.02 -0.06 -4.70 117.35 122.94 1upp s TYR 239 Ca -0.03 0.52 -0.26 0.00 -0.37 0.00 0.00 57.07 56.93 1upp s TYR 239 Cb -0.11 -4.41 0.01 0.00 -0.40 0.00 0.00 41.96 37.05 1upp s TYR 239 CO -0.09 -1.39 0.93 -0.51 -1.57 0.00 0.00 175.55 172.91 1upp s LEU 240 N 4.56 4.00 -0.27 -1.29 1.43 -1.24 -1.41 118.68 124.46 1upp s LEU 240 Ca 0.44 0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 53.91 1upp s LEU 240 Cb -0.08 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 1upp s LEU 240 CO 0.28 -0.83 1.58 0.21 0.23 0.00 0.00 176.35 177.83 1upp s ASN 241 N 1.81 6.33 0.00 2.29 3.04 -1.26 -0.31 114.94 126.84 1upp s ASN 241 Ca 0.38 1.42 0.28 0.00 0.04 0.00 0.00 52.86 54.98 1upp s ASN 241 Cb -0.12 -2.53 1.41 0.00 -1.54 0.00 0.00 41.25 38.46 1upp s ASN 241 CO 0.17 -1.33 1.94 0.00 -3.04 0.00 0.00 177.10 174.84 1upp n ALA 242 N 8.69 2.62 -1.76 1.71 0.00 -0.23 -4.91 120.51 126.63 1upp n ALA 242 Ca 0.19 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1upp n ALA 242 Cb 0.46 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.40 1.50 -3.93 0.00 -1.04 -1.26 -4.40 114.28 104.76 1upp n THR 243 Ca 0.21 -0.37 -0.08 0.00 -2.04 0.00 0.00 64.05 61.76 1upp n THR 243 Cb 0.22 -1.97 -0.04 0.00 -1.82 0.00 0.00 70.33 66.72 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 -0.55 -0.71 0.29 2.41 0.00 -1.26 -4.82 121.76 117.13 1upp s ALA 244 Ca 0.59 -0.60 0.16 0.00 0.00 0.00 0.00 51.96 52.10 1upp s ALA 244 Cb -0.48 0.96 0.72 0.00 0.00 0.00 0.00 23.12 24.32 1upp s ALA 244 CO 0.56 -0.94 1.78 0.78 0.00 0.00 0.00 175.76 177.95 1upp h GLY 245 N 2.14 0.00 -2.69 0.00 0.00 -1.95 -3.47 103.07 97.10 1upp h GLY 245 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 1upp h GLY 245 CO 0.30 0.00 -0.58 -0.51 0.00 0.00 0.00 176.54 175.75 1upp s THR 246 N -3.90 0.04 0.17 4.70 -4.23 -1.26 -5.05 115.64 106.10 1upp s THR 246 Ca -0.02 -1.88 0.13 0.00 -1.18 0.00 0.00 61.69 58.74 1upp s THR 246 Cb 0.13 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1upp s THR 246 CO 0.70 -0.19 1.57 0.00 -0.54 0.00 0.00 174.62 176.17 1upp h GLU 248 N 0.00 0.15 -0.82 0.00 3.07 -1.99 0.50 114.58 115.49 1upp h GLU 248 Ca -0.01 -0.07 0.16 0.00 -0.50 0.00 0.00 59.36 58.95 1upp h GLU 248 Cb 1.19 -0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.99 1upp h GLU 248 CO 0.08 0.53 0.37 -0.44 -1.40 0.00 0.00 179.01 178.14 1upp h ASP 249 N -0.23 0.37 0.22 1.42 5.19 -1.95 -2.25 116.42 119.20 1upp h ASP 249 Ca 0.02 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1upp h ASP 249 Cb 0.48 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1upp h ASP 249 CO 0.01 0.12 -0.14 -0.03 -3.12 0.00 0.00 179.24 176.07 1upp h MET 250 N 0.49 -0.34 -0.65 3.56 4.05 -1.03 -2.76 114.93 118.24 1upp h MET 250 Ca 0.47 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 1upp h MET 250 Cb 0.74 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.59 1upp h MET 250 CO -0.42 -0.23 0.42 0.52 0.23 0.00 0.00 176.91 177.42 1upp h MET 251 N -0.36 0.87 0.00 0.39 2.86 -0.70 -1.33 114.93 116.66 1upp h MET 251 Ca -0.02 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1upp h MET 251 Cb 0.31 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1upp h MET 251 CO 0.01 0.59 -0.06 0.87 1.06 0.00 0.00 176.91 179.38 1upp h LYS 252 N 0.89 0.00 0.09 1.72 1.57 -1.12 0.25 116.57 119.97 1upp h LYS 252 Ca 0.24 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 1upp h LYS 252 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1upp h LYS 252 CO -0.05 0.06 -1.10 0.00 -0.57 0.00 0.00 179.45 177.80 1upp h ARG 253 N 0.00 0.18 -0.28 3.15 3.08 -1.12 -2.82 114.38 116.57 1upp h ARG 253 Ca -0.00 -0.31 0.03 0.00 0.07 0.00 0.00 59.98 59.77 1upp h ARG 253 Cb 0.19 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 1upp h ARG 253 CO 0.01 1.15 -0.39 0.00 -1.07 0.00 0.00 179.97 179.66 1upp h ALA 254 N -0.08 -0.64 -0.81 0.04 0.00 -1.40 -0.66 119.26 115.69 1upp h ALA 254 Ca -0.24 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1upp h ALA 254 Cb 1.57 1.00 -0.10 0.00 0.00 0.00 0.00 17.79 20.27 1upp h ALA 254 CO 0.03 -0.83 0.37 0.28 0.00 0.00 0.00 179.25 179.09 1upp h VAL 255 N -0.28 0.66 -0.56 0.00 2.07 -1.05 0.19 116.25 117.28 1upp h VAL 255 Ca 0.05 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1upp h VAL 255 Cb 0.42 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1upp h VAL 255 CO -0.42 0.09 0.06 0.15 0.02 0.00 0.00 177.57 177.48 1upp h PHE 256 N 0.51 1.02 -0.17 1.57 3.57 -1.20 -1.72 116.94 120.52 1upp h PHE 256 Ca 0.45 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1upp h PHE 256 Cb 0.69 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1upp h PHE 256 CO -0.13 0.91 0.10 0.00 -2.23 0.00 0.00 178.31 176.95 1upp h ALA 257 N 0.99 0.21 -0.63 2.41 0.00 -0.67 -0.54 119.26 121.02 1upp h ALA 257 Ca 0.17 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1upp h ALA 257 Cb 0.46 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 1upp h ALA 257 CO 0.02 -0.33 -0.48 -0.09 0.00 0.00 0.00 179.25 178.37 1upp h ARG 258 N 0.20 -0.21 -0.66 0.00 1.12 -0.83 -2.40 114.38 111.60 1upp h ARG 258 Ca 0.07 0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.08 1upp h ARG 258 Cb -0.00 0.05 -0.10 0.00 -0.01 0.00 0.00 29.97 29.91 1upp h ARG 258 CO -0.03 -0.14 0.14 1.49 -3.11 0.00 0.00 179.97 178.32 1upp h GLU 259 N -0.22 0.26 0.00 0.20 4.81 -0.95 -2.31 114.58 116.38 1upp h GLU 259 Ca 0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1upp h GLU 259 Cb 0.55 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1upp h GLU 259 CO -0.72 0.17 0.00 1.28 -0.73 0.00 0.00 179.01 179.01 1upp n LEU 260 N -5.14 0.47 -0.93 1.64 4.77 -0.24 -4.92 117.00 112.64 1upp n LEU 260 Ca 0.11 0.68 -0.10 0.00 -0.03 0.00 0.00 56.01 56.66 1upp n LEU 260 Cb 0.38 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1upp n LEU 260 CO 0.15 -0.72 -0.11 0.61 -1.33 0.00 0.00 177.39 175.99 1upp n GLY 261 N -0.83 0.74 3.88 -0.72 0.00 -0.87 -5.02 105.19 102.36 1upp n GLY 261 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.43 4.75 -0.13 1.61 -7.23 -1.23 -5.03 120.40 110.71 1upp s VAL 262 Ca 0.00 0.69 0.15 0.00 -1.81 0.00 0.00 61.98 61.01 1upp s VAL 262 Cb 0.00 -3.83 0.06 0.00 0.56 0.00 0.00 36.38 33.17 1upp s VAL 262 CO 0.00 -0.91 1.46 1.55 -0.31 0.00 0.00 175.10 176.89 1upp h PRO 263 N 0.24 0.00 -2.88 4.82 0.13 -1.92 -3.45 132.00 128.95 1upp h PRO 263 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 1upp h PRO 263 Cb 1.19 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 1upp h PRO 263 CO 0.62 0.51 -0.38 -1.50 -0.23 0.00 0.00 178.00 177.02 1upp s ILE 264 N -3.00 -0.02 0.43 -3.56 2.07 -1.26 -1.10 121.20 114.76 1upp s ILE 264 Ca 0.04 0.08 0.06 0.00 -1.41 0.00 0.00 60.65 59.42 1upp s ILE 264 Cb 0.08 -0.48 -0.06 0.00 0.13 0.00 0.00 42.46 42.13 1upp s ILE 264 CO 0.74 0.03 0.01 0.68 -1.91 0.00 0.00 174.94 174.50 1upp s VAL 265 N 0.96 1.81 0.25 4.00 -7.23 -0.69 -3.73 120.40 115.78 1upp s VAL 265 Ca -0.06 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.18 1upp s VAL 265 Cb -0.07 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 1upp s VAL 265 CO -0.07 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.63 1upp s MET 266 N -3.75 1.47 -0.07 4.82 0.23 0.58 -0.17 119.30 122.40 1upp s MET 266 Ca 0.28 -1.71 -0.15 0.00 -1.03 0.00 0.00 55.69 53.09 1upp s MET 266 Cb 0.08 -1.14 0.03 0.00 -1.53 0.00 0.00 34.83 32.27 1upp s MET 266 CO 0.15 0.09 0.35 -1.58 -2.03 0.00 0.00 175.02 172.00 1upp s HIS 267 N -3.00 -0.30 -0.73 3.16 5.04 -0.67 -1.07 115.29 117.72 1upp s HIS 267 Ca 0.27 0.62 -0.11 0.00 -1.54 0.00 0.00 55.06 54.30 1upp s HIS 267 Cb 0.02 0.13 0.19 0.00 0.04 0.00 0.00 32.58 32.96 1upp s HIS 267 CO 0.10 -0.32 0.64 -0.51 -2.34 0.00 0.00 174.74 172.31 1upp s ASP 268 N -0.67 6.27 0.25 9.88 1.01 -1.26 -0.86 116.67 131.29 1upp s ASP 268 Ca -0.08 -2.62 -0.04 0.00 0.71 0.00 0.00 52.55 50.53 1upp s ASP 268 Cb -0.04 -2.11 0.40 0.00 1.01 0.00 0.00 42.92 42.18 1upp s ASP 268 CO 0.03 -0.55 1.84 0.10 0.21 0.00 0.00 175.17 176.80 1upp h TYR 269 N 7.72 1.00 0.17 4.23 -0.00 -1.88 -0.90 116.97 127.30 1upp h TYR 269 Ca 0.02 0.03 -0.30 0.00 -0.00 0.00 0.00 58.73 58.49 1upp h TYR 269 Cb 1.02 -0.32 0.02 0.00 -0.00 0.00 0.00 36.73 37.45 1upp h TYR 269 CO 0.91 0.46 -1.34 -0.07 -0.00 0.00 0.00 178.16 178.11 1upp h LEU 270 N 0.94 0.57 0.12 0.10 3.38 -1.80 1.00 115.31 119.63 1upp h LEU 270 Ca 0.41 -0.62 -0.27 0.00 0.09 0.00 0.00 57.88 57.49 1upp h LEU 270 Cb 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1upp h LEU 270 CO -0.21 1.49 -1.23 0.71 0.09 0.00 0.00 178.44 179.29 1upp h THR 271 N 0.10 1.51 0.48 0.22 1.35 -1.72 -3.23 112.91 111.62 1upp h THR 271 Ca -0.18 -3.08 -0.02 0.00 -0.55 0.00 0.00 66.41 62.57 1upp h THR 271 Cb 2.05 2.94 0.00 0.00 -1.73 0.00 0.00 68.15 71.41 1upp h THR 271 CO 0.23 0.90 -0.23 1.23 -0.25 0.00 0.00 175.52 177.39 1upp h GLY 272 N 1.66 -0.68 0.00 5.82 0.00 -1.27 -3.50 103.07 105.10 1upp h GLY 272 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1upp h GLY 272 CO 0.20 -0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.10 1upp n GLY 273 N -0.67 3.02 0.26 4.60 0.00 0.35 -4.71 105.19 108.03 1upp n GLY 273 Ca -0.11 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 0.88 -0.65 1.61 0.04 -1.87 -0.15 116.94 116.80 1upp h PHE 274 Ca 0.00 -0.06 0.14 0.00 2.80 0.00 0.00 57.97 60.85 1upp h PHE 274 Cb 0.00 -0.27 -0.10 0.00 2.20 0.00 0.00 35.95 37.78 1upp h PHE 274 CO 0.00 0.69 0.08 1.15 -0.60 0.00 0.00 178.31 179.63 1upp h THR 275 N 0.82 0.53 0.04 -1.55 2.02 -1.93 -0.93 112.91 111.90 1upp h THR 275 Ca 0.20 -0.07 -0.23 0.00 0.77 0.00 0.00 66.41 67.09 1upp h THR 275 Cb 0.16 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1upp h THR 275 CO -0.02 0.03 -1.01 0.00 0.37 0.00 0.00 175.52 174.90 1upp h ALA 276 N 1.56 0.34 -0.10 6.16 0.00 -1.80 -2.87 119.26 122.55 1upp h ALA 276 Ca 0.35 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1upp h ALA 276 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1upp h ALA 276 CO -0.50 0.91 0.06 -0.97 0.00 0.00 0.00 179.25 178.76 1upp h ASN 277 N 0.13 0.11 -0.21 0.00 -0.73 -0.74 -1.33 115.58 112.81 1upp h ASN 277 Ca -0.08 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 1upp h ASN 277 Cb 1.67 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.23 1upp h ASN 277 CO 0.16 0.08 0.10 0.74 -0.37 0.00 0.00 177.43 178.14 1upp h THR 278 N 0.13 1.15 -0.65 -3.57 2.02 -1.15 0.73 112.91 111.56 1upp h THR 278 Ca 0.04 -0.44 0.11 0.00 0.77 0.00 0.00 66.41 66.89 1upp h THR 278 Cb -0.01 1.04 -0.12 0.00 -1.74 0.00 0.00 68.15 67.32 1upp h THR 278 CO -0.01 0.15 -0.32 0.74 0.37 0.00 0.00 175.52 176.44 1upp h THR 279 N 0.21 0.16 -0.20 3.16 2.02 -1.53 -1.46 112.91 115.26 1upp h THR 279 Ca 0.07 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.14 1upp h THR 279 Cb 0.14 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1upp h THR 279 CO -0.01 0.00 -0.38 0.25 0.37 0.00 0.00 175.52 175.75 1upp h LEU 280 N -0.13 0.46 -0.37 2.58 5.85 0.07 -2.37 115.31 121.41 1upp h LEU 280 Ca 0.26 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1upp h LEU 280 Cb 0.56 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1upp h LEU 280 CO -0.72 0.80 0.22 -1.28 -0.34 0.00 0.00 178.44 177.11 1upp h SER 281 N 0.37 0.44 -0.03 1.25 0.87 0.11 -0.51 113.55 116.05 1upp h SER 281 Ca 0.04 -0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1upp h SER 281 Cb 0.83 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.62 1upp h SER 281 CO 0.07 0.38 -0.46 0.45 -0.53 0.00 0.00 176.83 176.73 1upp h HIS 282 N 0.47 -1.33 -0.98 2.24 3.86 -0.95 -1.32 115.15 117.15 1upp h HIS 282 Ca 0.13 0.04 0.23 0.00 -1.16 0.00 0.00 60.37 59.61 1upp h HIS 282 Cb 0.02 0.58 -0.08 0.00 1.06 0.00 0.00 27.41 28.99 1upp h HIS 282 CO -0.03 -0.52 0.63 -0.92 0.86 0.00 0.00 177.93 177.95 1upp h TYR 283 N -0.59 0.65 0.00 2.45 3.20 -1.25 0.76 116.97 122.18 1upp h TYR 283 Ca 0.04 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.73 1upp h TYR 283 Cb 0.68 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1upp h TYR 283 CO -0.47 0.13 -0.98 0.00 -1.64 0.00 0.00 178.16 175.20 1upp h ARG 285 N 0.00 -0.22 0.00 0.00 9.65 -0.79 -1.21 114.38 121.82 1upp h ARG 285 Ca -0.01 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1upp h ARG 285 Cb 1.73 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.36 1upp h ARG 285 CO 0.13 -0.14 0.00 -0.25 2.80 0.00 0.00 179.97 182.50 1upp n ASP 286 N -5.20 0.36 0.00 -3.80 8.00 0.22 -3.05 116.55 113.07 1upp n ASP 286 Ca -0.08 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1upp n ASP 286 Cb 0.13 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 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 -1.93 0.77 -0.87 -2.24 3.02 -0.88 -5.02 115.26 108.11 1upp n ASN 287 Ca 0.01 -1.30 -0.09 0.00 -0.03 0.00 0.00 54.58 53.17 1upp n ASN 287 Cb 0.14 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.15 0.66 3.82 7.41 0.00 -0.50 -5.01 105.19 111.42 1upp n GLY 288 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.38 4.24 0.69 0.99 1.43 -0.93 -4.97 118.68 117.75 1upp s LEU 289 Ca 0.00 0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 53.33 1upp s LEU 289 Cb 0.00 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1upp s LEU 289 CO 0.00 0.35 1.11 -0.76 0.23 0.00 0.00 176.35 177.28 1upp s LEU 290 N -0.68 3.31 -0.18 1.79 1.43 -0.26 -4.59 118.68 119.50 1upp s LEU 290 Ca 0.13 1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 55.19 1upp s LEU 290 Cb -0.12 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.61 1upp s LEU 290 CO 0.02 -1.78 0.04 -0.22 0.23 0.00 0.00 176.35 174.64 1upp s LEU 291 N -5.12 1.10 -0.19 1.79 2.96 -1.26 -1.70 118.68 116.26 1upp s LEU 291 Ca 0.66 -0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 1upp s LEU 291 Cb -0.20 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 1upp s LEU 291 CO 0.45 -0.30 0.40 -2.28 -1.32 0.00 0.00 176.35 173.30 1upp s HIS 292 N 1.88 3.39 -0.14 5.38 5.65 0.75 -0.49 115.29 131.71 1upp s HIS 292 Ca -0.00 0.65 -0.05 0.00 0.25 0.00 0.00 55.06 55.91 1upp s HIS 292 Cb -0.17 -2.52 -0.04 0.00 -1.18 0.00 0.00 32.58 28.68 1upp s HIS 292 CO -0.08 0.02 0.03 0.42 -0.65 0.00 0.00 174.74 174.48 1upp s ILE 293 N 1.20 4.48 -0.02 0.89 -1.09 0.10 -1.68 121.20 125.08 1upp s ILE 293 Ca 0.20 -0.16 -0.08 0.00 -2.23 0.00 0.00 60.65 58.38 1upp s ILE 293 Cb -0.15 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.72 1upp s ILE 293 CO 0.08 0.52 0.26 -2.28 -1.23 0.00 0.00 174.94 172.29 1upp s HIS 294 N -0.09 3.61 -0.36 3.97 5.65 -0.04 -3.20 115.29 124.82 1upp s HIS 294 Ca 0.05 0.63 0.07 0.00 0.25 0.00 0.00 55.06 56.06 1upp s HIS 294 Cb -0.12 -2.03 0.60 0.00 -1.18 0.00 0.00 32.58 29.84 1upp s HIS 294 CO 0.02 0.65 1.69 2.89 -0.65 0.00 0.00 174.74 179.33 1upp n ARG 295 N 1.42 2.17 -1.58 2.88 1.85 -1.26 -3.01 116.66 119.13 1upp n ARG 295 Ca -0.14 -3.10 -0.50 0.00 -1.00 0.00 0.00 57.85 53.12 1upp n ARG 295 Cb 0.53 -2.01 -0.04 0.00 -1.05 0.00 0.00 32.46 29.89 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 -1.06 -0.87 -0.00 2.89 0.00 -1.26 -1.09 120.51 119.11 1upp n ALA 296 Ca 0.45 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.37 1upp n ALA 296 Cb 1.35 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.89 0.00 -0.14 0.00 0.00 -1.26 -4.25 117.12 113.36 1upp n MET 297 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.86 1upp n MET 297 Cb 0.23 -0.92 0.27 0.00 0.00 0.00 0.00 33.22 32.80 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 0.81 0.00 1.12 -0.00 -1.53 -2.43 115.15 113.12 1upp h HIS 298 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1upp h HIS 298 Cb 0.00 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.14 1upp h HIS 298 CO 0.00 0.57 -0.15 0.00 -0.00 0.00 0.00 177.93 178.36 1upp h ALA 299 N 1.52 0.99 -0.99 6.11 0.00 -1.92 0.73 119.26 125.69 1upp h ALA 299 Ca 0.21 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1upp h ALA 299 Cb 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1upp h ALA 299 CO -0.03 0.18 0.62 0.28 0.00 0.00 0.00 179.25 180.30 1upp h VAL 300 N 0.00 0.81 0.00 0.00 2.07 -1.85 -2.94 116.25 114.35 1upp h VAL 300 Ca -0.00 -0.29 -0.30 0.00 0.82 0.00 0.00 66.70 66.92 1upp h VAL 300 Cb 0.73 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1upp h VAL 300 CO 0.02 0.15 -2.11 -0.38 0.02 0.00 0.00 177.57 175.28 1upp n ILE 301 N -4.67 1.32 0.48 4.57 5.41 -0.19 -4.72 119.36 121.55 1upp n ILE 301 Ca 0.21 -0.80 0.09 0.00 1.00 0.00 0.00 62.75 63.24 1upp n ILE 301 Cb 0.47 -0.59 0.11 0.00 -0.71 0.00 0.00 39.64 38.93 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 2.71 0.05 4.38 5.68 0.24 -2.02 116.55 124.79 1upp n ASP 302 Ca -0.25 -1.80 -0.17 0.00 -0.50 0.00 0.00 54.79 52.07 1upp n ASP 302 Cb 1.06 -0.09 -0.08 0.00 -1.14 0.00 0.00 41.12 40.87 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 3.38 0.59 -5.68 0.11 9.65 -1.75 -3.43 114.38 117.25 1upp h ARG 303 Ca 0.00 -0.63 -0.58 0.00 -1.10 0.00 0.00 59.98 57.66 1upp h ARG 303 Cb 0.76 0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 29.44 1upp h ARG 303 CO 0.00 1.24 -0.21 -0.65 2.80 0.00 0.00 179.97 183.15 1upp s GLN 304 N -3.29 4.26 0.37 0.20 -1.52 -1.26 -3.89 119.66 114.52 1upp s GLN 304 Ca -0.08 0.32 0.15 0.00 -1.95 0.00 0.00 55.36 53.80 1upp s GLN 304 Cb 0.08 -3.41 1.02 0.00 -0.22 0.00 0.00 33.01 30.48 1upp s GLN 304 CO 0.90 0.25 1.75 -0.22 -0.25 0.00 0.00 175.29 177.72 1upp h LYS 305 N 6.48 0.45 0.02 2.91 3.64 -1.88 -3.28 116.57 124.92 1upp h LYS 305 Ca -0.42 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 58.66 1upp h LYS 305 Cb 1.18 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1upp h LYS 305 CO 0.74 0.30 -1.49 -2.95 -2.27 0.00 0.00 179.45 173.78 1upp h ASN 306 N 0.47 0.06 -3.22 4.20 -1.07 -1.94 -3.46 115.58 110.61 1upp h ASN 306 Ca 0.62 -0.10 -0.32 0.00 0.07 0.00 0.00 56.30 56.56 1upp h ASN 306 Cb 1.41 -0.02 -0.37 0.00 -2.07 0.00 0.00 38.32 37.27 1upp h ASN 306 CO -0.37 1.09 -0.68 -2.28 0.07 0.00 0.00 177.43 175.25 1upp s HIS 307 N -2.63 -0.06 0.00 4.14 5.04 -1.24 -3.52 115.29 117.02 1upp s HIS 307 Ca -0.04 0.43 0.00 0.00 -1.54 0.00 0.00 55.06 53.91 1upp s HIS 307 Cb 0.08 -0.35 0.00 0.00 0.04 0.00 0.00 32.58 32.36 1upp s HIS 307 CO 0.82 -0.22 0.00 0.41 -2.34 0.00 0.00 174.74 173.41 1upp n GLY 308 N 5.20 0.33 3.00 1.59 0.00 -0.54 -4.38 105.19 110.39 1upp n GLY 308 Ca -0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.38 0.16 0.62 1.61 -1.94 -0.86 -0.75 119.30 117.76 1upp s MET 309 Ca 0.00 0.61 -0.18 0.00 -1.71 0.00 0.00 55.69 54.41 1upp s MET 309 Cb 0.00 -0.11 -0.02 0.00 2.01 0.00 0.00 34.83 36.71 1upp s MET 309 CO 0.00 -0.23 1.22 -1.58 -0.01 0.00 0.00 175.02 174.42 1upp s HIS 310 N 1.82 2.31 0.32 -0.03 2.46 -0.29 -3.72 115.29 118.15 1upp s HIS 310 Ca -0.04 1.52 0.17 0.00 0.47 0.00 0.00 55.06 57.19 1upp s HIS 310 Cb -0.11 -3.51 0.85 0.00 -0.13 0.00 0.00 32.58 29.68 1upp s HIS 310 CO -0.08 -2.36 1.85 0.35 -2.47 0.00 0.00 174.74 172.02 1upp h PHE 311 N 0.66 0.00 -0.17 3.88 3.57 -1.91 -2.23 116.94 120.75 1upp h PHE 311 Ca -0.50 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.02 1upp h PHE 311 Cb 1.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1upp h PHE 311 CO 0.46 0.33 0.11 0.07 -2.23 0.00 0.00 178.31 177.05 1upp h ARG 312 N 0.00 0.12 0.14 1.11 0.11 -1.91 -0.62 114.38 113.33 1upp h ARG 312 Ca -0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1upp h ARG 312 Cb 0.67 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.72 1upp h ARG 312 CO 0.04 0.08 -0.07 0.28 0.10 0.00 0.00 179.97 180.40 1upp h VAL 313 N 0.12 0.84 -0.30 0.08 2.07 -1.64 -1.38 116.25 116.05 1upp h VAL 313 Ca 0.07 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1upp h VAL 313 Cb 0.14 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1upp h VAL 313 CO -0.01 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.46 1upp h LEU 314 N -0.20 0.45 -0.10 2.57 3.38 -1.30 -2.57 115.31 117.54 1upp h LEU 314 Ca -0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1upp h LEU 314 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1upp h LEU 314 CO 0.02 0.56 -0.34 0.00 0.09 0.00 0.00 178.44 178.77 1upp h ALA 315 N 1.50 0.18 0.08 1.53 0.00 -0.94 0.18 119.26 121.79 1upp h ALA 315 Ca 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1upp h ALA 315 Cb 0.38 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1upp h ALA 315 CO 0.02 0.24 -0.35 0.87 0.00 0.00 0.00 179.25 180.03 1upp h LYS 316 N -0.03 -0.53 -0.99 0.00 1.57 -1.03 0.01 116.57 115.57 1upp h LYS 316 Ca -0.01 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.93 1upp h LYS 316 Cb 0.97 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.32 1upp h LYS 316 CO 0.07 -0.35 0.62 0.00 -0.57 0.00 0.00 179.45 179.22 1upp h ALA 317 N 0.08 1.57 -0.28 3.86 0.00 -1.44 -1.54 119.26 121.51 1upp h ALA 317 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1upp h ALA 317 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1upp h ALA 317 CO -0.23 0.17 0.17 1.25 0.00 0.00 0.00 179.25 180.61 1upp h LEU 318 N 0.94 0.33 -1.24 0.00 7.12 -0.52 0.24 115.31 122.17 1upp h LEU 318 Ca 0.50 -0.04 0.14 0.00 0.13 0.00 0.00 57.88 58.60 1upp h LEU 318 Cb 0.55 -0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.52 1upp h LEU 318 CO -0.26 0.28 0.58 -0.09 -0.13 0.00 0.00 178.44 178.82 1upp h ARG 319 N 0.36 0.72 0.45 1.25 2.43 -0.13 0.22 114.38 119.67 1upp h ARG 319 Ca 0.10 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1upp h ARG 319 Cb 0.00 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1upp h ARG 319 CO -0.02 0.47 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.63 1upp h LEU 320 N 0.74 -0.51 -0.58 3.80 3.38 -0.83 -3.30 115.31 118.00 1upp h LEU 320 Ca 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1upp h LEU 320 Cb 0.69 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1upp h LEU 320 CO -0.22 -0.12 0.38 -1.28 0.09 0.00 0.00 178.44 177.29 1upp h SER 321 N -0.99 0.68 0.00 -0.43 0.87 -0.73 -2.26 113.55 110.69 1upp h SER 321 Ca -0.06 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1upp h SER 321 Cb 0.57 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1upp h SER 321 CO 0.10 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 177.52 1upp n GLY 322 N -1.22 3.44 3.34 5.77 0.00 0.76 -4.48 105.19 112.79 1upp n GLY 322 Ca 0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 0.35 -0.02 0.00 -1.23 -4.74 107.32 101.34 1upp s GLY 323 Ca 0.00 1.24 0.18 0.00 0.00 0.00 0.00 44.72 46.15 1upp s GLY 323 CO 0.00 1.07 1.59 -0.55 0.00 0.00 0.00 173.10 175.21 1upp h ASP 324 N 5.43 0.00 -3.71 1.64 3.32 -1.16 -3.42 116.42 118.52 1upp h ASP 324 Ca -0.27 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.43 1upp h ASP 324 Cb 1.18 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 1upp h ASP 324 CO 0.23 0.37 -0.76 -1.00 -1.72 0.00 0.00 179.24 176.37 1upp s HIS 325 N -3.23 0.49 0.03 4.55 3.76 -1.08 -1.70 115.29 118.11 1upp s HIS 325 Ca 0.03 -0.09 0.02 0.00 -0.15 0.00 0.00 55.06 54.87 1upp s HIS 325 Cb 0.08 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 1upp s HIS 325 CO 0.70 -0.08 -0.08 -1.50 -0.85 0.00 0.00 174.74 172.94 1upp s ILE 326 N 0.37 0.57 0.43 0.60 2.07 -1.00 0.01 121.20 124.25 1upp s ILE 326 Ca -0.04 -0.76 -0.25 0.00 -1.41 0.00 0.00 60.65 58.19 1upp s ILE 326 Cb -0.08 -0.57 -0.08 0.00 0.13 0.00 0.00 42.46 41.87 1upp s ILE 326 CO -0.00 -0.15 1.26 -1.00 -1.91 0.00 0.00 174.94 173.13 1upp s HIS 327 N -0.86 2.81 0.00 3.50 3.76 -1.20 -0.02 115.29 123.28 1upp s HIS 327 Ca -0.04 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.32 1upp s HIS 327 Cb -0.07 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 30.03 1upp s HIS 327 CO 0.00 -1.95 0.35 -1.13 -0.85 0.00 0.00 174.74 171.16 1upp n SER 328 N -0.13 0.54 0.00 1.40 3.41 0.24 -4.72 113.62 114.35 1upp n SER 328 Ca 0.05 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1upp n SER 328 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.06 -1.66 0.00 5.00 0.00 -1.24 -4.93 105.19 102.31 1upp n GLY 329 Ca 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.82 0.01 0.00 2.61 -2.24 -1.26 -4.28 114.28 107.30 1upp n THR 330 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1upp n THR 330 Cb 0.00 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.69 0.00 0.43 2.28 0.31 -1.26 -4.32 118.33 114.08 1upp n VAL 331 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.43 1upp n VAL 331 Cb 0.15 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.09 -0.38 2.52 0.24 -1.26 -4.65 118.33 114.89 1upp n VAL 332 Ca 0.00 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1upp n VAL 332 Cb 0.00 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 1.35 -0.50 0.26 7.63 0.00 -1.26 -4.28 105.19 108.39 1upp n GLY 333 Ca 0.00 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 -6.17 1.61 2.10 -1.48 -3.45 116.57 109.18 1upp h LYS 334 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 1upp h LYS 334 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 1upp h LYS 334 CO 0.00 0.11 -0.49 -0.51 -2.00 0.00 0.00 179.45 176.56 1upp s LEU 335 N -6.71 4.08 0.16 7.07 1.43 -1.26 -5.03 118.68 118.42 1upp s LEU 335 Ca -0.01 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1upp s LEU 335 Cb 0.11 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.62 1upp s LEU 335 CO 0.57 -0.02 0.90 -0.70 0.23 0.00 0.00 176.35 177.33 1upp s GLU 336 N -3.67 4.70 -0.29 1.70 2.12 -1.26 -4.61 118.70 117.39 1upp s GLU 336 Ca 0.33 1.36 -0.16 0.00 0.36 0.00 0.00 54.97 56.86 1upp s GLU 336 Cb -0.09 -3.32 0.17 0.00 0.26 0.00 0.00 34.13 31.15 1upp s GLU 336 CO 0.27 0.39 1.08 0.20 -0.54 0.00 0.00 175.26 176.65 1upp s GLY 337 N -0.61 0.15 -0.14 -1.50 0.00 -1.26 -4.94 107.32 99.02 1upp s GLY 337 Ca 0.42 3.35 -0.20 0.00 0.00 0.00 0.00 44.72 48.28 1upp s GLY 337 CO 0.29 2.82 0.59 -0.54 0.00 0.00 0.00 173.10 176.27 1upp s GLU 338 N 1.53 4.31 0.06 2.90 0.41 -1.26 -4.22 118.70 122.42 1upp s GLU 338 Ca -0.07 0.62 -0.11 0.00 -0.41 0.00 0.00 54.97 55.00 1upp s GLU 338 Cb -0.03 -3.50 -0.02 0.00 -1.78 0.00 0.00 34.13 28.79 1upp s GLU 338 CO -0.14 -0.03 0.81 -2.13 -0.49 0.00 0.00 175.26 173.27 1upp n ARG 339 N 4.29 -0.16 -0.19 1.61 0.63 -1.26 -1.06 116.66 120.52 1upp n ARG 339 Ca -0.03 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1upp n ARG 339 Cb 0.51 -1.18 0.25 0.00 0.45 0.00 0.00 32.46 32.48 1upp n ARG 339 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1upp h ASP 340 N 0.00 0.83 -0.22 6.15 3.32 -1.94 -0.47 116.42 124.08 1upp h ASP 340 Ca 0.06 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 1upp h ASP 340 Cb 0.14 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1upp h ASP 340 CO -0.33 0.63 -0.52 0.40 -1.72 0.00 0.00 179.24 177.69 1upp h ILE 341 N 0.96 1.28 0.19 0.35 2.04 -1.46 -2.21 117.51 118.66 1upp h ILE 341 Ca 0.25 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1upp h ILE 341 Cb -0.05 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1upp h ILE 341 CO -0.05 0.56 -0.09 0.74 0.00 0.00 0.00 178.15 179.31 1upp h THR 342 N 0.63 0.89 -0.60 -0.27 2.02 -0.76 -0.74 112.91 114.06 1upp h THR 342 Ca 0.02 -0.39 0.11 0.00 0.77 0.00 0.00 66.41 66.91 1upp h THR 342 Cb 1.11 1.13 -0.08 0.00 -1.74 0.00 0.00 68.15 68.57 1upp h THR 342 CO 0.11 0.09 0.17 -0.07 0.37 0.00 0.00 175.52 176.19 1upp h LEU 343 N -0.45 0.09 0.00 2.58 3.38 -1.09 -0.15 115.31 119.67 1upp h LEU 343 Ca -0.03 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1upp h LEU 343 Cb 0.35 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1upp h LEU 343 CO 0.04 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1upp n GLY 344 N -1.31 -1.72 0.22 0.83 0.00 -0.83 -1.62 105.19 100.76 1upp n GLY 344 Ca 0.09 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 -0.71 1.61 -5.15 -0.32 -2.01 116.94 110.36 1upp h PHE 345 Ca 0.00 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 57.83 1upp h PHE 345 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.11 1upp h PHE 345 CO 0.00 0.25 0.41 0.28 -2.00 0.00 0.00 178.31 177.24 1upp h VAL 346 N 0.00 0.98 -0.66 0.88 2.07 -0.68 -0.29 116.25 118.54 1upp h VAL 346 Ca -0.00 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1upp h VAL 346 Cb 0.53 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1upp h VAL 346 CO 0.03 0.14 0.38 0.44 0.02 0.00 0.00 177.57 178.57 1upp h ASP 347 N 0.74 0.57 -0.07 0.57 3.32 -0.57 -2.25 116.42 118.73 1upp h ASP 347 Ca 0.32 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.41 1upp h ASP 347 Cb 0.19 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1upp h ASP 347 CO -0.18 0.37 0.08 -0.07 -1.72 0.00 0.00 179.24 177.72 1upp h LEU 348 N 0.70 0.00 0.00 1.55 3.38 -0.93 -2.39 115.31 117.63 1upp h LEU 348 Ca 0.29 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.01 1upp h LEU 348 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1upp h LEU 348 CO -0.17 0.00 -1.70 0.18 0.09 0.00 0.00 178.44 176.84 1upp n LEU 349 N -3.92 0.73 -0.10 1.67 4.77 -0.22 -4.66 117.00 115.28 1upp n LEU 349 Ca -0.01 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1upp n LEU 349 Cb 0.17 0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1upp n LEU 349 CO 0.28 0.30 -1.13 0.54 -1.33 0.00 0.00 177.39 176.06 1upp n ARG 350 N -2.93 0.74 -2.92 3.23 1.74 -0.90 -0.39 116.66 115.23 1upp n ARG 350 Ca -0.16 0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 56.82 1upp n ARG 350 Cb 0.97 -1.41 0.02 0.00 -1.02 0.00 0.00 32.46 31.02 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 -5.71 5.56 0.09 0.55 1.01 -0.92 -4.27 116.67 112.98 1upp s ASP 351 Ca -0.22 -0.21 0.21 0.00 0.71 0.00 0.00 52.55 53.03 1upp s ASP 351 Cb 0.06 -0.84 -0.13 0.00 1.01 0.00 0.00 42.92 43.03 1upp s ASP 351 CO 0.52 -0.86 0.80 -0.67 0.21 0.00 0.00 175.17 175.16 1upp n ASP 352 N -2.02 0.60 -3.76 0.27 2.03 -1.26 -4.82 116.55 107.59 1upp n ASP 352 Ca 0.07 0.24 -0.15 0.00 0.52 0.00 0.00 54.79 55.47 1upp n ASP 352 Cb 0.59 0.77 -0.16 0.00 -0.72 0.00 0.00 41.12 41.61 1upp n ASP 352 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1upp s TYR 353 N -3.24 0.01 -0.06 -0.67 5.04 -1.26 -0.11 117.35 117.06 1upp s TYR 353 Ca -0.03 0.17 -0.02 0.00 -2.44 0.00 0.00 57.07 54.74 1upp s TYR 353 Cb 0.10 -0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.21 1upp s TYR 353 CO 0.83 -0.10 0.06 0.99 -1.34 0.00 0.00 175.55 175.98 1upp s THR 354 N 1.14 -0.07 0.30 4.34 2.01 -0.61 -4.98 115.64 117.78 1upp s THR 354 Ca -0.08 0.34 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 1upp s THR 354 Cb -0.13 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.06 1upp s THR 354 CO -0.03 0.13 1.00 -0.70 -0.69 0.00 0.00 174.62 174.33 1upp s GLU 355 N 2.15 4.62 0.15 4.92 2.12 -1.26 0.14 118.70 131.54 1upp s GLU 355 Ca 0.05 1.52 -0.25 0.00 0.36 0.00 0.00 54.97 56.65 1upp s GLU 355 Cb -0.12 -3.01 -0.15 0.00 0.26 0.00 0.00 34.13 31.11 1upp s GLU 355 CO -0.04 0.27 0.50 1.17 -0.54 0.00 0.00 175.26 176.62 1upp n LYS 356 N 0.91 0.00 -2.98 4.30 4.81 -1.26 -4.75 118.16 119.20 1upp n LYS 356 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1upp n LYS 356 Cb 0.48 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.63 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 -0.76 -1.18 0.51 3.14 -1.08 0.58 -4.92 116.67 112.96 1upp s ASP 357 Ca 0.57 -0.84 0.30 0.00 -0.52 0.00 0.00 52.55 52.05 1upp s ASP 357 Cb -0.83 1.52 1.27 0.00 -1.46 0.00 0.00 42.92 43.43 1upp s ASP 357 CO 0.48 -0.10 1.96 0.03 0.52 0.00 0.00 175.17 178.05 1upp h ARG 358 N 6.01 0.00 0.00 4.34 2.47 -1.93 0.24 114.38 125.51 1upp h ARG 358 Ca 0.03 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1upp h ARG 358 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1upp h ARG 358 CO 0.03 0.11 -0.15 0.66 0.56 0.00 0.00 179.97 181.18 1upp h SER 359 N 0.00 0.00 -0.42 7.04 4.64 -1.95 -1.78 113.55 121.07 1upp h SER 359 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1upp h SER 359 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1upp h SER 359 CO 0.01 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 176.66 1upp n ARG 360 N -4.13 3.42 -1.20 4.77 1.74 0.80 -4.83 116.66 117.23 1upp n ARG 360 Ca -0.02 -2.75 -0.07 0.00 -0.77 0.00 0.00 57.85 54.24 1upp n ARG 360 Cb 0.22 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 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 0.27 0.90 3.41 -0.13 0.00 -0.67 -4.48 105.19 104.48 1upp n GLY 361 Ca 0.22 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.18 4.73 -0.19 -0.61 1.01 -0.98 -4.92 121.20 118.05 1upp s ILE 362 Ca 0.00 -0.74 0.26 0.00 0.00 0.00 0.00 60.65 60.17 1upp s ILE 362 Cb 0.00 -4.48 0.32 0.00 0.01 0.00 0.00 42.46 38.31 1upp s ILE 362 CO 0.00 -1.11 1.73 1.88 0.00 0.00 0.00 174.94 177.44 1upp h TYR 363 N 9.21 0.00 -3.82 3.97 -1.99 -1.93 0.17 116.97 122.57 1upp h TYR 363 Ca -0.29 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.14 1upp h TYR 363 Cb 1.09 0.00 -0.29 0.00 2.00 0.00 0.00 36.73 39.53 1upp h TYR 363 CO 0.84 0.07 -0.75 -0.06 -0.00 0.00 0.00 178.16 178.27 1upp s PHE 364 N -3.37 0.34 0.33 4.88 0.08 -1.26 -4.88 117.98 114.10 1upp s PHE 364 Ca 0.04 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.74 1upp s PHE 364 Cb 0.07 -0.24 -0.11 0.00 -0.57 0.00 0.00 43.02 42.17 1upp s PHE 364 CO 0.63 -0.02 1.56 0.99 -0.10 0.00 0.00 175.22 178.29 1upp s THR 365 N 0.00 2.01 -0.09 0.64 2.01 -1.26 -4.03 115.64 114.93 1upp s THR 365 Ca 0.00 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 1upp s THR 365 Cb -0.03 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.50 1upp s THR 365 CO -0.00 0.00 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.30 1upp s GLN 366 N -1.17 1.19 0.03 4.92 2.00 0.12 -4.85 119.66 121.91 1upp s GLN 366 Ca 0.59 -0.13 0.01 0.00 -2.00 0.00 0.00 55.36 53.83 1upp s GLN 366 Cb -0.48 -1.34 -0.04 0.00 0.80 0.00 0.00 33.01 31.96 1upp s GLN 366 CO 0.55 -0.26 0.06 -1.12 -0.50 0.00 0.00 175.29 174.02 1upp s SER 367 N 1.70 5.50 0.00 6.67 0.01 -1.26 -1.57 113.70 124.75 1upp s SER 367 Ca 0.03 0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.40 1upp s SER 367 Cb -0.13 -1.51 0.10 0.00 0.21 0.00 0.00 66.02 64.69 1upp s SER 367 CO -0.06 0.24 0.88 0.79 0.41 0.00 0.00 173.24 175.49 1upp n TRP 368 N 0.95 0.11 -4.16 2.43 7.02 0.84 -4.75 117.44 119.87 1upp n TRP 368 Ca -0.12 -0.22 -0.36 0.00 -1.02 0.00 0.00 57.50 55.78 1upp n TRP 368 Cb 0.52 -0.02 -0.05 0.00 -2.42 0.00 0.00 31.31 29.35 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 0.20 -1.58 -1.18 -0.99 0.24 -1.26 -0.33 118.33 113.42 1upp n VAL 369 Ca 0.05 -0.51 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 1upp n VAL 369 Cb 0.23 -1.43 -0.04 0.00 -1.47 0.00 0.00 33.84 31.13 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 -2.40 -4.31 -4.52 -1.34 7.64 -1.26 -4.94 113.62 102.49 1upp n SER 370 Ca -0.23 0.24 -0.52 0.00 1.01 0.00 0.00 58.87 59.37 1upp n SER 370 Cb 0.61 -3.39 -0.05 0.00 -1.01 0.00 0.00 64.21 60.36 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 -1.84 0.71 -2.04 0.44 -1.04 0.55 -4.91 114.28 106.15 1upp n THR 371 Ca -0.10 -0.18 -0.38 0.00 -2.04 0.00 0.00 64.05 61.35 1upp n THR 371 Cb 0.46 -0.39 0.01 0.00 -1.82 0.00 0.00 70.33 68.59 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 -0.28 3.66 0.55 -2.82 0.02 -1.26 -4.91 135.00 129.95 1upp s PRO 372 Ca 0.79 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 63.75 1upp s PRO 372 Cb -1.02 -2.49 -0.05 0.00 0.02 0.00 0.00 34.50 30.96 1upp s PRO 372 CO 0.54 -0.72 0.95 0.20 -0.33 0.00 0.00 177.00 177.64 1upp s GLY 373 N -1.00 1.73 -0.10 0.52 0.00 -1.26 -4.60 107.32 102.60 1upp s GLY 373 Ca 0.63 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 45.22 1upp s GLY 373 CO 0.44 0.11 -0.07 0.14 0.00 0.00 0.00 173.10 173.71 1upp s VAL 374 N -2.91 3.61 -0.42 1.40 1.01 0.47 -2.72 120.40 120.84 1upp s VAL 374 Ca 0.54 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1upp s VAL 374 Cb -0.11 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1upp s VAL 374 CO 0.46 0.56 1.09 -0.22 0.00 0.00 0.00 175.10 176.99 1upp s LEU 375 N -0.32 3.77 0.47 3.92 2.96 -0.69 -4.17 118.68 124.62 1upp s LEU 375 Ca 0.04 0.63 -0.24 0.00 -0.22 0.00 0.00 54.13 54.35 1upp s LEU 375 Cb -0.13 -3.51 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 1upp s LEU 375 CO 0.02 -1.11 1.21 -0.81 -1.32 0.00 0.00 176.35 174.34 1upp n PRO 376 N 7.45 1.65 -3.92 0.98 -0.04 -1.26 -2.37 135.00 137.50 1upp n PRO 376 Ca 0.11 0.60 -0.29 0.00 -0.04 0.00 0.00 63.50 63.88 1upp n PRO 376 Cb 0.48 -2.34 -0.16 0.00 -0.04 0.00 0.00 33.50 31.44 1upp n PRO 376 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1upp s VAL 377 N -1.27 1.28 -0.22 0.52 1.01 0.97 -0.28 120.40 122.41 1upp s VAL 377 Ca 0.65 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1upp s VAL 377 Cb -0.48 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1upp s VAL 377 CO 0.55 0.08 0.64 0.00 0.00 0.00 0.00 175.10 176.37 1upp s ALA 378 N 1.55 3.57 -0.10 5.51 0.00 -0.65 0.80 121.76 132.45 1upp s ALA 378 Ca -0.01 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 51.45 1upp s ALA 378 Cb -0.16 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1upp s ALA 378 CO -0.08 -0.67 0.43 0.45 0.00 0.00 0.00 175.76 175.90 1upp s SER 379 N 1.31 -0.40 0.00 0.00 0.15 -1.26 -1.11 113.70 112.39 1upp s SER 379 Ca 0.28 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1upp s SER 379 Cb -0.16 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1upp s SER 379 CO 0.09 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1upp n GLY 380 N 2.09 2.22 2.72 9.45 0.00 -1.26 -4.63 105.19 115.79 1upp n GLY 380 Ca -0.17 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 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 0.07 -0.51 3.91 -0.02 0.00 -1.26 -1.63 105.19 105.75 1upp n GLY 381 Ca 0.00 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.10 5.10 0.32 -0.61 -4.36 -1.26 -4.23 121.20 113.06 1upp s ILE 382 Ca 0.16 -0.87 -0.08 0.00 -0.26 0.00 0.00 60.65 59.60 1upp s ILE 382 Cb -0.07 -3.66 0.01 0.00 1.25 0.00 0.00 42.46 39.99 1upp s ILE 382 CO 0.19 -0.16 0.54 -1.38 0.24 0.00 0.00 174.94 174.38 1upp s HIS 383 N -1.82 0.66 0.41 1.37 -3.43 -1.26 -4.24 115.29 106.98 1upp s HIS 383 Ca 0.34 -1.03 0.20 0.00 -0.80 0.00 0.00 55.06 53.77 1upp s HIS 383 Cb -0.10 0.19 1.15 0.00 -1.43 0.00 0.00 32.58 32.39 1upp s HIS 383 CO 0.27 -1.19 1.76 -0.39 -2.00 0.00 0.00 174.74 173.20 1upp h VAL 384 N 2.13 0.48 0.00 -5.38 -1.51 -1.91 0.91 116.25 110.96 1upp h VAL 384 Ca -0.28 -0.12 -0.03 0.00 -1.23 0.00 0.00 66.70 65.04 1upp h VAL 384 Cb 1.24 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1upp h VAL 384 CO 0.38 0.06 -0.14 -0.50 -1.23 0.00 0.00 177.57 176.14 1upp h TRP 385 N 0.35 0.00 0.00 5.19 4.06 -1.94 -1.20 115.95 122.41 1upp h TRP 385 Ca 0.61 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.56 1upp h TRP 385 Cb 1.62 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.78 1upp h TRP 385 CO -0.00 0.14 0.00 0.72 -3.56 0.00 0.00 178.44 175.74 1upp n HIS 386 N -4.17 0.00 -0.16 0.49 8.25 0.31 -4.26 115.22 115.69 1upp n HIS 386 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1upp n HIS 386 Cb 0.22 -0.39 0.03 0.00 1.12 0.00 0.00 29.99 30.97 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 -0.01 -0.41 -0.41 -1.53 -1.10 -1.49 114.93 109.98 1upp h MET 387 Ca 0.00 0.00 0.05 0.00 -3.44 0.00 0.00 59.70 56.31 1upp h MET 387 Cb 0.34 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.34 1upp h MET 387 CO 0.00 -0.01 0.13 -1.35 0.14 0.00 0.00 176.91 175.82 1upp h PRO 388 N -0.01 0.28 -0.50 0.39 0.11 -1.81 -1.20 132.00 129.26 1upp h PRO 388 Ca 0.24 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.22 1upp h PRO 388 Cb 0.37 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1upp h PRO 388 CO -0.51 0.18 -0.10 0.00 -0.21 0.00 0.00 178.00 177.36 1upp h ALA 389 N 1.27 0.69 -0.20 -0.75 0.00 -1.58 0.60 119.26 119.30 1upp h ALA 389 Ca 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1upp h ALA 389 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1upp h ALA 389 CO -0.21 0.60 0.12 -0.07 0.00 0.00 0.00 179.25 179.69 1upp h LEU 390 N 0.82 0.24 0.19 0.00 3.38 -1.06 0.18 115.31 119.05 1upp h LEU 390 Ca 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1upp h LEU 390 Cb 0.66 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1upp h LEU 390 CO 0.05 0.20 -0.11 0.74 0.09 0.00 0.00 178.44 179.41 1upp h THR 391 N 0.25 0.77 -0.74 0.22 2.02 -0.89 -0.93 112.91 113.61 1upp h THR 391 Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 1upp h THR 391 Cb 0.01 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1upp h THR 391 CO -0.01 0.00 0.48 -0.08 0.37 0.00 0.00 175.52 176.28 1upp h GLU 392 N -0.28 0.81 0.22 6.66 4.22 -0.79 0.15 114.58 125.56 1upp h GLU 392 Ca -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1upp h GLU 392 Cb 0.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1upp h GLU 392 CO 0.02 0.53 -0.11 0.82 -2.18 0.00 0.00 179.01 178.10 1upp h ILE 393 N 0.83 0.20 0.00 2.32 2.04 -0.41 -3.38 117.51 119.10 1upp h ILE 393 Ca 0.31 -0.88 -0.17 0.00 1.00 0.00 0.00 64.86 65.12 1upp h ILE 393 Cb 0.16 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1upp h ILE 393 CO -0.10 0.06 -1.22 -0.26 0.00 0.00 0.00 178.15 176.63 1upp h PHE 394 N -1.05 0.00 -0.45 1.37 0.04 -1.27 -3.49 116.94 112.09 1upp h PHE 394 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1upp h PHE 394 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1upp h PHE 394 CO 0.02 0.62 0.00 0.41 -0.60 0.00 0.00 178.31 178.77 1upp n GLY 395 N 1.37 -1.53 0.30 -1.45 0.00 0.51 -4.28 105.19 100.11 1upp n GLY 395 Ca -0.07 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 1.00 -0.19 1.61 5.19 -1.90 -3.32 116.42 118.82 1upp h ASP 396 Ca 0.00 -0.25 -0.59 0.00 -0.62 0.00 0.00 57.03 55.56 1upp h ASP 396 Cb 0.00 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.25 1upp h ASP 396 CO 0.00 1.00 2.16 0.47 -3.12 0.00 0.00 179.24 179.74 1upp n ASP 397 N -4.28 3.10 -3.63 6.45 8.00 -1.26 -3.12 116.55 121.81 1upp n ASP 397 Ca 0.04 -2.73 -0.11 0.00 0.71 0.00 0.00 54.79 52.70 1upp n ASP 397 Cb 0.27 -1.41 -0.05 0.00 -0.02 0.00 0.00 41.12 39.92 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 4.96 -0.25 -0.17 -2.24 1.04 -1.25 -4.08 113.70 111.72 1upp s SER 398 Ca 0.58 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.70 1upp s SER 398 Cb 0.10 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1upp s SER 398 CO 0.08 -0.84 -0.07 -0.69 0.98 0.00 0.00 173.24 172.71 1upp s VAL 399 N -3.69 3.48 -0.13 5.02 1.01 0.62 -1.51 120.40 125.20 1upp s VAL 399 Ca 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1upp s VAL 399 Cb 0.02 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1upp s VAL 399 CO -0.11 0.48 0.01 -0.76 0.00 0.00 0.00 175.10 174.72 1upp s LEU 400 N 0.67 3.60 -0.07 3.92 1.43 0.52 -1.63 118.68 127.12 1upp s LEU 400 Ca -0.04 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1upp s LEU 400 Cb -0.15 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1upp s LEU 400 CO 0.02 0.27 -0.11 -1.10 0.23 0.00 0.00 176.35 175.66 1upp s GLN 401 N -0.21 1.66 -0.43 1.70 -0.21 -0.27 0.14 119.66 122.05 1upp s GLN 401 Ca 0.06 -0.38 0.02 0.00 0.02 0.00 0.00 55.36 55.07 1upp s GLN 401 Cb -0.12 -1.43 0.14 0.00 1.00 0.00 0.00 33.01 32.59 1upp s GLN 401 CO 0.02 -0.02 0.24 -0.06 -2.12 0.00 0.00 175.29 173.34 1upp s PHE 402 N 0.84 1.74 0.00 0.91 0.40 0.17 -4.21 117.98 117.83 1upp s PHE 402 Ca -0.11 -2.28 0.00 0.00 -0.60 0.00 0.00 56.93 53.94 1upp s PHE 402 Cb -0.15 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.69 1upp s PHE 402 CO 0.02 -0.79 0.00 0.41 0.70 0.00 0.00 175.22 175.56 1upp n GLY 403 N 3.60 1.72 0.42 4.36 0.00 -1.26 -2.31 105.19 111.72 1upp n GLY 403 Ca 0.10 0.00 0.22 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 0.55 1.52 -0.02 0.00 -1.92 0.23 103.07 103.42 1upp h GLY 404 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1upp h GLY 404 CO 0.00 -0.00 0.23 -1.33 0.00 0.00 0.00 176.54 175.44 1upp h GLY 405 N 0.26 0.00 0.00 4.60 0.00 -1.74 0.38 103.07 106.57 1upp h GLY 405 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.54 1upp h GLY 405 CO -0.11 0.00 -1.73 2.41 0.00 0.00 0.00 176.54 177.11 1upp n THR 406 N -2.83 0.80 1.85 4.70 -1.04 0.61 -4.55 114.28 113.83 1upp n THR 406 Ca -0.02 -0.18 0.14 0.00 -2.04 0.00 0.00 64.05 61.95 1upp n THR 406 Cb 0.28 -1.71 0.76 0.00 -1.82 0.00 0.00 70.33 67.84 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 -3.65 0.42 -0.27 -4.42 4.32 -0.14 -2.75 117.00 110.50 1upp n LEU 407 Ca -0.27 -0.15 0.08 0.00 -0.02 0.00 0.00 56.01 55.66 1upp n LEU 407 Cb 0.68 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.44 1upp n LEU 407 CO 0.02 0.07 0.17 0.61 -1.22 0.00 0.00 177.39 177.05 1upp n GLY 408 N 1.01 -0.20 3.54 -0.72 0.00 0.13 -4.93 105.19 104.02 1upp n GLY 408 Ca 0.21 -0.50 -0.49 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.51 0.86 0.27 1.61 -0.00 -1.11 -4.90 115.22 111.44 1upp n HIS 409 Ca 0.06 0.78 0.13 0.00 -0.00 0.00 0.00 57.72 58.69 1upp n HIS 409 Cb 0.34 -2.19 0.75 0.00 -0.00 0.00 0.00 29.99 28.89 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 2.53 0.00 -0.03 1.57 0.13 -1.91 -2.79 132.00 131.50 1upp h PRO 410 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1upp h PRO 410 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1upp h PRO 410 CO 0.65 0.10 -0.03 0.91 -0.23 0.00 0.00 178.00 179.40 1upp n TRP 411 N -3.65 0.00 0.00 1.56 8.01 -1.26 -5.09 117.44 117.00 1upp n TRP 411 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 1upp n TRP 411 Cb 0.22 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.52 1upp n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1upp n GLY 412 N 1.24 -0.72 0.14 6.99 0.00 -1.06 -4.71 105.19 107.07 1upp n GLY 412 Ca 0.12 -2.23 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 0.38 -0.33 1.61 4.21 -1.87 -0.37 115.58 119.20 1upp h ASN 413 Ca 0.00 -0.36 -0.00 0.00 1.21 0.00 0.00 56.30 57.15 1upp h ASN 413 Cb 0.00 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 1upp h ASN 413 CO 0.00 0.65 0.20 0.00 -1.29 0.00 0.00 177.43 176.99 1upp h ALA 414 N 0.74 0.42 -0.56 -0.83 0.00 -1.86 0.17 119.26 117.34 1upp h ALA 414 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1upp h ALA 414 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1upp h ALA 414 CO 0.02 -0.07 0.04 -1.35 0.00 0.00 0.00 179.25 177.89 1upp h PRO 415 N 0.43 0.96 -0.34 0.00 0.11 -1.83 0.29 132.00 131.61 1upp h PRO 415 Ca 0.12 -0.28 0.07 0.00 0.11 0.00 0.00 66.00 66.02 1upp h PRO 415 Cb 0.01 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 30.95 1upp h PRO 415 CO -0.02 0.94 -0.13 0.78 -0.21 0.00 0.00 178.00 179.36 1upp h GLY 416 N 0.85 0.17 0.29 -0.55 0.00 -0.80 0.14 103.07 103.16 1upp h GLY 416 Ca 0.16 0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.74 1upp h GLY 416 CO 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 176.54 176.38 1upp h ALA 417 N 1.23 0.37 -0.40 3.60 0.00 -0.47 -2.42 119.26 121.17 1upp h ALA 417 Ca 0.17 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1upp h ALA 417 Cb 0.33 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1upp h ALA 417 CO -0.39 -0.40 0.16 0.28 0.00 0.00 0.00 179.25 178.89 1upp h VAL 418 N 0.09 0.91 -0.52 0.00 2.07 -0.21 -2.37 116.25 116.22 1upp h VAL 418 Ca 0.21 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1upp h VAL 418 Cb 0.30 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1upp h VAL 418 CO -0.36 0.06 0.34 0.00 0.02 0.00 0.00 177.57 177.63 1upp h ALA 419 N 1.24 1.77 -0.21 1.67 0.00 -0.46 0.88 119.26 124.15 1upp h ALA 419 Ca 0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1upp h ALA 419 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1upp h ALA 419 CO -0.17 0.16 -0.48 -0.91 0.00 0.00 0.00 179.25 177.86 1upp h ASN 420 N 0.57 0.79 0.18 0.00 -0.26 -1.05 -1.00 115.58 114.80 1upp h ASN 420 Ca 0.21 -0.56 -0.22 0.00 -0.56 0.00 0.00 56.30 55.17 1upp h ASN 420 Cb 0.13 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1upp h ASN 420 CO -0.06 1.20 -0.88 -0.09 -1.06 0.00 0.00 177.43 176.54 1upp h ARG 421 N 0.40 0.52 -0.24 0.81 9.65 -0.89 -2.01 114.38 122.63 1upp h ARG 421 Ca 0.00 -0.50 -0.08 0.00 -1.10 0.00 0.00 59.98 58.30 1upp h ARG 421 Cb 1.09 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.79 1upp h ARG 421 CO 0.10 1.14 -0.15 0.28 2.80 0.00 0.00 179.97 184.15 1upp h VAL 422 N 0.32 1.31 -0.72 0.20 2.07 -0.89 -0.90 116.25 117.63 1upp h VAL 422 Ca -0.07 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.26 1upp h VAL 422 Cb 1.51 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 1upp h VAL 422 CO 0.16 0.39 0.48 0.00 0.02 0.00 0.00 177.57 178.61 1upp h ALA 423 N 0.70 1.71 -0.03 1.67 0.00 -0.92 -1.13 119.26 121.26 1upp h ALA 423 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1upp h ALA 423 Cb 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1upp h ALA 423 CO 0.04 0.17 -0.20 1.25 0.00 0.00 0.00 179.25 180.51 1upp h LEU 424 N 0.75 0.23 -0.80 0.00 5.85 -1.30 -2.17 115.31 117.86 1upp h LEU 424 Ca 0.31 -0.68 -0.09 0.00 0.84 0.00 0.00 57.88 58.26 1upp h LEU 424 Cb 0.27 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1upp h LEU 424 CO -0.10 0.88 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.43 1upp h GLU 425 N -0.40 0.78 -0.87 1.25 5.08 -1.03 -1.00 114.58 118.41 1upp h GLU 425 Ca -0.02 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1upp h GLU 425 Cb 0.88 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 1upp h GLU 425 CO 0.04 0.86 0.55 0.00 -1.00 0.00 0.00 179.01 179.46 1upp h ALA 426 N 1.16 1.18 -0.27 3.43 0.00 -1.26 0.73 119.26 124.22 1upp h ALA 426 Ca 0.12 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1upp h ALA 426 Cb 0.59 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1upp h ALA 426 CO 0.04 0.32 -0.44 0.00 0.00 0.00 0.00 179.25 179.17 1upp h VAL 428 N 0.55 1.15 -0.12 0.00 2.07 -1.13 0.15 116.25 118.91 1upp h VAL 428 Ca 0.04 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1upp h VAL 428 Cb 0.98 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1upp h VAL 428 CO 0.09 0.14 -0.06 -0.61 0.02 0.00 0.00 177.57 177.15 1upp h GLN 429 N 0.78 0.26 0.46 1.57 4.15 -0.39 -0.56 115.11 121.38 1upp h GLN 429 Ca 0.21 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1upp h GLN 429 Cb -0.09 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1upp h GLN 429 CO -0.04 0.60 -0.23 0.00 -1.93 0.00 0.00 178.83 177.23 1upp h ALA 430 N 0.65 -0.63 -0.82 3.38 0.00 -0.95 -0.41 119.26 120.48 1upp h ALA 430 Ca 0.03 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.95 1upp h ALA 430 Cb 0.53 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.42 1upp h ALA 430 CO 0.02 -0.86 -0.28 -0.09 0.00 0.00 0.00 179.25 178.05 1upp h ARG 431 N -0.63 -0.04 0.00 0.00 2.43 -0.64 -2.50 114.38 113.01 1upp h ARG 431 Ca -0.06 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1upp h ARG 431 Cb 0.49 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1upp h ARG 431 CO 0.10 -0.02 -0.50 -0.91 -1.51 0.00 0.00 179.97 177.13 1upp h ASN 432 N -0.04 0.00 1.07 -3.80 -0.26 -0.55 -0.46 115.58 111.54 1upp h ASN 432 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 1upp h ASN 432 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1upp h ASN 432 CO -0.86 0.50 0.00 -0.33 -1.06 0.00 0.00 177.43 175.68 1upp h GLU 433 N 0.00 0.00 0.00 0.81 5.08 -0.66 -3.47 114.58 116.33 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 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1upp h GLU 433 CO 0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 1upp n GLY 434 N 0.38 1.42 3.91 -3.84 0.00 -0.18 -5.09 105.19 101.78 1upp n GLY 434 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.21 3.32 -0.34 1.61 0.52 -1.02 -5.03 118.95 117.82 1upp s ARG 435 Ca 0.00 0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 55.29 1upp s ARG 435 Cb 0.00 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 1upp s ARG 435 CO 0.00 -0.44 0.23 0.34 0.02 0.00 0.00 175.30 175.45 1upp s ASP 436 N -4.19 5.99 0.29 0.23 -1.08 -1.26 -4.44 116.67 112.20 1upp s ASP 436 Ca 0.51 -0.44 0.09 0.00 -0.52 0.00 0.00 52.55 52.19 1upp s ASP 436 Cb -0.10 -2.12 0.41 0.00 -1.46 0.00 0.00 42.92 39.65 1upp s ASP 436 CO 0.46 -0.23 1.65 -0.07 0.52 0.00 0.00 175.17 177.51 1upp h LEU 437 N 8.47 0.09 -0.11 -1.34 3.38 -1.93 0.80 115.31 124.68 1upp h LEU 437 Ca -0.31 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.37 1upp h LEU 437 Cb 1.16 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.89 1upp h LEU 437 CO 0.63 0.62 -1.00 0.00 0.09 0.00 0.00 178.44 178.78 1upp h ALA 438 N 1.38 0.29 0.06 1.53 0.00 -1.92 -2.36 119.26 118.24 1upp h ALA 438 Ca -0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 54.91 54.03 1upp h ALA 438 Cb 0.98 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1upp h ALA 438 CO 0.08 0.80 -0.63 0.00 0.00 0.00 0.00 179.25 179.50 1upp h ARG 439 N 0.25 0.32 -0.33 0.00 3.08 -1.96 -3.39 114.38 112.34 1upp h ARG 439 Ca -0.10 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1upp h ARG 439 Cb 1.64 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.83 1upp h ARG 439 CO 0.18 1.14 0.00 0.39 -1.07 0.00 0.00 179.97 180.60 1upp n GLU 440 N -4.23 2.93 0.13 0.04 1.02 0.28 -4.75 120.64 116.06 1upp n GLU 440 Ca -0.12 -2.34 -0.13 0.00 -0.02 0.00 0.00 57.16 54.55 1upp n GLU 440 Cb 0.71 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 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 2.04 -0.39 0.64 0.62 0.00 -1.57 -0.92 103.07 103.48 1upp h GLY 441 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.61 1upp h GLY 441 CO 0.08 -0.18 0.33 3.43 0.00 0.00 0.00 176.54 180.20 1upp h ASN 442 N -0.39 0.46 -0.87 0.19 4.21 -1.87 -1.16 115.58 116.15 1upp h ASN 442 Ca 0.01 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 1upp h ASN 442 Cb 0.38 -0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 37.49 1upp h ASN 442 CO -0.06 0.30 0.49 0.74 -1.29 0.00 0.00 177.43 177.61 1upp h THR 443 N 0.60 1.25 -0.30 2.81 2.02 -1.85 0.65 112.91 118.10 1upp h THR 443 Ca 0.29 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1upp h THR 443 Cb 0.22 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1upp h THR 443 CO -0.20 0.28 0.02 0.40 0.37 0.00 0.00 175.52 176.39 1upp h ILE 444 N 1.21 1.25 -0.26 3.11 2.04 0.02 0.31 117.51 125.19 1upp h ILE 444 Ca 0.31 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.34 1upp h ILE 444 Cb 0.01 1.25 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 1upp h ILE 444 CO -0.05 0.29 -0.39 0.40 0.00 0.00 0.00 178.15 178.39 1upp h ILE 445 N 0.31 0.17 -0.36 -0.67 1.08 -1.30 -2.46 117.51 114.28 1upp h ILE 445 Ca 0.09 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.61 1upp h ILE 445 Cb 0.40 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.27 1upp h ILE 445 CO 0.01 0.00 0.08 0.03 -0.69 0.00 0.00 178.15 177.58 1upp h ARG 446 N -0.39 0.20 -0.95 2.37 3.08 -0.65 -1.75 114.38 116.29 1upp h ARG 446 Ca 0.11 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.22 1upp h ARG 446 Cb 0.59 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1upp h ARG 446 CO -0.47 0.13 0.60 0.93 -1.07 0.00 0.00 179.97 180.09 1upp h GLU 447 N 0.20 1.06 0.00 0.04 5.08 -0.83 -1.79 114.58 118.34 1upp h GLU 447 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1upp h GLU 447 Cb 0.19 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1upp h GLU 447 CO -0.22 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 1upp h ALA 448 N 1.43 1.00 0.00 3.43 0.00 -0.85 -2.96 119.26 121.31 1upp h ALA 448 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1upp h ALA 448 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1upp h ALA 448 CO -0.17 0.00 -0.10 1.79 0.00 0.00 0.00 179.25 180.77 1upp h THR 449 N 0.00 0.24 -0.42 0.00 1.35 -0.77 -2.17 112.91 111.15 1upp h THR 449 Ca 0.00 -0.78 0.02 0.00 -0.55 0.00 0.00 66.41 65.10 1upp h THR 449 Cb 0.77 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1upp h THR 449 CO 0.00 0.09 0.28 0.11 -0.25 0.00 0.00 175.52 175.75 1upp h LYS 450 N 0.00 0.48 0.00 4.72 1.79 -1.57 -3.17 116.57 118.82 1upp h LYS 450 Ca -0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1upp h LYS 450 Cb 0.62 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1upp h LYS 450 CO 0.01 0.32 -0.43 -2.67 -1.08 0.00 0.00 179.45 175.60 1upp n TRP 451 N -4.48 0.00 -3.90 -1.35 4.27 -1.14 -4.89 117.44 105.95 1upp n TRP 451 Ca 0.04 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.31 1upp n TRP 451 Cb 0.12 -0.01 -0.13 0.00 -1.36 0.00 0.00 31.31 29.93 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 -1.82 4.96 0.40 -0.67 0.15 -0.83 -4.97 113.70 110.92 1upp s SER 452 Ca 0.03 -1.78 0.22 0.00 0.70 0.00 0.00 55.95 55.11 1upp s SER 452 Cb 0.06 -1.72 0.65 0.00 -1.71 0.00 0.00 66.02 63.30 1upp s SER 452 CO 0.34 -0.39 1.71 1.55 1.20 0.00 0.00 173.24 177.65 1upp h PRO 453 N 7.90 0.00 -0.17 5.44 0.13 -1.89 -0.81 132.00 142.61 1upp h PRO 453 Ca -0.14 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1upp h PRO 453 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1upp h PRO 453 CO 0.58 0.28 0.07 0.93 -0.23 0.00 0.00 178.00 179.63 1upp h GLU 454 N 0.00 0.15 -0.10 0.86 3.07 -1.93 -1.81 114.58 114.82 1upp h GLU 454 Ca -0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1upp h GLU 454 Cb 0.93 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1upp h GLU 454 CO 0.04 0.10 0.01 1.25 -1.40 0.00 0.00 179.01 179.01 1upp h LEU 455 N 0.15 0.16 -0.75 1.33 5.85 -1.60 -2.68 115.31 117.77 1upp h LEU 455 Ca 0.07 -0.27 0.17 0.00 0.84 0.00 0.00 57.88 58.69 1upp h LEU 455 Cb 0.03 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 40.90 1upp h LEU 455 CO -0.06 0.39 0.14 0.00 -0.34 0.00 0.00 178.44 178.57 1upp h ALA 456 N 0.77 0.94 -0.42 1.25 0.00 -1.13 0.48 119.26 121.16 1upp h ALA 456 Ca 0.03 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1upp h ALA 456 Cb 0.30 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1upp h ALA 456 CO 0.00 -0.38 0.09 0.00 0.00 0.00 0.00 179.25 178.97 1upp h ALA 457 N 1.65 0.55 -0.21 0.00 0.00 -1.04 -0.96 119.26 119.25 1upp h ALA 457 Ca 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1upp h ALA 457 Cb 0.76 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1upp h ALA 457 CO -0.56 0.24 0.10 0.00 0.00 0.00 0.00 179.25 179.03 1upp h ALA 458 N 0.95 0.27 -0.81 0.00 0.00 -1.04 -2.09 119.26 116.54 1upp h ALA 458 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1upp h ALA 458 Cb 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1upp h ALA 458 CO 0.00 -0.17 0.53 0.00 0.00 0.00 0.00 179.25 179.62 1upp h GLU 460 N 1.09 0.17 -0.90 0.00 5.08 -0.90 -2.42 114.58 116.70 1upp h GLU 460 Ca 0.30 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 1upp h GLU 460 Cb -0.12 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.01 1upp h GLU 460 CO -0.07 0.11 0.52 0.28 -1.00 0.00 0.00 179.01 178.85 1upp h VAL 461 N 0.17 0.86 -0.04 3.13 2.07 -1.15 -3.26 116.25 118.03 1upp h VAL 461 Ca 0.05 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1upp h VAL 461 Cb -0.02 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1upp h VAL 461 CO -0.01 0.15 -0.16 0.79 0.02 0.00 0.00 177.57 178.36 1upp n TRP 462 N -4.74 0.14 -0.13 1.57 8.01 -1.11 -4.78 117.44 116.40 1upp n TRP 462 Ca 0.17 -1.18 -0.04 0.00 -1.31 0.00 0.00 57.50 55.13 1upp n TRP 462 Cb 0.36 -0.21 0.02 0.00 -2.01 0.00 0.00 31.31 29.46 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 0.51 -0.03 -0.00 -0.99 3.64 -1.48 -2.85 116.57 115.37 1upp h LYS 463 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1upp h LYS 463 Cb 1.08 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1upp h LYS 463 CO 0.04 -0.02 -0.44 0.39 -2.27 0.00 0.00 179.45 177.15 1upp n GLU 464 N -5.33 0.14 -1.92 1.90 -0.58 -1.26 -4.92 120.64 108.66 1upp n GLU 464 Ca 0.03 -0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 56.26 1upp n GLU 464 Cb 0.24 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 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 -2.91 3.42 0.04 -3.67 -1.09 -1.08 -4.99 121.20 110.92 1upp s ILE 465 Ca 0.13 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1upp s ILE 465 Cb 0.18 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1upp s ILE 465 CO 0.66 -0.18 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.61 1upp s LYS 466 N 5.02 0.51 -0.37 2.79 1.02 -1.26 -5.05 119.74 122.41 1upp s LYS 466 Ca 0.81 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.90 1upp s LYS 466 Cb -0.30 0.01 0.11 0.00 -0.52 0.00 0.00 37.83 37.14 1upp s LYS 466 CO 0.33 -0.04 0.13 -0.06 -0.92 0.00 0.00 175.35 174.79 1upp s PHE 467 N -2.45 2.39 -0.19 3.18 0.08 -1.26 -5.08 117.98 114.64 1upp s PHE 467 Ca -0.04 -2.33 -0.02 0.00 0.12 0.00 0.00 56.93 54.66 1upp s PHE 467 Cb -0.03 -2.14 0.06 0.00 -0.57 0.00 0.00 43.02 40.34 1upp s PHE 467 CO -0.04 -0.86 0.01 -1.21 -0.10 0.00 0.00 175.22 173.02 1upp s GLU 468 N 0.97 0.94 0.14 0.44 2.02 -1.26 -4.82 118.70 117.12 1upp s GLU 468 Ca 0.13 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.60 1upp s GLU 468 Cb -0.20 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1upp s GLU 468 CO -0.12 -0.59 0.00 -0.06 0.02 0.00 0.00 175.26 174.51 1upp s PHE 469 N 1.74 0.99 0.18 1.61 0.08 -1.26 -5.13 117.98 116.20 1upp s PHE 469 Ca -0.01 -1.07 -0.32 0.00 0.12 0.00 0.00 56.93 55.64 1upp s PHE 469 Cb -0.17 -0.58 -0.12 0.00 -0.57 0.00 0.00 43.02 41.58 1upp s PHE 469 CO -0.07 -0.30 1.71 -2.30 -0.10 0.00 0.00 175.22 174.15 1upp n PRO 470 N -0.13 2.63 -2.27 0.24 -0.02 -1.26 -5.00 135.00 129.19 1upp n PRO 470 Ca -0.08 0.95 -0.25 0.00 -2.02 0.00 0.00 63.50 62.10 1upp n PRO 470 Cb 0.63 -2.78 0.06 0.00 -0.02 0.00 0.00 33.50 31.38 1upp n PRO 470 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upp s ALA 471 N 1.34 3.25 -0.21 3.55 0.00 -1.26 -5.04 121.76 123.38 1upp s ALA 471 Ca 0.77 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1upp s ALA 471 Cb -0.55 -2.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.89 1upp s ALA 471 CO 0.34 -1.19 -0.21 -1.33 0.00 0.00 0.00 175.76 173.38 1upp n MET 472 N -2.82 0.52 -3.43 0.00 2.81 -1.26 -4.87 117.12 108.06 1upp n MET 472 Ca 0.08 0.14 -0.44 0.00 -1.81 0.00 0.00 57.70 55.67 1upp n MET 472 Cb 0.60 -1.39 -0.08 0.00 -0.71 0.00 0.00 33.22 31.64 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 -6.28 6.03 0.22 7.83 2.15 -1.25 -4.22 116.67 121.14 1upp s ASP 473 Ca -0.29 -1.48 0.04 0.00 0.43 0.00 0.00 52.55 51.25 1upp s ASP 473 Cb 0.08 -2.14 -0.05 0.00 -0.30 0.00 0.00 42.92 40.52 1upp s ASP 473 CO 0.46 -0.67 -0.04 0.42 -0.17 0.00 0.00 175.17 175.18 1upp s THR 474 N 1.57 1.15 0.00 1.71 -4.23 -1.26 -4.70 115.64 109.88 1upp s THR 474 Ca 0.04 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1upp s THR 474 Cb -0.25 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1upp s THR 474 CO 0.05 -0.43 0.50 0.52 -0.54 0.00 0.00 174.62 174.72