#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upm n SER 10 N 0.00 -4.76 -4.84 0.00 3.41 -1.26 -5.05 113.62 101.13 1upm n SER 10 Ca 0.00 1.44 -0.28 0.00 -0.26 0.00 0.00 58.87 59.76 1upm n SER 10 Cb 0.00 -3.36 -0.05 0.00 -0.26 0.00 0.00 64.21 60.54 1upm n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1upm s VAL 11 N -0.30 4.80 0.53 -3.33 0.11 -1.26 -5.09 120.40 115.86 1upm s VAL 11 Ca -0.00 -0.79 -0.20 0.00 -2.93 0.00 0.00 61.98 58.06 1upm s VAL 11 Cb 0.00 -3.39 -0.09 0.00 -1.53 0.00 0.00 36.38 31.37 1upm s VAL 11 CO 0.00 0.01 0.72 1.21 -3.33 0.00 0.00 175.10 173.72 1upm n GLU 12 N -0.01 0.76 -2.26 1.54 0.00 -1.26 -4.92 120.64 114.50 1upm n GLU 12 Ca -0.08 0.29 -0.42 0.00 0.00 0.00 0.00 57.16 56.95 1upm n GLU 12 Cb 0.53 -1.85 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 1upm n GLU 12 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1upm s PHE 13 N -1.56 3.03 -0.30 4.31 5.36 -1.26 -5.02 117.98 122.55 1upm s PHE 13 Ca 0.69 0.94 0.03 0.00 -0.96 0.00 0.00 56.93 57.63 1upm s PHE 13 Cb -0.48 -3.62 0.08 0.00 -0.34 0.00 0.00 43.02 38.66 1upm s PHE 13 CO 0.53 -2.20 -0.02 0.21 -1.46 0.00 0.00 175.22 172.28 1upm s LYS 14 N 1.94 1.76 0.31 10.12 2.47 -1.26 -5.11 119.74 129.97 1upm s LYS 14 Ca 0.63 -1.54 -0.29 0.00 -1.56 0.00 0.00 55.97 53.21 1upm s LYS 14 Cb -0.32 -2.96 -0.10 0.00 -1.46 0.00 0.00 37.83 32.99 1upm s LYS 14 CO 0.27 -0.76 1.32 0.00 0.16 0.00 0.00 175.35 176.34 1upm s ALA 15 N 1.06 3.51 0.00 3.13 0.00 -1.26 -4.80 121.76 123.41 1upm s ALA 15 Ca 0.01 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1upm s ALA 15 Cb -0.19 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1upm s ALA 15 CO -0.07 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1upm n GLY 16 N 1.11 2.51 3.92 0.00 0.00 -1.26 -5.00 105.19 106.48 1upm n GLY 16 Ca 0.01 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1upm n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upm s VAL 17 N -1.68 5.30 0.22 1.61 -7.23 -1.26 -2.32 120.40 115.04 1upm s VAL 17 Ca 0.00 -0.39 -0.11 0.00 -1.81 0.00 0.00 61.98 59.67 1upm s VAL 17 Cb 0.00 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 1upm s VAL 17 CO 0.00 0.01 0.40 -1.59 -0.31 0.00 0.00 175.10 173.60 1upm s LYS 18 N -2.87 1.40 0.54 4.82 -2.85 -1.26 -5.01 119.74 114.50 1upm s LYS 18 Ca 0.37 -1.24 -0.21 0.00 -1.00 0.00 0.00 55.97 53.89 1upm s LYS 18 Cb -0.12 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 1upm s LYS 18 CO 0.28 -0.55 1.24 -0.51 0.10 0.00 0.00 175.35 175.91 1upm s ASP 19 N -3.01 5.51 0.33 0.03 1.01 -1.26 -4.93 116.67 114.35 1upm s ASP 19 Ca 0.22 2.49 0.04 0.00 0.71 0.00 0.00 52.55 56.01 1upm s ASP 19 Cb 0.01 -2.61 0.58 0.00 1.01 0.00 0.00 42.92 41.91 1upm s ASP 19 CO 0.06 -1.39 1.86 1.88 0.21 0.00 0.00 175.17 177.79 1upm h TYR 20 N 1.42 0.54 0.00 4.23 0.05 -1.93 -3.06 116.97 118.21 1upm h TYR 20 Ca -0.50 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.22 1upm h TYR 20 Cb 1.28 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.87 1upm h TYR 20 CO 0.48 0.55 0.00 1.57 -1.05 0.00 0.00 178.16 179.71 1upm h LYS 21 N 0.49 0.00 -0.30 4.88 2.10 -1.86 0.02 116.57 121.90 1upm h LYS 21 Ca 0.10 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.77 1upm h LYS 21 Cb 0.37 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.68 1upm h LYS 21 CO 0.01 0.00 0.20 -0.07 -2.00 0.00 0.00 179.45 177.60 1upm h LEU 22 N 0.00 0.28 0.00 7.07 3.38 -1.89 -3.15 115.31 121.01 1upm h LEU 22 Ca 0.00 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1upm h LEU 22 Cb 0.42 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1upm h LEU 22 CO 0.00 0.20 -1.71 0.41 0.09 0.00 0.00 178.44 177.43 1upm n THR 23 N -4.49 0.67 0.12 0.22 -1.04 -0.51 -4.83 114.28 104.42 1upm n THR 23 Ca 0.02 -0.43 0.02 0.00 -2.04 0.00 0.00 64.05 61.62 1upm n THR 23 Cb 0.13 -0.65 0.03 0.00 -1.82 0.00 0.00 70.33 68.01 1upm n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1upm n TYR 24 N -2.36 0.04 -3.99 -1.42 4.01 -0.12 -4.88 117.16 108.44 1upm n TYR 24 Ca -0.16 -0.11 -0.35 0.00 -0.16 0.00 0.00 57.90 57.12 1upm n TYR 24 Cb 0.81 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.70 1upm n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1upm s TYR 25 N -0.49 3.04 -0.43 -0.72 5.04 -1.19 -1.20 117.35 121.40 1upm s TYR 25 Ca 0.06 -0.51 0.08 0.00 -2.44 0.00 0.00 57.07 54.25 1upm s TYR 25 Cb 0.04 -2.12 0.27 0.00 0.35 0.00 0.00 41.96 40.50 1upm s TYR 25 CO 0.05 -0.30 0.78 2.41 -1.34 0.00 0.00 175.55 177.15 1upm n THR 26 N 4.45 -0.26 0.31 4.34 -1.04 0.45 -4.91 114.28 117.61 1upm n THR 26 Ca -0.17 -2.83 0.17 0.00 -2.04 0.00 0.00 64.05 59.18 1upm n THR 26 Cb 0.52 0.07 0.77 0.00 -1.82 0.00 0.00 70.33 69.87 1upm n THR 26 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1upm h PRO 27 N 3.67 0.00 -0.01 -2.82 0.13 -1.74 -2.31 132.00 128.92 1upm h PRO 27 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1upm h PRO 27 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1upm h PRO 27 CO 0.37 0.00 -0.12 0.39 -0.23 0.00 0.00 178.00 178.41 1upm n GLU 28 N -2.83 1.23 -2.15 0.86 -0.58 -1.26 -4.82 120.64 111.09 1upm n GLU 28 Ca -0.00 -0.69 -0.41 0.00 -0.42 0.00 0.00 57.16 55.63 1upm n GLU 28 Cb 0.20 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 1upm n GLU 28 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1upm s TYR 29 N -2.25 3.17 -0.14 -0.32 5.04 -0.87 -5.01 117.35 116.97 1upm s TYR 29 Ca 0.32 1.21 -0.12 0.00 -2.44 0.00 0.00 57.07 56.04 1upm s TYR 29 Cb 0.20 -3.67 -0.05 0.00 0.35 0.00 0.00 41.96 38.80 1upm s TYR 29 CO 0.43 -2.06 0.25 -1.21 -1.34 0.00 0.00 175.55 171.62 1upm s GLU 30 N -0.51 4.04 0.33 4.97 2.02 -1.26 -5.00 118.70 123.29 1upm s GLU 30 Ca 0.56 0.05 -0.27 0.00 0.02 0.00 0.00 54.97 55.32 1upm s GLU 30 Cb -0.38 -3.35 -0.09 0.00 0.10 0.00 0.00 34.13 30.40 1upm s GLU 30 CO 0.42 0.42 1.08 0.95 0.02 0.00 0.00 175.26 178.15 1upm s THR 31 N -0.06 3.57 0.42 3.63 -4.23 -1.26 -5.02 115.64 112.69 1upm s THR 31 Ca 0.16 1.42 -0.15 0.00 -1.18 0.00 0.00 61.69 61.94 1upm s THR 31 Cb -0.13 -3.84 -0.08 0.00 1.34 0.00 0.00 72.50 69.79 1upm s THR 31 CO 0.04 0.22 0.85 -0.76 -0.54 0.00 0.00 174.62 174.43 1upm s LEU 32 N -1.94 3.83 0.00 4.79 1.43 -1.26 -4.98 118.68 120.55 1upm s LEU 32 Ca 0.50 1.37 0.20 0.00 -1.03 0.00 0.00 54.13 55.17 1upm s LEU 32 Cb -0.28 -4.25 0.92 0.00 0.03 0.00 0.00 46.19 42.61 1upm s LEU 32 CO 0.36 -0.41 1.63 0.47 0.23 0.00 0.00 176.35 178.63 1upm n ASP 33 N -1.10 0.00 -0.47 2.29 8.00 -1.26 -1.90 116.55 122.10 1upm n ASP 33 Ca 0.05 0.28 0.12 0.00 0.71 0.00 0.00 54.79 55.95 1upm n ASP 33 Cb 0.54 -0.41 0.25 0.00 -0.02 0.00 0.00 41.12 41.48 1upm n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1upm n THR 34 N -1.41 0.00 -2.47 -3.53 -2.24 -1.26 -4.55 114.28 98.83 1upm n THR 34 Ca 0.07 -0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 61.23 1upm n THR 34 Cb 0.20 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1upm n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upm s ASP 35 N -2.32 6.75 -0.05 3.42 1.01 -0.80 -3.59 116.67 121.10 1upm s ASP 35 Ca 0.26 2.15 -0.24 0.00 0.71 0.00 0.00 52.55 55.43 1upm s ASP 35 Cb 0.19 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1upm s ASP 35 CO 0.47 -0.50 0.71 -0.63 0.21 0.00 0.00 175.17 175.43 1upm s ILE 36 N -1.53 5.00 -0.12 0.77 1.09 0.87 -4.26 121.20 123.01 1upm s ILE 36 Ca 0.56 1.47 -0.02 0.00 -1.10 0.00 0.00 60.65 61.56 1upm s ILE 36 Cb -0.26 -4.05 -0.03 0.00 -1.06 0.00 0.00 42.46 37.07 1upm s ILE 36 CO 0.32 0.27 -0.03 -0.76 -0.10 0.00 0.00 174.94 174.64 1upm s LEU 37 N 0.65 3.31 -0.13 2.97 1.43 -1.10 -0.13 118.68 125.68 1upm s LEU 37 Ca 0.38 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1upm s LEU 37 Cb -0.18 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1upm s LEU 37 CO 0.19 0.25 -0.15 0.00 0.23 0.00 0.00 176.35 176.87 1upm s ALA 38 N -0.14 2.53 -0.48 4.21 0.00 0.98 -0.35 121.76 128.50 1upm s ALA 38 Ca 0.03 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 1upm s ALA 38 Cb -0.13 -1.14 0.05 0.00 0.00 0.00 0.00 23.12 21.90 1upm s ALA 38 CO 0.02 0.23 0.59 0.00 0.00 0.00 0.00 175.76 176.60 1upm s ALA 39 N 0.39 3.40 -0.23 0.00 0.00 -0.89 -0.94 121.76 123.49 1upm s ALA 39 Ca -0.12 -1.66 -0.08 0.00 0.00 0.00 0.00 51.96 50.10 1upm s ALA 39 Cb -0.16 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1upm s ALA 39 CO 0.06 -1.90 0.09 -0.06 0.00 0.00 0.00 175.76 173.94 1upm s PHE 40 N 2.52 3.17 -0.58 0.00 0.08 -0.11 -1.31 117.98 121.76 1upm s PHE 40 Ca 0.15 -0.13 -0.28 0.00 0.12 0.00 0.00 56.93 56.79 1upm s PHE 40 Cb -0.19 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1upm s PHE 40 CO 0.13 -0.11 1.39 0.50 -0.10 0.00 0.00 175.22 177.02 1upm s ARG 41 N 1.12 3.31 -0.17 0.44 3.52 0.18 -0.52 118.95 126.83 1upm s ARG 41 Ca 0.05 0.38 -0.06 0.00 -0.13 0.00 0.00 55.73 55.97 1upm s ARG 41 Cb -0.14 -4.12 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 1upm s ARG 41 CO 0.04 -1.94 0.04 0.08 -0.81 0.00 0.00 175.30 172.71 1upm s VAL 42 N 5.96 4.62 -0.40 7.11 1.01 0.13 -1.54 120.40 137.30 1upm s VAL 42 Ca 0.50 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1upm s VAL 42 Cb -0.10 -3.06 0.11 0.00 0.00 0.00 0.00 36.38 33.33 1upm s VAL 42 CO 0.24 0.48 0.13 -0.44 0.00 0.00 0.00 175.10 175.51 1upm s SER 43 N 0.22 4.65 0.74 3.32 0.01 -0.60 -1.55 113.70 120.48 1upm s SER 43 Ca 0.03 -2.44 -0.12 0.00 1.31 0.00 0.00 55.95 54.73 1upm s SER 43 Cb -0.13 -1.64 0.04 0.00 0.21 0.00 0.00 66.02 64.50 1upm s SER 43 CO 0.01 -0.34 1.11 -2.84 0.41 0.00 0.00 173.24 171.59 1upm s PRO 44 N 0.51 2.38 0.64 12.44 0.02 -1.26 -0.19 135.00 149.55 1upm s PRO 44 Ca 0.13 1.32 -0.15 0.00 0.02 0.00 0.00 61.00 62.32 1upm s PRO 44 Cb -0.21 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 1upm s PRO 44 CO -0.05 -1.57 1.09 -0.65 -0.33 0.00 0.00 177.00 175.49 1upm s GLN 45 N -4.51 2.95 0.16 5.54 -1.52 -0.66 -4.42 119.66 117.20 1upm s GLN 45 Ca 0.65 1.31 -0.34 0.00 -1.95 0.00 0.00 55.36 55.03 1upm s GLN 45 Cb -0.20 -1.98 -0.14 0.00 -0.22 0.00 0.00 33.01 30.48 1upm s GLN 45 CO 0.50 -1.12 1.53 -2.30 -0.25 0.00 0.00 175.29 173.65 1upm n PRO 46 N -2.36 2.01 -0.42 2.91 -0.02 -1.26 -1.69 135.00 134.18 1upm n PRO 46 Ca 0.10 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1upm n PRO 46 Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1upm n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upm n GLY 47 N 3.15 0.78 3.40 -1.23 0.00 -1.26 -5.02 105.19 105.01 1upm n GLY 47 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1upm n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upm s VAL 48 N -2.87 4.59 0.55 1.61 1.01 -0.68 -5.08 120.40 119.53 1upm s VAL 48 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 1upm s VAL 48 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1upm s VAL 48 CO 0.00 -0.13 1.28 -2.16 0.00 0.00 0.00 175.10 174.09 1upm s PRO 49 N 1.57 3.14 0.42 2.72 0.04 -1.26 -4.77 135.00 136.87 1upm s PRO 49 Ca 0.03 2.04 0.13 0.00 0.04 0.00 0.00 61.00 63.24 1upm s PRO 49 Cb -0.18 -2.16 0.99 0.00 0.04 0.00 0.00 34.50 33.18 1upm s PRO 49 CO 0.07 -1.13 1.97 -1.00 0.04 0.00 0.00 177.00 176.94 1upm h PRO 50 N 1.33 0.45 -0.65 0.56 0.13 -1.98 -1.73 132.00 130.11 1upm h PRO 50 Ca -0.51 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 1upm h PRO 50 Cb 1.29 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1upm h PRO 50 CO 0.57 0.30 0.21 0.93 -0.23 0.00 0.00 178.00 179.78 1upm h GLU 51 N 0.47 1.01 -0.06 0.86 3.07 -1.99 0.62 114.58 118.56 1upm h GLU 51 Ca 0.30 -0.21 -0.18 0.00 -0.50 0.00 0.00 59.36 58.77 1upm h GLU 51 Cb 0.54 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1upm h GLU 51 CO -0.09 0.88 -0.73 1.49 -1.40 0.00 0.00 179.01 179.16 1upm h GLU 52 N 0.94 0.30 -0.26 2.33 4.57 -1.74 -1.68 114.58 119.05 1upm h GLU 52 Ca 0.21 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1upm h GLU 52 Cb 0.28 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1upm h GLU 52 CO -0.01 0.90 0.03 0.00 -1.18 0.00 0.00 179.01 178.76 1upm h ALA 53 N 1.02 0.34 -0.59 2.92 0.00 -1.03 0.09 119.26 122.01 1upm h ALA 53 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1upm h ALA 53 Cb 1.29 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1upm h ALA 53 CO 0.12 0.04 0.35 0.78 0.00 0.00 0.00 179.25 180.53 1upm h GLY 54 N 0.24 0.87 0.99 0.00 0.00 -0.88 -1.59 103.07 102.70 1upm h GLY 54 Ca 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1upm h GLY 54 CO 0.01 0.36 0.15 0.00 0.00 0.00 0.00 176.54 177.05 1upm h ALA 55 N 1.17 0.72 -0.08 3.60 0.00 -1.18 -1.79 119.26 121.69 1upm h ALA 55 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1upm h ALA 55 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1upm h ALA 55 CO -0.04 0.40 0.05 0.00 0.00 0.00 0.00 179.25 179.67 1upm h ALA 56 N 1.02 0.11 -0.36 0.00 0.00 -0.71 0.17 119.26 119.49 1upm h ALA 56 Ca 0.17 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1upm h ALA 56 Cb 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1upm h ALA 56 CO -0.00 -0.40 0.19 0.28 0.00 0.00 0.00 179.25 179.33 1upm h VAL 57 N 0.10 1.01 -0.65 0.00 2.07 -1.13 -2.12 116.25 115.54 1upm h VAL 57 Ca 0.03 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1upm h VAL 57 Cb 0.00 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1upm h VAL 57 CO -0.01 0.07 0.25 0.00 0.02 0.00 0.00 177.57 177.90 1upm h ALA 58 N 1.17 0.85 -0.50 1.67 0.00 -1.16 -2.19 119.26 119.10 1upm h ALA 58 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1upm h ALA 58 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1upm h ALA 58 CO -0.08 0.48 0.28 0.00 0.00 0.00 0.00 179.25 179.93 1upm h ALA 59 N 1.10 0.64 -0.00 0.00 0.00 -0.50 -3.19 119.26 117.31 1upm h ALA 59 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1upm h ALA 59 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1upm h ALA 59 CO -0.02 0.16 -0.47 -1.91 0.00 0.00 0.00 179.25 177.01 1upm n GLU 60 N -4.66 0.30 -0.79 0.00 4.07 -0.81 0.14 120.64 118.88 1upm n GLU 60 Ca 0.02 -0.18 0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1upm n GLU 60 Cb 0.08 -1.50 0.39 0.00 -0.06 0.00 0.00 31.44 30.35 1upm n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1upm n SER 61 N -1.19 5.36 0.00 4.31 3.41 -0.83 -4.72 113.62 119.95 1upm n SER 61 Ca 0.07 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 1upm n SER 61 Cb 0.34 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1upm n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1upm n SER 62 N 0.80 0.00 0.00 4.04 3.41 -0.95 -4.51 113.62 116.41 1upm n SER 62 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1upm n SER 62 Cb 1.08 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 1upm n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1upm n THR 63 N -2.11 0.00 -3.92 6.66 -2.24 -0.65 -4.94 114.28 107.08 1upm n THR 63 Ca 0.00 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.47 1upm n THR 63 Cb 0.00 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1upm n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1upm s GLY 64 N -0.22 1.89 0.00 3.38 0.00 0.12 -5.03 107.32 107.45 1upm s GLY 64 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1upm s GLY 64 CO 0.00 -0.94 0.00 -0.37 0.00 0.00 0.00 173.10 171.79 1upm n THR 65 N -0.26 0.00 0.36 0.90 5.66 -1.26 -4.23 114.28 115.45 1upm n THR 65 Ca -0.06 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.06 1upm n THR 65 Cb 0.53 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.49 1upm n THR 65 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 1upm h TRP 66 N 0.27 0.00 -3.51 1.09 5.08 -2.00 -3.46 115.95 113.43 1upm h TRP 66 Ca 0.00 0.00 -0.38 0.00 1.08 0.00 0.00 58.89 59.59 1upm h TRP 66 Cb 0.00 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.02 1upm h TRP 66 CO 0.00 0.00 -0.62 -0.08 -1.28 0.00 0.00 178.44 176.46 1upm s THR 67 N -3.21 0.76 -0.01 0.12 -1.32 -1.26 -4.66 115.64 106.06 1upm s THR 67 Ca 0.06 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.25 1upm s THR 67 Cb 0.09 -2.62 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 1upm s THR 67 CO 0.69 -0.06 0.91 -0.89 -2.21 0.00 0.00 174.62 173.06 1upm s THR 68 N -3.61 4.89 -0.10 5.08 2.01 -0.98 -5.00 115.64 117.93 1upm s THR 68 Ca 0.36 1.91 0.00 0.00 0.31 0.00 0.00 61.69 64.27 1upm s THR 68 Cb 0.08 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1upm s THR 68 CO 0.13 0.19 -0.09 0.68 -0.69 0.00 0.00 174.62 174.84 1upm s VAL 69 N 0.88 3.47 0.45 3.82 -7.23 -1.26 -4.53 120.40 116.00 1upm s VAL 69 Ca 0.48 -0.54 0.15 0.00 -1.81 0.00 0.00 61.98 60.26 1upm s VAL 69 Cb -0.20 -2.44 0.19 0.00 0.56 0.00 0.00 36.38 34.48 1upm s VAL 69 CO 0.26 0.56 2.00 4.11 -0.31 0.00 0.00 175.10 181.71 1upm h TRP 70 N 5.92 0.00 0.00 2.82 5.08 -1.96 -2.94 115.95 124.87 1upm h TRP 70 Ca -0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.58 1upm h TRP 70 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1upm h TRP 70 CO 0.53 0.18 0.00 0.25 -1.28 0.00 0.00 178.44 178.12 1upm n THR 71 N -4.30 1.62 -0.05 0.12 -2.24 -1.26 -2.51 114.28 105.65 1upm n THR 71 Ca -0.02 0.47 0.08 0.00 -2.27 0.00 0.00 64.05 62.31 1upm n THR 71 Cb 0.24 -1.42 0.46 0.00 -2.10 0.00 0.00 70.33 67.51 1upm n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1upm h ASP 72 N 0.00 0.43 0.50 3.42 3.32 -1.89 -2.30 116.42 119.89 1upm h ASP 72 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1upm h ASP 72 Cb 0.07 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1upm h ASP 72 CO 0.00 0.28 0.00 0.61 -1.72 0.00 0.00 179.24 178.41 1upm n GLY 73 N -1.50 -1.08 0.18 2.75 0.00 -1.05 -2.33 105.19 102.18 1upm n GLY 73 Ca 0.07 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1upm n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upm h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.63 -3.47 115.31 114.57 1upm h LEU 74 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1upm h LEU 74 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1upm h LEU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.94 1upm n THR 75 N -2.89 0.00 -3.66 0.22 -1.04 -0.98 -5.10 114.28 100.83 1upm n THR 75 Ca 0.04 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.67 1upm n THR 75 Cb 0.51 -0.04 -0.08 0.00 -1.82 0.00 0.00 70.33 68.90 1upm n THR 75 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1upm s ASN 76 N -0.98 5.47 0.33 8.00 3.84 -1.26 -4.96 114.94 125.38 1upm s ASN 76 Ca 0.00 -2.85 0.02 0.00 0.21 0.00 0.00 52.86 50.25 1upm s ASN 76 Cb 0.00 -1.91 0.61 0.00 -0.55 0.00 0.00 41.25 39.40 1upm s ASN 76 CO 0.00 -0.40 1.96 0.25 -2.79 0.00 0.00 177.10 176.13 1upm h LEU 77 N 7.13 0.79 -1.43 3.21 5.85 -2.00 -2.05 115.31 126.81 1upm h LEU 77 Ca 0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1upm h LEU 77 Cb 0.96 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1upm h LEU 77 CO 0.72 0.54 -0.26 0.44 -0.34 0.00 0.00 178.44 179.53 1upm h ASP 78 N 0.91 0.00 1.69 1.25 3.32 -1.95 0.79 116.42 122.43 1upm h ASP 78 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1upm h ASP 78 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1upm h ASP 78 CO -0.09 0.26 -0.12 0.08 -1.72 0.00 0.00 179.24 177.65 1upm h ARG 79 N 0.00 0.00 0.00 3.56 0.11 -1.80 -3.38 114.38 112.87 1upm h ARG 79 Ca -0.00 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.81 1upm h ARG 79 Cb 0.58 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.61 1upm h ARG 79 CO 0.03 0.00 -2.07 0.66 0.10 0.00 0.00 179.97 178.69 1upm n TYR 80 N -2.75 0.00 -1.64 4.08 4.01 -0.70 -4.85 117.16 115.31 1upm n TYR 80 Ca 0.04 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.34 1upm n TYR 80 Cb 0.50 -0.75 -0.01 0.00 -0.31 0.00 0.00 39.34 38.76 1upm n TYR 80 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1upm n LYS 81 N -2.55 1.70 -1.94 -0.72 2.85 0.19 -4.60 118.16 113.09 1upm n LYS 81 Ca -0.24 0.60 -0.31 0.00 -1.05 0.00 0.00 58.31 57.30 1upm n LYS 81 Cb 0.97 -2.06 0.01 0.00 -0.65 0.00 0.00 35.03 33.30 1upm n LYS 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1upm s GLY 82 N -0.44 1.78 -0.14 2.58 0.00 -1.26 -4.63 107.32 105.20 1upm s GLY 82 Ca 0.57 0.03 -0.09 0.00 0.00 0.00 0.00 44.72 45.23 1upm s GLY 82 CO 0.61 0.31 0.35 1.09 0.00 0.00 0.00 173.10 175.46 1upm s ARG 83 N -4.85 0.36 -0.31 2.90 1.70 -0.30 -4.64 118.95 113.80 1upm s ARG 83 Ca 0.57 0.63 -0.28 0.00 -0.47 0.00 0.00 55.73 56.17 1upm s ARG 83 Cb -0.12 0.03 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 1upm s ARG 83 CO 0.48 -0.12 1.03 0.00 -1.08 0.00 0.00 175.30 175.61 1upm n TYR 85 N 6.74 0.00 -3.67 0.00 4.11 -0.73 -0.41 117.16 123.19 1upm n TYR 85 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.88 1upm n TYR 85 Cb 0.47 -0.01 -0.08 0.00 -0.00 0.00 0.00 39.34 39.72 1upm n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1upm s HIS 86 N -1.54 -0.68 -0.10 -3.48 5.04 -1.25 -4.28 115.29 109.01 1upm s HIS 86 Ca 0.01 1.62 0.00 0.00 -1.54 0.00 0.00 55.06 55.16 1upm s HIS 86 Cb 0.03 0.25 0.02 0.00 0.04 0.00 0.00 32.58 32.93 1upm s HIS 86 CO 0.19 -0.33 -0.09 0.42 -2.34 0.00 0.00 174.74 172.59 1upm s ILE 87 N 0.44 1.09 -0.10 0.89 1.01 -1.26 -1.31 121.20 121.96 1upm s ILE 87 Ca -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.30 1upm s ILE 87 Cb -0.04 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.36 1upm s ILE 87 CO -0.01 0.37 -0.18 -0.70 0.00 0.00 0.00 174.94 174.42 1upm s GLU 88 N 1.40 2.41 0.38 2.79 2.12 -0.09 -5.00 118.70 122.72 1upm s GLU 88 Ca -0.00 -0.65 -0.25 0.00 0.36 0.00 0.00 54.97 54.43 1upm s GLU 88 Cb -0.13 -1.94 -0.09 0.00 0.26 0.00 0.00 34.13 32.23 1upm s GLU 88 CO -0.05 0.04 1.08 -1.25 -0.54 0.00 0.00 175.26 174.53 1upm s PRO 89 N 0.70 4.23 -0.15 4.30 0.04 -1.26 0.15 135.00 143.00 1upm s PRO 89 Ca -0.12 1.62 -0.20 0.00 0.04 0.00 0.00 61.00 62.34 1upm s PRO 89 Cb -0.16 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1upm s PRO 89 CO 0.03 -0.11 0.57 0.08 0.04 0.00 0.00 177.00 177.61 1upm s VAL 90 N -1.53 5.09 0.05 -0.36 1.01 -0.32 -4.79 120.40 119.56 1upm s VAL 90 Ca 0.55 1.11 -0.31 0.00 0.00 0.00 0.00 61.98 63.34 1upm s VAL 90 Cb -0.25 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 1upm s VAL 90 CO 0.32 0.21 1.50 0.00 0.00 0.00 0.00 175.10 177.13 1upm s ALA 91 N 1.28 3.63 0.00 5.51 0.00 -1.26 -2.35 121.76 128.57 1upm s ALA 91 Ca 0.28 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1upm s ALA 91 Cb -0.16 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1upm s ALA 91 CO 0.11 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1upm n GLY 92 N 3.75 0.75 2.95 0.00 0.00 -1.26 -5.04 105.19 106.34 1upm n GLY 92 Ca 0.14 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1upm n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upm s GLU 93 N -0.63 1.31 -0.06 1.61 0.41 -0.99 -5.11 118.70 115.24 1upm s GLU 93 Ca 0.00 -0.26 -0.30 0.00 -0.41 0.00 0.00 54.97 54.00 1upm s GLU 93 Cb 0.00 -1.20 -0.03 0.00 -1.78 0.00 0.00 34.13 31.11 1upm s GLU 93 CO 0.00 -0.07 1.27 -1.83 -0.49 0.00 0.00 175.26 174.14 1upm s GLU 94 N 0.95 4.31 -1.42 1.61 1.03 -1.26 -4.27 118.70 119.65 1upm s GLU 94 Ca -0.10 1.74 -0.09 0.00 0.03 0.00 0.00 54.97 56.56 1upm s GLU 94 Cb -0.15 -3.61 0.04 0.00 -0.80 0.00 0.00 34.13 29.61 1upm s GLU 94 CO 0.00 -0.53 1.01 -1.71 -1.33 0.00 0.00 175.26 172.71 1upm n ASN 95 N 5.55 -4.58 -3.86 0.83 5.15 -1.26 -4.98 115.26 112.10 1upm n ASN 95 Ca 0.12 -0.69 -0.19 0.00 -0.60 0.00 0.00 54.58 53.22 1upm n ASN 95 Cb 0.45 -4.40 -0.16 0.00 -0.53 0.00 0.00 39.78 35.14 1upm n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1upm s GLN 96 N -6.32 0.62 0.05 1.20 0.74 -1.26 -4.00 119.66 110.69 1upm s GLN 96 Ca 0.49 -0.04 0.05 0.00 0.05 0.00 0.00 55.36 55.91 1upm s GLN 96 Cb -0.23 -0.70 -0.02 0.00 1.10 0.00 0.00 33.01 33.16 1upm s GLN 96 CO 0.79 -0.10 -0.14 0.71 -0.55 0.00 0.00 175.29 176.00 1upm s TYR 97 N 0.94 1.19 -0.43 1.67 1.51 -0.60 -1.18 117.35 120.46 1upm s TYR 97 Ca -0.11 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.32 1upm s TYR 97 Cb -0.14 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1upm s TYR 97 CO -0.01 0.04 0.84 0.42 -1.11 0.00 0.00 175.55 175.74 1upm s ILE 98 N -1.01 4.60 -0.20 2.71 -1.09 0.12 0.20 121.20 126.53 1upm s ILE 98 Ca -0.00 0.69 -0.07 0.00 -2.23 0.00 0.00 60.65 59.04 1upm s ILE 98 Cb -0.09 -4.34 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1upm s ILE 98 CO 0.02 -0.68 0.06 0.00 -1.23 0.00 0.00 174.94 173.11 1upm s TYR 100 N 0.65 3.44 -0.03 0.00 1.51 -0.43 -0.94 117.35 121.56 1upm s TYR 100 Ca 0.03 0.57 0.04 0.00 -1.01 0.00 0.00 57.07 56.70 1upm s TYR 100 Cb -0.13 -2.36 -0.00 0.00 -0.11 0.00 0.00 41.96 39.36 1upm s TYR 100 CO 0.02 0.20 -0.14 0.08 -1.11 0.00 0.00 175.55 174.59 1upm s VAL 101 N 0.61 1.15 -0.09 0.71 1.01 -0.12 -1.78 120.40 121.90 1upm s VAL 101 Ca 0.16 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1upm s VAL 101 Cb -0.13 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1upm s VAL 101 CO 0.04 0.34 -0.15 0.00 0.00 0.00 0.00 175.10 175.33 1upm s ALA 102 N -0.06 2.59 -0.11 5.51 0.00 -0.23 -0.01 121.76 129.45 1upm s ALA 102 Ca -0.00 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1upm s ALA 102 Cb -0.09 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1upm s ALA 102 CO 0.01 0.40 -0.20 0.71 0.00 0.00 0.00 175.76 176.68 1upm s TYR 103 N -0.19 2.32 0.54 0.00 2.02 0.82 -1.15 117.35 121.70 1upm s TYR 103 Ca -0.00 -1.04 -0.22 0.00 -0.37 0.00 0.00 57.07 55.44 1upm s TYR 103 Cb -0.13 -1.59 -0.05 0.00 -0.40 0.00 0.00 41.96 39.78 1upm s TYR 103 CO 0.03 -0.47 1.32 -2.30 -1.57 0.00 0.00 175.55 172.56 1upm n PRO 104 N 3.87 1.65 -0.29 -1.71 -0.02 -1.26 -0.09 135.00 137.14 1upm n PRO 104 Ca -0.20 0.60 0.21 0.00 -2.02 0.00 0.00 63.50 62.10 1upm n PRO 104 Cb 0.52 -2.52 0.51 0.00 -0.02 0.00 0.00 33.50 31.99 1upm n PRO 104 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1upm h LEU 105 N 1.41 0.44 0.00 2.45 5.85 -1.93 -2.36 115.31 121.17 1upm h LEU 105 Ca -0.50 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1upm h LEU 105 Cb 1.31 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1upm h LEU 105 CO 0.57 0.13 0.00 0.47 -0.34 0.00 0.00 178.44 179.26 1upm n ASP 106 N -4.57 0.00 0.23 1.25 9.92 -1.26 -2.88 116.55 119.24 1upm n ASP 106 Ca 0.23 0.40 0.12 0.00 -0.53 0.00 0.00 54.79 55.02 1upm n ASP 106 Cb 0.80 -0.46 0.34 0.00 -0.64 0.00 0.00 41.12 41.16 1upm n ASP 106 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1upm h LEU 107 N 0.00 0.00 -9.38 0.64 3.38 -1.79 -3.47 115.31 104.69 1upm h LEU 107 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1upm h LEU 107 Cb 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.92 1upm h LEU 107 CO 0.00 0.07 -0.62 -0.36 0.09 0.00 0.00 178.44 177.62 1upm s PHE 108 N -3.37 3.14 -0.07 1.13 0.08 -1.14 -5.06 117.98 112.69 1upm s PHE 108 Ca 0.04 0.14 -0.28 0.00 0.12 0.00 0.00 56.93 56.94 1upm s PHE 108 Cb 0.07 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1upm s PHE 108 CO 0.64 0.48 0.94 -2.00 -0.10 0.00 0.00 175.22 175.18 1upm s GLU 109 N -1.40 4.46 0.30 0.44 2.12 -1.26 -5.01 118.70 118.35 1upm s GLU 109 Ca 0.18 1.30 -0.29 0.00 0.36 0.00 0.00 54.97 56.52 1upm s GLU 109 Cb -0.12 -3.50 -0.13 0.00 0.26 0.00 0.00 34.13 30.64 1upm s GLU 109 CO 0.09 -0.17 1.30 0.39 -0.54 0.00 0.00 175.26 176.32 1upm n GLU 110 N 4.48 2.01 -0.89 4.30 4.71 -1.26 -2.84 120.64 131.15 1upm n GLU 110 Ca 0.06 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.92 1upm n GLU 110 Cb 0.50 -2.29 0.00 0.00 -1.01 0.00 0.00 31.44 28.64 1upm n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1upm n GLY 111 N 1.31 0.41 3.09 0.62 0.00 -1.21 -4.98 105.19 104.42 1upm n GLY 111 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1upm n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upm s SER 112 N -2.27 5.16 0.27 1.61 0.15 -1.13 -4.93 113.70 112.56 1upm s SER 112 Ca 0.00 -2.61 -0.00 0.00 0.70 0.00 0.00 55.95 54.04 1upm s SER 112 Cb 0.00 -1.83 0.54 0.00 -1.71 0.00 0.00 66.02 63.02 1upm s SER 112 CO 0.00 -0.41 1.78 0.58 1.20 0.00 0.00 173.24 176.39 1upm h VAL 113 N 5.65 0.78 -0.75 4.45 2.07 -1.94 -2.35 116.25 124.15 1upm h VAL 113 Ca -0.06 -0.24 0.17 0.00 0.82 0.00 0.00 66.70 67.39 1upm h VAL 113 Cb 0.98 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 1upm h VAL 113 CO 0.70 0.13 -0.05 0.74 0.02 0.00 0.00 177.57 179.12 1upm h THR 114 N 0.71 0.31 -0.20 2.57 2.02 -1.92 -0.59 112.91 115.82 1upm h THR 114 Ca 0.47 -0.02 -0.15 0.00 0.77 0.00 0.00 66.41 67.47 1upm h THR 114 Cb 0.62 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1upm h THR 114 CO -0.33 0.01 -0.51 -1.13 0.37 0.00 0.00 175.52 173.93 1upm h ASN 115 N 0.07 0.63 0.03 4.18 -0.73 -1.78 -1.40 115.58 116.58 1upm h ASN 115 Ca 0.40 -0.32 -0.00 0.00 1.87 0.00 0.00 56.30 58.25 1upm h ASN 115 Cb 0.69 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.10 1upm h ASN 115 CO -0.69 1.03 -0.01 -0.03 -0.37 0.00 0.00 177.43 177.35 1upm h MET 116 N 0.45 -0.04 -0.84 6.67 4.05 -1.07 -2.40 114.93 121.76 1upm h MET 116 Ca 0.02 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 1upm h MET 116 Cb 1.05 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.80 1upm h MET 116 CO 0.10 0.26 0.55 0.74 0.23 0.00 0.00 176.91 178.78 1upm h PHE 117 N -0.33 0.89 -0.65 1.39 0.04 -1.20 -2.10 116.94 114.98 1upm h PHE 117 Ca -0.00 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1upm h PHE 117 Cb 0.31 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1upm h PHE 117 CO 0.02 0.43 0.15 1.15 -0.60 0.00 0.00 178.31 179.47 1upm h THR 118 N 0.84 1.26 0.44 -1.55 2.02 -0.78 -0.22 112.91 114.92 1upm h THR 118 Ca 0.38 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1upm h THR 118 Cb 0.36 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1upm h THR 118 CO -0.15 0.36 -0.21 0.28 0.37 0.00 0.00 175.52 176.17 1upm h SER 119 N 0.97 -0.50 1.20 4.18 0.02 -1.29 -2.72 113.55 115.41 1upm h SER 119 Ca 0.20 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1upm h SER 119 Cb 0.37 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1upm h SER 119 CO 0.00 -0.13 -0.40 0.40 -1.14 0.00 0.00 176.83 175.56 1upm h ILE 120 N -0.91 0.79 0.00 3.27 2.04 -1.05 -3.27 117.51 118.39 1upm h ILE 120 Ca -0.06 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1upm h ILE 120 Cb 0.57 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1upm h ILE 120 CO 0.10 0.40 -0.10 0.52 0.00 0.00 0.00 178.15 179.06 1upm n VAL 121 N -3.34 0.71 0.15 1.67 0.31 -0.12 -4.87 118.33 112.84 1upm n VAL 121 Ca 0.01 -0.80 -0.06 0.00 -0.01 0.00 0.00 64.34 63.48 1upm n VAL 121 Cb 0.61 0.48 -0.03 0.00 -0.91 0.00 0.00 33.84 33.98 1upm n VAL 121 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1upm h GLY 122 N 0.00 -0.43 0.00 2.92 0.00 -1.46 -3.43 103.07 100.67 1upm h GLY 122 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1upm h GLY 122 CO 0.00 -0.16 -0.99 0.70 0.00 0.00 0.00 176.54 176.10 1upm n ASN 123 N -3.62 4.93 0.28 0.19 3.02 -1.26 -4.85 115.26 113.96 1upm n ASN 123 Ca -0.05 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.64 1upm n ASN 123 Cb 0.16 0.60 0.84 0.00 -0.61 0.00 0.00 39.78 40.77 1upm n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1upm h VAL 124 N 0.00 0.59 0.00 2.41 -1.51 -1.84 -2.79 116.25 113.10 1upm h VAL 124 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1upm h VAL 124 Cb 0.78 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1upm h VAL 124 CO 0.00 0.04 0.00 0.49 -1.23 0.00 0.00 177.57 176.87 1upm n PHE 125 N -3.84 0.00 0.12 5.19 3.01 -1.26 -2.95 117.46 117.72 1upm n PHE 125 Ca -0.03 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.48 1upm n PHE 125 Cb 0.13 -0.39 0.09 0.00 -0.01 0.00 0.00 39.48 39.30 1upm n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1upm n GLY 126 N -0.53 1.20 3.68 1.37 0.00 -1.05 -4.85 105.19 105.01 1upm n GLY 126 Ca 0.03 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 1upm n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1upm n PHE 127 N 0.47 2.29 -0.12 1.61 3.72 -1.15 -4.88 117.46 119.39 1upm n PHE 127 Ca 0.08 0.37 -0.01 0.00 -0.05 0.00 0.00 57.45 57.84 1upm n PHE 127 Cb 0.33 -2.50 0.25 0.00 -0.94 0.00 0.00 39.48 36.62 1upm n PHE 127 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1upm h LYS 128 N 4.70 0.79 0.00 -1.08 1.57 -1.95 -2.50 116.57 118.09 1upm h LYS 128 Ca -0.45 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1upm h LYS 128 Cb 1.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1upm h LYS 128 CO 0.79 0.64 0.00 0.00 -0.57 0.00 0.00 179.45 180.32 1upm n ALA 129 N -2.46 1.80 -2.50 3.86 0.00 -1.26 -4.68 120.51 115.27 1upm n ALA 129 Ca 0.05 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1upm n ALA 129 Cb 0.16 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 1upm n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1upm s LEU 130 N -2.50 2.77 -0.05 0.00 1.43 -0.94 -1.65 118.68 117.74 1upm s LEU 130 Ca 0.13 -0.40 0.13 0.00 -1.03 0.00 0.00 54.13 52.96 1upm s LEU 130 Cb 0.09 -1.61 -0.23 0.00 0.03 0.00 0.00 46.19 44.47 1upm s LEU 130 CO 0.19 0.23 0.64 0.54 0.23 0.00 0.00 176.35 178.18 1upm n ARG 131 N 1.29 0.63 -3.54 1.70 1.74 0.74 -4.75 116.66 114.48 1upm n ARG 131 Ca -0.16 0.27 -0.13 0.00 -0.77 0.00 0.00 57.85 57.07 1upm n ARG 131 Cb 0.52 -1.78 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 1upm n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1upm s ALA 132 N -2.61 -1.84 -0.16 7.54 0.00 -1.06 -5.03 121.76 118.59 1upm s ALA 132 Ca -0.05 1.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.19 1upm s ALA 132 Cb 0.08 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 23.02 1upm s ALA 132 CO 0.82 -0.40 0.38 -1.17 0.00 0.00 0.00 175.76 175.40 1upm s LEU 133 N -1.39 -0.06 -0.07 0.00 2.96 -1.20 -1.56 118.68 117.36 1upm s LEU 133 Ca -0.04 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1upm s LEU 133 Cb -0.00 1.24 0.01 0.00 0.50 0.00 0.00 46.19 47.94 1upm s LEU 133 CO 0.03 -0.19 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.13 1upm s ARG 134 N 1.48 1.79 -0.29 1.98 3.52 -0.59 -1.10 118.95 125.76 1upm s ARG 134 Ca -0.09 -0.44 -0.24 0.00 -0.13 0.00 0.00 55.73 54.83 1upm s ARG 134 Cb -0.09 -1.47 0.00 0.00 -1.56 0.00 0.00 34.95 31.83 1upm s ARG 134 CO -0.12 0.03 0.83 -1.17 -0.81 0.00 0.00 175.30 174.06 1upm s LEU 135 N 0.65 4.07 -0.13 -0.88 2.96 -0.10 -0.65 118.68 124.61 1upm s LEU 135 Ca -0.15 0.81 0.04 0.00 -0.22 0.00 0.00 54.13 54.62 1upm s LEU 135 Cb -0.16 -3.16 -0.24 0.00 0.50 0.00 0.00 46.19 43.14 1upm s LEU 135 CO 0.04 -0.61 0.34 -0.62 -1.32 0.00 0.00 176.35 174.17 1upm n GLU 136 N 6.22 0.69 -3.45 1.98 -0.58 -0.43 -1.03 120.64 124.04 1upm n GLU 136 Ca 0.05 0.22 -0.11 0.00 -0.42 0.00 0.00 57.16 56.90 1upm n GLU 136 Cb 0.48 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.64 1upm n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1upm s ASP 137 N -6.43 -0.50 -0.01 1.62 -1.08 -1.23 -4.57 116.67 104.46 1upm s ASP 137 Ca -0.17 0.03 0.01 0.00 -0.52 0.00 0.00 52.55 51.90 1upm s ASP 137 Cb 0.07 0.52 0.00 0.00 -1.46 0.00 0.00 42.92 42.06 1upm s ASP 137 CO 0.77 -0.84 -0.04 -0.76 0.52 0.00 0.00 175.17 174.82 1upm s LEU 138 N -2.60 1.90 -0.43 -1.34 1.43 -1.26 -2.10 118.68 114.29 1upm s LEU 138 Ca 0.02 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 1upm s LEU 138 Cb -0.01 -0.25 0.03 0.00 0.03 0.00 0.00 46.19 45.99 1upm s LEU 138 CO -0.11 0.04 0.35 -0.60 0.23 0.00 0.00 176.35 176.26 1upm s ARG 139 N 0.04 3.00 -0.29 1.70 3.00 0.53 -4.93 118.95 122.00 1upm s ARG 139 Ca 0.00 -1.04 -0.15 0.00 -1.00 0.00 0.00 55.73 53.54 1upm s ARG 139 Cb -0.04 -4.01 -0.03 0.00 0.00 0.00 0.00 34.95 30.87 1upm s ARG 139 CO -0.00 -0.83 0.39 0.42 0.00 0.00 0.00 175.30 175.28 1upm s ILE 140 N 1.77 5.15 0.46 4.11 1.01 -1.26 -2.70 121.20 129.74 1upm s ILE 140 Ca 0.06 0.49 -0.22 0.00 0.00 0.00 0.00 60.65 60.98 1upm s ILE 140 Cb -0.20 -3.75 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 1upm s ILE 140 CO 0.10 0.08 1.11 -2.16 0.00 0.00 0.00 174.94 174.08 1upm s PRO 141 N 2.11 3.82 0.51 2.79 0.04 -1.26 -4.65 135.00 138.35 1upm s PRO 141 Ca 0.15 1.64 0.21 0.00 0.04 0.00 0.00 61.00 63.04 1upm s PRO 141 Cb -0.16 -2.35 1.33 0.00 0.04 0.00 0.00 34.50 33.36 1upm s PRO 141 CO 0.10 -0.47 2.09 -0.39 0.04 0.00 0.00 177.00 178.38 1upm h VAL 142 N 1.83 0.85 0.00 -0.36 -1.51 -1.84 -1.11 116.25 114.10 1upm h VAL 142 Ca -0.49 -0.37 -0.06 0.00 -1.23 0.00 0.00 66.70 64.55 1upm h VAL 142 Cb 1.24 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1upm h VAL 142 CO 0.60 0.10 -0.30 0.00 -1.23 0.00 0.00 177.57 176.74 1upm h ALA 143 N 1.90 1.04 0.20 5.19 0.00 -1.91 -2.58 119.26 123.10 1upm h ALA 143 Ca -0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 1upm h ALA 143 Cb 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1upm h ALA 143 CO 0.01 0.37 -1.61 -0.92 0.00 0.00 0.00 179.25 177.10 1upm h TYR 144 N 0.00 0.77 -0.69 0.00 3.20 -1.60 -3.35 116.97 115.30 1upm h TYR 144 Ca -0.00 -0.56 0.15 0.00 3.14 0.00 0.00 58.73 61.45 1upm h TYR 144 Cb 0.79 -0.03 -0.11 0.00 1.54 0.00 0.00 36.73 38.92 1upm h TYR 144 CO 0.00 1.58 0.11 0.28 -1.64 0.00 0.00 178.16 178.49 1upm h VAL 145 N 0.11 0.51 0.00 1.81 2.07 -1.13 -1.07 116.25 118.56 1upm h VAL 145 Ca -0.29 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1upm h VAL 145 Cb 2.11 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1upm h VAL 145 CO 0.21 0.04 0.00 0.11 0.02 0.00 0.00 177.57 177.95 1upm h LYS 146 N 0.21 0.00 0.00 1.57 1.79 -1.59 -2.33 116.57 116.22 1upm h LYS 146 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1upm h LYS 146 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1upm h LYS 146 CO -0.51 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.11 1upm n THR 147 N -2.61 0.00 -4.34 -0.16 -2.24 -0.41 -4.88 114.28 99.64 1upm n THR 147 Ca -0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1upm n THR 147 Cb 0.15 -0.34 -0.12 0.00 -2.10 0.00 0.00 70.33 67.93 1upm n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1upm s PHE 148 N -2.00 1.96 0.13 4.78 0.08 -0.88 -3.34 117.98 118.71 1upm s PHE 148 Ca 0.13 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 1upm s PHE 148 Cb 0.06 -1.01 -0.11 0.00 -0.57 0.00 0.00 43.02 41.39 1upm s PHE 148 CO 0.10 0.33 1.29 0.37 -0.10 0.00 0.00 175.22 177.21 1upm h GLN 149 N 3.53 0.31 0.00 0.44 4.15 -1.87 -3.51 115.11 118.16 1upm h GLN 149 Ca -0.45 -0.37 0.00 0.00 0.77 0.00 0.00 58.65 58.60 1upm h GLN 149 Cb 1.20 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1upm h GLN 149 CO 0.46 1.08 0.00 0.41 -1.93 0.00 0.00 178.83 178.85 1upm n GLY 150 N 1.06 -0.54 3.55 2.39 0.00 -0.86 -4.84 105.19 105.95 1upm n GLY 150 Ca -0.06 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 1upm n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1upm n PRO 151 N -0.43 0.90 -0.27 1.61 -0.02 -1.25 -4.38 135.00 131.16 1upm n PRO 151 Ca 0.00 0.33 -0.05 0.00 -2.02 0.00 0.00 63.50 61.76 1upm n PRO 151 Cb 0.00 -1.92 0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1upm n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1upm h PRO 152 N 0.79 1.04 0.00 0.52 0.11 -1.84 -3.42 132.00 129.20 1upm h PRO 152 Ca -0.45 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1upm h PRO 152 Cb 1.37 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1upm h PRO 152 CO 0.52 0.76 0.00 0.72 -0.21 0.00 0.00 178.00 179.79 1upm n HIS 153 N -4.47 -0.29 0.00 0.65 8.25 -1.26 -4.69 115.22 113.40 1upm n HIS 153 Ca 0.07 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1upm n HIS 153 Cb 0.08 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1upm n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1upm n GLY 154 N 3.18 0.49 0.21 -1.41 0.00 -1.26 -4.53 105.19 101.88 1upm n GLY 154 Ca 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 1upm n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1upm h ILE 155 N 0.00 0.69 0.05 -0.61 2.04 -1.67 -1.78 117.51 116.23 1upm h ILE 155 Ca 0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1upm h ILE 155 Cb 0.00 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1upm h ILE 155 CO 0.00 0.05 -0.03 -0.61 0.00 0.00 0.00 178.15 177.56 1upm h GLN 156 N 0.26 -0.07 -0.72 2.37 4.15 -1.89 -2.28 115.11 116.93 1upm h GLN 156 Ca 0.28 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.66 1upm h GLN 156 Cb 0.39 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1upm h GLN 156 CO -0.36 0.07 0.25 0.28 -1.93 0.00 0.00 178.83 177.15 1upm h VAL 157 N -0.19 1.25 0.04 2.39 2.07 -1.76 -2.08 116.25 117.97 1upm h VAL 157 Ca -0.01 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1upm h VAL 157 Cb 0.17 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1upm h VAL 157 CO 0.01 0.33 -0.10 -0.08 0.02 0.00 0.00 177.57 177.75 1upm h GLU 158 N 1.06 -0.19 -0.46 1.57 4.81 -1.28 0.30 114.58 120.39 1upm h GLU 158 Ca 0.24 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1upm h GLU 158 Cb 0.25 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1upm h GLU 158 CO -0.01 -0.13 0.31 0.00 -0.73 0.00 0.00 179.01 178.44 1upm h ARG 159 N -0.20 0.55 -0.21 1.92 3.08 -1.20 -2.03 114.38 116.29 1upm h ARG 159 Ca 0.03 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1upm h ARG 159 Cb 0.22 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1upm h ARG 159 CO -0.07 0.36 -0.42 -0.44 -1.07 0.00 0.00 179.97 178.33 1upm h ASP 160 N 0.57 0.74 -0.97 7.04 3.32 -0.84 -0.39 116.42 125.88 1upm h ASP 160 Ca 0.18 -0.55 0.03 0.00 0.02 0.00 0.00 57.03 56.71 1upm h ASP 160 Cb 0.02 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 1upm h ASP 160 CO -0.04 1.15 0.64 0.11 -1.72 0.00 0.00 179.24 179.38 1upm h LYS 161 N 0.36 1.22 -0.00 3.56 1.79 -0.17 -3.11 116.57 120.21 1upm h LYS 161 Ca 0.01 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1upm h LYS 161 Cb 1.02 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1upm h LYS 161 CO 0.09 0.81 -0.71 1.28 -1.08 0.00 0.00 179.45 179.84 1upm n LEU 162 N -4.43 0.99 -3.12 2.94 4.77 -0.79 -4.95 117.00 112.42 1upm n LEU 162 Ca 0.13 -0.36 -0.20 0.00 -0.03 0.00 0.00 56.01 55.54 1upm n LEU 162 Cb 0.08 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1upm n LEU 162 CO 0.35 0.22 0.21 -3.20 -1.33 0.00 0.00 177.39 173.64 1upm n ASN 163 N -1.22 -5.62 -4.05 -1.43 4.05 -0.21 -4.63 115.26 102.15 1upm n ASN 163 Ca 0.06 -0.46 -0.31 0.00 0.45 0.00 0.00 54.58 54.32 1upm n ASN 163 Cb 0.35 -4.34 -0.16 0.00 1.23 0.00 0.00 39.78 36.86 1upm n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1upm s LYS 164 N -6.09 2.46 -0.01 1.20 1.02 -0.88 -5.03 119.74 112.42 1upm s LYS 164 Ca 0.48 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.79 1upm s LYS 164 Cb -0.21 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1upm s LYS 164 CO 0.62 -0.25 0.05 0.71 -0.92 0.00 0.00 175.35 175.56 1upm s TYR 165 N 1.42 -0.01 0.00 3.18 2.02 -1.26 -4.71 117.35 118.00 1upm s TYR 165 Ca 0.04 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1upm s TYR 165 Cb -0.13 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.41 1upm s TYR 165 CO -0.11 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 1upm n GLY 166 N 2.72 0.91 3.53 0.71 0.00 -1.26 -5.04 105.19 106.75 1upm n GLY 166 Ca -0.15 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1upm n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1upm s ARG 167 N -0.82 0.79 0.53 1.61 1.70 -1.26 -5.03 118.95 116.46 1upm s ARG 167 Ca 0.00 -0.09 -0.20 0.00 -0.47 0.00 0.00 55.73 54.96 1upm s ARG 167 Cb 0.00 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 1upm s ARG 167 CO 0.00 -0.30 0.82 -2.30 -1.08 0.00 0.00 175.30 172.43 1upm n PRO 168 N 0.21 0.89 -2.65 3.89 -0.02 -1.08 -4.78 135.00 131.46 1upm n PRO 168 Ca -0.11 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1upm n PRO 168 Cb 0.60 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 1upm n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upm s LEU 169 N -0.50 3.70 -0.16 2.45 1.43 -0.16 -4.94 118.68 120.50 1upm s LEU 169 Ca 0.69 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1upm s LEU 169 Cb -0.48 -4.09 0.01 0.00 0.03 0.00 0.00 46.19 41.66 1upm s LEU 169 CO 0.53 -0.51 -0.18 -0.76 0.23 0.00 0.00 176.35 175.66 1upm s LEU 170 N -4.20 2.32 0.00 1.79 1.43 -1.26 -0.18 118.68 118.57 1upm s LEU 170 Ca 0.52 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1upm s LEU 170 Cb -0.10 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1upm s LEU 170 CO 0.37 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.61 1upm n GLY 171 N 4.24 5.09 3.16 -3.19 0.00 -0.51 -0.82 105.19 113.16 1upm n GLY 171 Ca -0.20 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 43.86 1upm n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upm s THR 173 N 2.41 4.63 0.27 0.00 2.01 -1.26 -4.38 115.64 119.31 1upm s THR 173 Ca -0.04 1.94 -0.30 0.00 0.31 0.00 0.00 61.69 63.60 1upm s THR 173 Cb -0.03 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 1upm s THR 173 CO -0.12 0.18 1.42 -0.63 -0.69 0.00 0.00 174.62 174.78 1upm s ILE 174 N 0.81 2.62 -0.02 1.82 -1.09 -1.26 -4.40 121.20 119.67 1upm s ILE 174 Ca 0.52 0.55 0.06 0.00 -2.23 0.00 0.00 60.65 59.55 1upm s ILE 174 Cb -0.23 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1upm s ILE 174 CO 0.29 0.10 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.35 1upm s LYS 175 N -0.75 1.77 0.31 2.79 -0.14 -1.26 -4.48 119.74 117.99 1upm s LYS 175 Ca 0.57 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 54.16 1upm s LYS 175 Cb -0.42 -1.66 -0.10 0.00 -1.68 0.00 0.00 37.83 33.97 1upm s LYS 175 CO 0.46 0.41 1.18 -2.14 -0.76 0.00 0.00 175.35 174.51 1upm s PRO 176 N -0.38 4.48 0.16 -1.68 0.01 -1.26 -4.99 135.00 131.35 1upm s PRO 176 Ca 0.05 1.96 -0.19 0.00 0.01 0.00 0.00 61.00 62.83 1upm s PRO 176 Cb -0.09 -3.10 0.08 0.00 0.01 0.00 0.00 34.50 31.41 1upm s PRO 176 CO 0.00 0.02 1.65 0.87 0.01 0.00 0.00 177.00 179.55 1upm h LYS 177 N 3.55 -0.10 -5.78 5.54 1.57 -2.00 -3.43 116.57 115.92 1upm h LYS 177 Ca -0.48 0.01 -0.49 0.00 -1.87 0.00 0.00 60.65 57.82 1upm h LYS 177 Cb 1.22 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 33.39 1upm h LYS 177 CO 0.66 -0.07 -0.76 -0.51 -0.57 0.00 0.00 179.45 178.20 1upm s LEU 178 N -10.60 2.49 0.00 2.94 1.43 -1.26 -4.64 118.68 109.03 1upm s LEU 178 Ca -0.14 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1upm s LEU 178 Cb 0.14 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.59 1upm s LEU 178 CO 0.70 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.80 1upm n GLY 179 N 0.02 1.14 3.85 -3.19 0.00 -1.26 -5.09 105.19 100.66 1upm n GLY 179 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1upm n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upm s LEU 180 N 0.00 3.84 0.66 0.99 1.43 -1.26 -5.01 118.68 119.33 1upm s LEU 180 Ca 0.00 1.35 -0.09 0.00 -1.03 0.00 0.00 54.13 54.36 1upm s LEU 180 Cb 0.00 -4.22 0.02 0.00 0.03 0.00 0.00 46.19 42.02 1upm s LEU 180 CO 0.00 -0.40 1.01 -0.94 0.23 0.00 0.00 176.35 176.25 1upm s SER 181 N -2.81 5.41 0.19 2.29 1.04 -1.26 -4.49 113.70 114.07 1upm s SER 181 Ca 0.55 0.88 -0.12 0.00 0.48 0.00 0.00 55.95 57.74 1upm s SER 181 Cb -0.10 -1.73 0.21 0.00 0.10 0.00 0.00 66.02 64.49 1upm s SER 181 CO 0.26 -1.27 1.71 0.00 0.98 0.00 0.00 173.24 174.91 1upm h ALA 182 N -0.47 0.57 -0.01 5.32 0.00 -1.92 0.23 119.26 122.97 1upm h ALA 182 Ca -0.45 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1upm h ALA 182 Cb 1.26 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1upm h ALA 182 CO 0.62 -0.33 -0.66 -0.22 0.00 0.00 0.00 179.25 178.67 1upm h LYS 183 N 0.21 0.06 -0.07 0.00 3.64 -1.94 -2.79 116.57 115.67 1upm h LYS 183 Ca 0.26 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.40 1upm h LYS 183 Cb 0.37 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1upm h LYS 183 CO -0.36 0.69 -0.79 -0.91 -2.27 0.00 0.00 179.45 175.81 1upm h ASN 184 N 0.04 0.57 -0.23 4.20 -0.26 -1.78 -1.96 115.58 116.16 1upm h ASN 184 Ca -0.01 -0.39 0.06 0.00 -0.56 0.00 0.00 56.30 55.39 1upm h ASN 184 Cb 1.16 -0.17 -0.06 0.00 -1.06 0.00 0.00 38.32 38.19 1upm h ASN 184 CO 0.09 1.16 -0.17 0.22 -1.06 0.00 0.00 177.43 177.66 1upm h TYR 185 N 0.31 -0.44 -0.89 1.19 3.20 -0.85 -1.70 116.97 117.80 1upm h TYR 185 Ca -0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1upm h TYR 185 Cb 1.39 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.84 1upm h TYR 185 CO 0.06 -0.25 0.49 0.78 -1.64 0.00 0.00 178.16 177.60 1upm h GLY 186 N -0.17 1.33 0.97 1.82 0.00 -1.50 -0.38 103.07 105.15 1upm h GLY 186 Ca 0.13 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1upm h GLY 186 CO -0.33 0.58 0.34 -0.09 0.00 0.00 0.00 176.54 177.03 1upm h ARG 187 N 1.25 0.66 -0.32 4.80 2.43 -1.15 -0.77 114.38 121.28 1upm h ARG 187 Ca 0.31 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1upm h ARG 187 Cb 0.03 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1upm h ARG 187 CO -0.05 0.44 0.01 0.00 -1.51 0.00 0.00 179.97 178.86 1upm h ALA 188 N 1.20 0.44 -0.34 2.80 0.00 -0.77 -2.55 119.26 120.02 1upm h ALA 188 Ca 0.20 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1upm h ALA 188 Cb -0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 1upm h ALA 188 CO -0.05 0.18 -0.08 0.28 0.00 0.00 0.00 179.25 179.57 1upm h VAL 189 N 0.37 0.66 0.11 0.00 2.07 -0.90 -1.70 116.25 116.87 1upm h VAL 189 Ca 0.09 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1upm h VAL 189 Cb 0.43 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1upm h VAL 189 CO 0.01 0.00 -0.07 0.22 0.02 0.00 0.00 177.57 177.75 1upm h TYR 190 N 0.00 -0.19 -0.81 1.57 3.20 -1.03 -0.88 116.97 118.84 1upm h TYR 190 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1upm h TYR 190 Cb 0.25 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1upm h TYR 190 CO -0.32 -0.11 0.51 0.93 -1.64 0.00 0.00 178.16 177.53 1upm h GLU 191 N -0.18 1.08 0.26 1.82 4.39 -1.23 -1.72 114.58 118.99 1upm h GLU 191 Ca -0.01 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1upm h GLU 191 Cb 0.16 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1upm h GLU 191 CO 0.01 0.74 -0.21 0.00 -1.16 0.00 0.00 179.01 178.39 1upm h LEU 193 N -0.48 0.51 -0.96 0.00 3.38 -0.91 -2.40 115.31 114.45 1upm h LEU 193 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1upm h LEU 193 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1upm h LEU 193 CO -0.02 0.66 0.00 0.08 0.09 0.00 0.00 178.44 179.25 1upm h ARG 194 N 0.49 0.00 -0.01 1.13 0.11 -1.35 -2.75 114.38 112.00 1upm h ARG 194 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1upm h ARG 194 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 1upm h ARG 194 CO 0.03 0.00 -0.23 0.41 0.10 0.00 0.00 179.97 180.27 1upm n GLY 195 N 0.11 -0.51 0.00 0.08 0.00 -0.90 -4.93 105.19 99.05 1upm n GLY 195 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1upm n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 196 N 1.32 0.88 3.80 -0.02 0.00 -1.04 -2.13 105.19 108.00 1upm n GLY 196 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1upm n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upm s LEU 197 N 0.00 3.85 -0.02 0.99 1.43 -1.25 -4.83 118.68 118.84 1upm s LEU 197 Ca 0.00 1.92 -0.05 0.00 -1.03 0.00 0.00 54.13 54.97 1upm s LEU 197 Cb 0.00 -4.56 -0.28 0.00 0.03 0.00 0.00 46.19 41.38 1upm s LEU 197 CO 0.00 -0.77 0.76 0.44 0.23 0.00 0.00 176.35 177.01 1upm h ASP 198 N 1.56 0.46 -4.30 2.29 3.32 -1.46 -3.44 116.42 114.85 1upm h ASP 198 Ca -0.49 -0.68 -0.43 0.00 0.02 0.00 0.00 57.03 55.45 1upm h ASP 198 Cb 1.22 -0.15 -0.20 0.00 0.22 0.00 0.00 39.33 40.42 1upm h ASP 198 CO 0.59 1.57 -0.78 -0.36 -1.72 0.00 0.00 179.24 178.55 1upm s PHE 199 N -2.60 1.33 0.00 4.55 0.08 -0.00 -2.26 117.98 119.08 1upm s PHE 199 Ca -0.12 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.44 1upm s PHE 199 Cb 0.06 -0.73 0.00 0.00 -0.57 0.00 0.00 43.02 41.79 1upm s PHE 199 CO 0.85 0.10 0.00 0.25 -0.10 0.00 0.00 175.22 176.32 1upm n THR 200 N 0.99 0.00 -2.18 0.64 -2.24 -0.89 -3.26 114.28 107.34 1upm n THR 200 Ca -0.19 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 1upm n THR 200 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1upm n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upm s ASP 202 N 1.00 6.86 0.66 3.42 1.01 -0.84 -1.25 116.67 127.53 1upm s ASP 202 Ca 0.00 2.57 -0.17 0.00 0.71 0.00 0.00 52.55 55.66 1upm s ASP 202 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1upm s ASP 202 CO 0.00 -0.49 1.21 -0.62 0.21 0.00 0.00 175.17 175.48 1upm s ASP 203 N -0.29 4.70 0.50 0.27 -1.08 -1.26 -4.89 116.67 114.61 1upm s ASP 203 Ca 0.51 2.36 0.19 0.00 -0.52 0.00 0.00 52.55 55.10 1upm s ASP 203 Cb -0.38 -2.59 1.25 0.00 -1.46 0.00 0.00 42.92 39.74 1upm s ASP 203 CO 0.47 -1.92 2.03 1.05 0.52 0.00 0.00 175.17 177.32 1upm h GLU 204 N 0.27 0.13 0.00 4.34 9.09 -1.98 -1.65 114.58 124.77 1upm h GLU 204 Ca -0.49 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1upm h GLU 204 Cb 1.30 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1upm h GLU 204 CO 0.52 0.08 -0.83 0.27 0.05 0.00 0.00 179.01 179.11 1upm n ASN 205 N -4.45 0.72 -4.56 3.06 6.94 -1.26 -4.78 115.26 110.94 1upm n ASN 205 Ca 0.07 -0.56 -0.39 0.00 -0.02 0.00 0.00 54.58 53.68 1upm n ASN 205 Cb 0.40 0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 38.48 1upm n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1upm s VAL 206 N -3.04 3.22 0.00 3.53 1.01 -0.62 -4.84 120.40 119.65 1upm s VAL 206 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1upm s VAL 206 Cb 0.16 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1upm s VAL 206 CO 0.79 -0.44 0.00 0.59 0.00 0.00 0.00 175.10 176.04 1upm n ASN 207 N 13.49 0.00 -3.90 3.32 5.03 -1.26 -4.77 115.26 127.17 1upm n ASN 207 Ca 0.27 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.49 1upm n ASN 207 Cb 0.52 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.11 1upm n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1upm s SER 208 N 0.41 1.64 0.21 6.41 0.15 -1.26 -4.20 113.70 117.06 1upm s SER 208 Ca 0.00 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.41 1upm s SER 208 Cb 0.00 -0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 63.63 1upm s SER 208 CO 0.00 -0.09 0.20 -1.10 1.20 0.00 0.00 173.24 173.46 1upm s GLN 209 N 1.33 1.28 0.41 5.44 1.11 -0.25 -4.92 119.66 124.05 1upm s GLN 209 Ca -0.03 -1.56 0.12 0.00 0.01 0.00 0.00 55.36 53.90 1upm s GLN 209 Cb -0.14 0.31 0.95 0.00 -1.01 0.00 0.00 33.01 33.13 1upm s GLN 209 CO -0.03 -0.44 1.95 -1.35 0.01 0.00 0.00 175.29 175.43 1upm h PRO 210 N 2.54 0.50 0.00 2.91 0.11 -2.02 -0.17 132.00 135.87 1upm h PRO 210 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1upm h PRO 210 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1upm h PRO 210 CO 0.49 0.33 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 1upm h PHE 211 N 0.51 0.00 -0.51 0.65 -5.15 -1.95 -3.44 116.94 107.05 1upm h PHE 211 Ca 0.33 0.00 0.20 0.00 -0.20 0.00 0.00 57.97 58.29 1upm h PHE 211 Cb 0.59 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.55 1upm h PHE 211 CO -0.00 0.00 0.01 1.41 -2.00 0.00 0.00 178.31 177.73 1upm s MET 212 N -3.20 0.29 0.29 6.09 0.00 -0.08 -4.33 119.30 118.36 1upm s MET 212 Ca 0.08 0.50 -0.15 0.00 0.00 0.00 0.00 55.69 56.12 1upm s MET 212 Cb 0.10 0.27 -0.09 0.00 0.00 0.00 0.00 34.83 35.12 1upm s MET 212 CO 0.56 -0.33 0.70 1.03 0.00 0.00 0.00 175.02 176.98 1upm s ARG 213 N 2.93 4.00 0.22 4.11 1.81 -1.22 -1.10 118.95 129.70 1upm s ARG 213 Ca 0.06 0.62 -0.09 0.00 -1.72 0.00 0.00 55.73 54.60 1upm s ARG 213 Cb -0.11 -2.54 0.22 0.00 -0.45 0.00 0.00 34.95 32.07 1upm s ARG 213 CO -0.14 0.22 1.86 0.11 -0.68 0.00 0.00 175.30 176.67 1upm h TRP 214 N 2.48 0.91 -0.28 -0.53 5.08 -1.91 -2.78 115.95 118.92 1upm h TRP 214 Ca -0.48 0.02 -0.18 0.00 1.08 0.00 0.00 58.89 59.33 1upm h TRP 214 Cb 1.18 -0.30 -0.00 0.00 -3.00 0.00 0.00 29.16 27.04 1upm h TRP 214 CO 0.62 0.52 -0.55 -0.09 -1.28 0.00 0.00 178.44 177.66 1upm h ARG 215 N 0.95 0.84 -0.60 0.12 2.43 -1.94 -0.41 114.38 115.77 1upm h ARG 215 Ca 0.31 -0.53 0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1upm h ARG 215 Cb 0.01 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 1upm h ARG 215 CO -0.11 1.17 0.28 -0.44 -1.51 0.00 0.00 179.97 179.35 1upm h ASP 216 N 0.64 0.35 -0.02 -3.80 3.32 -1.97 -2.73 116.42 112.22 1upm h ASP 216 Ca 0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1upm h ASP 216 Cb 1.15 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1upm h ASP 216 CO 0.12 0.22 0.01 -0.09 -1.72 0.00 0.00 179.24 177.79 1upm h ARG 217 N 0.51 0.03 -0.72 3.56 2.43 -1.05 -2.20 114.38 116.94 1upm h ARG 217 Ca 0.28 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.60 1upm h ARG 217 Cb 0.27 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.71 1upm h ARG 217 CO -0.23 0.13 0.18 0.74 -1.51 0.00 0.00 179.97 179.27 1upm h PHE 218 N -0.07 0.28 -0.19 2.20 -1.00 -1.07 0.15 116.94 117.24 1upm h PHE 218 Ca 0.01 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.78 1upm h PHE 218 Cb 0.10 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1upm h PHE 218 CO -0.04 -0.07 -0.08 1.25 -1.61 0.00 0.00 178.31 177.76 1upm h LEU 219 N 0.28 0.40 -0.56 1.54 6.46 -1.40 -0.89 115.31 121.14 1upm h LEU 219 Ca 0.40 -0.40 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 1upm h LEU 219 Cb 0.67 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1upm h LEU 219 CO -0.49 0.71 -0.49 -0.26 -0.62 0.00 0.00 178.44 177.29 1upm h PHE 220 N 0.09 0.71 -0.17 1.25 0.04 -1.03 -2.65 116.94 115.17 1upm h PHE 220 Ca 0.04 -0.23 -0.12 0.00 2.80 0.00 0.00 57.97 60.46 1upm h PHE 220 Cb 0.56 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1upm h PHE 220 CO 0.06 0.96 -0.39 0.00 -0.60 0.00 0.00 178.31 178.34 1upm h ALA 222 N 1.26 0.14 -0.66 0.00 0.00 -1.10 -0.38 119.26 118.52 1upm h ALA 222 Ca 0.03 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 222 Cb 0.83 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1upm h ALA 222 CO 0.07 -0.42 0.39 1.49 0.00 0.00 0.00 179.25 180.77 1upm h GLU 223 N 0.09 0.71 0.00 0.00 4.81 -1.27 -2.18 114.58 116.74 1upm h GLU 223 Ca 0.06 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1upm h GLU 223 Cb 0.05 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1upm h GLU 223 CO -0.08 0.47 -0.00 0.00 -0.73 0.00 0.00 179.01 178.67 1upm h ALA 224 N 1.32 -0.00 -0.60 2.92 0.00 -1.24 -2.09 119.26 119.58 1upm h ALA 224 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1upm h ALA 224 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1upm h ALA 224 CO -0.15 -0.38 0.26 1.37 0.00 0.00 0.00 179.25 180.35 1upm h LEU 225 N -0.23 0.78 -0.80 0.00 8.10 -0.93 -1.72 115.31 120.51 1upm h LEU 225 Ca -0.00 -0.09 -0.12 0.00 0.11 0.00 0.00 57.88 57.78 1upm h LEU 225 Cb 0.23 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 1upm h LEU 225 CO 0.00 0.69 -0.46 1.88 -4.11 0.00 0.00 178.44 176.43 1upm h TYR 226 N 0.85 0.38 -0.26 0.17 0.05 -1.39 -0.49 116.97 116.28 1upm h TYR 226 Ca 0.21 -0.11 -0.13 0.00 0.05 0.00 0.00 58.73 58.74 1upm h TYR 226 Cb 0.13 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1upm h TYR 226 CO 0.01 0.72 -0.38 -0.22 -1.05 0.00 0.00 178.16 177.24 1upm h LYS 227 N 0.25 0.60 -0.17 4.88 3.64 -0.85 -2.45 116.57 122.47 1upm h LYS 227 Ca 0.02 -0.30 -0.13 0.00 -1.27 0.00 0.00 60.65 58.97 1upm h LYS 227 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1upm h LYS 227 CO 0.08 0.88 -0.41 0.00 -2.27 0.00 0.00 179.45 177.73 1upm h ALA 228 N 1.08 0.28 -0.71 5.00 0.00 -0.82 -2.59 119.26 121.50 1upm h ALA 228 Ca 0.05 -0.46 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1upm h ALA 228 Cb 0.89 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1upm h ALA 228 CO 0.08 0.38 0.28 0.37 0.00 0.00 0.00 179.25 180.36 1upm h GLN 229 N 0.23 0.44 -0.06 0.00 4.15 -1.12 -1.84 115.11 116.91 1upm h GLN 229 Ca -0.00 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.22 1upm h GLN 229 Cb 1.02 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 1upm h GLN 229 CO 0.09 0.29 -0.71 0.00 -1.93 0.00 0.00 178.83 176.57 1upm h ALA 230 N 1.50 0.69 -0.29 3.38 0.00 -1.37 -0.86 119.26 122.30 1upm h ALA 230 Ca 0.38 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1upm h ALA 230 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1upm h ALA 230 CO -0.36 0.78 -0.22 1.49 0.00 0.00 0.00 179.25 180.94 1upm h GLU 231 N 0.19 0.67 0.00 0.00 4.81 -1.14 -3.36 114.58 115.76 1upm h GLU 231 Ca -0.02 -0.33 -0.24 0.00 -0.13 0.00 0.00 59.36 58.64 1upm h GLU 231 Cb 1.26 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1upm h GLU 231 CO 0.11 0.93 -1.64 0.25 -0.73 0.00 0.00 179.01 177.93 1upm n THR 232 N -4.33 1.39 -0.72 0.32 -2.24 -0.72 -5.00 114.28 102.99 1upm n THR 232 Ca -0.04 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1upm n THR 232 Cb 0.43 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1upm n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1upm n GLY 233 N 1.50 0.68 3.37 3.38 0.00 -0.34 -5.06 105.19 108.72 1upm n GLY 233 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1upm n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upm s GLU 234 N -0.28 1.86 0.29 1.61 2.02 -1.24 -5.07 118.70 117.89 1upm s GLU 234 Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 54.97 53.61 1upm s GLU 234 Cb 0.00 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 32.10 1upm s GLU 234 CO 0.00 0.52 1.44 0.42 0.02 0.00 0.00 175.26 177.66 1upm s ILE 235 N -0.83 2.48 0.23 -1.63 1.01 -1.26 -4.44 121.20 116.76 1upm s ILE 235 Ca 0.12 0.43 0.11 0.00 0.00 0.00 0.00 60.65 61.31 1upm s ILE 235 Cb -0.10 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1upm s ILE 235 CO 0.03 0.08 -0.21 -0.54 0.00 0.00 0.00 174.94 174.30 1upm s LYS 236 N -0.99 1.55 0.04 2.79 -0.14 -1.26 -4.89 119.74 116.84 1upm s LYS 236 Ca 0.57 -1.64 -0.04 0.00 -1.36 0.00 0.00 55.97 53.50 1upm s LYS 236 Cb -0.43 -1.69 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 1upm s LYS 236 CO 0.49 0.33 0.06 0.20 -0.76 0.00 0.00 175.35 175.67 1upm s GLY 237 N -3.14 0.24 -0.08 -3.33 0.00 -0.96 -4.79 107.32 95.26 1upm s GLY 237 Ca 0.25 -0.69 -0.00 0.00 0.00 0.00 0.00 44.72 44.28 1upm s GLY 237 CO 0.12 -0.81 -0.04 -1.58 0.00 0.00 0.00 173.10 170.79 1upm s HIS 238 N -2.75 1.02 -0.53 1.90 2.46 -1.26 -2.08 115.29 114.05 1upm s HIS 238 Ca -0.04 -0.40 -0.28 0.00 0.47 0.00 0.00 55.06 54.81 1upm s HIS 238 Cb -0.00 -0.95 0.00 0.00 -0.13 0.00 0.00 32.58 31.50 1upm s HIS 238 CO -0.05 -0.37 1.52 0.71 -2.47 0.00 0.00 174.74 174.07 1upm s TYR 239 N 1.65 2.15 -0.05 3.88 2.02 -0.38 -4.75 117.35 121.87 1upm s TYR 239 Ca 0.01 0.55 -0.29 0.00 -0.37 0.00 0.00 57.07 56.98 1upm s TYR 239 Cb -0.13 -4.31 -0.03 0.00 -0.40 0.00 0.00 41.96 37.09 1upm s TYR 239 CO -0.05 -2.14 0.93 -0.51 -1.57 0.00 0.00 175.55 172.22 1upm s LEU 240 N 6.51 4.32 -0.08 -1.29 1.43 -1.21 -1.98 118.68 126.37 1upm s LEU 240 Ca 0.58 1.52 -0.24 0.00 -1.03 0.00 0.00 54.13 54.97 1upm s LEU 240 Cb -0.13 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1upm s LEU 240 CO 0.26 -0.30 0.72 0.21 0.23 0.00 0.00 176.35 177.48 1upm s ASN 241 N 1.01 6.98 0.00 2.29 3.04 -1.26 -1.30 114.94 125.70 1upm s ASN 241 Ca 0.48 1.19 0.18 0.00 0.04 0.00 0.00 52.86 54.75 1upm s ASN 241 Cb -0.20 -2.42 0.04 0.00 -1.54 0.00 0.00 41.25 37.14 1upm s ASN 241 CO 0.23 -0.17 0.96 0.00 -3.04 0.00 0.00 177.10 175.08 1upm n ALA 242 N 4.03 3.00 -1.67 1.71 0.00 -0.74 -4.92 120.51 121.92 1upm n ALA 242 Ca -0.00 -0.59 -0.44 0.00 0.00 0.00 0.00 53.44 52.41 1upm n ALA 242 Cb 0.51 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 1upm n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1upm n THR 243 N 0.27 1.63 -3.83 0.00 -1.04 -1.26 -4.25 114.28 105.80 1upm n THR 243 Ca 0.08 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.05 61.62 1upm n THR 243 Cb 0.40 -1.43 0.01 0.00 -1.82 0.00 0.00 70.33 67.49 1upm n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upm s ALA 244 N -0.73 -1.12 -0.04 2.41 0.00 -1.26 -4.80 121.76 116.22 1upm s ALA 244 Ca 0.60 -0.50 0.12 0.00 0.00 0.00 0.00 51.96 52.19 1upm s ALA 244 Cb -0.62 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1upm s ALA 244 CO 0.58 -1.02 1.41 0.78 0.00 0.00 0.00 175.76 177.50 1upm h GLY 245 N 2.00 0.00 -2.89 0.00 0.00 -1.96 -3.47 103.07 96.75 1upm h GLY 245 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.77 1upm h GLY 245 CO 0.35 0.00 -0.70 -0.51 0.00 0.00 0.00 176.54 175.68 1upm s THR 246 N -2.92 0.92 0.24 4.70 -4.23 -1.26 -5.06 115.64 108.03 1upm s THR 246 Ca 0.03 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1upm s THR 246 Cb 0.09 -1.80 0.15 0.00 1.34 0.00 0.00 72.50 72.28 1upm s THR 246 CO 0.77 -0.78 1.79 0.00 -0.54 0.00 0.00 174.62 175.85 1upm h GLU 248 N 1.02 0.41 -0.15 0.00 3.07 -1.99 0.15 114.58 117.08 1upm h GLU 248 Ca 0.23 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1upm h GLU 248 Cb 0.27 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1upm h GLU 248 CO -0.01 0.27 0.03 -0.44 -1.40 0.00 0.00 179.01 177.46 1upm h ASP 249 N 0.42 0.24 -0.46 1.42 5.19 -1.92 -1.09 116.42 120.21 1upm h ASP 249 Ca 0.21 -0.24 0.09 0.00 -0.62 0.00 0.00 57.03 56.47 1upm h ASP 249 Cb 0.16 -0.06 -0.08 0.00 0.18 0.00 0.00 39.33 39.52 1upm h ASP 249 CO -0.18 0.42 -0.07 -0.03 -3.12 0.00 0.00 179.24 176.26 1upm h MET 250 N 0.04 0.04 -0.79 3.56 4.05 -1.09 -2.55 114.93 118.19 1upm h MET 250 Ca 0.05 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1upm h MET 250 Cb 0.28 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 1upm h MET 250 CO 0.00 0.03 0.44 0.52 0.23 0.00 0.00 176.91 178.13 1upm h MET 251 N 0.04 1.10 -0.83 0.39 2.86 -0.42 -2.33 114.93 115.73 1upm h MET 251 Ca 0.23 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1upm h MET 251 Cb 0.34 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1upm h MET 251 CO -0.44 0.80 0.55 0.87 1.06 0.00 0.00 176.91 179.74 1upm h LYS 252 N 1.11 0.99 -0.22 1.72 1.57 -0.80 -0.43 116.57 120.51 1upm h LYS 252 Ca 0.28 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 1upm h LYS 252 Cb 0.02 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1upm h LYS 252 CO -0.05 0.65 -0.51 0.00 -0.57 0.00 0.00 179.45 178.98 1upm h ARG 253 N 1.02 0.73 -0.68 3.15 3.08 -1.16 -2.54 114.38 117.98 1upm h ARG 253 Ca 0.33 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1upm h ARG 253 Cb 0.05 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1upm h ARG 253 CO -0.10 1.11 0.30 0.00 -1.07 0.00 0.00 179.97 180.22 1upm h ALA 254 N 0.61 0.88 -0.69 0.04 0.00 -1.28 -1.75 119.26 117.07 1upm h ALA 254 Ca -0.00 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1upm h ALA 254 Cb 1.12 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1upm h ALA 254 CO 0.11 0.47 0.35 0.28 0.00 0.00 0.00 179.25 180.45 1upm h VAL 255 N 0.95 0.86 -0.02 0.00 2.07 -1.06 -1.37 116.25 117.68 1upm h VAL 255 Ca 0.23 -0.21 -0.20 0.00 0.82 0.00 0.00 66.70 67.35 1upm h VAL 255 Cb 0.16 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1upm h VAL 255 CO -0.02 0.11 -0.83 0.15 0.02 0.00 0.00 177.57 176.99 1upm h PHE 256 N 0.60 0.41 -0.51 1.57 3.57 -1.02 -1.97 116.94 119.59 1upm h PHE 256 Ca 0.34 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1upm h PHE 256 Cb 0.33 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1upm h PHE 256 CO -0.11 1.00 0.28 0.00 -2.23 0.00 0.00 178.31 177.25 1upm h ALA 257 N 0.94 0.65 -0.11 2.41 0.00 -1.08 -1.18 119.26 120.88 1upm h ALA 257 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1upm h ALA 257 Cb 1.44 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1upm h ALA 257 CO 0.13 -0.04 -0.35 -0.09 0.00 0.00 0.00 179.25 178.91 1upm h ARG 258 N 0.56 -0.42 -0.94 0.00 1.12 -1.10 -2.35 114.38 111.25 1upm h ARG 258 Ca 0.21 0.03 0.17 0.00 -1.11 0.00 0.00 59.98 59.28 1upm h ARG 258 Cb 0.07 0.09 -0.08 0.00 -0.01 0.00 0.00 29.97 30.04 1upm h ARG 258 CO -0.12 -0.28 0.60 1.49 -3.11 0.00 0.00 179.97 178.55 1upm h GLU 259 N -0.43 0.67 0.00 0.20 4.81 -1.08 0.20 114.58 118.95 1upm h GLU 259 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1upm h GLU 259 Cb 0.57 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1upm h GLU 259 CO -0.35 0.44 0.00 1.28 -0.73 0.00 0.00 179.01 179.65 1upm n LEU 260 N -4.62 0.43 -0.74 1.64 4.77 -0.47 -4.93 117.00 113.08 1upm n LEU 260 Ca 0.20 0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 56.68 1upm n LEU 260 Cb 0.54 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1upm n LEU 260 CO 0.27 -0.34 -0.09 0.61 -1.33 0.00 0.00 177.39 176.52 1upm n GLY 261 N 0.42 0.46 3.93 -0.72 0.00 0.71 -5.03 105.19 104.95 1upm n GLY 261 Ca 0.04 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 1upm n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upm s VAL 262 N -2.34 4.96 -0.22 1.61 0.11 -1.22 -5.03 120.40 118.27 1upm s VAL 262 Ca 0.00 -0.20 0.20 0.00 -2.93 0.00 0.00 61.98 59.05 1upm s VAL 262 Cb 0.00 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 31.01 1upm s VAL 262 CO 0.00 -0.66 1.08 1.55 -3.33 0.00 0.00 175.10 173.74 1upm h PRO 263 N 0.52 0.00 -2.81 1.54 0.13 -1.92 -3.46 132.00 126.01 1upm h PRO 263 Ca -0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 1upm h PRO 263 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 1upm h PRO 263 CO 0.61 0.12 -0.29 -1.50 -0.23 0.00 0.00 178.00 176.72 1upm s ILE 264 N -3.19 -0.01 0.48 -3.56 2.07 -1.26 -1.58 121.20 114.15 1upm s ILE 264 Ca 0.00 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1upm s ILE 264 Cb 0.09 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 1upm s ILE 264 CO 0.78 0.01 0.03 0.68 -1.91 0.00 0.00 174.94 174.53 1upm s VAL 265 N 0.43 1.49 0.12 4.00 -7.23 -0.67 -3.36 120.40 115.17 1upm s VAL 265 Ca -0.02 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1upm s VAL 265 Cb -0.04 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1upm s VAL 265 CO -0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 174.74 1upm s MET 266 N -3.85 0.89 -0.08 4.82 0.23 -0.42 -1.31 119.30 119.59 1upm s MET 266 Ca 0.17 -1.39 -0.13 0.00 -1.03 0.00 0.00 55.69 53.32 1upm s MET 266 Cb 0.04 -0.12 0.03 0.00 -1.53 0.00 0.00 34.83 33.25 1upm s MET 266 CO 0.09 -0.09 0.32 -1.58 -2.03 0.00 0.00 175.02 171.73 1upm s HIS 267 N -3.72 -0.28 -0.56 3.16 5.04 -0.62 -1.79 115.29 116.53 1upm s HIS 267 Ca 0.16 0.61 -0.19 0.00 -1.54 0.00 0.00 55.06 54.10 1upm s HIS 267 Cb 0.06 0.11 0.09 0.00 0.04 0.00 0.00 32.58 32.88 1upm s HIS 267 CO -0.02 -0.26 0.67 -0.51 -2.34 0.00 0.00 174.74 172.27 1upm s ASP 268 N -0.47 6.19 0.26 9.88 1.01 -1.26 -1.09 116.67 131.19 1upm s ASP 268 Ca -0.06 -1.29 0.14 0.00 0.71 0.00 0.00 52.55 52.05 1upm s ASP 268 Cb -0.04 -2.29 0.06 0.00 1.01 0.00 0.00 42.92 41.66 1upm s ASP 268 CO 0.02 -1.03 1.43 0.10 0.21 0.00 0.00 175.17 175.90 1upm h TYR 269 N 9.12 0.00 0.17 4.23 -0.00 -1.85 0.05 116.97 128.68 1upm h TYR 269 Ca -0.29 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.11 1upm h TYR 269 Cb 1.09 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.83 1upm h TYR 269 CO 0.80 0.58 -1.63 -0.07 -0.00 0.00 0.00 178.16 177.84 1upm h LEU 270 N 0.00 0.57 0.07 0.10 3.38 -1.81 0.53 115.31 118.15 1upm h LEU 270 Ca -0.01 -0.79 -0.24 0.00 0.09 0.00 0.00 57.88 56.94 1upm h LEU 270 Cb 1.42 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 42.01 1upm h LEU 270 CO 0.08 1.65 -0.99 0.71 0.09 0.00 0.00 178.44 179.98 1upm h THR 271 N 0.10 1.35 -0.28 0.22 1.35 -1.71 -3.14 112.91 110.80 1upm h THR 271 Ca -0.30 -2.34 -0.01 0.00 -0.55 0.00 0.00 66.41 63.22 1upm h THR 271 Cb 2.08 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 71.19 1upm h THR 271 CO 0.19 0.70 0.15 1.23 -0.25 0.00 0.00 175.52 177.53 1upm h GLY 272 N 0.10 0.43 0.00 5.82 0.00 -1.16 -3.50 103.07 104.75 1upm h GLY 272 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1upm h GLY 272 CO 0.19 0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.53 1upm n GLY 273 N -0.91 2.16 0.12 4.60 0.00 0.18 -4.67 105.19 106.67 1upm n GLY 273 Ca -0.02 -1.95 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 1upm n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1upm h PHE 274 N 0.00 0.44 -0.33 1.61 0.04 -1.89 0.79 116.94 117.60 1upm h PHE 274 Ca 0.00 -0.23 0.06 0.00 2.80 0.00 0.00 57.97 60.60 1upm h PHE 274 Cb 0.00 -0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.01 1upm h PHE 274 CO 0.00 1.02 -0.42 1.15 -0.60 0.00 0.00 178.31 179.46 1upm h THR 275 N -0.26 0.13 -0.63 -1.55 2.02 -1.94 -0.59 112.91 110.09 1upm h THR 275 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1upm h THR 275 Cb 1.12 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1upm h THR 275 CO 0.08 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.38 1upm h ALA 276 N 0.35 0.80 -0.66 6.16 0.00 -1.82 -2.98 119.26 121.10 1upm h ALA 276 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1upm h ALA 276 Cb 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1upm h ALA 276 CO -0.52 0.24 0.44 -0.97 0.00 0.00 0.00 179.25 178.44 1upm h ASN 277 N 0.86 0.75 -0.23 0.00 -0.73 -0.29 -2.25 115.58 113.69 1upm h ASN 277 Ca 0.23 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.27 1upm h ASN 277 Cb -0.08 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.32 1upm h ASN 277 CO -0.05 0.54 -0.29 0.74 -0.37 0.00 0.00 177.43 178.01 1upm h THR 278 N 0.88 1.32 -0.65 -3.57 2.02 -1.05 -0.66 112.91 111.21 1upm h THR 278 Ca 0.25 -1.48 0.14 0.00 0.77 0.00 0.00 66.41 66.09 1upm h THR 278 Cb -0.08 1.74 -0.11 0.00 -1.74 0.00 0.00 68.15 67.97 1upm h THR 278 CO -0.06 0.46 0.02 0.74 0.37 0.00 0.00 175.52 177.05 1upm h THR 279 N 0.29 0.47 -0.03 3.16 2.02 -1.36 -1.05 112.91 116.41 1upm h THR 279 Ca 0.03 -0.04 -0.21 0.00 0.77 0.00 0.00 66.41 66.96 1upm h THR 279 Cb 0.86 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1upm h THR 279 CO 0.07 0.02 -0.86 0.25 0.37 0.00 0.00 175.52 175.37 1upm h LEU 280 N 0.13 0.49 -0.31 2.58 5.85 -1.09 -2.15 115.31 120.80 1upm h LEU 280 Ca 0.34 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1upm h LEU 280 Cb 0.57 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1upm h LEU 280 CO -0.55 1.15 0.10 -1.28 -0.34 0.00 0.00 178.44 177.52 1upm h SER 281 N 0.23 0.10 -0.91 1.25 0.87 -0.60 -0.07 113.55 114.42 1upm h SER 281 Ca -0.06 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1upm h SER 281 Cb 1.48 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.42 1upm h SER 281 CO 0.15 0.09 0.60 0.45 -0.53 0.00 0.00 176.83 177.59 1upm h HIS 282 N 0.23 1.14 -0.60 2.24 3.86 -1.13 -1.91 115.15 118.99 1upm h HIS 282 Ca 0.14 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1upm h HIS 282 Cb 0.12 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 1upm h HIS 282 CO -0.14 0.70 0.20 -0.92 0.86 0.00 0.00 177.93 178.62 1upm h TYR 283 N 1.21 0.95 -0.56 2.45 3.20 -1.15 -1.46 116.97 121.61 1upm h TYR 283 Ca 0.34 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 1upm h TYR 283 Cb -0.10 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 1upm h TYR 283 CO -0.01 0.78 -0.02 0.00 -1.64 0.00 0.00 178.16 177.27 1upm h ARG 285 N 0.90 -0.15 0.00 0.00 9.65 -1.21 -0.77 114.38 122.79 1upm h ARG 285 Ca 0.16 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1upm h ARG 285 Cb 0.56 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1upm h ARG 285 CO 0.03 -0.10 0.03 -0.25 2.80 0.00 0.00 179.97 182.48 1upm n ASP 286 N -5.17 0.53 0.00 -3.80 8.00 -0.56 -3.21 116.55 112.34 1upm n ASP 286 Ca -0.08 0.74 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1upm n ASP 286 Cb 0.10 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1upm n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1upm n ASN 287 N -2.22 0.54 -0.14 -2.24 3.02 -0.86 -5.03 115.26 108.33 1upm n ASN 287 Ca -0.01 -1.24 -0.02 0.00 -0.03 0.00 0.00 54.58 53.28 1upm n ASN 287 Cb 0.07 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 1upm n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1upm n GLY 288 N -0.12 0.49 3.69 7.41 0.00 -0.35 -5.02 105.19 111.29 1upm n GLY 288 Ca 0.00 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 1upm n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upm s LEU 289 N -0.41 4.18 0.49 0.99 1.43 -0.85 -4.96 118.68 119.55 1upm s LEU 289 Ca 0.00 0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 53.30 1upm s LEU 289 Cb 0.00 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 1upm s LEU 289 CO 0.00 0.03 1.34 -0.76 0.23 0.00 0.00 176.35 177.19 1upm s LEU 290 N 0.90 3.98 -0.32 1.79 1.43 -0.61 -4.62 118.68 121.23 1upm s LEU 290 Ca 0.16 2.73 0.02 0.00 -1.03 0.00 0.00 54.13 56.01 1upm s LEU 290 Cb -0.14 -4.14 0.10 0.00 0.03 0.00 0.00 46.19 42.04 1upm s LEU 290 CO 0.05 -1.30 0.06 -0.22 0.23 0.00 0.00 176.35 175.17 1upm s LEU 291 N -3.13 3.92 -0.07 1.79 2.96 -1.26 -1.67 118.68 121.22 1upm s LEU 291 Ca 0.66 -1.95 -0.30 0.00 -0.22 0.00 0.00 54.13 52.32 1upm s LEU 291 Cb -0.39 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1upm s LEU 291 CO 0.48 -0.38 1.02 -2.28 -1.32 0.00 0.00 176.35 173.88 1upm s HIS 292 N 1.13 3.52 -0.18 5.38 5.65 -0.43 -0.83 115.29 129.53 1upm s HIS 292 Ca 0.09 1.58 -0.05 0.00 0.25 0.00 0.00 55.06 56.93 1upm s HIS 292 Cb -0.19 -3.20 -0.03 0.00 -1.18 0.00 0.00 32.58 27.99 1upm s HIS 292 CO -0.13 -0.30 0.00 0.42 -0.65 0.00 0.00 174.74 174.09 1upm s ILE 293 N 1.76 4.11 -0.13 0.89 -1.09 -0.48 -1.58 121.20 124.69 1upm s ILE 293 Ca 0.50 -0.27 -0.06 0.00 -2.23 0.00 0.00 60.65 58.59 1upm s ILE 293 Cb -0.20 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1upm s ILE 293 CO 0.21 0.45 0.11 -2.28 -1.23 0.00 0.00 174.94 172.20 1upm s HIS 294 N 0.68 3.49 -0.32 3.97 5.65 -0.25 -3.07 115.29 125.43 1upm s HIS 294 Ca -0.00 0.43 0.10 0.00 0.25 0.00 0.00 55.06 55.84 1upm s HIS 294 Cb -0.14 -1.94 0.70 0.00 -1.18 0.00 0.00 32.58 30.02 1upm s HIS 294 CO 0.02 0.62 1.76 2.89 -0.65 0.00 0.00 174.74 179.38 1upm n ARG 295 N 2.24 3.34 -1.25 2.88 1.85 -1.26 -2.85 116.66 121.60 1upm n ARG 295 Ca -0.19 -3.08 -0.48 0.00 -1.00 0.00 0.00 57.85 53.11 1upm n ARG 295 Cb 0.54 -2.15 -0.06 0.00 -1.05 0.00 0.00 32.46 29.75 1upm n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1upm n ALA 296 N -0.38 -3.03 -0.15 2.89 0.00 -1.26 -1.17 120.51 117.42 1upm n ALA 296 Ca 0.41 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.32 1upm n ALA 296 Cb 1.35 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1upm n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1upm n MET 297 N 1.16 0.00 -0.21 0.00 0.00 -1.26 -4.24 117.12 112.57 1upm n MET 297 Ca 0.17 0.00 -0.08 0.00 -0.00 0.00 0.00 57.70 57.78 1upm n MET 297 Cb 0.11 -0.99 0.05 0.00 0.00 0.00 0.00 33.22 32.38 1upm n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1upm h HIS 298 N 0.00 1.15 0.00 1.12 -0.00 -1.57 -2.55 115.15 113.30 1upm h HIS 298 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 1upm h HIS 298 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.10 1upm h HIS 298 CO 0.00 0.99 0.00 0.00 -0.00 0.00 0.00 177.93 178.92 1upm h ALA 299 N 1.05 1.00 -0.92 6.11 0.00 -1.93 0.61 119.26 125.18 1upm h ALA 299 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1upm h ALA 299 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1upm h ALA 299 CO 0.02 0.00 0.56 0.28 0.00 0.00 0.00 179.25 180.11 1upm h VAL 300 N 0.00 1.25 0.10 0.00 2.07 -1.87 -3.07 116.25 114.73 1upm h VAL 300 Ca 0.00 -0.54 -0.35 0.00 0.82 0.00 0.00 66.70 66.63 1upm h VAL 300 Cb 0.24 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1upm h VAL 300 CO 0.00 0.26 -1.91 0.40 0.02 0.00 0.00 177.57 176.34 1upm h ILE 301 N 1.27 0.70 -0.21 4.57 2.04 -1.13 -3.43 117.51 121.31 1upm h ILE 301 Ca 0.33 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1upm h ILE 301 Cb -0.06 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1upm h ILE 301 CO -0.06 0.81 0.00 -0.90 0.00 0.00 0.00 178.15 178.00 1upm n ASP 302 N -3.39 2.49 0.01 1.72 5.68 0.00 -2.45 116.55 120.61 1upm n ASP 302 Ca -0.28 -1.81 -0.18 0.00 -0.50 0.00 0.00 54.79 52.02 1upm n ASP 302 Cb 1.05 -0.14 -0.12 0.00 -1.14 0.00 0.00 41.12 40.78 1upm n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1upm h ARG 303 N 1.80 0.40 -5.96 0.11 9.65 -1.78 -3.42 114.38 115.17 1upm h ARG 303 Ca 0.00 -0.46 -0.62 0.00 -1.10 0.00 0.00 59.98 57.81 1upm h ARG 303 Cb 0.61 0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.27 1upm h ARG 303 CO 0.00 1.13 -0.26 -0.65 2.80 0.00 0.00 179.97 182.99 1upm s GLN 304 N -3.08 3.80 0.27 0.20 -1.52 -1.26 -4.36 119.66 113.71 1upm s GLN 304 Ca -0.13 0.26 0.11 0.00 -1.95 0.00 0.00 55.36 53.65 1upm s GLN 304 Cb 0.03 -3.17 0.34 0.00 -0.22 0.00 0.00 33.01 29.99 1upm s GLN 304 CO 0.83 0.68 1.60 -0.22 -0.25 0.00 0.00 175.29 177.93 1upm h LYS 305 N 4.55 0.00 0.00 2.91 3.64 -1.90 -3.27 116.57 122.51 1upm h LYS 305 Ca -0.52 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.78 1upm h LYS 305 Cb 1.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1upm h LYS 305 CO 0.62 0.63 -0.55 -2.95 -2.27 0.00 0.00 179.45 174.93 1upm h ASN 306 N 0.00 0.00 -3.35 4.20 -1.07 -1.95 -3.46 115.58 109.96 1upm h ASN 306 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.26 1upm h ASN 306 Cb 1.12 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 37.12 1upm h ASN 306 CO 0.08 0.37 -0.25 -2.28 0.07 0.00 0.00 177.43 175.43 1upm s HIS 307 N -3.03 -0.62 -0.18 4.14 5.04 -1.23 -3.27 115.29 116.13 1upm s HIS 307 Ca 0.03 1.34 0.00 0.00 -1.54 0.00 0.00 55.06 54.89 1upm s HIS 307 Cb 0.07 0.28 0.00 0.00 0.04 0.00 0.00 32.58 32.97 1upm s HIS 307 CO 0.74 -0.34 0.00 0.41 -2.34 0.00 0.00 174.74 173.21 1upm n GLY 308 N 3.97 0.19 2.98 1.59 0.00 -0.26 -4.49 105.19 109.17 1upm n GLY 308 Ca -0.21 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1upm n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1upm s MET 309 N -0.67 0.14 0.62 1.61 -1.94 -1.03 -0.92 119.30 117.10 1upm s MET 309 Ca 0.00 0.43 -0.17 0.00 -1.71 0.00 0.00 55.69 54.24 1upm s MET 309 Cb 0.00 -0.15 -0.02 0.00 2.01 0.00 0.00 34.83 36.67 1upm s MET 309 CO 0.00 -0.16 1.14 -1.58 -0.01 0.00 0.00 175.02 174.41 1upm s HIS 310 N 1.17 2.55 0.42 -0.03 2.46 -0.20 -3.68 115.29 117.99 1upm s HIS 310 Ca -0.09 1.55 0.13 0.00 0.47 0.00 0.00 55.06 57.12 1upm s HIS 310 Cb -0.11 -3.28 0.99 0.00 -0.13 0.00 0.00 32.58 30.05 1upm s HIS 310 CO -0.07 -1.81 1.96 0.35 -2.47 0.00 0.00 174.74 172.71 1upm h PHE 311 N 0.53 0.50 -1.01 3.88 3.57 -1.92 -2.37 116.94 120.13 1upm h PHE 311 Ca -0.48 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.13 1upm h PHE 311 Cb 1.26 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.76 1upm h PHE 311 CO 0.52 0.23 0.64 0.07 -2.23 0.00 0.00 178.31 177.54 1upm h ARG 312 N 0.47 1.05 -0.84 1.11 0.11 -1.92 0.45 114.38 114.81 1upm h ARG 312 Ca 0.30 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 60.29 1upm h ARG 312 Cb 0.56 -0.24 -0.04 0.00 1.11 0.00 0.00 29.97 31.36 1upm h ARG 312 CO -0.09 0.69 0.42 0.28 0.10 0.00 0.00 179.97 181.37 1upm h VAL 313 N 1.08 1.26 -0.14 0.08 2.07 -1.67 -1.25 116.25 117.68 1upm h VAL 313 Ca 0.47 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1upm h VAL 313 Cb 0.36 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1upm h VAL 313 CO -0.23 0.30 -0.49 -0.07 0.02 0.00 0.00 177.57 177.11 1upm h LEU 314 N 1.19 0.40 -0.53 2.57 3.38 -1.14 -1.91 115.31 119.27 1upm h LEU 314 Ca 0.29 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1upm h LEU 314 Cb 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1upm h LEU 314 CO -0.04 0.83 -0.35 0.00 0.09 0.00 0.00 178.44 178.96 1upm h ALA 315 N 1.19 0.71 -0.62 1.53 0.00 -0.03 -2.62 119.26 119.42 1upm h ALA 315 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1upm h ALA 315 Cb 0.97 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1upm h ALA 315 CO 0.08 0.66 0.08 0.87 0.00 0.00 0.00 179.25 180.94 1upm h LYS 316 N 0.67 1.05 -0.65 0.00 1.57 -1.09 -1.84 116.57 116.28 1upm h LYS 316 Ca 0.06 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1upm h LYS 316 Cb 0.91 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1upm h LYS 316 CO 0.08 0.99 0.19 0.00 -0.57 0.00 0.00 179.45 180.14 1upm h ALA 317 N 1.02 1.12 -0.45 3.86 0.00 -1.34 -2.07 119.26 121.41 1upm h ALA 317 Ca 0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1upm h ALA 317 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1upm h ALA 317 CO 0.02 0.60 -0.09 1.25 0.00 0.00 0.00 179.25 181.03 1upm h LEU 318 N 0.96 0.85 -0.89 0.00 7.12 -1.20 -1.31 115.31 120.85 1upm h LEU 318 Ca 0.21 -0.35 0.06 0.00 0.13 0.00 0.00 57.88 57.93 1upm h LEU 318 Cb 0.29 -0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 40.12 1upm h LEU 318 CO -0.01 1.01 0.56 -0.09 -0.13 0.00 0.00 178.44 179.78 1upm h ARG 319 N 0.68 0.99 0.54 1.25 2.43 -0.92 0.37 114.38 119.73 1upm h ARG 319 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1upm h ARG 319 Cb 0.63 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1upm h ARG 319 CO 0.04 0.66 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.83 1upm h LEU 320 N 1.02 -0.61 0.11 3.80 3.38 -1.08 -3.32 115.31 118.61 1upm h LEU 320 Ca 0.38 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.31 1upm h LEU 320 Cb 0.16 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1upm h LEU 320 CO -0.17 -0.30 -0.15 -1.28 0.09 0.00 0.00 178.44 176.64 1upm h SER 321 N -0.94 -0.40 0.00 -0.43 0.87 -1.12 -2.29 113.55 109.24 1upm h SER 321 Ca -0.07 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1upm h SER 321 Cb 0.62 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1upm h SER 321 CO 0.12 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 176.81 1upm n GLY 322 N -1.27 4.12 3.58 5.77 0.00 0.13 -4.47 105.19 113.05 1upm n GLY 322 Ca -0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 1upm n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1upm s GLY 323 N 0.00 -0.24 0.14 -0.02 0.00 -1.25 -4.78 107.32 101.17 1upm s GLY 323 Ca 0.00 1.93 0.18 0.00 0.00 0.00 0.00 44.72 46.82 1upm s GLY 323 CO 0.00 0.83 1.01 -0.55 0.00 0.00 0.00 173.10 174.39 1upm h ASP 324 N 2.27 0.00 -4.41 1.64 3.32 -1.35 -3.40 116.42 114.49 1upm h ASP 324 Ca -0.15 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.53 1upm h ASP 324 Cb 1.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.49 1upm h ASP 324 CO 0.28 0.45 -0.77 -1.00 -1.72 0.00 0.00 179.24 176.48 1upm s HIS 325 N -3.01 0.95 -0.03 4.55 3.76 -1.05 -2.09 115.29 118.37 1upm s HIS 325 Ca -0.01 -0.37 -0.05 0.00 -0.15 0.00 0.00 55.06 54.48 1upm s HIS 325 Cb 0.08 -0.56 0.01 0.00 1.11 0.00 0.00 32.58 33.22 1upm s HIS 325 CO 0.79 -0.00 0.13 -1.50 -0.85 0.00 0.00 174.74 173.31 1upm s ILE 326 N -0.94 0.04 0.23 0.60 2.07 -0.67 -1.38 121.20 121.15 1upm s ILE 326 Ca -0.02 -0.30 -0.30 0.00 -1.41 0.00 0.00 60.65 58.62 1upm s ILE 326 Cb -0.08 -0.29 -0.10 0.00 0.13 0.00 0.00 42.46 42.13 1upm s ILE 326 CO 0.01 -0.16 1.39 -1.00 -1.91 0.00 0.00 174.94 173.26 1upm s HIS 327 N -0.53 3.12 -0.03 3.50 3.76 -1.17 -0.31 115.29 123.62 1upm s HIS 327 Ca -0.06 1.11 0.01 0.00 -0.15 0.00 0.00 55.06 55.97 1upm s HIS 327 Cb -0.04 -3.73 -0.01 0.00 1.11 0.00 0.00 32.58 29.91 1upm s HIS 327 CO 0.01 -2.34 0.03 -1.13 -0.85 0.00 0.00 174.74 170.46 1upm n SER 328 N 2.44 1.35 0.00 1.40 3.41 -0.46 -4.77 113.62 116.99 1upm n SER 328 Ca 0.06 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1upm n SER 328 Cb 0.41 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 1upm n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upm n GLY 329 N 1.41 1.39 0.00 5.00 0.00 -1.25 -4.90 105.19 106.85 1upm n GLY 329 Ca 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 46.02 43.99 1upm n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upm n THR 330 N 1.14 0.00 0.00 2.61 -2.24 -1.26 -4.37 114.28 110.16 1upm n THR 330 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1upm n THR 330 Cb 0.00 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1upm n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1upm n VAL 331 N -1.34 0.00 1.10 2.28 0.31 -1.25 -4.37 118.33 115.05 1upm n VAL 331 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1upm n VAL 331 Cb 0.09 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.39 1upm n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1upm n VAL 332 N 0.00 0.00 -0.67 2.52 0.24 -1.26 -4.63 118.33 114.53 1upm n VAL 332 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1upm n VAL 332 Cb 0.00 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1upm n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1upm n GLY 333 N 1.44 1.71 0.13 7.63 0.00 -1.26 -4.26 105.19 110.58 1upm n GLY 333 Ca 0.08 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.43 1upm n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1upm h LYS 334 N 0.00 0.00 -6.37 1.61 2.10 -1.39 -3.44 116.57 109.08 1upm h LYS 334 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 1upm h LYS 334 Cb 0.00 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.20 1upm h LYS 334 CO 0.00 0.00 -0.71 -0.51 -2.00 0.00 0.00 179.45 176.23 1upm s LEU 335 N -5.04 2.98 0.34 7.07 1.43 -1.26 -5.06 118.68 119.15 1upm s LEU 335 Ca 0.08 -0.63 -0.28 0.00 -1.03 0.00 0.00 54.13 52.27 1upm s LEU 335 Cb 0.10 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 1upm s LEU 335 CO 0.65 0.08 1.18 -0.70 0.23 0.00 0.00 176.35 177.79 1upm s GLU 336 N -3.07 4.33 0.00 1.70 2.12 -1.26 -4.68 118.70 117.84 1upm s GLU 336 Ca 0.27 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.52 1upm s GLU 336 Cb -0.08 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.36 1upm s GLU 336 CO 0.16 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 1upm n GLY 337 N 0.85 0.16 3.75 -1.50 0.00 -1.26 -4.84 105.19 102.35 1upm n GLY 337 Ca 0.01 0.72 -0.40 0.00 0.00 0.00 0.00 46.02 46.35 1upm n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upm s GLU 338 N 0.00 4.81 0.16 1.61 0.41 -1.26 -3.97 118.70 120.47 1upm s GLU 338 Ca 0.00 1.44 -0.20 0.00 -0.41 0.00 0.00 54.97 55.80 1upm s GLU 338 Cb 0.00 -3.28 0.08 0.00 -1.78 0.00 0.00 34.13 29.15 1upm s GLU 338 CO 0.00 0.51 1.63 -0.09 -0.49 0.00 0.00 175.26 176.82 1upm h ARG 339 N 4.25 -0.15 -0.21 1.61 2.43 -1.98 -1.76 114.38 118.58 1upm h ARG 339 Ca -0.45 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.58 1upm h ARG 339 Cb 1.20 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1upm h ARG 339 CO 0.68 -0.10 -0.46 -0.44 -1.51 0.00 0.00 179.97 178.14 1upm h ASP 340 N -0.16 0.77 -0.69 -3.80 3.32 -1.94 -1.47 116.42 112.45 1upm h ASP 340 Ca 0.18 -0.56 0.01 0.00 0.02 0.00 0.00 57.03 56.68 1upm h ASP 340 Cb 0.43 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1upm h ASP 340 CO -0.45 1.18 0.46 0.40 -1.72 0.00 0.00 179.24 179.11 1upm h ILE 341 N 0.38 1.18 -0.14 0.35 2.04 -1.73 -2.24 117.51 117.35 1upm h ILE 341 Ca 0.00 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 1upm h ILE 341 Cb 1.07 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1upm h ILE 341 CO 0.10 0.17 -0.27 0.74 0.00 0.00 0.00 178.15 178.89 1upm h THR 342 N 0.94 1.37 -0.77 -0.27 2.02 -1.10 -2.40 112.91 112.69 1upm h THR 342 Ca 0.25 -1.53 0.04 0.00 0.77 0.00 0.00 66.41 65.94 1upm h THR 342 Cb -0.11 2.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 1upm h THR 342 CO -0.05 0.45 0.48 -0.07 0.37 0.00 0.00 175.52 176.70 1upm h LEU 343 N 0.04 0.77 -0.13 2.58 4.07 -1.20 0.97 115.31 122.41 1upm h LEU 343 Ca 0.01 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.02 1upm h LEU 343 Cb 0.86 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.39 1upm h LEU 343 CO 0.06 0.52 -0.26 1.23 -1.08 0.00 0.00 178.44 178.91 1upm h GLY 344 N 0.91 -0.29 1.73 0.83 0.00 -1.23 -2.17 103.07 102.84 1upm h GLY 344 Ca 0.32 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1upm h GLY 344 CO -0.14 -0.20 -0.25 0.27 0.00 0.00 0.00 176.54 176.22 1upm h PHE 345 N -0.32 0.00 -0.53 5.60 -5.15 -1.15 -2.15 116.94 113.24 1upm h PHE 345 Ca 0.10 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.86 1upm h PHE 345 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.62 1upm h PHE 345 CO -0.35 0.00 0.27 0.28 -2.00 0.00 0.00 178.31 176.51 1upm h VAL 346 N 0.00 1.19 -0.70 0.88 2.07 -0.72 -2.06 116.25 116.91 1upm h VAL 346 Ca 0.00 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1upm h VAL 346 Cb 0.94 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1upm h VAL 346 CO 0.00 0.20 0.17 0.44 0.02 0.00 0.00 177.57 178.41 1upm h ASP 347 N 0.70 1.05 0.03 0.57 3.32 -1.19 -1.73 116.42 119.16 1upm h ASP 347 Ca 0.18 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1upm h ASP 347 Cb 0.08 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1upm h ASP 347 CO -0.03 1.00 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.42 1upm h LEU 348 N 1.05 0.00 0.04 1.55 3.38 -1.21 -2.09 115.31 118.03 1upm h LEU 348 Ca 0.22 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.85 1upm h LEU 348 Cb 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1upm h LEU 348 CO 0.00 0.01 -1.98 0.18 0.09 0.00 0.00 178.44 176.73 1upm n LEU 349 N -3.53 1.53 -0.02 1.67 4.77 -0.73 -4.62 117.00 116.07 1upm n LEU 349 Ca -0.03 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 1upm n LEU 349 Cb 0.09 -0.31 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 1upm n LEU 349 CO 0.25 0.61 -0.67 0.54 -1.33 0.00 0.00 177.39 176.79 1upm n ARG 350 N -3.16 0.65 -4.10 3.23 1.74 -0.76 -1.29 116.66 112.97 1upm n ARG 350 Ca -0.27 0.10 -0.22 0.00 -0.77 0.00 0.00 57.85 56.69 1upm n ARG 350 Cb 1.06 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.78 1upm n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1upm s ASP 351 N -5.54 5.39 0.37 0.55 1.01 -0.79 -4.47 116.67 113.18 1upm s ASP 351 Ca -0.06 -0.32 0.20 0.00 0.71 0.00 0.00 52.55 53.07 1upm s ASP 351 Cb 0.09 -1.29 0.26 0.00 1.01 0.00 0.00 42.92 42.98 1upm s ASP 351 CO 0.83 -0.07 1.55 -0.78 0.21 0.00 0.00 175.17 176.91 1upm h ASP 352 N 1.50 0.00 -3.36 0.27 3.58 -1.91 -3.45 116.42 113.06 1upm h ASP 352 Ca -0.48 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.86 1upm h ASP 352 Cb 1.24 0.00 -0.26 0.00 1.72 0.00 0.00 39.33 42.03 1upm h ASP 352 CO 0.60 0.24 -0.27 -0.47 -2.88 0.00 0.00 179.24 176.46 1upm s TYR 353 N -3.12 -0.59 -0.04 0.28 5.04 -1.26 -0.90 117.35 116.76 1upm s TYR 353 Ca 0.05 1.29 -0.01 0.00 -2.44 0.00 0.00 57.07 55.95 1upm s TYR 353 Cb 0.06 0.26 0.03 0.00 0.35 0.00 0.00 41.96 42.66 1upm s TYR 353 CO 0.70 -0.32 0.05 0.99 -1.34 0.00 0.00 175.55 175.62 1upm s THR 354 N 1.15 -0.05 0.31 4.34 2.01 -0.39 -5.02 115.64 118.00 1upm s THR 354 Ca -0.08 0.34 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 1upm s THR 354 Cb -0.07 -0.17 -0.10 0.00 0.01 0.00 0.00 72.50 72.17 1upm s THR 354 CO -0.10 0.17 0.92 -0.70 -0.69 0.00 0.00 174.62 174.22 1upm s GLU 355 N 1.86 4.55 -0.02 4.92 2.12 -1.26 -1.01 118.70 129.86 1upm s GLU 355 Ca 0.01 1.29 -0.35 0.00 0.36 0.00 0.00 54.97 56.28 1upm s GLU 355 Cb -0.12 -2.81 -0.17 0.00 0.26 0.00 0.00 34.13 31.28 1upm s GLU 355 CO -0.03 0.29 0.95 1.17 -0.54 0.00 0.00 175.26 177.10 1upm n LYS 356 N 0.58 0.00 -3.22 4.30 4.81 -1.25 -4.79 118.16 118.59 1upm n LYS 356 Ca 0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.42 1upm n LYS 356 Cb 0.50 -1.30 -0.02 0.00 0.02 0.00 0.00 35.03 34.23 1upm n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1upm s ASP 357 N 0.14 -0.93 0.47 3.14 2.15 -0.23 -4.96 116.67 116.45 1upm s ASP 357 Ca 0.79 -1.04 0.18 0.00 0.43 0.00 0.00 52.55 52.92 1upm s ASP 357 Cb -1.11 1.64 1.16 0.00 -0.30 0.00 0.00 42.92 44.31 1upm s ASP 357 CO 0.51 -0.18 2.03 0.03 -0.17 0.00 0.00 175.17 177.38 1upm h ARG 358 N 6.87 0.00 0.00 4.34 2.47 -1.92 -0.06 114.38 126.08 1upm h ARG 358 Ca 0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1upm h ARG 358 Cb 1.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1upm h ARG 358 CO 0.12 0.16 -0.06 0.66 0.56 0.00 0.00 179.97 181.41 1upm h SER 359 N 0.00 0.00 -0.43 7.04 4.64 -1.96 -1.47 113.55 121.37 1upm h SER 359 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1upm h SER 359 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1upm h SER 359 CO 0.02 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.58 1upm n ARG 360 N -3.48 3.17 -1.04 4.77 1.74 -0.12 -4.75 116.66 116.94 1upm n ARG 360 Ca -0.02 -2.56 -0.02 0.00 -0.77 0.00 0.00 57.85 54.48 1upm n ARG 360 Cb 0.18 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 1upm n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1upm n GLY 361 N 0.46 0.52 3.48 -0.13 0.00 -0.55 -4.39 105.19 104.59 1upm n GLY 361 Ca 0.19 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1upm n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upm s ILE 362 N -1.97 4.58 -0.40 -0.61 1.01 -0.68 -4.90 121.20 118.22 1upm s ILE 362 Ca 0.00 -0.12 0.22 0.00 0.00 0.00 0.00 60.65 60.75 1upm s ILE 362 Cb 0.00 -4.46 0.30 0.00 0.01 0.00 0.00 42.46 38.31 1upm s ILE 362 CO 0.00 -1.04 1.58 1.88 0.00 0.00 0.00 174.94 177.36 1upm h TYR 363 N 9.22 0.00 -3.86 3.97 -1.99 -1.93 -0.59 116.97 121.78 1upm h TYR 363 Ca -0.27 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.26 1upm h TYR 363 Cb 1.08 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 39.57 1upm h TYR 363 CO 0.85 0.06 -0.71 -0.06 -0.00 0.00 0.00 178.16 178.31 1upm s PHE 364 N -3.18 0.14 0.16 4.88 0.08 -1.26 -4.91 117.98 113.89 1upm s PHE 364 Ca 0.06 -0.28 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 1upm s PHE 364 Cb 0.05 -0.10 -0.08 0.00 -0.57 0.00 0.00 43.02 42.32 1upm s PHE 364 CO 0.68 -0.10 1.24 0.99 -0.10 0.00 0.00 175.22 177.93 1upm s THR 365 N -0.78 3.55 -0.05 0.64 2.01 -1.26 -3.90 115.64 115.85 1upm s THR 365 Ca -0.08 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.17 1upm s THR 365 Cb -0.05 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1upm s THR 365 CO -0.01 0.17 -0.09 -1.58 -0.69 0.00 0.00 174.62 172.43 1upm s GLN 366 N 0.17 1.26 0.04 4.92 2.00 -0.18 -4.88 119.66 122.99 1upm s GLN 366 Ca 0.56 -0.27 0.07 0.00 -2.00 0.00 0.00 55.36 53.72 1upm s GLN 366 Cb -0.33 -1.11 -0.03 0.00 0.80 0.00 0.00 33.01 32.33 1upm s GLN 366 CO 0.35 -0.01 -0.18 -1.12 -0.50 0.00 0.00 175.29 173.83 1upm s SER 367 N 0.74 3.82 0.00 6.67 0.01 -1.26 -1.26 113.70 122.41 1upm s SER 367 Ca -0.13 -0.42 0.08 0.00 1.31 0.00 0.00 55.95 56.79 1upm s SER 367 Cb -0.15 -0.62 0.10 0.00 0.21 0.00 0.00 66.02 65.57 1upm s SER 367 CO 0.02 0.25 0.86 0.79 0.41 0.00 0.00 173.24 175.57 1upm n TRP 368 N 1.53 0.08 -4.01 2.43 7.02 -0.08 -4.70 117.44 119.71 1upm n TRP 368 Ca -0.16 -0.13 -0.29 0.00 -1.02 0.00 0.00 57.50 55.91 1upm n TRP 368 Cb 0.52 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.34 1upm n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1upm n VAL 369 N 0.39 -1.11 -0.93 -0.99 0.24 -1.26 -0.34 118.33 114.32 1upm n VAL 369 Ca 0.06 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1upm n VAL 369 Cb 0.24 -1.04 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1upm n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1upm n SER 370 N -2.17 -3.65 -4.62 -1.34 7.64 -1.26 -4.99 113.62 103.22 1upm n SER 370 Ca -0.23 0.00 -0.63 0.00 1.01 0.00 0.00 58.87 59.02 1upm n SER 370 Cb 0.55 -2.05 -0.09 0.00 -1.01 0.00 0.00 64.21 61.61 1upm n SER 370 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1upm n THR 371 N -2.33 0.00 -1.56 0.44 -1.04 0.54 -4.88 114.28 105.46 1upm n THR 371 Ca 0.00 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1upm n THR 371 Cb 0.22 -0.25 0.05 0.00 -1.82 0.00 0.00 70.33 68.53 1upm n THR 371 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1upm n PRO 372 N 2.68 0.75 -3.03 -2.82 -0.02 -1.26 -4.91 135.00 126.38 1upm n PRO 372 Ca 0.25 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 1upm n PRO 372 Cb 0.02 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1upm n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1upm s GLY 373 N -1.21 2.18 -0.17 -1.23 0.00 -1.26 -4.64 107.32 100.99 1upm s GLY 373 Ca 0.73 -0.06 -0.13 0.00 0.00 0.00 0.00 44.72 45.26 1upm s GLY 373 CO 0.50 0.14 0.25 0.14 0.00 0.00 0.00 173.10 174.13 1upm s VAL 374 N -2.13 5.33 -0.05 1.40 1.01 -0.41 -1.82 120.40 123.73 1upm s VAL 374 Ca 0.53 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1upm s VAL 374 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1upm s VAL 374 CO 0.23 0.40 1.42 -0.22 0.00 0.00 0.00 175.10 176.93 1upm s LEU 375 N 0.46 4.29 0.24 3.92 2.96 -0.89 -4.17 118.68 125.49 1upm s LEU 375 Ca 0.14 2.03 -0.30 0.00 -0.22 0.00 0.00 54.13 55.79 1upm s LEU 375 Cb -0.12 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 1upm s LEU 375 CO 0.02 -0.77 1.05 -2.16 -1.32 0.00 0.00 176.35 173.17 1upm s PRO 376 N 3.01 4.69 -0.19 0.98 0.04 -1.26 -1.67 135.00 140.61 1upm s PRO 376 Ca 0.64 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 1upm s PRO 376 Cb -0.29 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1upm s PRO 376 CO 0.24 0.27 -0.12 0.08 0.04 0.00 0.00 177.00 177.51 1upm s VAL 377 N -0.93 2.78 -0.26 -0.36 1.01 0.58 -0.91 120.40 122.30 1upm s VAL 377 Ca 0.45 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1upm s VAL 377 Cb -0.29 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1upm s VAL 377 CO 0.37 0.49 0.18 0.00 0.00 0.00 0.00 175.10 176.13 1upm s ALA 378 N 1.23 3.57 -0.06 5.51 0.00 0.66 -1.35 121.76 131.32 1upm s ALA 378 Ca 0.03 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 1upm s ALA 378 Cb -0.14 -2.41 0.05 0.00 0.00 0.00 0.00 23.12 20.62 1upm s ALA 378 CO -0.05 -0.38 0.51 0.45 0.00 0.00 0.00 175.76 176.29 1upm s SER 379 N 1.42 -0.46 0.00 0.00 0.15 -1.26 -0.62 113.70 112.92 1upm s SER 379 Ca 0.07 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1upm s SER 379 Cb -0.15 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1upm s SER 379 CO 0.08 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1upm n GLY 380 N 1.38 1.40 1.35 9.45 0.00 -1.26 -4.58 105.19 112.93 1upm n GLY 380 Ca -0.19 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1upm n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 381 N 0.01 0.83 3.72 -0.02 0.00 -1.26 -1.30 105.19 107.17 1upm n GLY 381 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 1upm n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upm s ILE 382 N -2.00 3.92 0.34 -0.61 -4.36 -1.26 -4.32 121.20 112.90 1upm s ILE 382 Ca 0.00 -1.62 -0.04 0.00 -0.26 0.00 0.00 60.65 58.73 1upm s ILE 382 Cb 0.00 -3.09 0.02 0.00 1.25 0.00 0.00 42.46 40.64 1upm s ILE 382 CO 0.00 -0.32 0.50 0.00 0.24 0.00 0.00 174.94 175.36 1upm n HIS 383 N -0.89 -1.53 -0.34 1.37 1.44 -1.26 -4.39 115.22 109.62 1upm n HIS 383 Ca -0.07 -2.13 0.19 0.00 -2.01 0.00 0.00 57.72 53.69 1upm n HIS 383 Cb 0.58 0.57 0.40 0.00 0.12 0.00 0.00 29.99 31.66 1upm n HIS 383 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1upm h VAL 384 N 1.95 0.45 0.00 0.61 -1.51 -1.92 -1.37 116.25 114.46 1upm h VAL 384 Ca -0.26 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 65.03 1upm h VAL 384 Cb 1.12 -0.06 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1upm h VAL 384 CO 0.35 0.09 -0.08 -0.50 -1.23 0.00 0.00 177.57 176.20 1upm h TRP 385 N 0.47 0.00 0.00 5.19 4.06 -1.94 -1.06 115.95 122.67 1upm h TRP 385 Ca 0.66 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.61 1upm h TRP 385 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.49 1upm h TRP 385 CO -0.03 0.08 0.00 0.72 -3.56 0.00 0.00 178.44 175.65 1upm n HIS 386 N -3.24 0.00 -0.03 0.49 8.25 -0.52 -4.45 115.22 115.73 1upm n HIS 386 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1upm n HIS 386 Cb 0.33 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 1upm n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1upm h MET 387 N 0.00 0.13 -0.44 -0.41 -1.53 -1.26 -1.95 114.93 109.48 1upm h MET 387 Ca 0.00 -0.01 0.07 0.00 -3.44 0.00 0.00 59.70 56.32 1upm h MET 387 Cb 0.32 -0.03 -0.06 0.00 -0.55 0.00 0.00 31.60 31.28 1upm h MET 387 CO 0.00 0.09 0.08 -1.35 0.14 0.00 0.00 176.91 175.87 1upm h PRO 388 N 0.14 0.21 -0.52 0.39 0.11 -1.81 -0.42 132.00 130.10 1upm h PRO 388 Ca 0.07 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 1upm h PRO 388 Cb 0.03 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1upm h PRO 388 CO -0.06 0.14 -0.13 0.00 -0.21 0.00 0.00 178.00 177.73 1upm h ALA 389 N 1.34 0.79 -0.06 -0.75 0.00 -1.75 -1.64 119.26 117.18 1upm h ALA 389 Ca 0.21 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1upm h ALA 389 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1upm h ALA 389 CO -0.28 0.67 0.04 -0.07 0.00 0.00 0.00 179.25 179.60 1upm h LEU 390 N 0.88 0.07 -1.09 0.00 3.38 -0.96 -1.04 115.31 116.55 1upm h LEU 390 Ca 0.13 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1upm h LEU 390 Cb 0.69 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1upm h LEU 390 CO 0.05 0.11 0.62 0.74 0.09 0.00 0.00 178.44 180.04 1upm h THR 391 N 0.04 1.16 -0.53 0.22 2.02 -0.98 -1.35 112.91 113.49 1upm h THR 391 Ca 0.02 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 1upm h THR 391 Cb 0.05 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.31 1upm h THR 391 CO -0.00 0.22 -0.10 -0.08 0.37 0.00 0.00 175.52 175.92 1upm h GLU 392 N 1.18 0.98 -0.06 6.66 4.22 -1.26 -1.02 114.58 125.30 1upm h GLU 392 Ca 0.37 -0.35 -0.10 0.00 0.08 0.00 0.00 59.36 59.35 1upm h GLU 392 Cb 0.01 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1upm h GLU 392 CO -0.11 1.03 -0.37 0.82 -2.18 0.00 0.00 179.01 178.20 1upm h ILE 393 N 0.88 1.43 0.00 2.32 2.04 -0.75 -3.38 117.51 120.05 1upm h ILE 393 Ca 0.14 -1.81 -0.36 0.00 1.00 0.00 0.00 64.86 63.83 1upm h ILE 393 Cb 0.66 2.39 -0.07 0.00 -0.74 0.00 0.00 36.82 39.06 1upm h ILE 393 CO 0.05 0.52 -2.37 0.49 0.00 0.00 0.00 178.15 176.84 1upm n PHE 394 N -4.38 0.00 -4.37 1.37 3.72 -0.55 -5.02 117.46 108.23 1upm n PHE 394 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1upm n PHE 394 Cb 0.54 -0.98 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 1upm n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upm n GLY 395 N 1.82 -1.39 0.37 1.37 0.00 -0.39 -4.32 105.19 102.66 1upm n GLY 395 Ca -0.34 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.42 1upm n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1upm h ASP 396 N 0.00 1.14 -1.33 1.61 3.32 -1.89 -3.34 116.42 115.93 1upm h ASP 396 Ca 0.00 -0.07 -0.72 0.00 0.02 0.00 0.00 57.03 56.26 1upm h ASP 396 Cb 0.00 -0.29 -0.13 0.00 0.22 0.00 0.00 39.33 39.14 1upm h ASP 396 CO 0.00 0.87 2.00 0.47 -1.72 0.00 0.00 179.24 180.86 1upm n ASP 397 N -4.36 4.92 -3.86 6.45 8.00 -1.26 -2.63 116.55 123.81 1upm n ASP 397 Ca 0.11 -2.98 -0.08 0.00 0.71 0.00 0.00 54.79 52.55 1upm n ASP 397 Cb 0.06 -1.61 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 1upm n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1upm s SER 398 N 2.75 -0.22 -0.12 -2.24 1.04 -1.25 -4.23 113.70 109.42 1upm s SER 398 Ca 0.45 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1upm s SER 398 Cb 0.04 0.66 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 1upm s SER 398 CO 0.01 -1.23 -0.19 -0.69 0.98 0.00 0.00 173.24 172.12 1upm s VAL 399 N -3.93 2.51 -0.25 5.02 1.01 -0.09 -0.99 120.40 123.68 1upm s VAL 399 Ca 0.14 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1upm s VAL 399 Cb -0.03 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1upm s VAL 399 CO 0.05 0.54 0.06 -0.76 0.00 0.00 0.00 175.10 175.00 1upm s LEU 400 N 0.45 3.45 -0.18 3.92 1.43 0.75 -0.24 118.68 128.25 1upm s LEU 400 Ca -0.13 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1upm s LEU 400 Cb -0.17 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1upm s LEU 400 CO 0.06 -0.05 -0.06 -1.10 0.23 0.00 0.00 176.35 175.43 1upm s GLN 401 N 1.60 3.47 -0.42 1.70 -0.21 0.20 -1.42 119.66 124.59 1upm s GLN 401 Ca 0.06 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 54.87 1upm s GLN 401 Cb -0.15 -2.89 0.11 0.00 1.00 0.00 0.00 33.01 31.08 1upm s GLN 401 CO 0.03 0.03 0.15 -0.06 -2.12 0.00 0.00 175.29 173.33 1upm s PHE 402 N 0.88 3.20 0.00 0.91 0.08 -0.52 -4.29 117.98 118.23 1upm s PHE 402 Ca -0.01 -2.91 0.00 0.00 0.12 0.00 0.00 56.93 54.13 1upm s PHE 402 Cb -0.15 -2.69 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 1upm s PHE 402 CO 0.01 -0.85 0.05 0.41 -0.10 0.00 0.00 175.22 174.74 1upm n GLY 403 N 3.79 1.13 0.31 4.36 0.00 -1.26 -2.91 105.19 110.61 1upm n GLY 403 Ca 0.04 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.27 1upm n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 404 N 2.24 -1.03 0.00 -0.02 0.00 -1.26 -0.83 105.19 104.28 1upm n GLY 404 Ca 0.00 0.85 0.10 0.00 0.00 0.00 0.00 46.02 46.97 1upm n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 405 N -1.38 -0.88 0.58 -0.02 0.00 -1.26 0.04 105.19 102.28 1upm n GLY 405 Ca 0.28 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1upm n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1upm n THR 406 N -1.20 0.59 1.30 2.61 -1.04 -0.01 -4.71 114.28 111.82 1upm n THR 406 Ca 0.12 -0.16 0.14 0.00 -2.04 0.00 0.00 64.05 62.11 1upm n THR 406 Cb 0.14 -1.54 0.69 0.00 -1.82 0.00 0.00 70.33 67.81 1upm n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1upm n LEU 407 N -3.38 0.07 -0.99 -4.42 4.32 -0.05 -2.78 117.00 109.77 1upm n LEU 407 Ca -0.21 0.30 0.10 0.00 -0.02 0.00 0.00 56.01 56.18 1upm n LEU 407 Cb 0.66 -0.33 0.26 0.00 -1.62 0.00 0.00 43.42 42.39 1upm n LEU 407 CO 0.02 0.01 0.72 0.61 -1.22 0.00 0.00 177.39 177.54 1upm n GLY 408 N 1.35 1.44 3.77 -0.72 0.00 0.11 -4.92 105.19 106.21 1upm n GLY 408 Ca 0.12 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1upm n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1upm s HIS 409 N -1.39 3.60 0.56 1.61 5.04 -1.12 -4.93 115.29 118.66 1upm s HIS 409 Ca 0.37 1.74 0.25 0.00 -1.54 0.00 0.00 55.06 55.88 1upm s HIS 409 Cb 0.20 -3.13 1.58 0.00 0.04 0.00 0.00 32.58 31.27 1upm s HIS 409 CO 0.27 -0.25 2.15 -1.00 -2.34 0.00 0.00 174.74 173.57 1upm h PRO 410 N 3.43 0.00 -0.39 2.88 0.13 -1.92 -2.39 132.00 133.75 1upm h PRO 410 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1upm h PRO 410 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1upm h PRO 410 CO 0.66 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.34 1upm n TRP 411 N -4.08 0.50 -0.08 1.56 8.01 -1.26 -5.09 117.44 117.00 1upm n TRP 411 Ca -0.00 -0.29 0.00 0.00 -1.31 0.00 0.00 57.50 55.90 1upm n TRP 411 Cb 0.21 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 1upm n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1upm n GLY 412 N 1.31 -3.75 0.26 6.99 0.00 -0.90 -4.67 105.19 104.42 1upm n GLY 412 Ca 0.18 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 1upm n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1upm h ASN 413 N 0.00 0.87 0.20 1.61 4.21 -1.87 -1.09 115.58 119.51 1upm h ASN 413 Ca 0.00 -0.34 -0.01 0.00 1.21 0.00 0.00 56.30 57.16 1upm h ASN 413 Cb 0.00 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 36.97 1upm h ASN 413 CO 0.00 1.00 -0.10 0.00 -1.29 0.00 0.00 177.43 177.04 1upm h ALA 414 N 0.90 -0.27 -0.59 -0.83 0.00 -1.85 -0.10 119.26 116.51 1upm h ALA 414 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1upm h ALA 414 Cb 0.59 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1upm h ALA 414 CO 0.04 -0.59 0.31 -1.35 0.00 0.00 0.00 179.25 177.66 1upm h PRO 415 N -0.40 0.82 -0.56 0.00 0.11 -1.82 -0.48 132.00 129.67 1upm h PRO 415 Ca -0.03 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.01 1upm h PRO 415 Cb 0.30 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 1upm h PRO 415 CO 0.05 0.61 0.35 0.78 -0.21 0.00 0.00 178.00 179.58 1upm h GLY 416 N 0.90 0.80 0.74 -0.55 0.00 -0.80 -1.23 103.07 102.93 1upm h GLY 416 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1upm h GLY 416 CO -0.03 0.24 -0.00 0.00 0.00 0.00 0.00 176.54 176.74 1upm h ALA 417 N 1.24 0.11 -0.39 3.60 0.00 -0.26 -2.65 119.26 120.92 1upm h ALA 417 Ca 0.22 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1upm h ALA 417 Cb -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1upm h ALA 417 CO -0.08 -0.21 -0.18 0.28 0.00 0.00 0.00 179.25 179.06 1upm h VAL 418 N -0.13 0.46 -0.49 0.00 2.07 -0.58 -0.96 116.25 116.62 1upm h VAL 418 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1upm h VAL 418 Cb 0.35 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1upm h VAL 418 CO 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.44 1upm h ALA 419 N 1.19 0.27 -0.39 1.67 0.00 -1.20 0.61 119.26 121.41 1upm h ALA 419 Ca 0.19 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 1upm h ALA 419 Cb 0.40 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1upm h ALA 419 CO -0.46 -0.47 -0.13 -0.91 0.00 0.00 0.00 179.25 177.28 1upm h ASN 420 N -0.03 0.70 -0.05 0.00 -0.26 -1.02 -0.95 115.58 113.97 1upm h ASN 420 Ca 0.23 -0.21 -0.03 0.00 -0.56 0.00 0.00 56.30 55.73 1upm h ASN 420 Cb 0.39 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1upm h ASN 420 CO -0.52 0.85 -0.10 -0.09 -1.06 0.00 0.00 177.43 176.51 1upm h ARG 421 N 0.64 0.16 -0.67 0.81 9.65 -0.33 -2.05 114.38 122.58 1upm h ARG 421 Ca 0.11 -0.10 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1upm h ARG 421 Cb 0.59 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.12 1upm h ARG 421 CO 0.04 0.68 0.35 0.28 2.80 0.00 0.00 179.97 184.12 1upm h VAL 422 N -0.34 0.91 -0.46 0.20 2.07 -0.97 -1.21 116.25 116.44 1upm h VAL 422 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1upm h VAL 422 Cb 0.67 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1upm h VAL 422 CO 0.02 0.11 0.30 0.00 0.02 0.00 0.00 177.57 178.03 1upm h ALA 423 N 1.38 0.59 -0.20 1.67 0.00 -1.08 -0.65 119.26 120.96 1upm h ALA 423 Ca 0.31 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1upm h ALA 423 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1upm h ALA 423 CO -0.22 0.05 -0.10 1.25 0.00 0.00 0.00 179.25 180.23 1upm h LEU 424 N 0.63 0.44 -0.90 0.00 5.85 -1.14 -2.08 115.31 118.11 1upm h LEU 424 Ca 0.17 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1upm h LEU 424 Cb -0.06 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1upm h LEU 424 CO -0.04 0.76 0.59 -0.33 -0.34 0.00 0.00 178.44 179.09 1upm h GLU 425 N 0.13 1.15 -0.62 1.25 5.08 -1.10 -0.29 114.58 120.18 1upm h GLU 425 Ca 0.05 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1upm h GLU 425 Cb 0.59 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1upm h GLU 425 CO 0.03 0.76 0.37 0.00 -1.00 0.00 0.00 179.01 179.18 1upm h ALA 426 N 1.35 0.81 -0.37 3.43 0.00 -1.03 0.13 119.26 123.59 1upm h ALA 426 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1upm h ALA 426 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1upm h ALA 426 CO -0.09 0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.45 1upm h VAL 428 N 0.46 1.18 -0.41 0.00 2.07 -0.59 -1.06 116.25 117.90 1upm h VAL 428 Ca 0.13 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1upm h VAL 428 Cb 0.09 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1upm h VAL 428 CO -0.02 0.18 0.14 -0.61 0.02 0.00 0.00 177.57 177.29 1upm h GLN 429 N 0.25 0.30 -0.33 1.57 4.15 -0.77 -1.50 115.11 118.78 1upm h GLN 429 Ca 0.08 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1upm h GLN 429 Cb 0.20 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1upm h GLN 429 CO -0.01 0.20 0.01 0.00 -1.93 0.00 0.00 178.83 177.10 1upm h ALA 430 N 1.27 0.45 -0.52 3.38 0.00 -1.23 -0.59 119.26 122.02 1upm h ALA 430 Ca 0.19 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1upm h ALA 430 Cb 0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1upm h ALA 430 CO -0.20 0.20 0.16 -0.09 0.00 0.00 0.00 179.25 179.33 1upm h ARG 431 N 0.39 0.32 -0.03 0.00 2.43 -1.10 -0.44 114.38 115.94 1upm h ARG 431 Ca 0.10 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1upm h ARG 431 Cb 0.44 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1upm h ARG 431 CO 0.02 0.21 -0.42 -0.91 -1.51 0.00 0.00 179.97 177.35 1upm h ASN 432 N 0.32 0.07 -0.00 -3.80 -0.26 -0.70 -1.03 115.58 110.18 1upm h ASN 432 Ca 0.26 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1upm h ASN 432 Cb 0.31 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1upm h ASN 432 CO -0.28 0.49 0.00 -0.62 -1.06 0.00 0.00 177.43 175.96 1upm n GLU 433 N -4.03 1.03 -0.01 0.81 1.02 -0.28 -4.92 120.64 114.27 1upm n GLU 433 Ca -0.02 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1upm n GLU 433 Cb 0.46 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1upm n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1upm n GLY 434 N 0.90 0.19 3.76 0.62 0.00 -0.39 -5.06 105.19 105.21 1upm n GLY 434 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1upm n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upm s ARG 435 N -0.98 2.99 -0.36 1.61 0.52 -0.20 -4.97 118.95 117.55 1upm s ARG 435 Ca 0.00 1.68 -0.18 0.00 -0.52 0.00 0.00 55.73 56.72 1upm s ARG 435 Cb 0.00 -1.95 -0.00 0.00 0.52 0.00 0.00 34.95 33.52 1upm s ARG 435 CO 0.00 -1.16 0.49 0.34 0.02 0.00 0.00 175.30 174.99 1upm s ASP 436 N -1.85 6.28 0.18 0.23 -1.08 -1.26 -4.31 116.67 114.86 1upm s ASP 436 Ca 0.74 -0.16 -0.06 0.00 -0.52 0.00 0.00 52.55 52.55 1upm s ASP 436 Cb -0.27 -2.25 0.07 0.00 -1.46 0.00 0.00 42.92 39.00 1upm s ASP 436 CO 0.34 -0.49 1.51 -0.07 0.52 0.00 0.00 175.17 176.98 1upm h LEU 437 N 9.07 0.80 -0.69 -1.34 3.38 -1.94 0.25 115.31 124.84 1upm h LEU 437 Ca -0.28 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.36 1upm h LEU 437 Cb 1.12 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1upm h LEU 437 CO 0.77 1.12 0.40 0.00 0.09 0.00 0.00 178.44 180.82 1upm h ALA 438 N 0.91 0.92 0.00 1.53 0.00 -1.93 -2.52 119.26 118.17 1upm h ALA 438 Ca 0.04 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 1upm h ALA 438 Cb 1.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1upm h ALA 438 CO 0.09 0.10 -1.84 0.54 0.00 0.00 0.00 179.25 178.14 1upm n ARG 439 N -4.75 0.64 -0.18 0.00 1.74 -1.03 -4.40 116.66 108.68 1upm n ARG 439 Ca 0.08 0.24 0.08 0.00 -0.77 0.00 0.00 57.85 57.48 1upm n ARG 439 Cb 0.16 -1.74 0.18 0.00 -1.02 0.00 0.00 32.46 30.03 1upm n ARG 439 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1upm n GLU 440 N -2.99 2.40 -0.20 5.56 1.02 0.84 -4.75 120.64 122.52 1upm n GLU 440 Ca -0.20 -2.06 -0.12 0.00 -0.02 0.00 0.00 57.16 54.76 1upm n GLU 440 Cb 1.07 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 31.06 1upm n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1upm h GLY 441 N 2.90 -0.82 1.44 0.62 0.00 -1.61 0.17 103.07 105.76 1upm h GLY 441 Ca 0.00 0.68 -0.02 0.00 0.00 0.00 0.00 47.33 48.00 1upm h GLY 441 CO 0.00 -0.11 0.25 3.43 0.00 0.00 0.00 176.54 180.11 1upm h ASN 442 N -0.30 0.66 -0.48 0.19 -0.26 -1.87 -1.12 115.58 112.40 1upm h ASN 442 Ca 0.12 -0.06 -0.13 0.00 -0.56 0.00 0.00 56.30 55.66 1upm h ASN 442 Cb 0.56 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1upm h ASN 442 CO -0.67 0.56 -0.23 0.74 -1.06 0.00 0.00 177.43 176.78 1upm h THR 443 N 0.73 1.27 0.07 2.81 2.02 -1.66 0.10 112.91 118.26 1upm h THR 443 Ca 0.18 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1upm h THR 443 Cb 0.09 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1upm h THR 443 CO -0.02 0.48 -0.03 0.40 0.37 0.00 0.00 175.52 176.71 1upm h ILE 444 N 0.86 0.95 -0.51 3.11 2.04 0.15 -0.50 117.51 123.60 1upm h ILE 444 Ca 0.11 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1upm h ILE 444 Cb 0.81 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1upm h ILE 444 CO 0.07 0.01 0.29 0.40 0.00 0.00 0.00 178.15 178.92 1upm h ILE 445 N -0.12 1.02 -0.62 -0.67 1.08 -1.20 -2.80 117.51 114.19 1upm h ILE 445 Ca -0.01 -0.20 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 1upm h ILE 445 Cb 0.10 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.21 1upm h ILE 445 CO 0.02 0.10 0.39 -0.09 -0.69 0.00 0.00 178.15 177.88 1upm h ARG 446 N 0.57 0.75 -0.74 2.37 9.65 -0.85 -2.10 114.38 124.04 1upm h ARG 446 Ca 0.21 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.11 1upm h ARG 446 Cb 0.06 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 28.41 1upm h ARG 446 CO -0.11 0.50 0.42 0.93 2.80 0.00 0.00 179.97 184.51 1upm h GLU 447 N 0.77 0.74 0.00 0.20 5.08 -0.89 -2.70 114.58 117.78 1upm h GLU 447 Ca 0.24 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1upm h GLU 447 Cb -0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1upm h GLU 447 CO -0.09 0.49 -0.34 0.00 -1.00 0.00 0.00 179.01 178.07 1upm h ALA 448 N 1.38 1.25 0.00 3.43 0.00 -1.14 -2.35 119.26 121.83 1upm h ALA 448 Ca 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1upm h ALA 448 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1upm h ALA 448 CO -0.20 0.43 0.00 1.79 0.00 0.00 0.00 179.25 181.28 1upm h THR 449 N 0.00 0.00 0.00 0.00 1.35 -1.09 -1.47 112.91 111.69 1upm h THR 449 Ca -0.00 -0.19 -0.06 0.00 -0.55 0.00 0.00 66.41 65.62 1upm h THR 449 Cb 0.68 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1upm h THR 449 CO 0.04 0.00 -0.26 0.11 -0.25 0.00 0.00 175.52 175.16 1upm h LYS 450 N 0.00 0.00 0.00 4.72 1.79 -1.47 -3.31 116.57 118.30 1upm h LYS 450 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1upm h LYS 450 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1upm h LYS 450 CO 0.00 0.26 -0.23 -2.67 -1.08 0.00 0.00 179.45 175.73 1upm n TRP 451 N -3.40 0.00 -3.85 -1.35 4.27 -0.92 -4.90 117.44 107.29 1upm n TRP 451 Ca 0.00 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.27 1upm n TRP 451 Cb 0.46 -0.01 -0.12 0.00 -1.36 0.00 0.00 31.31 30.29 1upm n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1upm s SER 452 N -1.40 4.95 0.31 -0.67 0.15 -0.60 -4.97 113.70 111.47 1upm s SER 452 Ca 0.01 -2.49 0.08 0.00 0.70 0.00 0.00 55.95 54.25 1upm s SER 452 Cb 0.03 -1.75 0.83 0.00 -1.71 0.00 0.00 66.02 63.41 1upm s SER 452 CO 0.14 -0.39 1.74 -0.65 1.20 0.00 0.00 173.24 175.28 1upm h PRO 453 N 7.35 0.62 -0.42 5.44 0.11 -1.88 -1.65 132.00 141.57 1upm h PRO 453 Ca -0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1upm h PRO 453 Cb 0.98 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1upm h PRO 453 CO 0.66 0.41 0.20 0.93 -0.21 0.00 0.00 178.00 179.99 1upm h GLU 454 N 0.64 0.61 -0.41 1.05 3.07 -1.93 -1.54 114.58 116.07 1upm h GLU 454 Ca 0.62 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 59.25 1upm h GLU 454 Cb 1.10 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 1upm h GLU 454 CO -0.45 0.53 -0.28 1.25 -1.40 0.00 0.00 179.01 178.67 1upm h LEU 455 N 0.54 0.95 -0.85 1.33 5.85 -1.71 -2.69 115.31 118.72 1upm h LEU 455 Ca 0.14 -0.43 0.10 0.00 0.84 0.00 0.00 57.88 58.54 1upm h LEU 455 Cb 0.13 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 1upm h LEU 455 CO -0.02 1.17 0.49 0.00 -0.34 0.00 0.00 178.44 179.75 1upm h ALA 456 N 0.80 1.23 -0.39 1.25 0.00 -1.07 0.17 119.26 121.26 1upm h ALA 456 Ca 0.08 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 456 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1upm h ALA 456 CO 0.08 0.10 -0.19 0.00 0.00 0.00 0.00 179.25 179.24 1upm h ALA 457 N 1.47 0.94 -0.34 0.00 0.00 -1.20 -2.27 119.26 117.86 1upm h ALA 457 Ca 0.42 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1upm h ALA 457 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1upm h ALA 457 CO -0.26 0.61 -0.37 0.00 0.00 0.00 0.00 179.25 179.23 1upm h ALA 458 N 1.13 0.71 -0.28 0.00 0.00 -0.94 -2.89 119.26 116.99 1upm h ALA 458 Ca 0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1upm h ALA 458 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1upm h ALA 458 CO 0.05 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.09 1upm h GLU 460 N 0.31 0.29 -0.57 0.00 5.08 -1.40 -1.17 114.58 117.12 1upm h GLU 460 Ca 0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1upm h GLU 460 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1upm h GLU 460 CO -0.01 0.19 0.23 0.28 -1.00 0.00 0.00 179.01 178.70 1upm h VAL 461 N 0.30 1.22 -0.36 3.13 2.07 -1.42 -3.28 116.25 117.92 1upm h VAL 461 Ca 0.21 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1upm h VAL 461 Cb 0.23 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1upm h VAL 461 CO -0.23 0.27 0.00 0.79 0.02 0.00 0.00 177.57 178.42 1upm n TRP 462 N -4.49 0.77 -0.28 1.57 8.01 -0.97 -4.72 117.44 117.33 1upm n TRP 462 Ca 0.03 -0.64 0.26 0.00 -1.31 0.00 0.00 57.50 55.83 1upm n TRP 462 Cb 0.16 -0.15 0.61 0.00 -2.01 0.00 0.00 31.31 29.92 1upm n TRP 462 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 1upm h LYS 463 N 2.25 0.22 -0.02 -0.99 2.10 -1.27 -1.70 116.57 117.17 1upm h LYS 463 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1upm h LYS 463 Cb 1.08 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1upm h LYS 463 CO 0.11 0.15 -0.05 0.39 -2.00 0.00 0.00 179.45 178.05 1upm n GLU 464 N -4.43 1.65 -3.28 0.07 -0.58 -1.26 -4.96 120.64 107.84 1upm n GLU 464 Ca 0.23 -1.06 -0.39 0.00 -0.42 0.00 0.00 57.16 55.51 1upm n GLU 464 Cb 0.93 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 30.26 1upm n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1upm s ILE 465 N -2.08 5.13 0.02 -3.67 -1.09 -0.64 -5.02 121.20 113.84 1upm s ILE 465 Ca 0.34 0.87 -0.05 0.00 -2.23 0.00 0.00 60.65 59.59 1upm s ILE 465 Cb 0.20 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1upm s ILE 465 CO 0.36 0.18 0.08 -0.54 -1.23 0.00 0.00 174.94 173.79 1upm s LYS 466 N 1.65 0.48 -0.33 2.79 1.02 -1.26 -5.04 119.74 119.04 1upm s LYS 466 Ca 0.22 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 55.63 1upm s LYS 466 Cb -0.15 0.19 0.10 0.00 -0.52 0.00 0.00 37.83 37.45 1upm s LYS 466 CO 0.09 -0.11 0.08 -0.06 -0.92 0.00 0.00 175.35 174.43 1upm s PHE 467 N -1.93 2.84 -0.23 3.18 0.40 -1.26 -5.09 117.98 115.90 1upm s PHE 467 Ca -0.11 -2.46 -0.01 0.00 -0.60 0.00 0.00 56.93 53.74 1upm s PHE 467 Cb -0.05 -2.39 0.07 0.00 0.51 0.00 0.00 43.02 41.15 1upm s PHE 467 CO -0.02 -0.91 0.02 -1.21 0.70 0.00 0.00 175.22 173.80 1upm s GLU 468 N 1.15 0.97 0.07 0.44 2.02 -1.26 -4.79 118.70 117.30 1upm s GLU 468 Ca 0.11 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.33 1upm s GLU 468 Cb -0.19 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 1upm s GLU 468 CO -0.15 -0.69 0.08 -0.06 0.02 0.00 0.00 175.26 174.46 1upm s PHE 469 N 1.67 0.33 0.31 1.61 0.40 -1.26 -5.14 117.98 115.89 1upm s PHE 469 Ca -0.01 -0.80 -0.29 0.00 -0.60 0.00 0.00 56.93 55.23 1upm s PHE 469 Cb -0.18 -0.22 -0.10 0.00 0.51 0.00 0.00 43.02 43.03 1upm s PHE 469 CO -0.10 -0.45 1.36 -1.25 0.70 0.00 0.00 175.22 175.48 1upm s PRO 470 N -3.78 4.31 0.25 0.24 0.05 -1.26 -5.00 135.00 129.80 1upm s PRO 470 Ca 0.05 2.27 -0.18 0.00 0.05 0.00 0.00 61.00 63.19 1upm s PRO 470 Cb 0.06 -3.08 -0.08 0.00 0.05 0.00 0.00 34.50 31.45 1upm s PRO 470 CO -0.10 -0.29 0.71 0.00 0.05 0.00 0.00 177.00 177.37 1upm s ALA 471 N -0.75 3.40 -0.16 8.56 0.00 -1.26 -4.97 121.76 126.58 1upm s ALA 471 Ca 0.53 0.10 0.21 0.00 0.00 0.00 0.00 51.96 52.79 1upm s ALA 471 Cb -0.41 -2.77 -0.13 0.00 0.00 0.00 0.00 23.12 19.81 1upm s ALA 471 CO 0.50 0.34 0.80 -1.33 0.00 0.00 0.00 175.76 176.08 1upm n MET 472 N 0.40 0.63 -3.85 0.00 2.81 -1.26 -4.78 117.12 111.05 1upm n MET 472 Ca -0.01 0.06 -0.33 0.00 -1.81 0.00 0.00 57.70 55.61 1upm n MET 472 Cb 0.52 -1.73 -0.12 0.00 -0.71 0.00 0.00 33.22 31.17 1upm n MET 472 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1upm s ASP 473 N -5.27 4.84 0.24 7.83 2.15 -1.26 -4.38 116.67 120.81 1upm s ASP 473 Ca -0.03 -2.70 0.11 0.00 0.43 0.00 0.00 52.55 50.36 1upm s ASP 473 Cb 0.10 -1.74 -0.05 0.00 -0.30 0.00 0.00 42.92 40.93 1upm s ASP 473 CO 0.83 -0.35 -0.16 0.42 -0.17 0.00 0.00 175.17 175.74 1upm s THR 474 N 0.16 2.74 -1.34 1.71 -4.23 -1.26 -4.67 115.64 108.75 1upm s THR 474 Ca 0.15 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1upm s THR 474 Cb -0.22 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1upm s THR 474 CO -0.03 -0.27 0.33 0.52 -0.54 0.00 0.00 174.62 174.63