#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 -5.38 -4.83 0.00 3.41 -1.26 -5.04 113.62 100.51 1upm n SER 10 Ca 0.00 1.49 -0.30 0.00 -0.26 0.00 0.00 58.87 59.80 1upm n SER 10 Cb 0.00 -3.68 -0.05 0.00 -0.26 0.00 0.00 64.21 60.21 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 -0.35 4.84 0.57 -3.33 0.11 -1.26 -5.09 120.40 115.88 1upm s VAL 11 Ca -0.02 -0.69 -0.18 0.00 -2.93 0.00 0.00 61.98 58.17 1upm s VAL 11 Cb 0.00 -3.37 -0.09 0.00 -1.53 0.00 0.00 36.38 31.39 1upm s VAL 11 CO 0.04 0.09 0.48 1.21 -3.33 0.00 0.00 175.10 173.59 1upm n GLU 12 N 0.24 0.47 -2.34 1.54 4.07 -1.26 -4.92 120.64 118.44 1upm n GLU 12 Ca -0.07 0.19 -0.42 0.00 -0.06 0.00 0.00 57.16 56.79 1upm n GLU 12 Cb 0.52 -1.66 -0.03 0.00 -0.06 0.00 0.00 31.44 30.21 1upm n GLU 12 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1upm s PHE 13 N -1.74 3.21 -0.30 4.31 5.36 -1.26 -5.02 117.98 122.55 1upm s PHE 13 Ca 0.68 1.11 0.03 0.00 -0.96 0.00 0.00 56.93 57.79 1upm s PHE 13 Cb -0.45 -3.52 0.08 0.00 -0.34 0.00 0.00 43.02 38.79 1upm s PHE 13 CO 0.55 -1.74 -0.03 0.21 -1.46 0.00 0.00 175.22 172.75 1upm s LYS 14 N 1.65 1.84 0.31 10.12 2.47 -1.26 -5.10 119.74 129.76 1upm s LYS 14 Ca 0.60 -1.58 -0.29 0.00 -1.56 0.00 0.00 55.97 53.14 1upm s LYS 14 Cb -0.30 -3.01 -0.11 0.00 -1.46 0.00 0.00 37.83 32.95 1upm s LYS 14 CO 0.27 -0.75 1.50 0.00 0.16 0.00 0.00 175.35 176.53 1upm s ALA 15 N 1.03 3.65 0.00 3.13 0.00 -1.26 -4.78 121.76 123.53 1upm s ALA 15 Ca 0.01 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1upm s ALA 15 Cb -0.19 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1upm s ALA 15 CO -0.07 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1upm n GLY 16 N 1.64 1.29 3.91 0.00 0.00 -1.26 -4.98 105.19 105.78 1upm n GLY 16 Ca 0.05 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1upm n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upm s VAL 17 N -1.19 5.27 0.24 1.61 0.11 -1.26 -2.08 120.40 123.10 1upm s VAL 17 Ca 0.00 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 58.79 1upm s VAL 17 Cb 0.00 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.21 1upm s VAL 17 CO 0.00 0.09 0.39 -1.59 -3.33 0.00 0.00 175.10 170.66 1upm s LYS 18 N -2.58 1.49 0.52 1.54 -2.85 -1.26 -5.00 119.74 111.60 1upm s LYS 18 Ca 0.38 -1.38 -0.21 0.00 -1.00 0.00 0.00 55.97 53.76 1upm s LYS 18 Cb -0.13 0.42 -0.06 0.00 -2.06 0.00 0.00 37.83 36.00 1upm s LYS 18 CO 0.26 -0.59 1.17 -0.51 0.10 0.00 0.00 175.35 175.78 1upm s ASP 19 N -3.07 5.80 0.31 0.03 1.01 -1.26 -4.92 116.67 114.56 1upm s ASP 19 Ca 0.27 2.31 0.01 0.00 0.71 0.00 0.00 52.55 55.85 1upm s ASP 19 Cb 0.01 -2.60 0.50 0.00 1.01 0.00 0.00 42.92 41.85 1upm s ASP 19 CO 0.11 -1.17 1.89 1.88 0.21 0.00 0.00 175.17 178.08 1upm h TYR 20 N 1.53 0.78 0.00 4.23 0.05 -1.93 -3.08 116.97 118.55 1upm h TYR 20 Ca -0.50 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.21 1upm h TYR 20 Cb 1.26 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.76 1upm h TYR 20 CO 0.51 0.62 -0.10 1.57 -1.05 0.00 0.00 178.16 179.72 1upm h LYS 21 N 0.77 0.00 -0.83 4.88 2.10 -1.86 0.59 116.57 122.22 1upm h LYS 21 Ca 0.18 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.97 1upm h LYS 21 Cb 0.19 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.46 1upm h LYS 21 CO -0.01 0.10 0.54 -0.07 -2.00 0.00 0.00 179.45 178.00 1upm h LEU 22 N 0.00 0.56 0.00 7.07 3.38 -1.88 -3.09 115.31 121.34 1upm h LEU 22 Ca -0.00 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 1upm h LEU 22 Cb 0.39 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1upm h LEU 22 CO 0.01 0.29 -1.78 0.41 0.09 0.00 0.00 178.44 177.47 1upm n THR 23 N -4.52 0.78 0.13 0.22 -1.04 -0.43 -4.81 114.28 104.60 1upm n THR 23 Ca 0.16 -0.47 0.03 0.00 -2.04 0.00 0.00 64.05 61.72 1upm n THR 23 Cb 0.47 -0.71 0.04 0.00 -1.82 0.00 0.00 70.33 68.31 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 -2.44 0.07 -4.00 -1.42 4.01 0.07 -4.88 117.16 108.57 1upm n TYR 24 Ca -0.19 -0.15 -0.35 0.00 -0.16 0.00 0.00 57.90 57.05 1upm n TYR 24 Cb 0.86 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.77 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 -0.62 3.14 -0.44 -0.72 5.04 -1.17 -1.53 117.35 121.05 1upm s TYR 25 Ca 0.08 -0.19 0.07 0.00 -2.44 0.00 0.00 57.07 54.59 1upm s TYR 25 Cb 0.05 -2.11 0.27 0.00 0.35 0.00 0.00 41.96 40.51 1upm s TYR 25 CO 0.07 -0.08 0.78 2.41 -1.34 0.00 0.00 175.55 177.39 1upm n THR 26 N 4.06 -0.26 0.31 4.34 -1.04 0.35 -4.90 114.28 117.13 1upm n THR 26 Ca -0.17 -2.71 0.13 0.00 -2.04 0.00 0.00 64.05 59.27 1upm n THR 26 Cb 0.52 0.13 0.59 0.00 -1.82 0.00 0.00 70.33 69.75 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 3.74 0.00 -0.01 -2.82 0.13 -1.75 -2.31 132.00 128.99 1upm h PRO 27 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 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 -0.34 0.39 -0.23 0.00 0.00 178.00 178.19 1upm n GLU 28 N -2.39 0.83 -1.99 0.86 -0.58 -1.26 -4.83 120.64 111.28 1upm n GLU 28 Ca 0.00 -0.55 -0.42 0.00 -0.42 0.00 0.00 57.16 55.78 1upm n GLU 28 Cb 0.17 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 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 -2.54 3.03 -0.13 -0.32 5.04 -0.87 -5.00 117.35 116.55 1upm s TYR 29 Ca 0.22 0.90 -0.14 0.00 -2.44 0.00 0.00 57.07 55.61 1upm s TYR 29 Cb 0.19 -3.85 -0.05 0.00 0.35 0.00 0.00 41.96 38.60 1upm s TYR 29 CO 0.55 -2.90 0.32 -1.21 -1.34 0.00 0.00 175.55 170.97 1upm s GLU 30 N 0.12 4.15 0.24 4.97 2.02 -1.26 -5.00 118.70 123.95 1upm s GLU 30 Ca 0.63 0.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.49 1upm s GLU 30 Cb -0.42 -3.38 -0.09 0.00 0.10 0.00 0.00 34.13 30.34 1upm s GLU 30 CO 0.39 0.34 1.16 0.95 0.02 0.00 0.00 175.26 178.12 1upm s THR 31 N 0.14 3.45 0.45 3.63 -4.23 -1.26 -5.02 115.64 112.80 1upm s THR 31 Ca 0.18 1.35 -0.21 0.00 -1.18 0.00 0.00 61.69 61.84 1upm s THR 31 Cb -0.14 -3.86 -0.10 0.00 1.34 0.00 0.00 72.50 69.74 1upm s THR 31 CO 0.06 0.28 0.98 -0.76 -0.54 0.00 0.00 174.62 174.64 1upm s LEU 32 N -0.96 3.91 0.00 4.79 1.43 -1.26 -4.98 118.68 121.61 1upm s LEU 32 Ca 0.48 1.77 0.16 0.00 -1.03 0.00 0.00 54.13 55.52 1upm s LEU 32 Cb -0.33 -4.54 0.74 0.00 0.03 0.00 0.00 46.19 42.09 1upm s LEU 32 CO 0.40 -0.50 1.50 0.47 0.23 0.00 0.00 176.35 178.45 1upm n ASP 33 N -0.74 0.00 -0.71 2.29 8.00 -1.26 -2.05 116.55 122.09 1upm n ASP 33 Ca 0.08 0.33 0.13 0.00 0.71 0.00 0.00 54.79 56.04 1upm n ASP 33 Cb 0.53 -0.42 0.29 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.42 0.00 -2.64 -3.53 -2.24 -1.26 -4.56 114.28 98.63 1upm n THR 34 Ca 0.05 -0.37 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 1upm n THR 34 Cb 0.17 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.04 7.20 -0.03 3.42 1.01 -0.87 -3.38 116.67 121.98 1upm s ASP 35 Ca 0.32 2.01 -0.27 0.00 0.71 0.00 0.00 52.55 55.32 1upm s ASP 35 Cb 0.20 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1upm s ASP 35 CO 0.34 -0.17 0.86 -0.63 0.21 0.00 0.00 175.17 175.77 1upm s ILE 36 N -1.45 4.95 -0.10 0.77 1.09 0.53 -4.16 121.20 122.83 1upm s ILE 36 Ca 0.50 1.78 -0.02 0.00 -1.10 0.00 0.00 60.65 61.81 1upm s ILE 36 Cb -0.24 -4.19 -0.03 0.00 -1.06 0.00 0.00 42.46 36.94 1upm s ILE 36 CO 0.30 0.20 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.57 1upm s LEU 37 N 0.94 3.48 -0.12 2.97 1.43 -1.08 -0.30 118.68 126.00 1upm s LEU 37 Ca 0.45 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1upm s LEU 37 Cb -0.19 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1upm s LEU 37 CO 0.23 0.34 -0.21 0.00 0.23 0.00 0.00 176.35 176.95 1upm s ALA 38 N -0.65 2.30 -0.45 4.21 0.00 0.36 -0.41 121.76 127.11 1upm s ALA 38 Ca 0.10 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 1upm s ALA 38 Cb -0.12 -0.97 0.04 0.00 0.00 0.00 0.00 23.12 22.08 1upm s ALA 38 CO 0.02 0.17 0.49 0.00 0.00 0.00 0.00 175.76 176.44 1upm s ALA 39 N 0.52 3.43 -0.22 0.00 0.00 -0.89 -0.92 121.76 123.68 1upm s ALA 39 Ca -0.13 -1.67 -0.09 0.00 0.00 0.00 0.00 51.96 50.07 1upm s ALA 39 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1upm s ALA 39 CO 0.05 -1.74 0.12 -0.06 0.00 0.00 0.00 175.76 174.13 1upm s PHE 40 N 2.21 3.28 -0.57 0.00 0.08 -0.16 -1.26 117.98 121.56 1upm s PHE 40 Ca 0.12 0.12 -0.28 0.00 0.12 0.00 0.00 56.93 57.01 1upm s PHE 40 Cb -0.19 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.10 1upm s PHE 40 CO 0.12 0.08 1.22 0.50 -0.10 0.00 0.00 175.22 177.04 1upm s ARG 41 N 0.82 3.50 -0.20 0.44 3.52 0.72 -0.78 118.95 126.97 1upm s ARG 41 Ca 0.06 0.31 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 1upm s ARG 41 Cb -0.13 -4.02 -0.03 0.00 -1.56 0.00 0.00 34.95 29.21 1upm s ARG 41 CO 0.02 -1.69 0.01 0.08 -0.81 0.00 0.00 175.30 172.91 1upm s VAL 42 N 5.07 4.13 -0.43 7.11 1.01 0.86 -1.77 120.40 136.38 1upm s VAL 42 Ca 0.45 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1upm s VAL 42 Cb -0.08 -2.87 0.12 0.00 0.00 0.00 0.00 36.38 33.55 1upm s VAL 42 CO 0.26 0.43 0.17 -0.44 0.00 0.00 0.00 175.10 175.52 1upm s SER 43 N 0.88 4.68 0.72 3.32 0.01 -0.57 -1.44 113.70 121.29 1upm s SER 43 Ca 0.01 -2.51 -0.12 0.00 1.31 0.00 0.00 55.95 54.65 1upm s SER 43 Cb -0.14 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.45 1upm s SER 43 CO 0.02 -0.34 1.09 -2.84 0.41 0.00 0.00 173.24 171.58 1upm s PRO 44 N 0.42 2.56 0.69 12.44 0.02 -1.25 -0.07 135.00 149.80 1upm s PRO 44 Ca 0.13 1.23 -0.13 0.00 0.02 0.00 0.00 61.00 62.25 1upm s PRO 44 Cb -0.22 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.38 1upm s PRO 44 CO -0.04 -1.42 1.08 -0.65 -0.33 0.00 0.00 177.00 175.64 1upm s GLN 45 N -4.59 2.74 0.16 5.54 -1.52 -0.74 -4.45 119.66 116.81 1upm s GLN 45 Ca 0.63 1.19 -0.33 0.00 -1.95 0.00 0.00 55.36 54.89 1upm s GLN 45 Cb -0.18 -1.96 -0.13 0.00 -0.22 0.00 0.00 33.01 30.52 1upm s GLN 45 CO 0.50 -1.27 1.64 -2.30 -0.25 0.00 0.00 175.29 173.61 1upm n PRO 46 N -2.87 2.34 -0.47 2.91 -0.02 -1.26 -1.96 135.00 133.66 1upm n PRO 46 Ca 0.09 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1upm n PRO 46 Cb 0.53 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.64 0.74 3.33 -1.23 0.00 -1.26 -5.03 105.19 105.38 1upm n GLY 47 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.73 4.09 0.65 1.61 1.01 -0.83 -5.09 120.40 119.11 1upm s VAL 48 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 1upm s VAL 48 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 1upm s VAL 48 CO 0.00 -0.08 1.18 -2.16 0.00 0.00 0.00 175.10 174.04 1upm s PRO 49 N 1.49 2.69 0.40 2.72 0.04 -1.26 -4.75 135.00 136.33 1upm s PRO 49 Ca 0.01 1.68 0.09 0.00 0.04 0.00 0.00 61.00 62.83 1upm s PRO 49 Cb -0.18 -1.91 0.84 0.00 0.04 0.00 0.00 34.50 33.29 1upm s PRO 49 CO 0.04 -1.39 1.97 -1.00 0.04 0.00 0.00 177.00 176.66 1upm h PRO 50 N 0.32 0.30 -0.71 0.56 0.13 -1.98 -1.68 132.00 128.95 1upm h PRO 50 Ca -0.49 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 1upm h PRO 50 Cb 1.28 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1upm h PRO 50 CO 0.53 0.34 0.23 0.93 -0.23 0.00 0.00 178.00 179.80 1upm h GLU 51 N 0.30 1.09 0.01 0.86 3.07 -1.99 -0.13 114.58 117.80 1upm h GLU 51 Ca 0.07 -0.23 -0.21 0.00 -0.50 0.00 0.00 59.36 58.49 1upm h GLU 51 Cb 0.22 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1upm h GLU 51 CO 0.01 0.94 -0.92 1.49 -1.40 0.00 0.00 179.01 179.12 1upm h GLU 52 N 1.04 0.18 -0.25 2.33 4.57 -1.73 -1.73 114.58 119.00 1upm h GLU 52 Ca 0.23 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1upm h GLU 52 Cb 0.29 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1upm h GLU 52 CO -0.01 0.98 0.09 0.00 -1.18 0.00 0.00 179.01 178.89 1upm h ALA 53 N 0.94 0.33 -0.45 2.92 0.00 -1.13 0.20 119.26 122.06 1upm h ALA 53 Ca -0.05 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1upm h ALA 53 Cb 1.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1upm h ALA 53 CO 0.14 -0.06 -0.15 0.78 0.00 0.00 0.00 179.25 179.96 1upm h GLY 54 N 0.24 0.92 0.92 0.00 0.00 -1.02 -1.78 103.07 102.36 1upm h GLY 54 Ca 0.08 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 1upm h GLY 54 CO -0.00 0.68 0.07 0.00 0.00 0.00 0.00 176.54 177.29 1upm h ALA 55 N 1.07 0.50 -0.20 3.60 0.00 -1.14 -1.74 119.26 121.34 1upm h ALA 55 Ca 0.12 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1upm h ALA 55 Cb 0.67 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1upm h ALA 55 CO 0.05 0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.51 1upm h ALA 56 N 0.92 0.20 -0.19 0.00 0.00 -0.68 0.12 119.26 119.63 1upm h ALA 56 Ca 0.12 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1upm h ALA 56 Cb 0.34 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1upm h ALA 56 CO 0.00 -0.40 0.06 0.28 0.00 0.00 0.00 179.25 179.19 1upm h VAL 57 N 0.10 0.94 -0.59 0.00 2.07 -1.17 -2.19 116.25 115.42 1upm h VAL 57 Ca 0.09 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1upm h VAL 57 Cb 0.10 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1upm h VAL 57 CO -0.13 0.03 0.35 0.00 0.02 0.00 0.00 177.57 177.83 1upm h ALA 58 N 1.12 0.75 -0.10 1.67 0.00 -1.14 -2.30 119.26 119.27 1upm h ALA 58 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 58 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1upm h ALA 58 CO -0.09 0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.45 1upm h ALA 59 N 1.17 0.12 0.00 0.00 0.00 -0.63 -3.19 119.26 116.74 1upm h ALA 59 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1upm h ALA 59 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1upm h ALA 59 CO -0.04 -0.40 -0.30 -1.91 0.00 0.00 0.00 179.25 176.60 1upm n GLU 60 N -5.04 0.11 -0.75 0.00 4.07 -0.84 0.45 120.64 118.65 1upm n GLU 60 Ca -0.05 0.05 0.07 0.00 -0.06 0.00 0.00 57.16 57.18 1upm n GLU 60 Cb 0.04 -1.59 0.36 0.00 -0.06 0.00 0.00 31.44 30.19 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 -1.76 5.09 0.00 4.31 3.41 -0.87 -4.77 113.62 119.03 1upm n SER 61 Ca 0.05 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1upm n SER 61 Cb 0.38 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 0.75 0.00 0.00 4.04 3.41 -1.00 -4.49 113.62 116.33 1upm n SER 62 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1upm n SER 62 Cb 1.03 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 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 -1.29 0.00 -3.96 6.66 -2.24 -0.78 -4.94 114.28 107.73 1upm n THR 63 Ca 0.00 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 1upm n THR 63 Cb 0.00 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.68 1.77 0.00 3.38 0.00 0.17 -5.02 107.32 106.94 1upm s GLY 64 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1upm s GLY 64 CO 0.00 -1.02 0.00 -0.37 0.00 0.00 0.00 173.10 171.71 1upm n THR 65 N -0.42 0.00 0.24 0.90 5.66 -1.26 -4.19 114.28 115.21 1upm n THR 65 Ca -0.07 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.05 1upm n THR 65 Cb 0.54 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.41 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 0.00 0.00 -3.29 1.09 5.08 -1.99 -3.46 115.95 113.38 1upm h TRP 66 Ca 0.00 0.00 -0.41 0.00 1.08 0.00 0.00 58.89 59.56 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 -0.61 -0.08 -1.28 0.00 0.00 178.44 176.47 1upm s THR 67 N -3.28 0.90 0.07 0.12 -1.32 -1.26 -4.65 115.64 106.21 1upm s THR 67 Ca 0.03 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.25 1upm s THR 67 Cb 0.09 -2.71 -0.06 0.00 -1.51 0.00 0.00 72.50 68.32 1upm s THR 67 CO 0.74 -0.01 0.79 -0.89 -2.21 0.00 0.00 174.62 173.03 1upm s THR 68 N -3.51 4.66 -0.06 5.08 2.01 -0.88 -4.99 115.64 117.95 1upm s THR 68 Ca 0.37 1.69 0.03 0.00 0.31 0.00 0.00 61.69 64.09 1upm s THR 68 Cb 0.08 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 1upm s THR 68 CO 0.14 0.38 -0.15 0.68 -0.69 0.00 0.00 174.62 174.98 1upm s VAL 69 N -0.18 2.94 0.37 3.82 -7.23 -1.26 -4.51 120.40 114.35 1upm s VAL 69 Ca 0.39 -0.76 0.17 0.00 -1.81 0.00 0.00 61.98 59.98 1upm s VAL 69 Cb -0.21 -2.16 0.16 0.00 0.56 0.00 0.00 36.38 34.73 1upm s VAL 69 CO 0.24 0.58 1.90 4.11 -0.31 0.00 0.00 175.10 181.62 1upm h TRP 70 N 5.67 0.00 0.00 2.82 5.08 -1.96 -3.03 115.95 124.52 1upm h TRP 70 Ca -0.41 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.56 1upm h TRP 70 Cb 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1upm h TRP 70 CO 0.49 0.28 0.00 0.25 -1.28 0.00 0.00 178.44 178.18 1upm n THR 71 N -3.97 1.22 -0.08 0.12 -2.24 -1.26 -2.37 114.28 105.70 1upm n THR 71 Ca -0.02 0.39 0.17 0.00 -2.27 0.00 0.00 64.05 62.32 1upm n THR 71 Cb 0.35 -1.29 0.58 0.00 -2.10 0.00 0.00 70.33 67.87 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 0.22 0.61 3.42 3.32 -1.91 -2.64 116.42 119.44 1upm h ASP 72 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1upm h ASP 72 Cb 0.17 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1upm h ASP 72 CO 0.00 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1upm n GLY 73 N -1.57 -1.23 0.20 2.75 0.00 -1.00 -2.35 105.19 101.99 1upm n GLY 73 Ca 0.12 -0.11 0.09 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 -1.69 -3.47 115.31 114.52 1upm h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1upm h LEU 74 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1upm h LEU 74 CO 0.00 0.17 0.00 0.41 0.09 0.00 0.00 178.44 179.11 1upm n THR 75 N -3.16 0.00 -3.75 0.22 -1.04 -0.99 -5.10 114.28 100.47 1upm n THR 75 Ca 0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.68 1upm n THR 75 Cb 0.57 -0.23 -0.10 0.00 -1.82 0.00 0.00 70.33 68.75 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 -0.58 5.19 0.29 8.00 3.84 -1.26 -4.96 114.94 125.45 1upm s ASN 76 Ca 0.00 -2.67 -0.02 0.00 0.21 0.00 0.00 52.86 50.39 1upm s ASN 76 Cb 0.00 -1.84 0.42 0.00 -0.55 0.00 0.00 41.25 39.28 1upm s ASN 76 CO 0.00 -0.40 1.88 0.25 -2.79 0.00 0.00 177.10 176.04 1upm h LEU 77 N 7.24 0.85 -1.39 3.21 5.85 -2.00 -2.02 115.31 127.05 1upm h LEU 77 Ca -0.05 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1upm h LEU 77 Cb 0.97 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1upm h LEU 77 CO 0.71 0.73 -0.29 0.44 -0.34 0.00 0.00 178.44 179.69 1upm h ASP 78 N 0.93 0.00 1.87 1.25 3.32 -1.95 0.18 116.42 122.02 1upm h ASP 78 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1upm h ASP 78 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1upm h ASP 78 CO -0.03 0.29 -0.11 0.08 -1.72 0.00 0.00 179.24 177.75 1upm h ARG 79 N 0.00 0.00 0.00 3.56 0.11 -1.80 -3.37 114.38 112.88 1upm h ARG 79 Ca -0.00 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.84 1upm h ARG 79 Cb 0.60 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.63 1upm h ARG 79 CO 0.04 0.00 -2.13 0.66 0.10 0.00 0.00 179.97 178.63 1upm n TYR 80 N -3.02 0.00 -1.68 4.08 4.01 -0.82 -4.85 117.16 114.88 1upm n TYR 80 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 1upm n TYR 80 Cb 0.53 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 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 -2.53 1.89 -2.13 -0.72 2.85 0.56 -4.63 118.16 113.46 1upm n LYS 81 Ca -0.22 0.67 -0.32 0.00 -1.05 0.00 0.00 58.31 57.38 1upm n LYS 81 Cb 0.93 -2.28 -0.00 0.00 -0.65 0.00 0.00 35.03 33.02 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 -0.47 2.08 -0.15 2.58 0.00 -1.26 -4.63 107.32 105.46 1upm s GLY 82 Ca 0.59 0.30 -0.09 0.00 0.00 0.00 0.00 44.72 45.53 1upm s GLY 82 CO 0.60 0.61 0.37 1.09 0.00 0.00 0.00 173.10 175.76 1upm s ARG 83 N -4.14 0.35 -0.27 2.90 1.70 -0.58 -4.62 118.95 114.29 1upm s ARG 83 Ca 0.62 0.71 -0.29 0.00 -0.47 0.00 0.00 55.73 56.29 1upm s ARG 83 Cb -0.14 -0.03 -0.00 0.00 -0.57 0.00 0.00 34.95 34.21 1upm s ARG 83 CO 0.36 -0.15 1.27 0.00 -1.08 0.00 0.00 175.30 175.71 1upm n TYR 85 N 7.32 0.00 -3.67 0.00 4.11 -0.70 -0.50 117.16 123.72 1upm n TYR 85 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.92 1upm n TYR 85 Cb 0.46 -0.02 -0.08 0.00 -0.00 0.00 0.00 39.34 39.70 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 -1.57 -0.70 -0.13 -3.48 5.04 -1.24 -4.28 115.29 108.94 1upm s HIS 86 Ca 0.01 1.63 0.01 0.00 -1.54 0.00 0.00 55.06 55.17 1upm s HIS 86 Cb 0.03 0.27 0.02 0.00 0.04 0.00 0.00 32.58 32.94 1upm s HIS 86 CO 0.17 -0.34 -0.14 0.42 -2.34 0.00 0.00 174.74 172.51 1upm s ILE 87 N 0.55 1.50 -0.11 0.89 1.01 -1.26 -1.18 121.20 122.59 1upm s ILE 87 Ca -0.02 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1upm s ILE 87 Cb -0.05 -1.40 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1upm s ILE 87 CO -0.03 0.44 -0.20 -0.70 0.00 0.00 0.00 174.94 174.46 1upm s GLU 88 N 1.30 2.71 0.37 2.79 2.12 -0.12 -5.01 118.70 122.86 1upm s GLU 88 Ca 0.00 -0.75 -0.25 0.00 0.36 0.00 0.00 54.97 54.33 1upm s GLU 88 Cb -0.14 -2.17 -0.09 0.00 0.26 0.00 0.00 34.13 32.00 1upm s GLU 88 CO -0.07 0.03 1.07 -1.25 -0.54 0.00 0.00 175.26 174.50 1upm s PRO 89 N 0.71 4.26 -0.22 4.30 0.04 -1.26 -0.09 135.00 142.74 1upm s PRO 89 Ca -0.11 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 62.30 1upm s PRO 89 Cb -0.16 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1upm s PRO 89 CO 0.02 -0.08 0.71 0.08 0.04 0.00 0.00 177.00 177.78 1upm s VAL 90 N -1.53 4.94 0.15 -0.36 1.01 -0.26 -4.81 120.40 119.54 1upm s VAL 90 Ca 0.55 1.34 -0.31 0.00 0.00 0.00 0.00 61.98 63.55 1upm s VAL 90 Cb -0.25 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 1upm s VAL 90 CO 0.31 0.02 1.79 0.00 0.00 0.00 0.00 175.10 177.22 1upm s ALA 91 N 2.40 3.82 0.00 5.51 0.00 -1.26 -2.43 121.76 129.80 1upm s ALA 91 Ca 0.31 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1upm s ALA 91 Cb -0.16 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1upm s ALA 91 CO 0.09 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1upm n GLY 92 N 4.14 0.76 3.00 0.00 0.00 -1.26 -5.03 105.19 106.80 1upm n GLY 92 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.51 1.69 -0.06 1.61 0.41 -1.02 -5.11 118.70 115.71 1upm s GLU 93 Ca 0.00 -0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 1upm s GLU 93 Cb 0.00 -1.46 -0.04 0.00 -1.78 0.00 0.00 34.13 30.86 1upm s GLU 93 CO 0.00 -0.03 1.30 -1.83 -0.49 0.00 0.00 175.26 174.21 1upm s GLU 94 N 0.86 4.30 -1.41 1.61 1.03 -1.26 -4.34 118.70 119.49 1upm s GLU 94 Ca -0.11 1.79 -0.08 0.00 0.03 0.00 0.00 54.97 56.60 1upm s GLU 94 Cb -0.15 -3.63 0.04 0.00 -0.80 0.00 0.00 34.13 29.59 1upm s GLU 94 CO 0.01 -0.56 0.99 -1.71 -1.33 0.00 0.00 175.26 172.66 1upm n ASN 95 N 5.65 -4.31 -3.86 0.83 5.15 -1.26 -4.98 115.26 112.48 1upm n ASN 95 Ca 0.13 -0.70 -0.19 0.00 -0.60 0.00 0.00 54.58 53.22 1upm n ASN 95 Cb 0.45 -4.38 -0.16 0.00 -0.53 0.00 0.00 39.78 35.15 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 -6.28 0.58 0.01 1.20 0.74 -1.26 -3.96 119.66 110.69 1upm s GLN 96 Ca 0.45 -0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.88 1upm s GLN 96 Cb -0.21 -0.68 -0.01 0.00 1.10 0.00 0.00 33.01 33.20 1upm s GLN 96 CO 0.79 -0.11 -0.11 0.71 -0.55 0.00 0.00 175.29 176.02 1upm s TYR 97 N 0.99 0.98 -0.44 1.67 1.51 -0.52 -1.10 117.35 120.44 1upm s TYR 97 Ca -0.10 -0.25 -0.28 0.00 -1.01 0.00 0.00 57.07 55.43 1upm s TYR 97 Cb -0.14 -0.61 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1upm s TYR 97 CO -0.01 -0.01 1.06 0.42 -1.11 0.00 0.00 175.55 175.90 1upm s ILE 98 N -0.53 4.35 -0.24 2.71 -1.09 0.88 -0.10 121.20 127.19 1upm s ILE 98 Ca 0.02 1.17 -0.09 0.00 -2.23 0.00 0.00 60.65 59.53 1upm s ILE 98 Cb -0.06 -4.51 -0.04 0.00 -1.58 0.00 0.00 42.46 36.27 1upm s ILE 98 CO 0.00 -0.85 0.11 0.00 -1.23 0.00 0.00 174.94 172.98 1upm s TYR 100 N 1.19 3.44 0.04 0.00 1.51 -0.33 -0.99 117.35 122.21 1upm s TYR 100 Ca 0.06 0.58 0.07 0.00 -1.01 0.00 0.00 57.07 56.77 1upm s TYR 100 Cb -0.14 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.31 1upm s TYR 100 CO 0.05 0.18 -0.20 0.08 -1.11 0.00 0.00 175.55 174.55 1upm s VAL 101 N 0.67 1.57 -0.08 0.71 1.01 -0.10 -1.72 120.40 122.46 1upm s VAL 101 Ca 0.17 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1upm s VAL 101 Cb -0.13 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1upm s VAL 101 CO 0.05 0.20 -0.23 0.00 0.00 0.00 0.00 175.10 175.12 1upm s ALA 102 N -0.77 2.05 -0.13 5.51 0.00 -0.52 -0.49 121.76 127.41 1upm s ALA 102 Ca 0.07 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1upm s ALA 102 Cb -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1upm s ALA 102 CO 0.01 0.32 -0.19 0.71 0.00 0.00 0.00 175.76 176.61 1upm s TYR 103 N 0.18 2.45 0.38 0.00 2.02 0.59 -1.53 117.35 121.43 1upm s TYR 103 Ca -0.12 -1.25 -0.27 0.00 -0.37 0.00 0.00 57.07 55.06 1upm s TYR 103 Cb -0.16 -1.70 -0.11 0.00 -0.40 0.00 0.00 41.96 39.59 1upm s TYR 103 CO 0.06 -0.60 1.39 -2.30 -1.57 0.00 0.00 175.55 172.54 1upm n PRO 104 N 4.20 2.36 -0.32 -1.71 -0.02 -1.26 -0.34 135.00 137.91 1upm n PRO 104 Ca -0.20 0.83 0.31 0.00 -2.02 0.00 0.00 63.50 62.43 1upm n PRO 104 Cb 0.51 -2.52 0.58 0.00 -0.02 0.00 0.00 33.50 32.05 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 2.64 0.34 0.00 2.45 5.85 -1.92 -2.27 115.31 122.40 1upm h LEU 105 Ca -0.49 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1upm h LEU 105 Cb 1.26 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1upm h LEU 105 CO 0.63 -0.41 0.00 0.47 -0.34 0.00 0.00 178.44 178.79 1upm n ASP 106 N -5.24 0.00 0.22 1.25 9.92 -1.26 -2.72 116.55 118.72 1upm n ASP 106 Ca 0.37 0.15 0.12 0.00 -0.53 0.00 0.00 54.79 54.90 1upm n ASP 106 Cb 1.25 -0.34 0.16 0.00 -0.64 0.00 0.00 41.12 41.55 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 -9.64 0.64 3.38 -1.78 -3.46 115.31 104.45 1upm h LEU 107 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1upm h LEU 107 Cb 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1upm h LEU 107 CO 0.00 0.00 -0.52 -0.36 0.09 0.00 0.00 178.44 177.65 1upm s PHE 108 N -3.21 3.46 -0.03 1.13 0.08 -1.10 -5.05 117.98 113.25 1upm s PHE 108 Ca 0.07 0.36 -0.30 0.00 0.12 0.00 0.00 56.93 57.18 1upm s PHE 108 Cb 0.05 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 1upm s PHE 108 CO 0.67 0.64 1.06 -2.00 -0.10 0.00 0.00 175.22 175.49 1upm s GLU 109 N -1.50 4.46 0.33 0.44 2.12 -1.26 -5.01 118.70 118.28 1upm s GLU 109 Ca 0.21 1.50 -0.28 0.00 0.36 0.00 0.00 54.97 56.76 1upm s GLU 109 Cb -0.12 -3.48 -0.13 0.00 0.26 0.00 0.00 34.13 30.66 1upm s GLU 109 CO 0.11 -0.23 1.27 0.39 -0.54 0.00 0.00 175.26 176.27 1upm n GLU 110 N 4.46 2.04 -0.92 4.30 4.71 -1.26 -2.75 120.64 131.22 1upm n GLU 110 Ca 0.08 0.72 0.00 0.00 -0.01 0.00 0.00 57.16 57.95 1upm n GLU 110 Cb 0.49 -2.29 0.00 0.00 -1.01 0.00 0.00 31.44 28.63 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 0.97 0.26 3.04 0.62 0.00 -1.20 -4.99 105.19 103.88 1upm n GLY 111 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.11 4.85 0.31 1.61 0.15 -1.11 -4.91 113.70 112.49 1upm s SER 112 Ca 0.00 -2.44 -0.01 0.00 0.70 0.00 0.00 55.95 54.20 1upm s SER 112 Cb 0.00 -1.72 0.49 0.00 -1.71 0.00 0.00 66.02 63.08 1upm s SER 112 CO 0.00 -0.38 1.95 -0.37 1.20 0.00 0.00 173.24 175.64 1upm h VAL 113 N 6.07 1.20 -0.72 4.45 -1.51 -1.94 -2.44 116.25 121.36 1upm h VAL 113 Ca -0.07 -0.44 0.13 0.00 -1.23 0.00 0.00 66.70 65.10 1upm h VAL 113 Cb 0.98 0.18 -0.13 0.00 -2.13 0.00 0.00 31.29 30.19 1upm h VAL 113 CO 0.63 0.21 -0.27 0.74 -1.23 0.00 0.00 177.57 177.65 1upm h THR 114 N 0.99 0.18 -0.28 7.19 2.02 -1.92 -0.70 112.91 120.40 1upm h THR 114 Ca 0.26 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 1upm h THR 114 Cb -0.04 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1upm h THR 114 CO -0.05 0.00 -0.18 -1.13 0.37 0.00 0.00 175.52 174.53 1upm h ASN 115 N -0.07 0.51 0.06 4.18 -0.73 -1.80 -0.47 115.58 117.26 1upm h ASN 115 Ca 0.31 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.33 1upm h ASN 115 Cb 0.56 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.02 1upm h ASN 115 CO -0.77 0.71 -0.03 -0.03 -0.37 0.00 0.00 177.43 176.94 1upm h MET 116 N 0.46 -0.08 -0.98 6.67 4.05 -0.90 -2.51 114.93 121.64 1upm h MET 116 Ca 0.08 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.57 1upm h MET 116 Cb 0.58 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.34 1upm h MET 116 CO 0.04 0.34 0.63 0.74 0.23 0.00 0.00 176.91 178.89 1upm h PHE 117 N -0.53 1.17 -0.45 1.39 0.04 -1.20 -2.45 116.94 114.90 1upm h PHE 117 Ca -0.01 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1upm h PHE 117 Cb 0.46 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 1upm h PHE 117 CO 0.07 0.61 0.19 1.15 -0.60 0.00 0.00 178.31 179.73 1upm h THR 118 N 1.15 0.91 0.76 -1.55 2.02 -0.80 -0.37 112.91 115.03 1upm h THR 118 Ca 0.42 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.43 1upm h THR 118 Cb 0.16 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1upm h THR 118 CO -0.17 0.07 -0.36 0.28 0.37 0.00 0.00 175.52 175.71 1upm h SER 119 N 0.39 -0.86 1.59 4.18 0.02 -1.32 -2.21 113.55 115.34 1upm h SER 119 Ca 0.20 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1upm h SER 119 Cb 0.16 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1upm h SER 119 CO -0.17 -0.55 -0.08 0.40 -1.14 0.00 0.00 176.83 175.29 1upm h ILE 120 N -1.13 0.14 0.00 3.27 2.04 -1.14 -3.24 117.51 117.45 1upm h ILE 120 Ca -0.10 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1upm h ILE 120 Cb 0.80 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1upm h ILE 120 CO 0.17 0.07 -0.06 0.52 0.00 0.00 0.00 178.15 178.86 1upm n VAL 121 N -3.14 0.42 0.24 1.67 0.31 -0.17 -4.87 118.33 112.79 1upm n VAL 121 Ca 0.03 -0.44 -0.10 0.00 -0.01 0.00 0.00 64.34 63.81 1upm n VAL 121 Cb 0.48 0.72 -0.05 0.00 -0.91 0.00 0.00 33.84 34.08 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 -0.68 0.00 2.92 0.00 -1.38 -3.43 103.07 100.51 1upm h GLY 122 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1upm h GLY 122 CO 0.00 -0.25 -0.92 0.70 0.00 0.00 0.00 176.54 176.08 1upm n ASN 123 N -4.44 4.58 0.26 0.19 3.02 -1.26 -4.85 115.26 112.77 1upm n ASN 123 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1upm n ASN 123 Cb 0.26 0.61 0.70 0.00 -0.61 0.00 0.00 39.78 40.74 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 0.51 0.00 2.41 -1.51 -1.86 -2.77 116.25 113.03 1upm h VAL 124 Ca 0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1upm h VAL 124 Cb 0.62 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1upm h VAL 124 CO 0.00 0.12 0.00 0.49 -1.23 0.00 0.00 177.57 176.95 1upm n PHE 125 N -3.55 0.00 -0.04 5.19 3.01 -1.26 -2.97 117.46 117.84 1upm n PHE 125 Ca -0.01 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.50 1upm n PHE 125 Cb 0.26 -0.37 0.12 0.00 -0.01 0.00 0.00 39.48 39.48 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 -0.46 2.13 3.69 1.37 0.00 -1.04 -4.84 105.19 106.04 1upm n GLY 126 Ca 0.04 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 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 0.46 2.41 -0.34 1.61 3.72 -1.16 -4.89 117.46 119.28 1upm n PHE 127 Ca 0.10 0.27 0.02 0.00 -0.05 0.00 0.00 57.45 57.79 1upm n PHE 127 Cb 0.38 -2.55 0.19 0.00 -0.94 0.00 0.00 39.48 36.56 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 5.41 1.11 0.00 -1.08 1.57 -1.95 -2.67 116.57 118.97 1upm h LYS 128 Ca -0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1upm h LYS 128 Cb 1.25 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1upm h LYS 128 CO 0.85 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 180.46 1upm n ALA 129 N -2.38 1.80 -2.52 3.86 0.00 -1.26 -4.65 120.51 115.35 1upm n ALA 129 Ca 0.14 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1upm n ALA 129 Cb 0.15 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.43 2.84 -0.01 0.00 1.02 -1.01 -1.78 118.68 117.31 1upm s LEU 130 Ca 0.14 -0.44 0.19 0.00 0.02 0.00 0.00 54.13 54.04 1upm s LEU 130 Cb 0.08 -1.67 -0.20 0.00 0.02 0.00 0.00 46.19 44.43 1upm s LEU 130 CO 0.18 0.20 0.58 0.54 0.02 0.00 0.00 176.35 177.88 1upm n ARG 131 N 0.97 0.64 -3.57 1.70 1.74 0.89 -4.74 116.66 114.30 1upm n ARG 131 Ca -0.15 0.06 -0.10 0.00 -0.77 0.00 0.00 57.85 56.90 1upm n ARG 131 Cb 0.52 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.24 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 -3.00 -1.94 -0.15 7.54 0.00 -1.08 -5.02 121.76 118.11 1upm s ALA 132 Ca -0.06 1.55 -0.08 0.00 0.00 0.00 0.00 51.96 53.37 1upm s ALA 132 Cb 0.09 -0.62 0.05 0.00 0.00 0.00 0.00 23.12 22.64 1upm s ALA 132 CO 0.84 -0.35 0.35 -1.17 0.00 0.00 0.00 175.76 175.43 1upm s LEU 133 N -1.28 0.16 -0.07 0.00 2.96 -1.22 -1.51 118.68 117.73 1upm s LEU 133 Ca -0.00 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1upm s LEU 133 Cb -0.01 1.14 0.02 0.00 0.50 0.00 0.00 46.19 47.85 1upm s LEU 133 CO -0.00 -0.18 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.19 1upm s ARG 134 N 1.20 1.13 -0.24 1.98 3.52 -0.73 -1.05 118.95 124.76 1upm s ARG 134 Ca -0.08 -0.16 -0.28 0.00 -0.13 0.00 0.00 55.73 55.08 1upm s ARG 134 Cb -0.08 -1.17 0.01 0.00 -1.56 0.00 0.00 34.95 32.15 1upm s ARG 134 CO -0.10 -0.15 1.01 -1.17 -0.81 0.00 0.00 175.30 174.08 1upm s LEU 135 N 1.29 4.09 -0.13 -0.88 2.96 -0.29 -0.20 118.68 125.52 1upm s LEU 135 Ca -0.04 1.31 0.09 0.00 -0.22 0.00 0.00 54.13 55.26 1upm s LEU 135 Cb -0.14 -3.49 -0.23 0.00 0.50 0.00 0.00 46.19 42.83 1upm s LEU 135 CO -0.02 -0.66 0.34 -0.62 -1.32 0.00 0.00 176.35 174.07 1upm n GLU 136 N 6.30 0.68 -3.51 1.98 -0.58 -0.39 -1.17 120.64 123.94 1upm n GLU 136 Ca 0.11 0.19 -0.10 0.00 -0.42 0.00 0.00 57.16 56.95 1upm n GLU 136 Cb 0.46 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 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 -6.20 -0.40 -0.02 1.62 -1.08 -1.23 -4.63 116.67 104.74 1upm s ASP 137 Ca -0.14 0.12 0.02 0.00 -0.52 0.00 0.00 52.55 52.03 1upm s ASP 137 Cb 0.07 0.40 0.01 0.00 -1.46 0.00 0.00 42.92 41.94 1upm s ASP 137 CO 0.79 -0.60 -0.05 -0.76 0.52 0.00 0.00 175.17 175.06 1upm s LEU 138 N -2.18 1.76 -0.45 -1.34 1.43 -1.26 -2.10 118.68 114.55 1upm s LEU 138 Ca 0.02 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 1upm s LEU 138 Cb -0.01 -0.34 0.04 0.00 0.03 0.00 0.00 46.19 45.92 1upm s LEU 138 CO -0.06 0.03 0.44 -0.60 0.23 0.00 0.00 176.35 176.39 1upm s ARG 139 N 0.23 3.05 -0.33 1.70 3.00 0.45 -4.95 118.95 122.09 1upm s ARG 139 Ca -0.02 -1.00 -0.18 0.00 -1.00 0.00 0.00 55.73 53.53 1upm s ARG 139 Cb -0.06 -4.04 -0.01 0.00 0.00 0.00 0.00 34.95 30.83 1upm s ARG 139 CO -0.00 -0.96 0.52 0.42 0.00 0.00 0.00 175.30 175.27 1upm s ILE 140 N 2.02 5.02 0.51 4.11 1.01 -1.26 -2.63 121.20 129.98 1upm s ILE 140 Ca 0.09 0.46 -0.22 0.00 0.00 0.00 0.00 60.65 60.98 1upm s ILE 140 Cb -0.20 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 1upm s ILE 140 CO 0.11 -0.16 1.24 -2.16 0.00 0.00 0.00 174.94 173.97 1upm s PRO 141 N 2.40 3.42 0.48 2.79 0.04 -1.26 -4.68 135.00 138.19 1upm s PRO 141 Ca 0.19 1.96 0.16 0.00 0.04 0.00 0.00 61.00 63.35 1upm s PRO 141 Cb -0.15 -2.28 1.14 0.00 0.04 0.00 0.00 34.50 33.24 1upm s PRO 141 CO 0.13 -0.88 2.06 -0.39 0.04 0.00 0.00 177.00 177.95 1upm h VAL 142 N 1.58 1.04 -0.04 -0.36 -1.51 -1.85 -1.06 116.25 114.05 1upm h VAL 142 Ca -0.50 -0.40 -0.05 0.00 -1.23 0.00 0.00 66.70 64.53 1upm h VAL 142 Cb 1.27 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 1upm h VAL 142 CO 0.58 0.11 -0.19 0.00 -1.23 0.00 0.00 177.57 176.84 1upm h ALA 143 N 1.89 1.61 0.11 5.19 0.00 -1.92 -2.29 119.26 123.84 1upm h ALA 143 Ca -0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 1upm h ALA 143 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1upm h ALA 143 CO 0.01 0.29 -1.55 -0.92 0.00 0.00 0.00 179.25 177.09 1upm h TYR 144 N 0.06 0.44 -0.97 0.00 3.20 -1.59 -3.33 116.97 114.78 1upm h TYR 144 Ca 0.01 -0.32 0.09 0.00 3.14 0.00 0.00 58.73 61.65 1upm h TYR 144 Cb 0.38 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 1upm h TYR 144 CO 0.00 1.38 0.62 0.28 -1.64 0.00 0.00 178.16 178.81 1upm h VAL 145 N 0.07 1.00 0.00 1.81 2.07 -1.01 -1.94 116.25 118.25 1upm h VAL 145 Ca -0.25 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1upm h VAL 145 Cb 2.01 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1upm h VAL 145 CO 0.16 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.23 1upm n LYS 146 N -4.54 0.21 0.00 1.57 4.76 -0.89 -2.48 118.16 116.79 1upm n LYS 146 Ca 0.16 0.43 0.10 0.00 -2.87 0.00 0.00 58.31 56.13 1upm n LYS 146 Cb 0.27 -1.89 0.60 0.00 -1.84 0.00 0.00 35.03 32.17 1upm n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1upm n THR 147 N -2.29 0.00 -4.37 -0.18 -2.24 -0.73 -4.88 114.28 99.59 1upm n THR 147 Ca 0.02 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.52 1upm n THR 147 Cb 0.24 -0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 67.85 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 2.37 0.16 4.78 0.08 -1.03 -3.26 117.98 119.08 1upm s PHE 148 Ca 0.30 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1upm s PHE 148 Cb 0.14 -1.25 -0.02 0.00 -0.57 0.00 0.00 43.02 41.32 1upm s PHE 148 CO 0.23 0.39 1.37 0.37 -0.10 0.00 0.00 175.22 177.48 1upm h GLN 149 N 3.67 0.27 0.00 0.44 4.15 -1.87 -3.50 115.11 118.27 1upm h GLN 149 Ca -0.50 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 58.64 1upm h GLN 149 Cb 1.18 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1upm h GLN 149 CO 0.43 0.99 0.00 0.41 -1.93 0.00 0.00 178.83 178.73 1upm n GLY 150 N 0.85 -1.15 3.64 2.39 0.00 -0.71 -4.84 105.19 105.38 1upm n GLY 150 Ca -0.04 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.49 1.22 -0.27 1.61 -0.02 -1.25 -4.30 135.00 131.50 1upm n PRO 151 Ca 0.00 0.45 -0.03 0.00 -2.02 0.00 0.00 63.50 61.90 1upm n PRO 151 Cb 0.00 -2.22 0.08 0.00 -0.02 0.00 0.00 33.50 31.35 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 1.02 0.92 0.00 0.52 0.11 -1.84 -3.42 132.00 129.31 1upm h PRO 152 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1upm h PRO 152 Cb 1.34 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1upm h PRO 152 CO 0.54 0.61 0.00 0.72 -0.21 0.00 0.00 178.00 179.66 1upm n HIS 153 N -4.61 -0.36 0.00 0.65 8.25 -1.26 -4.69 115.22 113.20 1upm n HIS 153 Ca 0.08 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1upm n HIS 153 Cb 0.07 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 3.04 0.57 0.17 -1.41 0.00 -1.26 -4.53 105.19 101.77 1upm n GLY 154 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 0.67 -0.17 -0.61 2.04 -1.65 -1.70 117.51 116.10 1upm h ILE 155 Ca 0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1upm h ILE 155 Cb 0.00 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1upm h ILE 155 CO 0.00 0.02 0.08 -0.61 0.00 0.00 0.00 178.15 177.64 1upm h GLN 156 N 0.08 0.25 -0.14 2.37 4.15 -1.89 -2.51 115.11 117.42 1upm h GLN 156 Ca 0.20 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.45 1upm h GLN 156 Cb 0.29 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1upm h GLN 156 CO -0.35 0.28 -0.50 -0.39 -1.93 0.00 0.00 178.83 175.94 1upm h VAL 157 N 0.15 1.33 -0.05 2.39 -1.51 -1.75 -2.16 116.25 114.66 1upm h VAL 157 Ca 0.06 -1.73 0.01 0.00 -1.23 0.00 0.00 66.70 63.81 1upm h VAL 157 Cb 0.11 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1upm h VAL 157 CO -0.01 0.53 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.75 1upm h GLU 158 N 0.30 -0.03 -0.61 5.19 4.81 -1.25 0.37 114.58 123.36 1upm h GLU 158 Ca 0.01 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1upm h GLU 158 Cb 0.98 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1upm h GLU 158 CO 0.08 -0.02 0.40 0.00 -0.73 0.00 0.00 179.01 178.75 1upm h ARG 159 N -0.03 0.80 -0.20 1.92 3.08 -1.30 -2.04 114.38 116.61 1upm h ARG 159 Ca 0.03 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1upm h ARG 159 Cb 0.08 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1upm h ARG 159 CO -0.07 0.53 -0.31 -0.44 -1.07 0.00 0.00 179.97 178.60 1upm h ASP 160 N 0.82 0.62 -0.91 7.04 3.32 -0.77 -0.28 116.42 126.26 1upm h ASP 160 Ca 0.22 -0.53 0.10 0.00 0.02 0.00 0.00 57.03 56.84 1upm h ASP 160 Cb -0.09 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.21 1upm h ASP 160 CO -0.05 1.02 0.55 0.11 -1.72 0.00 0.00 179.24 179.15 1upm h LYS 161 N 0.23 0.89 -0.00 3.56 1.79 -0.04 -3.15 116.57 119.85 1upm h LYS 161 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1upm h LYS 161 Cb 0.90 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1upm h LYS 161 CO 0.07 0.59 -0.69 1.28 -1.08 0.00 0.00 179.45 179.63 1upm n LEU 162 N -4.66 1.11 -3.19 2.94 4.77 -0.79 -4.95 117.00 112.22 1upm n LEU 162 Ca 0.15 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.50 1upm n LEU 162 Cb 0.28 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1upm n LEU 162 CO 0.28 0.24 0.14 -3.20 -1.33 0.00 0.00 177.39 173.52 1upm n ASN 163 N -1.08 -6.07 -4.18 -1.43 4.05 -0.18 -4.64 115.26 101.73 1upm n ASN 163 Ca 0.06 -0.41 -0.34 0.00 0.45 0.00 0.00 54.58 54.35 1upm n ASN 163 Cb 0.36 -4.78 -0.15 0.00 1.23 0.00 0.00 39.78 36.44 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 -5.99 3.03 0.01 1.20 1.02 -0.82 -5.03 119.74 113.15 1upm s LYS 164 Ca 0.44 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.61 1upm s LYS 164 Cb -0.20 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1upm s LYS 164 CO 0.55 -0.25 -0.02 0.71 -0.92 0.00 0.00 175.35 175.42 1upm s TYR 165 N 1.33 0.18 0.00 3.18 2.02 -1.26 -4.70 117.35 118.11 1upm s TYR 165 Ca 0.04 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1upm s TYR 165 Cb -0.14 -0.12 0.00 0.00 -0.40 0.00 0.00 41.96 41.30 1upm s TYR 165 CO -0.09 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 1upm n GLY 166 N 2.60 0.91 3.55 0.71 0.00 -1.26 -5.04 105.19 106.66 1upm n GLY 166 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.97 0.70 0.52 1.61 1.70 -1.26 -5.02 118.95 116.23 1upm s ARG 167 Ca 0.00 0.02 -0.20 0.00 -0.47 0.00 0.00 55.73 55.08 1upm s ARG 167 Cb 0.00 0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 1upm s ARG 167 CO 0.00 -0.25 0.80 -2.30 -1.08 0.00 0.00 175.30 172.47 1upm n PRO 168 N 0.45 0.88 -2.37 3.89 -0.02 -1.08 -4.79 135.00 131.96 1upm n PRO 168 Ca -0.10 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 1upm n PRO 168 Cb 0.59 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 -0.36 3.49 -0.13 2.45 1.43 -0.06 -4.93 118.68 120.57 1upm s LEU 169 Ca 0.69 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1upm s LEU 169 Cb -0.49 -4.09 0.01 0.00 0.03 0.00 0.00 46.19 41.66 1upm s LEU 169 CO 0.53 -0.68 -0.19 -0.76 0.23 0.00 0.00 176.35 175.48 1upm s LEU 170 N -4.89 1.98 0.00 1.79 1.43 -1.26 -0.48 118.68 117.24 1upm s LEU 170 Ca 0.50 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1upm s LEU 170 Cb -0.11 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1upm s LEU 170 CO 0.48 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.72 1upm n GLY 171 N 4.19 4.21 3.18 -3.19 0.00 -0.37 -1.25 105.19 111.95 1upm n GLY 171 Ca -0.20 -2.02 0.05 0.00 0.00 0.00 0.00 46.02 43.85 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 2.60 4.31 0.23 0.00 2.01 -1.26 -4.36 115.64 119.17 1upm s THR 173 Ca -0.04 1.89 -0.30 0.00 0.31 0.00 0.00 61.69 63.55 1upm s THR 173 Cb -0.06 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 1upm s THR 173 CO -0.12 0.28 1.30 -0.63 -0.69 0.00 0.00 174.62 174.76 1upm s ILE 174 N 0.09 3.14 0.45 1.82 -1.09 -1.26 -4.36 121.20 119.99 1upm s ILE 174 Ca 0.49 0.98 0.04 0.00 -2.23 0.00 0.00 60.65 59.93 1upm s ILE 174 Cb -0.25 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1upm s ILE 174 CO 0.31 0.17 0.33 0.29 -1.23 0.00 0.00 174.94 174.81 1upm n LYS 175 N 2.24 0.82 -0.55 2.79 4.76 -1.26 -4.41 118.16 122.55 1upm n LYS 175 Ca 0.05 -2.84 0.00 0.00 -2.87 0.00 0.00 58.31 52.64 1upm n LYS 175 Cb 0.43 0.32 0.00 0.00 -1.84 0.00 0.00 35.03 33.93 1upm n LYS 175 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1upm n PRO 176 N -1.55 0.00 -0.16 1.97 -0.01 -1.26 -4.94 135.00 129.04 1upm n PRO 176 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 63.50 63.39 1upm n PRO 176 Cb 0.52 -0.15 -0.03 0.00 -0.01 0.00 0.00 33.50 33.83 1upm n PRO 176 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 175.50 176.36 1upm h LYS 177 N 2.76 -0.25 -6.25 -0.52 1.57 -2.00 -3.43 116.57 108.45 1upm h LYS 177 Ca 0.00 0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 58.21 1upm h LYS 177 Cb 0.00 0.06 -0.17 0.00 0.08 0.00 0.00 32.23 32.19 1upm h LYS 177 CO 0.00 -0.17 -0.79 -0.51 -0.57 0.00 0.00 179.45 177.41 1upm s LEU 178 N -10.57 2.47 0.00 2.94 1.43 -1.26 -4.67 118.68 109.02 1upm s LEU 178 Ca -0.14 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 1upm s LEU 178 Cb 0.13 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1upm s LEU 178 CO 0.67 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.89 1upm n GLY 179 N 0.08 1.67 3.84 -3.19 0.00 -1.26 -5.09 105.19 101.23 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 3.58 0.60 0.99 1.43 -1.26 -5.01 118.68 119.00 1upm s LEU 180 Ca 0.00 1.60 -0.06 0.00 -1.03 0.00 0.00 54.13 54.64 1upm s LEU 180 Cb 0.00 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.72 1upm s LEU 180 CO 0.00 -0.70 0.90 -0.94 0.23 0.00 0.00 176.35 175.85 1upm s SER 181 N -3.09 5.50 0.18 2.29 1.04 -1.26 -4.51 113.70 113.86 1upm s SER 181 Ca 0.59 0.66 -0.17 0.00 0.48 0.00 0.00 55.95 57.52 1upm s SER 181 Cb -0.11 -1.62 0.14 0.00 0.10 0.00 0.00 66.02 64.54 1upm s SER 181 CO 0.34 -1.12 1.64 0.00 0.98 0.00 0.00 173.24 175.08 1upm h ALA 182 N -0.20 0.25 -0.13 5.32 0.00 -1.92 0.14 119.26 122.72 1upm h ALA 182 Ca -0.45 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1upm h ALA 182 Cb 1.26 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1upm h ALA 182 CO 0.60 -0.49 -0.49 -0.22 0.00 0.00 0.00 179.25 178.65 1upm h LYS 183 N -0.05 0.34 -0.21 0.00 3.64 -1.95 -2.65 116.57 115.69 1upm h LYS 183 Ca 0.23 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 1upm h LYS 183 Cb 0.40 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1upm h LYS 183 CO -0.52 0.76 -0.52 -0.91 -2.27 0.00 0.00 179.45 175.99 1upm h ASN 184 N 0.27 0.66 -0.53 4.20 -0.26 -1.81 -1.67 115.58 116.45 1upm h ASN 184 Ca 0.01 -0.34 0.11 0.00 -0.56 0.00 0.00 56.30 55.52 1upm h ASN 184 Cb 0.97 -0.19 -0.10 0.00 -1.06 0.00 0.00 38.32 37.94 1upm h ASN 184 CO 0.08 1.06 -0.15 0.22 -1.06 0.00 0.00 177.43 177.58 1upm h TYR 185 N 0.47 -0.33 -0.61 1.19 3.20 -0.88 -1.71 116.97 118.30 1upm h TYR 185 Ca 0.02 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1upm h TYR 185 Cb 1.07 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 1upm h TYR 185 CO 0.05 -0.24 0.01 0.78 -1.64 0.00 0.00 178.16 177.12 1upm h GLY 186 N -0.02 1.15 0.77 1.82 0.00 -1.34 -0.71 103.07 104.75 1upm h GLY 186 Ca 0.25 -0.83 0.04 0.00 0.00 0.00 0.00 47.33 46.79 1upm h GLY 186 CO -0.55 0.77 0.37 -0.09 0.00 0.00 0.00 176.54 177.04 1upm h ARG 187 N 0.98 0.69 -0.21 4.80 2.43 -1.02 -0.01 114.38 122.04 1upm h ARG 187 Ca 0.18 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1upm h ARG 187 Cb 0.54 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1upm h ARG 187 CO 0.03 0.46 -0.07 0.00 -1.51 0.00 0.00 179.97 178.87 1upm h ALA 188 N 1.31 0.29 -0.56 2.80 0.00 -0.67 -2.77 119.26 119.65 1upm h ALA 188 Ca 0.27 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 188 Cb 0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1upm h ALA 188 CO -0.14 0.09 0.12 0.28 0.00 0.00 0.00 179.25 179.60 1upm h VAL 189 N 0.13 0.67 0.15 0.00 2.07 -0.99 -1.33 116.25 116.96 1upm h VAL 189 Ca 0.05 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1upm h VAL 189 Cb 0.54 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1upm h VAL 189 CO 0.02 0.05 -0.07 0.22 0.02 0.00 0.00 177.57 177.81 1upm h TYR 190 N 0.25 -0.19 -0.87 1.57 3.20 -0.85 -1.37 116.97 118.71 1upm h TYR 190 Ca 0.29 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1upm h TYR 190 Cb 0.42 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1upm h TYR 190 CO -0.24 -0.05 0.46 0.93 -1.64 0.00 0.00 178.16 177.61 1upm h GLU 191 N -0.29 1.24 0.18 1.82 4.39 -1.34 -1.52 114.58 119.05 1upm h GLU 191 Ca -0.02 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1upm h GLU 191 Cb 0.23 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1upm h GLU 191 CO 0.03 0.92 -0.09 0.00 -1.16 0.00 0.00 179.01 178.72 1upm h LEU 193 N -0.25 0.42 -0.65 0.00 4.07 -1.10 -2.72 115.31 115.08 1upm h LEU 193 Ca -0.03 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1upm h LEU 193 Cb 0.19 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1upm h LEU 193 CO 0.04 0.65 0.00 0.08 -1.08 0.00 0.00 178.44 178.13 1upm h ARG 194 N 0.38 0.00 -0.01 1.13 0.11 -1.32 -2.76 114.38 111.91 1upm h ARG 194 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1upm h ARG 194 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1upm h ARG 194 CO 0.04 0.00 -0.24 0.41 0.10 0.00 0.00 179.97 180.28 1upm n GLY 195 N 0.26 -0.24 0.00 0.08 0.00 -1.02 -4.91 105.19 99.35 1upm n GLY 195 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.33 0.45 3.81 -0.02 0.00 -1.04 -2.39 105.19 107.32 1upm n GLY 196 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.03 0.99 1.43 -1.25 -4.83 118.68 118.84 1upm s LEU 197 Ca 0.00 1.80 -0.03 0.00 -1.03 0.00 0.00 54.13 54.88 1upm s LEU 197 Cb 0.00 -4.55 -0.27 0.00 0.03 0.00 0.00 46.19 41.40 1upm s LEU 197 CO 0.00 -0.62 0.72 0.44 0.23 0.00 0.00 176.35 177.12 1upm h ASP 198 N 1.58 0.37 -4.40 2.29 3.32 -1.51 -3.43 116.42 114.64 1upm h ASP 198 Ca -0.49 -0.59 -0.35 0.00 0.02 0.00 0.00 57.03 55.62 1upm h ASP 198 Cb 1.20 -0.12 -0.19 0.00 0.22 0.00 0.00 39.33 40.44 1upm h ASP 198 CO 0.60 1.50 -0.75 -0.36 -1.72 0.00 0.00 179.24 178.51 1upm s PHE 199 N -2.60 1.11 0.00 4.55 0.08 -0.55 -1.69 117.98 118.87 1upm s PHE 199 Ca -0.12 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1upm s PHE 199 Cb 0.07 -0.61 0.00 0.00 -0.57 0.00 0.00 43.02 41.91 1upm s PHE 199 CO 0.83 0.03 0.00 0.25 -0.10 0.00 0.00 175.22 176.23 1upm n THR 200 N 0.84 0.00 -1.92 0.64 -2.24 -0.97 -3.21 114.28 107.42 1upm n THR 200 Ca -0.18 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1upm n THR 200 Cb 0.56 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 6.54 0.70 3.42 1.01 -0.70 -1.01 116.67 127.64 1upm s ASP 202 Ca 0.00 2.81 -0.16 0.00 0.71 0.00 0.00 52.55 55.91 1upm s ASP 202 Cb 0.00 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1upm s ASP 202 CO 0.00 -0.77 1.24 -0.62 0.21 0.00 0.00 175.17 175.23 1upm s ASP 203 N 0.22 4.31 0.52 0.27 -1.08 -1.26 -4.89 116.67 114.77 1upm s ASP 203 Ca 0.58 2.46 0.17 0.00 -0.52 0.00 0.00 52.55 55.24 1upm s ASP 203 Cb -0.44 -2.60 1.31 0.00 -1.46 0.00 0.00 42.92 39.72 1upm s ASP 203 CO 0.49 -2.19 2.15 1.05 0.52 0.00 0.00 175.17 177.19 1upm h GLU 204 N -0.00 0.00 -0.00 4.34 9.09 -1.98 -1.95 114.58 124.07 1upm h GLU 204 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1upm h GLU 204 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1upm h GLU 204 CO 0.51 0.00 -0.75 0.27 0.05 0.00 0.00 179.01 179.09 1upm n ASN 205 N -4.50 0.86 -4.58 3.06 6.94 -1.26 -4.79 115.26 110.99 1upm n ASN 205 Ca -0.03 -0.73 -0.40 0.00 -0.02 0.00 0.00 54.58 53.40 1upm n ASN 205 Cb 0.10 0.65 -0.03 0.00 -2.36 0.00 0.00 39.78 38.14 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 -2.95 3.25 0.00 3.53 1.01 -0.74 -4.84 120.40 119.66 1upm s VAL 206 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1upm s VAL 206 Cb 0.17 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1upm s VAL 206 CO 0.77 -0.37 0.00 0.59 0.00 0.00 0.00 175.10 176.10 1upm n ASN 207 N 12.54 0.00 -3.93 3.32 5.03 -1.26 -4.77 115.26 126.19 1upm n ASN 207 Ca 0.27 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.49 1upm n ASN 207 Cb 0.50 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.09 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 1.00 1.49 0.20 6.41 0.15 -1.26 -4.18 113.70 117.51 1upm s SER 208 Ca 0.00 -0.21 -0.06 0.00 0.70 0.00 0.00 55.95 56.38 1upm s SER 208 Cb 0.00 -0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 1upm s SER 208 CO 0.00 -0.04 0.25 -1.10 1.20 0.00 0.00 173.24 173.55 1upm s GLN 209 N 1.03 1.28 0.41 5.44 1.11 -0.64 -4.93 119.66 123.37 1upm s GLN 209 Ca -0.09 -1.44 0.12 0.00 0.01 0.00 0.00 55.36 53.96 1upm s GLN 209 Cb -0.14 0.34 0.96 0.00 -1.01 0.00 0.00 33.01 33.16 1upm s GLN 209 CO -0.00 -0.46 1.96 -1.35 0.01 0.00 0.00 175.29 175.45 1upm h PRO 210 N 2.52 0.48 0.00 2.91 0.11 -2.01 0.94 132.00 136.95 1upm h PRO 210 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1upm h PRO 210 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1upm h PRO 210 CO 0.47 0.32 0.00 1.97 -0.21 0.00 0.00 178.00 180.55 1upm n PHE 211 N -4.48 0.13 -3.15 0.65 1.16 -1.26 -4.78 117.46 105.74 1upm n PHE 211 Ca 0.11 0.04 0.06 0.00 -1.87 0.00 0.00 57.45 55.78 1upm n PHE 211 Cb 0.36 -0.57 -0.00 0.00 -1.61 0.00 0.00 39.48 37.66 1upm n PHE 211 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1upm s MET 212 N -3.02 0.13 0.33 3.97 0.00 0.32 -4.25 119.30 116.77 1upm s MET 212 Ca 0.12 0.15 -0.21 0.00 0.00 0.00 0.00 55.69 55.75 1upm s MET 212 Cb 0.16 0.07 -0.10 0.00 0.00 0.00 0.00 34.83 34.97 1upm s MET 212 CO 0.49 -0.22 0.85 1.03 0.00 0.00 0.00 175.02 177.17 1upm s ARG 213 N 2.96 4.27 0.19 4.11 1.81 -1.21 -1.62 118.95 129.46 1upm s ARG 213 Ca 0.21 1.01 -0.12 0.00 -1.72 0.00 0.00 55.73 55.11 1upm s ARG 213 Cb -0.03 -2.56 0.15 0.00 -0.45 0.00 0.00 34.95 32.06 1upm s ARG 213 CO -0.20 0.19 1.80 0.11 -0.68 0.00 0.00 175.30 176.52 1upm h TRP 214 N 2.66 0.57 -0.39 -0.53 5.08 -1.91 -2.84 115.95 118.59 1upm h TRP 214 Ca -0.48 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.41 1upm h TRP 214 Cb 1.18 -0.18 -0.02 0.00 -3.00 0.00 0.00 29.16 27.15 1upm h TRP 214 CO 0.62 0.30 -0.16 -0.09 -1.28 0.00 0.00 178.44 177.83 1upm h ARG 215 N 0.60 0.71 -0.57 0.12 2.43 -1.94 0.04 114.38 115.77 1upm h ARG 215 Ca 0.24 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1upm h ARG 215 Cb 0.10 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1upm h ARG 215 CO -0.14 0.83 0.38 -0.44 -1.51 0.00 0.00 179.97 179.09 1upm h ASP 216 N 0.64 0.65 -0.09 -3.80 3.32 -1.95 -2.35 116.42 112.84 1upm h ASP 216 Ca 0.10 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1upm h ASP 216 Cb 0.63 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1upm h ASP 216 CO 0.04 0.47 0.04 -0.09 -1.72 0.00 0.00 179.24 177.98 1upm h ARG 217 N 0.77 0.13 -0.57 3.56 2.43 -1.06 -2.47 114.38 117.17 1upm h ARG 217 Ca 0.21 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 1upm h ARG 217 Cb -0.08 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.36 1upm h ARG 217 CO -0.05 0.20 0.10 0.74 -1.51 0.00 0.00 179.97 179.45 1upm h PHE 218 N 0.03 0.15 -0.32 2.20 -1.00 -0.95 0.08 116.94 117.13 1upm h PHE 218 Ca 0.03 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1upm h PHE 218 Cb 0.12 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1upm h PHE 218 CO -0.03 -0.04 0.15 1.25 -1.61 0.00 0.00 178.31 178.02 1upm h LEU 219 N 0.23 0.42 -0.55 1.54 6.46 -1.37 0.63 115.31 122.67 1upm h LEU 219 Ca 0.29 -0.13 -0.16 0.00 -0.12 0.00 0.00 57.88 57.76 1upm h LEU 219 Cb 0.43 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1upm h LEU 219 CO -0.40 0.43 -0.62 -0.26 -0.62 0.00 0.00 178.44 176.98 1upm h PHE 220 N 0.38 0.49 -0.29 1.25 0.04 -1.00 -2.75 116.94 115.05 1upm h PHE 220 Ca 0.11 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 1upm h PHE 220 Cb 0.13 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1upm h PHE 220 CO -0.02 0.90 -0.25 0.00 -0.60 0.00 0.00 178.31 178.35 1upm h ALA 222 N 1.24 0.25 -0.30 0.00 0.00 -0.76 0.67 119.26 120.36 1upm h ALA 222 Ca 0.07 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 222 Cb 0.69 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1upm h ALA 222 CO 0.05 -0.30 0.10 1.49 0.00 0.00 0.00 179.25 180.59 1upm h GLU 223 N 0.24 0.22 -0.33 0.00 4.81 -1.24 -2.09 114.58 116.19 1upm h GLU 223 Ca 0.08 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1upm h GLU 223 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1upm h GLU 223 CO -0.04 0.14 0.17 0.00 -0.73 0.00 0.00 179.01 178.56 1upm h ALA 224 N 1.19 0.42 -0.76 2.92 0.00 -1.09 -1.70 119.26 120.24 1upm h ALA 224 Ca 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1upm h ALA 224 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1upm h ALA 224 CO -0.14 -0.04 0.26 1.37 0.00 0.00 0.00 179.25 180.69 1upm h LEU 225 N 0.40 1.08 -1.12 0.00 8.10 -0.66 -1.92 115.31 121.20 1upm h LEU 225 Ca 0.11 -0.19 -0.08 0.00 0.11 0.00 0.00 57.88 57.83 1upm h LEU 225 Cb 0.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.00 1upm h LEU 225 CO -0.02 0.99 -0.23 1.88 -4.11 0.00 0.00 178.44 176.95 1upm h TYR 226 N 1.12 0.37 -0.43 0.17 0.05 -1.31 -1.01 116.97 115.93 1upm h TYR 226 Ca 0.25 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.84 1upm h TYR 226 Cb 0.28 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1upm h TYR 226 CO 0.02 0.55 -0.22 -0.22 -1.05 0.00 0.00 178.16 177.24 1upm h LYS 227 N 0.30 0.87 -0.28 4.88 3.64 -0.93 -2.52 116.57 122.53 1upm h LYS 227 Ca 0.05 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.00 1upm h LYS 227 Cb 0.58 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1upm h LYS 227 CO 0.04 1.00 -0.09 0.00 -2.27 0.00 0.00 179.45 178.13 1upm h ALA 228 N 0.99 0.39 -0.67 5.00 0.00 -0.99 -2.48 119.26 121.51 1upm h ALA 228 Ca 0.10 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1upm h ALA 228 Cb 0.76 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1upm h ALA 228 CO 0.06 0.23 0.25 0.37 0.00 0.00 0.00 179.25 180.17 1upm h GLN 229 N 0.32 0.41 -0.20 0.00 4.15 -1.19 -1.49 115.11 117.11 1upm h GLN 229 Ca 0.07 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 1upm h GLN 229 Cb 0.58 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1upm h GLN 229 CO 0.03 0.27 -0.51 0.00 -1.93 0.00 0.00 178.83 176.69 1upm h ALA 230 N 1.48 0.74 -0.22 3.38 0.00 -1.36 0.05 119.26 123.32 1upm h ALA 230 Ca 0.35 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1upm h ALA 230 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1upm h ALA 230 CO -0.35 0.68 0.03 1.49 0.00 0.00 0.00 179.25 181.10 1upm h GLU 231 N 0.43 0.38 0.00 0.00 4.81 -1.09 -3.34 114.58 115.77 1upm h GLU 231 Ca 0.02 -0.10 -0.19 0.00 -0.13 0.00 0.00 59.36 58.96 1upm h GLU 231 Cb 1.04 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1upm h GLU 231 CO 0.10 0.52 -1.46 0.25 -0.73 0.00 0.00 179.01 177.70 1upm n THR 232 N -4.71 1.25 -0.85 0.32 -2.24 -0.59 -4.99 114.28 102.46 1upm n THR 232 Ca -0.04 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1upm n THR 232 Cb 0.20 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 1.42 0.52 3.25 3.38 0.00 -0.01 -5.06 105.19 108.69 1upm n GLY 233 Ca -0.11 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.97 1.54 0.34 1.61 2.02 -1.24 -5.07 118.70 116.94 1upm s GLU 234 Ca 0.00 -0.88 -0.28 0.00 0.02 0.00 0.00 54.97 53.83 1upm s GLU 234 Cb 0.00 -1.59 -0.10 0.00 0.10 0.00 0.00 34.13 32.54 1upm s GLU 234 CO 0.00 0.42 1.30 0.42 0.02 0.00 0.00 175.26 177.42 1upm s ILE 235 N -0.68 2.73 0.14 -1.63 1.01 -1.26 -4.47 121.20 117.05 1upm s ILE 235 Ca 0.08 0.72 0.08 0.00 0.00 0.00 0.00 60.65 61.54 1upm s ILE 235 Cb -0.09 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1upm s ILE 235 CO 0.01 0.16 -0.19 -0.54 0.00 0.00 0.00 174.94 174.38 1upm s LYS 236 N -1.87 1.21 0.05 2.79 -0.14 -1.26 -4.89 119.74 115.64 1upm s LYS 236 Ca 0.50 -1.32 -0.00 0.00 -1.36 0.00 0.00 55.97 53.79 1upm s LYS 236 Cb -0.39 -1.32 -0.04 0.00 -1.68 0.00 0.00 37.83 34.40 1upm s LYS 236 CO 0.52 0.28 -0.04 0.20 -0.76 0.00 0.00 175.35 175.55 1upm s GLY 237 N -2.42 0.48 -0.07 -3.33 0.00 -0.68 -4.81 107.32 96.50 1upm s GLY 237 Ca 0.12 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 43.73 1upm s GLY 237 CO 0.06 -1.21 -0.03 -1.58 0.00 0.00 0.00 173.10 170.35 1upm s HIS 238 N -3.33 0.80 -0.55 1.90 2.46 -1.26 -2.29 115.29 113.02 1upm s HIS 238 Ca 0.03 -0.26 -0.28 0.00 0.47 0.00 0.00 55.06 55.02 1upm s HIS 238 Cb 0.04 -0.81 0.02 0.00 -0.13 0.00 0.00 32.58 31.69 1upm s HIS 238 CO -0.07 -0.30 1.35 0.71 -2.47 0.00 0.00 174.74 173.96 1upm s TYR 239 N 1.56 2.39 -0.03 3.88 2.02 -0.18 -4.73 117.35 122.26 1upm s TYR 239 Ca -0.01 0.49 -0.27 0.00 -0.37 0.00 0.00 57.07 56.90 1upm s TYR 239 Cb -0.13 -4.42 -0.03 0.00 -0.40 0.00 0.00 41.96 36.98 1upm s TYR 239 CO -0.04 -1.86 0.87 -0.51 -1.57 0.00 0.00 175.55 172.44 1upm s LEU 240 N 5.68 4.34 -0.11 -1.29 1.43 -1.20 -1.71 118.68 125.82 1upm s LEU 240 Ca 0.51 1.47 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 1upm s LEU 240 Cb -0.10 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 1upm s LEU 240 CO 0.26 -0.21 0.67 0.21 0.23 0.00 0.00 176.35 177.51 1upm s ASN 241 N 0.93 6.88 0.00 2.29 3.04 -1.26 -1.53 114.94 125.30 1upm s ASN 241 Ca 0.46 1.07 0.21 0.00 0.04 0.00 0.00 52.86 54.64 1upm s ASN 241 Cb -0.20 -2.39 0.06 0.00 -1.54 0.00 0.00 41.25 37.19 1upm s ASN 241 CO 0.24 -0.15 1.07 0.00 -3.04 0.00 0.00 177.10 175.21 1upm n ALA 242 N 4.13 3.07 -1.71 1.71 0.00 -0.63 -4.93 120.51 122.15 1upm n ALA 242 Ca -0.02 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 1upm n ALA 242 Cb 0.51 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 0.41 2.32 -3.69 0.00 -1.04 -1.26 -4.34 114.28 106.68 1upm n THR 243 Ca 0.10 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.58 1upm n THR 243 Cb 0.46 -1.61 0.02 0.00 -1.82 0.00 0.00 70.33 67.38 1upm n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upm n ALA 244 N 0.03 -1.67 0.05 2.41 0.00 -1.26 -4.81 120.51 115.26 1upm n ALA 244 Ca 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 53.44 52.73 1upm n ALA 244 Cb 0.38 0.48 -0.07 0.00 0.00 0.00 0.00 19.45 20.25 1upm n ALA 244 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1upm h GLY 245 N 1.36 0.00 -2.50 0.00 0.00 -1.95 -3.47 103.07 96.52 1upm h GLY 245 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.76 1upm h GLY 245 CO 0.26 0.00 -0.66 -0.51 0.00 0.00 0.00 176.54 175.63 1upm s THR 246 N -2.89 1.05 0.17 4.70 -4.23 -1.26 -5.06 115.64 108.12 1upm s THR 246 Ca -0.02 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 1upm s THR 246 Cb 0.08 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.70 1upm s THR 246 CO 0.80 -0.38 1.67 0.00 -0.54 0.00 0.00 174.62 176.17 1upm h GLU 248 N 0.82 0.13 -0.64 0.00 3.07 -1.99 0.48 114.58 116.45 1upm h GLU 248 Ca 0.18 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1upm h GLU 248 Cb 0.38 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1upm h GLU 248 CO 0.01 0.08 0.15 -0.44 -1.40 0.00 0.00 179.01 177.41 1upm h ASP 249 N 0.13 0.97 -0.41 1.42 5.19 -1.94 -1.00 116.42 120.78 1upm h ASP 249 Ca 0.24 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1upm h ASP 249 Cb 0.34 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 1upm h ASP 249 CO -0.38 0.95 0.25 -0.03 -3.12 0.00 0.00 179.24 176.92 1upm h MET 250 N 0.94 0.56 -0.65 3.56 4.05 -0.88 -2.83 114.93 119.68 1upm h MET 250 Ca 0.20 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1upm h MET 250 Cb 0.36 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1upm h MET 250 CO 0.00 0.42 0.30 0.52 0.23 0.00 0.00 176.91 178.38 1upm h MET 251 N 0.55 0.93 -0.40 0.39 2.86 -0.72 -2.24 114.93 116.31 1upm h MET 251 Ca 0.15 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1upm h MET 251 Cb -0.00 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1upm h MET 251 CO -0.03 0.73 0.16 0.87 1.06 0.00 0.00 176.91 179.70 1upm h LYS 252 N 0.93 0.56 0.05 1.72 1.57 -0.94 -0.17 116.57 120.28 1upm h LYS 252 Ca 0.23 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.68 1upm h LYS 252 Cb 0.12 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1upm h LYS 252 CO -0.03 0.46 -1.07 0.00 -0.57 0.00 0.00 179.45 178.25 1upm h ARG 253 N 0.56 0.46 -0.39 3.15 3.08 -1.31 -2.60 114.38 117.32 1upm h ARG 253 Ca 0.14 -0.56 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 1upm h ARG 253 Cb 0.11 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1upm h ARG 253 CO -0.01 1.20 0.16 0.00 -1.07 0.00 0.00 179.97 180.25 1upm h ALA 254 N 0.59 0.51 -0.78 0.04 0.00 -1.01 -2.37 119.26 116.23 1upm h ALA 254 Ca -0.12 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.79 1upm h ALA 254 Cb 1.73 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 1upm h ALA 254 CO 0.19 0.10 0.36 0.28 0.00 0.00 0.00 179.25 180.18 1upm h VAL 255 N 0.49 0.73 -0.18 0.00 2.07 -1.06 -1.67 116.25 116.63 1upm h VAL 255 Ca 0.13 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 1upm h VAL 255 Cb 0.17 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1upm h VAL 255 CO -0.01 0.10 -0.65 0.15 0.02 0.00 0.00 177.57 177.17 1upm h PHE 256 N 0.54 0.87 -0.39 1.57 3.57 -1.17 -1.75 116.94 120.18 1upm h PHE 256 Ca 0.42 -0.35 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1upm h PHE 256 Cb 0.58 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1upm h PHE 256 CO -0.13 1.14 0.17 0.00 -2.23 0.00 0.00 178.31 177.26 1upm h ALA 257 N 0.78 0.47 -0.39 2.41 0.00 -1.19 -1.27 119.26 120.07 1upm h ALA 257 Ca -0.02 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1upm h ALA 257 Cb 1.24 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1upm h ALA 257 CO 0.13 -0.21 -0.41 -0.09 0.00 0.00 0.00 179.25 178.67 1upm h ARG 258 N 0.35 -0.31 -1.00 0.00 1.12 -1.13 -1.93 114.38 111.48 1upm h ARG 258 Ca 0.17 0.02 0.22 0.00 -1.11 0.00 0.00 59.98 59.28 1upm h ARG 258 Cb 0.11 0.07 -0.11 0.00 -0.01 0.00 0.00 29.97 30.03 1upm h ARG 258 CO -0.15 -0.21 0.61 1.49 -3.11 0.00 0.00 179.97 178.61 1upm h GLU 259 N -0.32 0.63 0.00 0.20 4.81 -0.88 0.22 114.58 119.23 1upm h GLU 259 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1upm h GLU 259 Cb 0.58 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1upm h GLU 259 CO -0.56 0.41 0.00 1.28 -0.73 0.00 0.00 179.01 179.41 1upm n LEU 260 N -4.77 0.06 -0.98 1.64 4.77 -0.52 -4.91 117.00 112.29 1upm n LEU 260 Ca 0.25 0.51 -0.11 0.00 -0.03 0.00 0.00 56.01 56.63 1upm n LEU 260 Cb 0.67 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1upm n LEU 260 CO 0.21 -0.12 -0.12 0.61 -1.33 0.00 0.00 177.39 176.64 1upm n GLY 261 N 0.90 0.68 3.91 -0.72 0.00 0.77 -5.02 105.19 105.72 1upm n GLY 261 Ca 0.06 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1upm n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upm s VAL 262 N -2.45 4.20 -0.26 1.61 -7.23 -1.21 -5.03 120.40 110.03 1upm s VAL 262 Ca 0.00 0.08 0.22 0.00 -1.81 0.00 0.00 61.98 60.47 1upm s VAL 262 Cb 0.00 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 33.35 1upm s VAL 262 CO 0.00 -0.63 1.12 1.55 -0.31 0.00 0.00 175.10 176.83 1upm h PRO 263 N 0.01 0.00 -2.59 4.82 0.13 -1.92 -3.45 132.00 129.00 1upm h PRO 263 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1upm h PRO 263 Cb 1.23 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 1upm h PRO 263 CO 0.61 0.02 -0.24 -1.50 -0.23 0.00 0.00 178.00 176.66 1upm s ILE 264 N -3.32 -0.02 0.51 -3.56 2.07 -1.26 -1.59 121.20 114.04 1upm s ILE 264 Ca 0.01 0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 1upm s ILE 264 Cb 0.09 -0.65 0.01 0.00 0.13 0.00 0.00 42.46 42.03 1upm s ILE 264 CO 0.77 0.02 0.21 0.68 -1.91 0.00 0.00 174.94 174.72 1upm s VAL 265 N 1.09 1.55 0.06 4.00 -7.23 -0.50 -3.26 120.40 116.10 1upm s VAL 265 Ca -0.07 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1upm s VAL 265 Cb -0.07 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1upm s VAL 265 CO -0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 174.64 1upm s MET 266 N -4.07 0.59 0.01 4.82 0.23 -0.58 -0.66 119.30 119.64 1upm s MET 266 Ca 0.24 -0.98 -0.01 0.00 -1.03 0.00 0.00 55.69 53.90 1upm s MET 266 Cb 0.00 -0.09 -0.01 0.00 -1.53 0.00 0.00 34.83 33.20 1upm s MET 266 CO 0.14 -0.02 0.01 -1.58 -2.03 0.00 0.00 175.02 171.54 1upm s HIS 267 N -2.52 0.17 -0.62 3.16 5.04 -0.50 -1.61 115.29 118.42 1upm s HIS 267 Ca -0.02 -0.36 -0.16 0.00 -1.54 0.00 0.00 55.06 52.98 1upm s HIS 267 Cb -0.02 -0.13 0.14 0.00 0.04 0.00 0.00 32.58 32.61 1upm s HIS 267 CO -0.03 -0.17 0.61 -0.51 -2.34 0.00 0.00 174.74 172.29 1upm s ASP 268 N -1.17 6.32 0.20 9.88 1.01 -1.26 -1.28 116.67 130.36 1upm s ASP 268 Ca -0.13 -1.91 0.09 0.00 0.71 0.00 0.00 52.55 51.31 1upm s ASP 268 Cb -0.08 -2.23 0.06 0.00 1.01 0.00 0.00 42.92 41.68 1upm s ASP 268 CO -0.00 -0.86 1.44 0.10 0.21 0.00 0.00 175.17 176.06 1upm h TYR 269 N 8.72 0.00 0.14 4.23 -0.00 -1.86 0.19 116.97 128.39 1upm h TYR 269 Ca -0.21 0.00 -0.31 0.00 -0.00 0.00 0.00 58.73 58.21 1upm h TYR 269 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.82 1upm h TYR 269 CO 0.82 0.81 -1.52 -0.07 -0.00 0.00 0.00 178.16 178.20 1upm h LEU 270 N 0.00 0.47 0.03 0.10 3.38 -1.81 0.14 115.31 117.62 1upm h LEU 270 Ca -0.01 -0.62 -0.27 0.00 0.09 0.00 0.00 57.88 57.07 1upm h LEU 270 Cb 1.45 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 42.06 1upm h LEU 270 CO 0.10 1.51 -1.14 0.71 0.09 0.00 0.00 178.44 179.72 1upm h THR 271 N 0.08 1.32 -0.34 0.22 1.35 -1.68 -3.17 112.91 110.69 1upm h THR 271 Ca -0.24 -2.46 -0.04 0.00 -0.55 0.00 0.00 66.41 63.12 1upm h THR 271 Cb 2.04 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 71.03 1upm h THR 271 CO 0.18 0.74 0.06 1.23 -0.25 0.00 0.00 175.52 177.49 1upm h GLY 272 N 0.63 0.59 0.00 5.82 0.00 -0.79 -3.50 103.07 105.82 1upm h GLY 272 Ca -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1upm h GLY 272 CO 0.21 0.36 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1upm n GLY 273 N -0.51 1.82 0.14 4.60 0.00 0.49 -4.69 105.19 107.04 1upm n GLY 273 Ca -0.02 -1.96 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 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 0.73 -0.29 1.61 0.04 -1.89 -0.60 116.94 116.54 1upm h PHE 274 Ca 0.00 -0.50 0.07 0.00 2.80 0.00 0.00 57.97 60.34 1upm h PHE 274 Cb 0.00 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.03 1upm h PHE 274 CO 0.00 1.37 -0.21 1.15 -0.60 0.00 0.00 178.31 180.02 1upm h THR 275 N -0.12 0.44 -0.26 -1.55 2.02 -1.94 -0.63 112.91 110.87 1upm h THR 275 Ca -0.16 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1upm h THR 275 Cb 1.74 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1upm h THR 275 CO 0.19 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.85 1upm h ALA 276 N 0.95 1.11 -0.20 6.16 0.00 -1.83 -3.01 119.26 122.45 1upm h ALA 276 Ca 0.15 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1upm h ALA 276 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1upm h ALA 276 CO -0.40 0.55 -0.39 -0.97 0.00 0.00 0.00 179.25 178.04 1upm h ASN 277 N 0.44 0.47 -0.25 0.00 -0.73 -0.60 -2.53 115.58 112.39 1upm h ASN 277 Ca 0.07 -0.20 -0.07 0.00 1.87 0.00 0.00 56.30 57.96 1upm h ASN 277 Cb 0.65 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 1upm h ASN 277 CO 0.05 0.82 -0.13 0.74 -0.37 0.00 0.00 177.43 178.53 1upm h THR 278 N 0.37 1.30 -0.60 -3.57 2.02 -1.07 0.60 112.91 111.96 1upm h THR 278 Ca 0.04 -1.22 0.12 0.00 0.77 0.00 0.00 66.41 66.12 1upm h THR 278 Cb 0.85 1.56 -0.11 0.00 -1.74 0.00 0.00 68.15 68.72 1upm h THR 278 CO 0.07 0.38 -0.05 0.74 0.37 0.00 0.00 175.52 177.03 1upm h THR 279 N 0.26 0.47 -0.05 3.16 2.02 -1.48 -1.24 112.91 116.04 1upm h THR 279 Ca 0.05 -0.03 -0.22 0.00 0.77 0.00 0.00 66.41 66.99 1upm h THR 279 Cb 0.64 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1upm h THR 279 CO 0.04 0.01 -0.86 0.25 0.37 0.00 0.00 175.52 175.33 1upm h LEU 280 N 0.07 0.63 -0.46 2.58 5.85 -1.12 -2.32 115.31 120.55 1upm h LEU 280 Ca 0.31 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.64 1upm h LEU 280 Cb 0.49 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1upm h LEU 280 CO -0.55 1.24 0.09 -1.28 -0.34 0.00 0.00 178.44 177.60 1upm h SER 281 N 0.31 -0.00 -0.67 1.25 0.87 -0.48 -0.52 113.55 114.31 1upm h SER 281 Ca -0.07 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1upm h SER 281 Cb 1.48 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.52 1upm h SER 281 CO 0.16 0.03 0.31 0.45 -0.53 0.00 0.00 176.83 177.24 1upm h HIS 282 N 0.22 1.00 -0.44 2.24 3.86 -1.12 -2.17 115.15 118.74 1upm h HIS 282 Ca 0.23 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1upm h HIS 282 Cb 0.30 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1upm h HIS 282 CO -0.22 0.75 -0.04 -0.92 0.86 0.00 0.00 177.93 178.36 1upm h TYR 283 N 0.99 0.89 -0.35 2.45 3.20 -1.31 -1.06 116.97 121.78 1upm h TYR 283 Ca 0.24 -0.17 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 1upm h TYR 283 Cb 0.14 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1upm h TYR 283 CO 0.01 0.88 -0.22 0.00 -1.64 0.00 0.00 178.16 177.20 1upm h ARG 285 N 0.59 0.30 0.00 0.00 9.65 -1.26 -1.69 114.38 121.98 1upm h ARG 285 Ca 0.09 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1upm h ARG 285 Cb 0.69 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1upm h ARG 285 CO 0.05 0.30 0.00 -0.25 2.80 0.00 0.00 179.97 182.87 1upm n ASP 286 N -4.87 0.36 -0.02 -3.80 8.00 -0.41 -3.37 116.55 112.44 1upm n ASP 286 Ca -0.03 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.12 1upm n ASP 286 Cb 0.08 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 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 -1.96 0.51 -0.78 -2.24 3.02 -0.89 -5.03 115.26 107.89 1upm n ASN 287 Ca -0.00 -1.31 -0.09 0.00 -0.03 0.00 0.00 54.58 53.15 1upm n ASN 287 Cb 0.06 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.14 0.65 3.69 7.41 0.00 -0.71 -5.02 105.19 111.07 1upm n GLY 288 Ca 0.00 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.15 4.17 0.37 0.99 1.43 -0.76 -4.96 118.68 117.77 1upm s LEU 289 Ca 0.00 0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 53.10 1upm s LEU 289 Cb 0.00 -2.22 -0.11 0.00 0.03 0.00 0.00 46.19 43.89 1upm s LEU 289 CO 0.00 0.07 1.49 -0.76 0.23 0.00 0.00 176.35 177.38 1upm s LEU 290 N 0.83 4.32 -0.35 1.79 1.43 -0.62 -4.61 118.68 121.47 1upm s LEU 290 Ca 0.11 3.04 0.02 0.00 -1.03 0.00 0.00 54.13 56.27 1upm s LEU 290 Cb -0.13 -3.67 0.10 0.00 0.03 0.00 0.00 46.19 42.52 1upm s LEU 290 CO 0.03 -0.87 0.08 -0.22 0.23 0.00 0.00 176.35 175.61 1upm s LEU 291 N -2.04 4.83 -0.07 1.79 2.96 -1.26 -1.41 118.68 123.48 1upm s LEU 291 Ca 0.53 -2.08 -0.27 0.00 -0.22 0.00 0.00 54.13 52.09 1upm s LEU 291 Cb -0.46 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1upm s LEU 291 CO 0.62 -0.41 0.86 -2.28 -1.32 0.00 0.00 176.35 173.82 1upm s HIS 292 N 0.97 3.57 -0.19 5.38 5.65 0.16 -0.43 115.29 130.40 1upm s HIS 292 Ca 0.09 1.45 -0.04 0.00 0.25 0.00 0.00 55.06 56.81 1upm s HIS 292 Cb -0.20 -3.00 -0.02 0.00 -1.18 0.00 0.00 32.58 28.18 1upm s HIS 292 CO -0.07 -0.05 -0.02 0.42 -0.65 0.00 0.00 174.74 174.37 1upm s ILE 293 N 1.30 3.78 -0.14 0.89 -1.09 -0.81 -1.41 121.20 123.72 1upm s ILE 293 Ca 0.44 -0.38 -0.07 0.00 -2.23 0.00 0.00 60.65 58.41 1upm s ILE 293 Cb -0.19 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 1upm s ILE 293 CO 0.20 0.45 0.12 -2.28 -1.23 0.00 0.00 174.94 172.20 1upm s HIS 294 N 0.91 3.51 -0.36 3.97 5.65 -0.40 -3.09 115.29 125.48 1upm s HIS 294 Ca 0.00 0.44 0.08 0.00 0.25 0.00 0.00 55.06 55.84 1upm s HIS 294 Cb -0.14 -1.99 0.67 0.00 -1.18 0.00 0.00 32.58 29.94 1upm s HIS 294 CO 0.01 0.59 1.72 2.89 -0.65 0.00 0.00 174.74 179.30 1upm n ARG 295 N 2.42 3.39 -1.44 2.88 1.85 -1.26 -2.89 116.66 121.60 1upm n ARG 295 Ca -0.19 -2.77 -0.53 0.00 -1.00 0.00 0.00 57.85 53.37 1upm n ARG 295 Cb 0.54 -2.13 -0.05 0.00 -1.05 0.00 0.00 32.46 29.77 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 -0.16 -3.16 0.00 2.89 0.00 -1.26 -1.13 120.51 117.68 1upm n ALA 296 Ca 0.39 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1upm n ALA 296 Cb 1.32 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.21 0.00 -0.24 0.00 0.00 -1.26 -4.19 117.12 112.64 1upm n MET 297 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.88 1upm n MET 297 Cb 0.18 -0.93 0.11 0.00 0.00 0.00 0.00 33.22 32.58 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 0.69 0.00 1.12 -0.00 -1.55 -2.51 115.15 112.91 1upm h HIS 298 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1upm h HIS 298 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.20 1upm h HIS 298 CO 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 177.93 178.25 1upm h ALA 299 N 1.37 1.00 -0.83 6.11 0.00 -1.93 0.19 119.26 125.17 1upm h ALA 299 Ca 0.32 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1upm h ALA 299 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1upm h ALA 299 CO -0.20 0.00 0.55 0.28 0.00 0.00 0.00 179.25 179.88 1upm h VAL 300 N 0.00 1.18 0.09 0.00 2.07 -1.87 -3.13 116.25 114.59 1upm h VAL 300 Ca 0.00 -0.37 -0.37 0.00 0.82 0.00 0.00 66.70 66.78 1upm h VAL 300 Cb 0.20 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1upm h VAL 300 CO 0.00 0.20 -2.13 -0.38 0.02 0.00 0.00 177.57 175.27 1upm n ILE 301 N -4.43 1.70 0.02 4.57 5.41 -0.10 -4.74 119.36 121.79 1upm n ILE 301 Ca 0.10 -0.64 0.05 0.00 1.00 0.00 0.00 62.75 63.27 1upm n ILE 301 Cb 0.06 -1.63 0.11 0.00 -0.71 0.00 0.00 39.64 37.48 1upm n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1upm n ASP 302 N -3.41 2.56 0.01 4.38 5.68 -0.30 -2.43 116.55 123.02 1upm n ASP 302 Ca -0.36 -1.83 -0.18 0.00 -0.50 0.00 0.00 54.79 51.93 1upm n ASP 302 Cb 1.03 -0.15 -0.12 0.00 -1.14 0.00 0.00 41.12 40.74 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 1.93 0.30 -6.23 0.11 9.65 -1.80 -3.42 114.38 114.93 1upm h ARG 303 Ca 0.00 -0.38 -0.57 0.00 -1.10 0.00 0.00 59.98 57.93 1upm h ARG 303 Cb 0.63 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.29 1upm h ARG 303 CO 0.00 1.10 -0.08 -0.65 2.80 0.00 0.00 179.97 183.14 1upm s GLN 304 N -2.89 4.09 0.33 0.20 -1.52 -1.26 -4.35 119.66 114.25 1upm s GLN 304 Ca -0.14 0.61 0.09 0.00 -1.95 0.00 0.00 55.36 53.97 1upm s GLN 304 Cb 0.02 -3.14 0.56 0.00 -0.22 0.00 0.00 33.01 30.23 1upm s GLN 304 CO 0.80 0.60 1.76 -0.22 -0.25 0.00 0.00 175.29 177.98 1upm h LYS 305 N 4.27 0.17 0.00 2.91 3.64 -1.89 -3.25 116.57 122.41 1upm h LYS 305 Ca -0.50 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 58.70 1upm h LYS 305 Cb 1.21 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1upm h LYS 305 CO 0.64 0.52 -0.64 -2.95 -2.27 0.00 0.00 179.45 174.75 1upm h ASN 306 N 0.15 0.00 -3.50 4.20 -1.07 -1.95 -3.46 115.58 109.94 1upm h ASN 306 Ca 0.02 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.28 1upm h ASN 306 Cb 0.72 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 36.72 1upm h ASN 306 CO 0.05 0.48 -0.24 -2.28 0.07 0.00 0.00 177.43 175.51 1upm s HIS 307 N -2.97 -0.57 -0.26 4.14 5.04 -1.23 -3.38 115.29 116.05 1upm s HIS 307 Ca 0.03 1.28 0.00 0.00 -1.54 0.00 0.00 55.06 54.83 1upm s HIS 307 Cb 0.08 0.24 0.00 0.00 0.04 0.00 0.00 32.58 32.94 1upm s HIS 307 CO 0.75 -0.30 0.00 0.41 -2.34 0.00 0.00 174.74 173.26 1upm n GLY 308 N 3.65 0.20 2.83 1.59 0.00 -0.22 -4.44 105.19 108.80 1upm n GLY 308 Ca -0.19 -1.71 -0.14 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 -0.63 -0.00 0.51 1.61 -1.94 -1.02 -1.13 119.30 116.69 1upm s MET 309 Ca 0.00 0.12 -0.20 0.00 -1.71 0.00 0.00 55.69 53.90 1upm s MET 309 Cb 0.00 -0.13 -0.07 0.00 2.01 0.00 0.00 34.83 36.64 1upm s MET 309 CO 0.00 -0.09 1.10 -1.58 -0.01 0.00 0.00 175.02 174.43 1upm s HIS 310 N 0.59 2.83 0.53 -0.03 2.46 -0.32 -3.62 115.29 117.73 1upm s HIS 310 Ca -0.05 1.56 0.27 0.00 0.47 0.00 0.00 55.06 57.31 1upm s HIS 310 Cb -0.07 -3.21 1.41 0.00 -0.13 0.00 0.00 32.58 30.58 1upm s HIS 310 CO -0.02 -1.25 1.94 0.35 -2.47 0.00 0.00 174.74 173.29 1upm h PHE 311 N 1.47 0.04 -0.50 3.88 3.57 -1.92 -1.54 116.94 121.93 1upm h PHE 311 Ca -0.50 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1upm h PHE 311 Cb 1.24 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1upm h PHE 311 CO 0.54 0.01 0.28 0.07 -2.23 0.00 0.00 178.31 176.98 1upm h ARG 312 N 0.03 0.68 -0.41 1.11 0.11 -1.91 0.34 114.38 114.33 1upm h ARG 312 Ca 0.34 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 60.26 1upm h ARG 312 Cb 1.30 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 1upm h ARG 312 CO -0.01 0.49 -0.12 0.28 0.10 0.00 0.00 179.97 180.71 1upm h VAL 313 N 0.69 1.28 -0.06 0.08 2.07 -1.54 -1.72 116.25 117.05 1upm h VAL 313 Ca 0.18 -1.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 1upm h VAL 313 Cb 0.01 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1upm h VAL 313 CO -0.03 0.41 -0.41 -0.07 0.02 0.00 0.00 177.57 177.49 1upm h LEU 314 N 0.62 0.13 -0.37 2.57 3.38 -1.21 -1.07 115.31 119.36 1upm h LEU 314 Ca 0.10 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1upm h LEU 314 Cb 0.65 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1upm h LEU 314 CO 0.04 0.53 -0.58 0.00 0.09 0.00 0.00 178.44 178.53 1upm h ALA 315 N 1.47 0.54 -0.47 1.53 0.00 -0.25 -2.74 119.26 119.35 1upm h ALA 315 Ca 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1upm h ALA 315 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1upm h ALA 315 CO 0.06 0.69 -0.12 0.87 0.00 0.00 0.00 179.25 180.75 1upm h LYS 316 N 0.56 0.90 -1.00 0.00 1.57 -0.95 -2.06 116.57 115.58 1upm h LYS 316 Ca 0.00 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1upm h LYS 316 Cb 1.16 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 1upm h LYS 316 CO 0.12 1.00 0.66 0.00 -0.57 0.00 0.00 179.45 180.66 1upm h ALA 317 N 0.88 1.28 -0.51 3.86 0.00 -1.24 -2.12 119.26 121.41 1upm h ALA 317 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1upm h ALA 317 Cb 0.67 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1upm h ALA 317 CO 0.05 0.64 -0.11 1.25 0.00 0.00 0.00 179.25 181.07 1upm h LEU 318 N 1.34 0.99 -1.32 0.00 7.12 -1.15 -1.37 115.31 120.91 1upm h LEU 318 Ca 0.37 -0.36 0.06 0.00 0.13 0.00 0.00 57.88 58.09 1upm h LEU 318 Cb -0.12 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 39.69 1upm h LEU 318 CO -0.09 1.11 0.50 -0.09 -0.13 0.00 0.00 178.44 179.74 1upm h ARG 319 N 0.84 0.80 0.44 1.25 2.43 -0.95 0.30 114.38 119.50 1upm h ARG 319 Ca 0.13 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1upm h ARG 319 Cb 0.68 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1upm h ARG 319 CO 0.05 0.53 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.76 1upm h LEU 320 N 0.82 -0.50 -0.35 3.80 3.38 -0.99 -3.31 115.31 118.17 1upm h LEU 320 Ca 0.33 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.39 1upm h LEU 320 Cb 0.23 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1upm h LEU 320 CO -0.11 -0.11 -0.25 -1.28 0.09 0.00 0.00 178.44 176.78 1upm h SER 321 N -1.07 -0.82 0.00 -0.43 0.87 -1.19 -1.89 113.55 109.02 1upm h SER 321 Ca -0.06 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1upm h SER 321 Cb 0.45 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1upm h SER 321 CO 0.10 -0.27 0.00 0.61 -0.53 0.00 0.00 176.83 176.74 1upm n GLY 322 N -1.39 4.06 3.51 5.77 0.00 0.11 -4.42 105.19 112.82 1upm n GLY 322 Ca 0.01 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.45 0.04 -0.02 0.00 -1.25 -4.76 107.32 100.88 1upm s GLY 323 Ca 0.00 1.13 0.18 0.00 0.00 0.00 0.00 44.72 46.02 1upm s GLY 323 CO 0.00 0.42 0.74 1.22 0.00 0.00 0.00 173.10 175.48 1upm n ASP 324 N -0.12 0.71 -4.24 1.64 8.00 0.43 -4.46 116.55 118.52 1upm n ASP 324 Ca -0.09 0.31 -0.21 0.00 0.71 0.00 0.00 54.79 55.51 1upm n ASP 324 Cb 0.61 0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.99 1upm n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1upm s HIS 325 N -2.96 1.53 -0.03 1.24 3.76 -1.09 -1.90 115.29 115.83 1upm s HIS 325 Ca -0.04 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.30 1upm s HIS 325 Cb 0.09 -0.83 0.02 0.00 1.11 0.00 0.00 32.58 32.96 1upm s HIS 325 CO 0.82 0.16 0.24 -1.50 -0.85 0.00 0.00 174.74 173.61 1upm s ILE 326 N -1.44 0.05 0.26 0.60 2.07 -0.68 -1.92 121.20 120.13 1upm s ILE 326 Ca 0.05 -0.41 -0.30 0.00 -1.41 0.00 0.00 60.65 58.58 1upm s ILE 326 Cb -0.09 -0.49 -0.09 0.00 0.13 0.00 0.00 42.46 41.92 1upm s ILE 326 CO 0.04 -0.22 1.09 -1.00 -1.91 0.00 0.00 174.94 172.93 1upm s HIS 327 N -0.93 3.61 0.00 3.50 3.76 -1.18 0.33 115.29 124.38 1upm s HIS 327 Ca -0.10 1.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.50 1upm s HIS 327 Cb -0.05 -3.26 0.00 0.00 1.11 0.00 0.00 32.58 30.38 1upm s HIS 327 CO 0.02 -0.50 0.08 -1.13 -0.85 0.00 0.00 174.74 172.36 1upm n SER 328 N 1.47 0.15 0.00 1.40 3.41 -0.65 -4.77 113.62 114.62 1upm n SER 328 Ca -0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1upm n SER 328 Cb 0.45 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 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 0.70 0.85 0.00 5.00 0.00 -1.25 -4.90 105.19 105.60 1upm n GLY 329 Ca 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 1.23 0.00 0.00 2.61 -2.24 -1.26 -4.39 114.28 110.22 1upm n THR 330 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1upm n THR 330 Cb 0.00 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.79 0.00 1.03 2.28 0.31 -1.26 -4.43 118.33 114.47 1upm n VAL 331 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1upm n VAL 331 Cb 0.26 0.00 0.28 0.00 -0.91 0.00 0.00 33.84 33.46 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 -0.47 2.52 0.24 -1.26 -4.60 118.33 114.76 1upm n VAL 332 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1upm n VAL 332 Cb 0.00 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 1.48 1.66 0.10 7.63 0.00 -1.26 -4.22 105.19 110.58 1upm n GLY 333 Ca 0.06 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 -6.41 1.61 2.10 -1.33 -3.44 116.57 109.10 1upm h LYS 334 Ca 0.00 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 58.01 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 -0.69 -0.51 -2.00 0.00 0.00 179.45 176.25 1upm s LEU 335 N -4.83 3.29 0.30 7.07 1.43 -1.26 -5.05 118.68 119.63 1upm s LEU 335 Ca 0.04 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 1upm s LEU 335 Cb 0.11 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 1upm s LEU 335 CO 0.73 0.15 1.29 -0.70 0.23 0.00 0.00 176.35 178.05 1upm s GLU 336 N -2.45 4.39 -0.30 1.70 2.12 -1.26 -4.67 118.70 118.23 1upm s GLU 336 Ca 0.25 2.15 -0.15 0.00 0.36 0.00 0.00 54.97 57.57 1upm s GLU 336 Cb -0.11 -3.11 0.18 0.00 0.26 0.00 0.00 34.13 31.35 1upm s GLU 336 CO 0.17 -0.17 1.12 0.20 -0.54 0.00 0.00 175.26 176.04 1upm s GLY 337 N -0.34 -0.14 0.28 -1.50 0.00 -1.26 -4.89 107.32 99.47 1upm s GLY 337 Ca 0.50 3.07 -0.29 0.00 0.00 0.00 0.00 44.72 48.00 1upm s GLY 337 CO 0.48 3.64 1.17 -0.54 0.00 0.00 0.00 173.10 177.86 1upm s GLU 338 N 2.68 4.54 0.15 2.90 0.41 -1.26 -3.98 118.70 124.13 1upm s GLU 338 Ca -0.02 1.93 -0.23 0.00 -0.41 0.00 0.00 54.97 56.24 1upm s GLU 338 Cb -0.07 -3.16 0.03 0.00 -1.78 0.00 0.00 34.13 29.14 1upm s GLU 338 CO -0.13 0.05 1.62 -0.09 -0.49 0.00 0.00 175.26 176.23 1upm h ARG 339 N 3.92 -0.26 -0.28 1.61 2.43 -1.98 -2.08 114.38 117.74 1upm h ARG 339 Ca -0.47 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 1upm h ARG 339 Cb 1.22 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1upm h ARG 339 CO 0.68 -0.18 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.31 1upm h ASP 340 N -0.27 0.66 -0.70 -3.80 3.32 -1.93 -1.37 116.42 112.34 1upm h ASP 340 Ca 0.13 -0.45 0.06 0.00 0.02 0.00 0.00 57.03 56.79 1upm h ASP 340 Cb 0.48 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1upm h ASP 340 CO -0.40 0.97 0.46 0.40 -1.72 0.00 0.00 179.24 178.95 1upm h ILE 341 N 0.37 1.04 -0.10 0.35 2.04 -1.75 -2.26 117.51 117.19 1upm h ILE 341 Ca 0.05 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 1upm h ILE 341 Cb 0.76 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1upm h ILE 341 CO 0.06 0.14 -0.40 0.74 0.00 0.00 0.00 178.15 178.68 1upm h THR 342 N 0.75 1.38 -0.89 -0.27 2.02 -1.08 -2.57 112.91 112.26 1upm h THR 342 Ca 0.30 -1.74 0.03 0.00 0.77 0.00 0.00 66.41 65.76 1upm h THR 342 Cb 0.21 2.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 1upm h THR 342 CO -0.09 0.52 0.58 -0.07 0.37 0.00 0.00 175.52 176.82 1upm h LEU 343 N 0.03 0.97 -0.23 2.58 3.38 -1.13 -0.19 115.31 120.72 1upm h LEU 343 Ca -0.02 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1upm h LEU 343 Cb 1.04 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1upm h LEU 343 CO 0.08 0.67 -0.50 1.23 0.09 0.00 0.00 178.44 180.02 1upm h GLY 344 N 1.13 -1.12 1.83 0.83 0.00 -1.30 -1.90 103.07 102.55 1upm h GLY 344 Ca 0.35 0.70 -0.02 0.00 0.00 0.00 0.00 47.33 48.36 1upm h GLY 344 CO -0.11 -0.21 -0.26 0.27 0.00 0.00 0.00 176.54 176.23 1upm h PHE 345 N -0.46 0.00 -0.41 5.60 -5.15 -1.09 -2.07 116.94 113.36 1upm h PHE 345 Ca 0.04 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 1upm h PHE 345 Cb 0.59 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.74 1upm h PHE 345 CO -0.64 0.10 0.27 0.28 -2.00 0.00 0.00 178.31 176.33 1upm h VAL 346 N 0.00 1.11 -0.87 0.88 2.07 -0.98 -1.77 116.25 116.70 1upm h VAL 346 Ca -0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1upm h VAL 346 Cb 1.08 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1upm h VAL 346 CO 0.01 0.10 0.51 0.44 0.02 0.00 0.00 177.57 178.65 1upm h ASP 347 N 0.56 1.06 0.13 0.57 3.32 -1.00 -1.67 116.42 119.38 1upm h ASP 347 Ca 0.15 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1upm h ASP 347 Cb -0.06 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 1upm h ASP 347 CO -0.03 0.83 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.19 1upm h LEU 348 N 1.20 0.00 0.07 1.55 3.38 -1.14 -2.01 115.31 118.35 1upm h LEU 348 Ca 0.31 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.96 1upm h LEU 348 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1upm h LEU 348 CO -0.06 0.06 -1.74 -0.07 0.09 0.00 0.00 178.44 176.72 1upm h LEU 349 N 0.00 0.22 0.00 1.67 3.38 -0.77 -3.42 115.31 116.38 1upm h LEU 349 Ca -0.00 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.40 1upm h LEU 349 Cb 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1upm h LEU 349 CO 0.01 1.38 -1.97 0.54 0.09 0.00 0.00 178.44 178.49 1upm n ARG 350 N -3.28 0.66 -3.85 1.13 1.74 -0.68 -1.03 116.66 111.35 1upm n ARG 350 Ca -0.21 -0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 56.61 1upm n ARG 350 Cb 1.05 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.87 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 -5.07 5.74 0.40 0.55 1.01 -0.77 -4.51 116.67 114.04 1upm s ASP 351 Ca -0.07 -0.23 0.24 0.00 0.71 0.00 0.00 52.55 53.20 1upm s ASP 351 Cb 0.10 -1.35 0.46 0.00 1.01 0.00 0.00 42.92 43.15 1upm s ASP 351 CO 0.86 -0.22 1.65 -0.78 0.21 0.00 0.00 175.17 176.89 1upm h ASP 352 N 1.21 0.00 -3.27 0.27 3.58 -1.91 -3.45 116.42 112.86 1upm h ASP 352 Ca -0.48 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 1upm h ASP 352 Cb 1.24 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 42.06 1upm h ASP 352 CO 0.58 0.00 -0.09 -0.47 -2.88 0.00 0.00 179.24 176.38 1upm s TYR 353 N -3.21 -0.83 -0.03 0.28 5.04 -1.26 -0.86 117.35 116.48 1upm s TYR 353 Ca 0.07 1.75 -0.01 0.00 -2.44 0.00 0.00 57.07 56.44 1upm s TYR 353 Cb 0.06 0.43 0.03 0.00 0.35 0.00 0.00 41.96 42.84 1upm s TYR 353 CO 0.65 -0.43 0.05 0.99 -1.34 0.00 0.00 175.55 175.47 1upm s THR 354 N 1.29 -0.07 0.29 4.34 2.01 -0.53 -5.02 115.64 117.95 1upm s THR 354 Ca -0.08 0.34 -0.24 0.00 0.31 0.00 0.00 61.69 62.02 1upm s THR 354 Cb -0.06 -0.14 -0.09 0.00 0.01 0.00 0.00 72.50 72.22 1upm s THR 354 CO -0.13 0.15 0.88 -0.70 -0.69 0.00 0.00 174.62 174.13 1upm s GLU 355 N 1.77 4.50 0.02 4.92 2.12 -1.26 -1.22 118.70 129.55 1upm s GLU 355 Ca -0.00 1.21 -0.30 0.00 0.36 0.00 0.00 54.97 56.24 1upm s GLU 355 Cb -0.12 -2.84 -0.15 0.00 0.26 0.00 0.00 34.13 31.27 1upm s GLU 355 CO -0.03 0.32 0.79 1.17 -0.54 0.00 0.00 175.26 176.97 1upm n LYS 356 N 0.65 0.00 -3.11 4.30 4.81 -1.25 -4.77 118.16 118.79 1upm n LYS 356 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1upm n LYS 356 Cb 0.50 -1.13 -0.01 0.00 0.02 0.00 0.00 35.03 34.41 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 -0.08 -1.36 0.53 3.14 2.15 -0.12 -4.95 116.67 115.98 1upm s ASP 357 Ca 0.69 -1.07 0.22 0.00 0.43 0.00 0.00 52.55 52.82 1upm s ASP 357 Cb -0.96 1.86 1.44 0.00 -0.30 0.00 0.00 42.92 44.96 1upm s ASP 357 CO 0.44 -0.15 2.14 0.03 -0.17 0.00 0.00 175.17 177.47 1upm h ARG 358 N 6.51 0.00 0.00 4.34 2.47 -1.91 -0.15 114.38 125.64 1upm h ARG 358 Ca 0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1upm h ARG 358 Cb 1.15 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1upm h ARG 358 CO 0.09 0.06 -0.04 0.66 0.56 0.00 0.00 179.97 181.30 1upm h SER 359 N 0.00 0.00 -0.38 7.04 4.64 -1.96 -1.37 113.55 121.53 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 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1upm h SER 359 CO 0.01 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.54 1upm n ARG 360 N -3.23 3.18 -1.05 4.77 1.74 -0.16 -4.77 116.66 117.13 1upm n ARG 360 Ca -0.01 -2.63 -0.02 0.00 -0.77 0.00 0.00 57.85 54.42 1upm n ARG 360 Cb 0.22 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 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 0.17 0.53 3.45 -0.13 0.00 -0.51 -4.39 105.19 104.31 1upm n GLY 361 Ca 0.19 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.96 4.62 -0.34 -0.61 1.01 -0.64 -4.91 121.20 118.37 1upm s ILE 362 Ca 0.00 -0.35 0.23 0.00 0.00 0.00 0.00 60.65 60.53 1upm s ILE 362 Cb 0.00 -4.47 0.30 0.00 0.01 0.00 0.00 42.46 38.30 1upm s ILE 362 CO 0.00 -1.08 1.63 1.88 0.00 0.00 0.00 174.94 177.37 1upm h TYR 363 N 9.23 0.00 -3.61 3.97 -1.99 -1.92 -0.28 116.97 122.36 1upm h TYR 363 Ca -0.28 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.25 1upm h TYR 363 Cb 1.08 0.00 -0.26 0.00 2.00 0.00 0.00 36.73 39.55 1upm h TYR 363 CO 0.85 0.07 -0.63 -0.06 -0.00 0.00 0.00 178.16 178.39 1upm s PHE 364 N -3.23 -0.02 0.19 4.88 0.08 -1.26 -4.89 117.98 113.72 1upm s PHE 364 Ca 0.06 0.07 -0.31 0.00 0.12 0.00 0.00 56.93 56.87 1upm s PHE 364 Cb 0.06 -0.01 -0.09 0.00 -0.57 0.00 0.00 43.02 42.41 1upm s PHE 364 CO 0.67 -0.08 1.41 0.99 -0.10 0.00 0.00 175.22 178.11 1upm s THR 365 N -0.26 2.97 -0.07 0.64 2.01 -1.26 -3.95 115.64 115.72 1upm s THR 365 Ca -0.03 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1upm s THR 365 Cb -0.02 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.02 1upm s THR 365 CO 0.00 0.09 -0.10 -1.58 -0.69 0.00 0.00 174.62 172.35 1upm s GLN 366 N 0.30 1.49 0.11 4.92 2.00 -0.36 -4.87 119.66 123.25 1upm s GLN 366 Ca 0.61 -0.32 0.07 0.00 -2.00 0.00 0.00 55.36 53.72 1upm s GLN 366 Cb -0.39 -1.31 -0.04 0.00 0.80 0.00 0.00 33.01 32.07 1upm s GLN 366 CO 0.37 -0.04 -0.10 -1.12 -0.50 0.00 0.00 175.29 173.90 1upm s SER 367 N 0.87 4.37 0.00 6.67 0.01 -1.26 -1.45 113.70 122.90 1upm s SER 367 Ca -0.11 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.77 1upm s SER 367 Cb -0.15 -0.81 0.04 0.00 0.21 0.00 0.00 66.02 65.30 1upm s SER 367 CO 0.01 0.17 0.67 0.79 0.41 0.00 0.00 173.24 175.29 1upm n TRP 368 N 0.63 0.02 -4.11 2.43 7.02 -0.04 -4.73 117.44 118.66 1upm n TRP 368 Ca -0.13 -0.06 -0.31 0.00 -1.02 0.00 0.00 57.50 55.98 1upm n TRP 368 Cb 0.53 -0.01 -0.07 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 0.16 -1.19 -0.92 -0.99 0.24 -1.26 -0.94 118.33 113.42 1upm n VAL 369 Ca 0.02 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1upm n VAL 369 Cb 0.12 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 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 -2.38 -2.60 -4.54 -1.34 7.64 -1.26 -4.99 113.62 104.15 1upm n SER 370 Ca -0.25 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.05 1upm n SER 370 Cb 0.60 -1.48 -0.08 0.00 -1.01 0.00 0.00 64.21 62.24 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 -2.35 0.00 -1.60 0.44 -1.04 -0.12 -4.88 114.28 104.73 1upm n THR 371 Ca 0.00 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1upm n THR 371 Cb 0.13 -0.25 0.03 0.00 -1.82 0.00 0.00 70.33 68.42 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 1.92 1.11 -2.95 -2.82 -0.02 -1.26 -4.92 135.00 126.05 1upm n PRO 372 Ca 0.20 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 1upm n PRO 372 Cb 0.11 -2.08 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 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 -0.99 2.41 -0.18 -1.23 0.00 -1.26 -4.66 107.32 101.41 1upm s GLY 373 Ca 0.69 0.26 -0.12 0.00 0.00 0.00 0.00 44.72 45.55 1upm s GLY 373 CO 0.52 0.53 0.22 0.14 0.00 0.00 0.00 173.10 174.51 1upm s VAL 374 N -2.03 5.35 -0.11 1.40 1.01 -0.20 -1.75 120.40 124.07 1upm s VAL 374 Ca 0.57 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1upm s VAL 374 Cb -0.11 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1upm s VAL 374 CO 0.16 0.41 1.29 -0.22 0.00 0.00 0.00 175.10 176.73 1upm s LEU 375 N 0.47 4.23 0.19 3.92 2.96 -0.80 -4.21 118.68 125.43 1upm s LEU 375 Ca 0.12 1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 55.54 1upm s LEU 375 Cb -0.12 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 1upm s LEU 375 CO 0.01 -0.72 1.15 -2.16 -1.32 0.00 0.00 176.35 173.31 1upm s PRO 376 N 3.09 4.54 -0.17 0.98 0.04 -1.26 -1.68 135.00 140.54 1upm s PRO 376 Ca 0.57 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1upm s PRO 376 Cb -0.24 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1upm s PRO 376 CO 0.19 0.00 -0.13 0.14 0.04 0.00 0.00 177.00 177.24 1upm s VAL 377 N -0.19 2.83 -0.23 -0.36 -7.23 0.15 -1.14 120.40 114.23 1upm s VAL 377 Ca 0.51 -0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 59.82 1upm s VAL 377 Cb -0.31 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1upm s VAL 377 CO 0.36 0.50 0.38 0.00 -0.31 0.00 0.00 175.10 176.03 1upm s ALA 378 N 0.99 3.57 -0.15 1.32 0.00 0.82 -1.64 121.76 126.65 1upm s ALA 378 Ca -0.02 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 51.08 1upm s ALA 378 Cb -0.15 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.37 1upm s ALA 378 CO -0.02 -0.44 0.57 0.45 0.00 0.00 0.00 175.76 176.32 1upm s SER 379 N 1.27 -0.56 0.00 0.00 0.15 -1.26 -0.96 113.70 112.33 1upm s SER 379 Ca 0.17 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1upm s SER 379 Cb -0.15 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1upm s SER 379 CO 0.08 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1upm n GLY 380 N 2.15 2.06 1.50 9.45 0.00 -1.26 -4.62 105.19 114.47 1upm n GLY 380 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.66 3.65 -0.02 0.00 -1.26 -1.14 105.19 107.07 1upm n GLY 381 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 3.52 0.28 -0.61 -4.36 -1.26 -4.37 121.20 112.40 1upm s ILE 382 Ca 0.00 -1.72 -0.03 0.00 -0.26 0.00 0.00 60.65 58.64 1upm s ILE 382 Cb 0.00 -2.83 0.01 0.00 1.25 0.00 0.00 42.46 40.89 1upm s ILE 382 CO 0.00 -0.26 0.41 0.00 0.24 0.00 0.00 174.94 175.33 1upm n HIS 383 N -0.56 -1.33 -0.32 1.37 1.44 -1.26 -4.34 115.22 110.22 1upm n HIS 383 Ca -0.08 -1.76 0.12 0.00 -2.01 0.00 0.00 57.72 53.99 1upm n HIS 383 Cb 0.57 0.47 0.30 0.00 0.12 0.00 0.00 29.99 31.45 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 1.78 0.60 0.00 0.61 -1.51 -1.91 -0.45 116.25 115.37 1upm h VAL 384 Ca -0.22 -0.19 -0.04 0.00 -1.23 0.00 0.00 66.70 65.02 1upm h VAL 384 Cb 0.92 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1upm h VAL 384 CO 0.29 0.10 -0.18 -0.50 -1.23 0.00 0.00 177.57 176.05 1upm h TRP 385 N 0.57 0.00 0.00 5.19 4.06 -1.94 -1.69 115.95 122.13 1upm h TRP 385 Ca 0.55 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.50 1upm h TRP 385 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 1upm h TRP 385 CO -0.07 0.18 0.00 0.72 -3.56 0.00 0.00 178.44 175.71 1upm n HIS 386 N -3.58 0.11 0.06 0.49 8.25 -0.18 -4.43 115.22 115.94 1upm n HIS 386 Ca -0.01 0.04 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 1upm n HIS 386 Cb 0.32 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 30.82 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 -0.33 -0.40 -0.41 -1.53 -1.35 -1.61 114.93 109.29 1upm h MET 387 Ca 0.00 0.02 0.08 0.00 -3.44 0.00 0.00 59.70 56.37 1upm h MET 387 Cb 0.35 0.08 -0.09 0.00 -0.55 0.00 0.00 31.60 31.39 1upm h MET 387 CO 0.00 -0.22 -0.18 -1.35 0.14 0.00 0.00 176.91 175.29 1upm h PRO 388 N -0.35 -0.10 -0.51 0.39 0.11 -1.81 0.50 132.00 130.23 1upm h PRO 388 Ca 0.06 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1upm h PRO 388 Cb 0.43 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1upm h PRO 388 CO -0.20 -0.07 0.30 0.00 -0.21 0.00 0.00 178.00 177.81 1upm h ALA 389 N 1.18 0.65 -0.20 -0.75 0.00 -1.78 -1.28 119.26 117.08 1upm h ALA 389 Ca 0.20 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1upm h ALA 389 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1upm h ALA 389 CO -0.47 0.14 0.06 -0.07 0.00 0.00 0.00 179.25 178.92 1upm h LEU 390 N 0.68 0.06 -0.82 0.00 3.38 -0.44 0.31 115.31 118.49 1upm h LEU 390 Ca 0.18 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1upm h LEU 390 Cb 0.01 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1upm h LEU 390 CO -0.03 0.07 0.44 0.74 0.09 0.00 0.00 178.44 179.74 1upm h THR 391 N 0.15 1.25 -0.57 0.22 2.02 -0.72 -1.74 112.91 113.52 1upm h THR 391 Ca 0.09 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1upm h THR 391 Cb 0.06 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1upm h THR 391 CO -0.09 0.28 0.20 -0.08 0.37 0.00 0.00 175.52 176.19 1upm h GLU 392 N 1.14 0.87 -0.07 6.66 4.22 -1.12 -0.60 114.58 125.68 1upm h GLU 392 Ca 0.29 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.52 1upm h GLU 392 Cb 0.05 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1upm h GLU 392 CO -0.04 0.77 -0.09 0.82 -2.18 0.00 0.00 179.01 178.29 1upm h ILE 393 N 0.79 1.38 0.00 2.32 2.04 -0.69 -3.37 117.51 119.98 1upm h ILE 393 Ca 0.19 -1.28 -0.22 0.00 1.00 0.00 0.00 64.86 64.54 1upm h ILE 393 Cb 0.25 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 1upm h ILE 393 CO -0.01 0.36 -2.10 0.49 0.00 0.00 0.00 178.15 176.89 1upm n PHE 394 N -4.68 0.18 -4.61 1.37 3.72 -0.68 -5.02 117.46 107.75 1upm n PHE 394 Ca -0.07 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1upm n PHE 394 Cb 0.32 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 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 1.54 -1.02 0.37 1.37 0.00 -0.23 -4.27 105.19 102.94 1upm n GLY 395 Ca -0.20 -1.12 -0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 1.02 -1.43 1.61 3.32 -1.89 -3.34 116.42 115.71 1upm h ASP 396 Ca 0.00 -0.02 -0.74 0.00 0.02 0.00 0.00 57.03 56.29 1upm h ASP 396 Cb 0.00 -0.25 -0.14 0.00 0.22 0.00 0.00 39.33 39.16 1upm h ASP 396 CO 0.00 0.73 1.95 0.47 -1.72 0.00 0.00 179.24 180.67 1upm n ASP 397 N -4.41 4.97 -3.60 6.45 8.00 -1.26 -2.63 116.55 124.07 1upm n ASP 397 Ca 0.11 -3.01 -0.11 0.00 0.71 0.00 0.00 54.79 52.49 1upm n ASP 397 Cb 0.05 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.55 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 2.17 -0.36 -0.19 -2.24 1.04 -1.25 -4.23 113.70 108.64 1upm s SER 398 Ca 0.43 -0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.55 1upm s SER 398 Cb 0.05 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1upm s SER 398 CO 0.00 -0.97 -0.03 -0.69 0.98 0.00 0.00 173.24 172.53 1upm s VAL 399 N -3.81 3.76 -0.25 5.02 1.01 -0.30 -0.88 120.40 124.96 1upm s VAL 399 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1upm s VAL 399 Cb -0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1upm s VAL 399 CO -0.09 0.45 0.11 -0.76 0.00 0.00 0.00 175.10 174.81 1upm s LEU 400 N 0.90 3.71 -0.14 3.92 1.43 0.37 -0.13 118.68 128.73 1upm s LEU 400 Ca 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1upm s LEU 400 Cb -0.14 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 1upm s LEU 400 CO 0.01 -0.01 -0.15 -1.10 0.23 0.00 0.00 176.35 175.34 1upm s GLN 401 N 1.46 3.24 -0.45 1.70 -0.21 -0.14 -1.24 119.66 124.03 1upm s GLN 401 Ca 0.06 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 54.73 1upm s GLN 401 Cb -0.15 -2.60 0.13 0.00 1.00 0.00 0.00 33.01 31.38 1upm s GLN 401 CO 0.06 0.08 0.21 -0.06 -2.12 0.00 0.00 175.29 173.45 1upm s PHE 402 N 0.67 2.68 0.00 0.91 0.08 -0.41 -4.23 117.98 117.68 1upm s PHE 402 Ca -0.08 -2.75 0.00 0.00 0.12 0.00 0.00 56.93 54.23 1upm s PHE 402 Cb -0.16 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1upm s PHE 402 CO 0.02 -0.80 0.01 0.41 -0.10 0.00 0.00 175.22 174.76 1upm n GLY 403 N 3.58 1.69 0.30 4.36 0.00 -1.26 -2.90 105.19 110.96 1upm n GLY 403 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 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 2.58 -1.01 0.00 -0.02 0.00 -1.26 -0.71 105.19 104.76 1upm n GLY 404 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 46.02 46.91 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 -1.37 -0.84 0.72 -0.02 0.00 -1.26 -0.58 105.19 101.85 1upm n GLY 405 Ca 0.25 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.33 0.46 1.56 2.61 -1.04 0.11 -4.64 114.28 112.02 1upm n THR 406 Ca 0.06 -0.12 0.15 0.00 -2.04 0.00 0.00 64.05 62.11 1upm n THR 406 Cb 0.13 -1.59 0.79 0.00 -1.82 0.00 0.00 70.33 67.84 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 -3.36 0.07 -1.02 -4.42 4.32 0.09 -2.67 117.00 110.01 1upm n LEU 407 Ca -0.17 0.18 0.11 0.00 -0.02 0.00 0.00 56.01 56.11 1upm n LEU 407 Cb 0.62 -0.20 0.18 0.00 -1.62 0.00 0.00 43.42 42.39 1upm n LEU 407 CO 0.01 0.01 0.66 0.61 -1.22 0.00 0.00 177.39 177.46 1upm n GLY 408 N 1.22 1.51 3.77 -0.72 0.00 0.26 -4.92 105.19 106.30 1upm n GLY 408 Ca 0.17 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.46 2.87 0.50 1.61 5.04 -1.09 -4.93 115.29 117.82 1upm s HIS 409 Ca 0.34 1.44 0.28 0.00 -1.54 0.00 0.00 55.06 55.58 1upm s HIS 409 Cb 0.20 -3.62 1.62 0.00 0.04 0.00 0.00 32.58 30.82 1upm s HIS 409 CO 0.28 -1.94 2.16 -1.00 -2.34 0.00 0.00 174.74 171.90 1upm h PRO 410 N 2.68 0.00 -0.59 2.88 0.13 -1.92 -2.40 132.00 132.79 1upm h PRO 410 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1upm h PRO 410 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1upm h PRO 410 CO 0.63 0.07 0.00 0.91 -0.23 0.00 0.00 178.00 179.37 1upm n TRP 411 N -3.74 0.78 0.00 1.56 8.01 -1.26 -5.09 117.44 117.69 1upm n TRP 411 Ca -0.02 -0.42 0.00 0.00 -1.31 0.00 0.00 57.50 55.75 1upm n TRP 411 Cb 0.17 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.46 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 1.49 0.37 0.19 6.99 0.00 -0.91 -4.66 105.19 108.67 1upm n GLY 412 Ca 0.22 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 0.57 0.28 1.61 4.21 -1.87 -1.10 115.58 119.28 1upm h ASN 413 Ca 0.00 -0.24 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 1upm h ASN 413 Cb 0.00 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 1upm h ASN 413 CO 0.00 0.67 -0.13 0.00 -1.29 0.00 0.00 177.43 176.68 1upm h ALA 414 N 0.93 -0.37 -0.11 -0.83 0.00 -1.84 -0.42 119.26 116.61 1upm h ALA 414 Ca 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1upm h ALA 414 Cb 0.33 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1upm h ALA 414 CO 0.00 -0.68 -0.19 -1.35 0.00 0.00 0.00 179.25 177.03 1upm h PRO 415 N -0.43 0.18 -0.73 0.00 0.11 -1.82 -0.84 132.00 128.47 1upm h PRO 415 Ca -0.04 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1upm h PRO 415 Cb 0.33 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.38 1upm h PRO 415 CO 0.06 0.37 0.45 0.78 -0.21 0.00 0.00 178.00 179.46 1upm h GLY 416 N 0.80 1.05 0.90 -0.55 0.00 -0.74 -1.97 103.07 102.56 1upm h GLY 416 Ca 0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1upm h GLY 416 CO 0.03 0.41 -0.31 0.00 0.00 0.00 0.00 176.54 176.67 1upm h ALA 417 N 1.24 0.32 -0.30 3.60 0.00 -0.13 -2.65 119.26 121.34 1upm h ALA 417 Ca 0.26 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1upm h ALA 417 Cb -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1upm h ALA 417 CO -0.05 0.35 0.01 0.28 0.00 0.00 0.00 179.25 179.84 1upm h VAL 418 N 0.26 0.79 -0.24 0.00 2.07 -0.82 -0.61 116.25 117.70 1upm h VAL 418 Ca 0.02 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1upm h VAL 418 Cb 0.89 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1upm h VAL 418 CO 0.07 0.02 -0.11 0.00 0.02 0.00 0.00 177.57 177.57 1upm h ALA 419 N 1.26 0.09 -0.66 1.67 0.00 -1.27 0.15 119.26 120.48 1upm h ALA 419 Ca 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1upm h ALA 419 Cb 0.19 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1upm h ALA 419 CO -0.24 -0.52 0.27 -0.91 0.00 0.00 0.00 179.25 177.85 1upm h ASN 420 N -0.08 0.91 -0.23 0.00 -0.26 -1.08 -1.36 115.58 113.49 1upm h ASN 420 Ca 0.13 -0.17 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 1upm h ASN 420 Cb 0.27 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1upm h ASN 420 CO -0.29 0.83 0.00 -0.09 -1.06 0.00 0.00 177.43 176.82 1upm h ARG 421 N 0.94 0.41 -0.84 0.81 9.65 -0.69 -1.94 114.38 122.72 1upm h ARG 421 Ca 0.22 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1upm h ARG 421 Cb 0.20 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 1upm h ARG 421 CO -0.02 0.59 0.47 0.28 2.80 0.00 0.00 179.97 184.09 1upm h VAL 422 N 0.18 1.24 -0.41 0.20 2.07 -0.70 -1.54 116.25 117.29 1upm h VAL 422 Ca 0.07 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1upm h VAL 422 Cb 0.40 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1upm h VAL 422 CO 0.01 0.27 0.07 0.00 0.02 0.00 0.00 177.57 177.94 1upm h ALA 423 N 1.25 0.54 -0.11 1.67 0.00 -1.14 -0.94 119.26 120.53 1upm h ALA 423 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1upm h ALA 423 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1upm h ALA 423 CO -0.05 0.25 0.02 1.25 0.00 0.00 0.00 179.25 180.73 1upm h LEU 424 N 0.53 0.17 -1.22 0.00 5.85 -1.15 -2.11 115.31 117.38 1upm h LEU 424 Ca 0.12 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1upm h LEU 424 Cb 0.37 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1upm h LEU 424 CO 0.01 0.37 0.51 -0.33 -0.34 0.00 0.00 178.44 178.66 1upm h GLU 425 N -0.04 1.03 -0.48 1.25 5.08 -1.26 -0.14 114.58 120.01 1upm h GLU 425 Ca 0.03 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1upm h GLU 425 Cb 0.27 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1upm h GLU 425 CO 0.00 0.69 0.25 0.00 -1.00 0.00 0.00 179.01 178.96 1upm h ALA 426 N 1.50 0.61 -0.42 3.43 0.00 -1.07 -0.21 119.26 123.09 1upm h ALA 426 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1upm h ALA 426 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1upm h ALA 426 CO -0.06 -0.08 0.18 0.00 0.00 0.00 0.00 179.25 179.28 1upm h VAL 428 N 0.54 1.25 -0.19 0.00 -1.51 -0.78 -0.72 116.25 114.83 1upm h VAL 428 Ca 0.14 -0.94 0.02 0.00 -1.23 0.00 0.00 66.70 64.70 1upm h VAL 428 Cb 0.17 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 1upm h VAL 428 CO -0.01 0.33 0.05 -0.61 -1.23 0.00 0.00 177.57 176.09 1upm h GLN 429 N 0.60 0.13 -0.08 5.19 4.15 -1.01 -1.16 115.11 122.93 1upm h GLN 429 Ca 0.13 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1upm h GLN 429 Cb 0.41 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 1upm h GLN 429 CO 0.01 0.09 0.05 0.00 -1.93 0.00 0.00 178.83 177.05 1upm h ALA 430 N 1.13 0.10 -0.34 3.38 0.00 -1.17 -0.33 119.26 122.03 1upm h ALA 430 Ca 0.08 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1upm h ALA 430 Cb 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1upm h ALA 430 CO -0.10 -0.39 -0.12 -0.09 0.00 0.00 0.00 179.25 178.55 1upm h ARG 431 N 0.07 -0.05 -0.37 0.00 2.43 -1.03 -0.90 114.38 114.53 1upm h ARG 431 Ca 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1upm h ARG 431 Cb 0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1upm h ARG 431 CO -0.01 -0.04 0.16 -0.91 -1.51 0.00 0.00 179.97 177.67 1upm h ASN 432 N -0.06 0.46 0.05 -3.80 -0.26 -0.74 -1.39 115.58 109.83 1upm h ASN 432 Ca 0.17 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1upm h ASN 432 Cb 0.31 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1upm h ASN 432 CO -0.38 0.41 0.00 -0.62 -1.06 0.00 0.00 177.43 175.78 1upm n GLU 433 N -4.40 0.95 0.00 0.81 1.02 -0.17 -4.90 120.64 113.94 1upm n GLU 433 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1upm n GLU 433 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 1.02 0.53 3.78 0.62 0.00 -0.52 -5.07 105.19 105.56 1upm n GLY 434 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.80 3.26 -0.30 1.61 0.52 -0.39 -4.98 118.95 117.88 1upm s ARG 435 Ca 0.00 1.45 -0.18 0.00 -0.52 0.00 0.00 55.73 56.48 1upm s ARG 435 Cb 0.00 -2.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 1upm s ARG 435 CO 0.00 -0.89 0.53 0.34 0.02 0.00 0.00 175.30 175.30 1upm s ASP 436 N -2.18 6.39 0.15 0.23 -1.08 -1.26 -4.33 116.67 114.58 1upm s ASP 436 Ca 0.69 0.31 -0.06 0.00 -0.52 0.00 0.00 52.55 52.97 1upm s ASP 436 Cb -0.21 -2.28 -0.03 0.00 -1.46 0.00 0.00 42.92 38.94 1upm s ASP 436 CO 0.31 -0.38 1.38 -0.07 0.52 0.00 0.00 175.17 176.93 1upm h LEU 437 N 8.94 0.66 -0.80 -1.34 3.38 -1.93 0.11 115.31 124.34 1upm h LEU 437 Ca -0.28 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.26 1upm h LEU 437 Cb 1.13 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1upm h LEU 437 CO 0.74 1.21 0.53 0.00 0.09 0.00 0.00 178.44 181.00 1upm h ALA 438 N 0.78 1.02 0.01 1.53 0.00 -1.93 -1.92 119.26 118.76 1upm h ALA 438 Ca -0.04 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1upm h ALA 438 Cb 1.36 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1upm h ALA 438 CO 0.14 0.40 -1.93 0.54 0.00 0.00 0.00 179.25 178.40 1upm n ARG 439 N -4.54 0.66 -0.20 0.00 1.74 -1.08 -4.38 116.66 108.86 1upm n ARG 439 Ca 0.08 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.44 1upm n ARG 439 Cb 0.03 -1.71 0.17 0.00 -1.02 0.00 0.00 32.46 29.94 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 -3.01 2.76 -0.08 5.56 1.02 0.36 -4.73 120.64 122.51 1upm n GLU 440 Ca -0.23 -2.11 -0.08 0.00 -0.02 0.00 0.00 57.16 54.73 1upm n GLU 440 Cb 1.08 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 31.17 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 2.38 -0.15 1.50 0.62 0.00 -1.51 -0.34 103.07 105.56 1upm h GLY 441 Ca 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 1upm h GLY 441 CO 0.00 -0.21 -0.04 3.43 0.00 0.00 0.00 176.54 179.73 1upm h ASN 442 N -0.24 0.58 0.11 0.19 -0.26 -1.86 -1.54 115.58 112.57 1upm h ASN 442 Ca 0.16 -0.13 -0.14 0.00 -0.56 0.00 0.00 56.30 55.63 1upm h ASN 442 Cb 0.49 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1upm h ASN 442 CO -0.45 0.68 -0.49 0.74 -1.06 0.00 0.00 177.43 176.85 1upm h THR 443 N 0.57 1.33 -0.08 2.81 2.02 -1.75 0.34 112.91 118.15 1upm h THR 443 Ca 0.11 -1.71 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1upm h THR 443 Cb 0.43 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1upm h THR 443 CO 0.02 0.52 -0.01 0.40 0.37 0.00 0.00 175.52 176.83 1upm h ILE 444 N 0.34 1.26 -0.17 3.11 2.04 -0.16 -0.97 117.51 122.97 1upm h ILE 444 Ca 0.02 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1upm h ILE 444 Cb 0.99 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 1upm h ILE 444 CO 0.09 0.23 0.07 0.40 0.00 0.00 0.00 178.15 178.94 1upm h ILE 445 N -0.15 0.98 -0.59 -0.67 1.08 -1.19 -2.62 117.51 114.36 1upm h ILE 445 Ca 0.02 -0.06 0.06 0.00 -0.39 0.00 0.00 64.86 64.49 1upm h ILE 445 Cb 0.37 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 1upm h ILE 445 CO 0.01 0.03 0.30 -0.09 -0.69 0.00 0.00 178.15 177.70 1upm h ARG 446 N 0.17 0.54 -0.90 2.37 9.65 -0.91 -1.48 114.38 123.82 1upm h ARG 446 Ca 0.07 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.98 1upm h ARG 446 Cb 0.03 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.43 1upm h ARG 446 CO -0.06 0.36 0.57 0.93 2.80 0.00 0.00 179.97 184.56 1upm h GLU 447 N 0.55 1.01 0.00 0.20 5.08 -0.98 -2.64 114.58 117.81 1upm h GLU 447 Ca 0.27 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1upm h GLU 447 Cb 0.20 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1upm h GLU 447 CO -0.19 0.67 -0.41 0.00 -1.00 0.00 0.00 179.01 178.07 1upm h ALA 448 N 1.41 1.12 0.00 3.43 0.00 -0.92 -2.81 119.26 121.49 1upm h ALA 448 Ca 0.38 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 448 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1upm h ALA 448 CO -0.16 0.51 0.00 1.79 0.00 0.00 0.00 179.25 181.39 1upm h THR 449 N 0.00 0.00 0.00 0.00 1.35 -1.02 -1.79 112.91 111.45 1upm h THR 449 Ca -0.00 -0.25 -0.04 0.00 -0.55 0.00 0.00 66.41 65.57 1upm h THR 449 Cb 0.83 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1upm h THR 449 CO 0.05 0.00 -0.17 0.11 -0.25 0.00 0.00 175.52 175.26 1upm h LYS 450 N 0.00 0.00 0.00 4.72 1.79 -1.54 -3.30 116.57 118.24 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 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1upm h LYS 450 CO 0.00 0.17 0.00 -2.67 -1.08 0.00 0.00 179.45 175.87 1upm n TRP 451 N -3.25 0.00 -3.99 -1.35 4.27 -0.95 -4.91 117.44 107.26 1upm n TRP 451 Ca 0.01 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.32 1upm n TRP 451 Cb 0.46 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.27 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 -0.64 4.58 0.35 -0.67 0.15 -0.71 -4.97 113.70 111.79 1upm s SER 452 Ca 0.00 -2.52 0.10 0.00 0.70 0.00 0.00 55.95 54.23 1upm s SER 452 Cb 0.00 -1.64 0.85 0.00 -1.71 0.00 0.00 66.02 63.52 1upm s SER 452 CO 0.00 -0.32 1.83 -0.65 1.20 0.00 0.00 173.24 175.31 1upm h PRO 453 N 7.14 0.64 -0.44 5.44 0.11 -1.88 -1.17 132.00 141.84 1upm h PRO 453 Ca -0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1upm h PRO 453 Cb 0.97 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1upm h PRO 453 CO 0.59 0.42 0.21 0.93 -0.21 0.00 0.00 178.00 179.95 1upm h GLU 454 N 0.66 0.63 -0.40 1.05 3.07 -1.93 -2.24 114.58 115.42 1upm h GLU 454 Ca 0.50 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.36 59.17 1upm h GLU 454 Cb 0.88 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 1upm h GLU 454 CO -0.25 0.53 -0.14 1.25 -1.40 0.00 0.00 179.01 179.00 1upm h LEU 455 N 0.56 0.81 -0.73 1.33 5.85 -1.57 -2.70 115.31 118.87 1upm h LEU 455 Ca 0.15 -0.39 0.15 0.00 0.84 0.00 0.00 57.88 58.64 1upm h LEU 455 Cb 0.11 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 40.82 1upm h LEU 455 CO -0.02 1.01 0.21 0.00 -0.34 0.00 0.00 178.44 179.31 1upm h ALA 456 N 0.82 0.97 -0.39 1.25 0.00 -1.20 0.90 119.26 121.61 1upm h ALA 456 Ca 0.09 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 456 Cb 0.68 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1upm h ALA 456 CO 0.05 -0.30 -0.32 0.00 0.00 0.00 0.00 179.25 178.68 1upm h ALA 457 N 1.58 0.69 -0.56 0.00 0.00 -1.24 -2.01 119.26 117.72 1upm h ALA 457 Ca 0.41 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1upm h ALA 457 Cb 0.67 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1upm h ALA 457 CO -0.47 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.44 1upm h ALA 458 N 0.90 0.93 -0.43 0.00 0.00 -1.12 -2.87 119.26 116.67 1upm h ALA 458 Ca 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1upm h ALA 458 Cb 0.88 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1upm h ALA 458 CO 0.08 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.11 1upm h GLU 460 N 0.54 0.64 -0.49 0.00 5.08 -1.34 -1.51 114.58 117.51 1upm h GLU 460 Ca 0.14 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1upm h GLU 460 Cb 0.24 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1upm h GLU 460 CO -0.01 0.42 0.08 0.28 -1.00 0.00 0.00 179.01 178.79 1upm h VAL 461 N 0.65 1.25 -0.35 3.13 2.07 -1.36 -3.30 116.25 118.34 1upm h VAL 461 Ca 0.27 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1upm h VAL 461 Cb 0.14 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1upm h VAL 461 CO -0.16 0.32 0.00 0.79 0.02 0.00 0.00 177.57 178.54 1upm n TRP 462 N -4.43 0.59 -0.06 1.57 8.01 -1.04 -4.73 117.44 117.35 1upm n TRP 462 Ca 0.01 -0.56 0.24 0.00 -1.31 0.00 0.00 57.50 55.87 1upm n TRP 462 Cb 0.25 -0.08 0.72 0.00 -2.01 0.00 0.00 31.31 30.19 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 2.12 0.00 -0.17 -0.99 2.10 -1.36 -1.44 116.57 116.83 1upm h LYS 463 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1upm h LYS 463 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1upm h LYS 463 CO 0.04 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.88 1upm n GLU 464 N -4.15 2.17 -3.27 0.07 -0.58 -1.26 -4.97 120.64 108.64 1upm n GLU 464 Ca 0.13 -1.73 -0.39 0.00 -0.42 0.00 0.00 57.16 54.75 1upm n GLU 464 Cb 0.77 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 30.10 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 -1.79 5.12 0.01 -3.67 -1.09 -0.55 -5.03 121.20 114.21 1upm s ILE 465 Ca 0.34 0.91 -0.06 0.00 -2.23 0.00 0.00 60.65 59.61 1upm s ILE 465 Cb 0.21 -3.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1upm s ILE 465 CO 0.30 0.19 0.11 -0.54 -1.23 0.00 0.00 174.94 173.77 1upm s LYS 466 N 1.56 0.48 -0.33 2.79 1.02 -1.26 -5.04 119.74 118.96 1upm s LYS 466 Ca 0.23 -0.50 0.03 0.00 0.02 0.00 0.00 55.97 55.75 1upm s LYS 466 Cb -0.15 0.20 0.10 0.00 -0.52 0.00 0.00 37.83 37.45 1upm s LYS 466 CO 0.09 -0.11 0.05 -0.06 -0.92 0.00 0.00 175.35 174.40 1upm s PHE 467 N -1.64 3.37 -0.23 3.18 0.40 -1.26 -5.08 117.98 116.72 1upm s PHE 467 Ca -0.13 -2.73 -0.02 0.00 -0.60 0.00 0.00 56.93 53.45 1upm s PHE 467 Cb -0.07 -2.64 0.07 0.00 0.51 0.00 0.00 43.02 40.89 1upm s PHE 467 CO 0.00 -0.93 0.02 -1.21 0.70 0.00 0.00 175.22 173.80 1upm s GLU 468 N 1.04 0.91 0.05 0.44 2.02 -1.26 -4.78 118.70 117.12 1upm s GLU 468 Ca 0.09 -0.69 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 1upm s GLU 468 Cb -0.19 -2.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 1upm s GLU 468 CO -0.11 -0.69 0.01 -0.06 0.02 0.00 0.00 175.26 174.43 1upm s PHE 469 N 1.69 0.42 0.23 1.61 0.40 -1.26 -5.14 117.98 115.94 1upm s PHE 469 Ca -0.00 -0.90 -0.30 0.00 -0.60 0.00 0.00 56.93 55.12 1upm s PHE 469 Cb -0.18 -0.30 -0.10 0.00 0.51 0.00 0.00 43.02 42.95 1upm s PHE 469 CO -0.11 -0.38 1.40 -2.14 0.70 0.00 0.00 175.22 174.69 1upm s PRO 470 N -3.58 4.30 0.34 0.24 0.01 -1.26 -4.99 135.00 130.07 1upm s PRO 470 Ca 0.04 2.23 -0.22 0.00 0.01 0.00 0.00 61.00 63.06 1upm s PRO 470 Cb 0.05 -3.14 -0.10 0.00 0.01 0.00 0.00 34.50 31.33 1upm s PRO 470 CO -0.09 -0.37 0.88 0.00 0.01 0.00 0.00 177.00 177.43 1upm s ALA 471 N 0.05 3.20 -0.16 -1.55 0.00 -1.26 -4.98 121.76 117.06 1upm s ALA 471 Ca 0.59 0.35 0.20 0.00 0.00 0.00 0.00 51.96 53.10 1upm s ALA 471 Cb -0.40 -3.05 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 1upm s ALA 471 CO 0.41 0.21 0.82 -1.33 0.00 0.00 0.00 175.76 175.88 1upm n MET 472 N 0.04 0.62 -3.82 0.00 2.81 -1.26 -4.77 117.12 110.74 1upm n MET 472 Ca 0.03 0.12 -0.34 0.00 -1.81 0.00 0.00 57.70 55.70 1upm n MET 472 Cb 0.52 -1.76 -0.12 0.00 -0.71 0.00 0.00 33.22 31.15 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 -5.44 4.95 0.23 7.83 2.15 -1.26 -4.36 116.67 120.78 1upm s ASP 473 Ca -0.03 -2.67 0.11 0.00 0.43 0.00 0.00 52.55 50.39 1upm s ASP 473 Cb 0.10 -1.77 -0.05 0.00 -0.30 0.00 0.00 42.92 40.90 1upm s ASP 473 CO 0.82 -0.37 -0.16 0.42 -0.17 0.00 0.00 175.17 175.71 1upm s THR 474 N 0.20 2.74 -1.34 1.71 -4.23 -1.26 -4.66 115.64 108.80 1upm s THR 474 Ca 0.15 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1upm s THR 474 Cb -0.22 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1upm s THR 474 CO -0.03 -0.26 0.34 0.52 -0.54 0.00 0.00 174.62 174.64