#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 -5.35 -4.83 0.00 3.41 -1.26 -5.05 113.62 100.54 1upm n SER 10 Ca 0.00 1.49 -0.29 0.00 -0.26 0.00 0.00 58.87 59.81 1upm n SER 10 Cb 0.00 -3.62 -0.05 0.00 -0.26 0.00 0.00 64.21 60.28 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 -0.34 4.79 0.54 -3.33 0.11 -1.26 -5.09 120.40 115.82 1upm s VAL 11 Ca -0.01 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 58.09 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 0.02 0.04 0.63 1.21 -3.33 0.00 0.00 175.10 173.67 1upm n GLU 12 N 0.08 0.64 -2.19 1.54 4.07 -1.26 -4.92 120.64 118.60 1upm n GLU 12 Ca -0.08 0.25 -0.42 0.00 -0.06 0.00 0.00 57.16 56.85 1upm n GLU 12 Cb 0.53 -1.77 -0.03 0.00 -0.06 0.00 0.00 31.44 30.10 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 -1.62 3.13 -0.28 4.31 5.36 -1.26 -5.01 117.98 122.61 1upm s PHE 13 Ca 0.69 0.92 0.03 0.00 -0.96 0.00 0.00 56.93 57.61 1upm s PHE 13 Cb -0.47 -3.67 0.07 0.00 -0.34 0.00 0.00 43.02 38.62 1upm s PHE 13 CO 0.54 -2.37 -0.04 0.21 -1.46 0.00 0.00 175.22 172.10 1upm s LYS 14 N 1.47 1.81 0.22 10.12 2.47 -1.26 -5.10 119.74 129.46 1upm s LYS 14 Ca 0.64 -1.43 -0.30 0.00 -1.56 0.00 0.00 55.97 53.32 1upm s LYS 14 Cb -0.35 -2.88 -0.10 0.00 -1.46 0.00 0.00 37.83 33.04 1upm s LYS 14 CO 0.29 -0.71 1.45 0.00 0.16 0.00 0.00 175.35 176.55 1upm s ALA 15 N 1.12 3.65 0.00 3.13 0.00 -1.26 -4.78 121.76 123.62 1upm s ALA 15 Ca -0.01 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1upm s ALA 15 Cb -0.19 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1upm s ALA 15 CO -0.07 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1upm n GLY 16 N 2.62 0.80 3.90 0.00 0.00 -1.26 -5.00 105.19 106.24 1upm n GLY 16 Ca 0.08 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.30 5.17 0.22 1.61 0.11 -1.26 -2.14 120.40 122.82 1upm s VAL 17 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 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 0.02 0.40 -1.59 -3.33 0.00 0.00 175.10 170.61 1upm s LYS 18 N -2.70 1.42 0.44 1.54 -2.85 -1.26 -5.01 119.74 111.33 1upm s LYS 18 Ca 0.41 -1.26 -0.24 0.00 -1.00 0.00 0.00 55.97 53.88 1upm s LYS 18 Cb -0.12 0.43 -0.08 0.00 -2.06 0.00 0.00 37.83 36.00 1upm s LYS 18 CO 0.25 -0.57 1.19 -0.51 0.10 0.00 0.00 175.35 175.81 1upm s ASP 19 N -3.02 6.23 0.40 0.03 1.01 -1.26 -4.93 116.67 115.13 1upm s ASP 19 Ca 0.23 2.38 0.07 0.00 0.71 0.00 0.00 52.55 55.93 1upm s ASP 19 Cb 0.01 -2.61 0.81 0.00 1.01 0.00 0.00 42.92 42.14 1upm s ASP 19 CO 0.07 -0.88 2.02 1.88 0.21 0.00 0.00 175.17 178.47 1upm h TYR 20 N 2.24 0.50 0.00 4.23 0.05 -1.93 -2.95 116.97 119.12 1upm h TYR 20 Ca -0.49 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.26 1upm h TYR 20 Cb 1.25 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1upm h TYR 20 CO 0.53 0.36 -0.12 1.57 -1.05 0.00 0.00 178.16 179.45 1upm h LYS 21 N 0.52 0.00 -0.68 4.88 2.10 -1.86 0.68 116.57 122.21 1upm h LYS 21 Ca 0.13 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.93 1upm h LYS 21 Cb 0.03 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 1upm h LYS 21 CO -0.02 0.12 0.46 -0.07 -2.00 0.00 0.00 179.45 177.94 1upm h LEU 22 N 0.00 0.30 0.00 7.07 3.38 -1.87 -3.14 115.31 121.06 1upm h LEU 22 Ca -0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1upm h LEU 22 Cb 0.59 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1upm h LEU 22 CO 0.02 0.16 -1.51 0.41 0.09 0.00 0.00 178.44 177.61 1upm n THR 23 N -4.45 0.51 0.30 0.22 -1.04 -0.63 -4.84 114.28 104.35 1upm n THR 23 Ca 0.13 -0.30 0.04 0.00 -2.04 0.00 0.00 64.05 61.89 1upm n THR 23 Cb 0.52 -0.81 0.05 0.00 -1.82 0.00 0.00 70.33 68.27 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 -2.34 0.05 -3.93 -1.42 4.01 0.14 -4.87 117.16 108.79 1upm n TYR 24 Ca -0.13 -0.07 -0.36 0.00 -0.16 0.00 0.00 57.90 57.19 1upm n TYR 24 Cb 0.73 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.64 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 -0.78 3.11 -0.43 -0.72 5.04 -1.19 -1.32 117.35 121.06 1upm s TYR 25 Ca 0.12 -0.31 0.08 0.00 -2.44 0.00 0.00 57.07 54.51 1upm s TYR 25 Cb 0.08 -2.15 0.27 0.00 0.35 0.00 0.00 41.96 40.50 1upm s TYR 25 CO 0.11 -0.20 0.74 2.41 -1.34 0.00 0.00 175.55 177.27 1upm n THR 26 N 4.38 -0.32 0.35 4.34 -1.04 0.71 -4.91 114.28 117.79 1upm n THR 26 Ca -0.16 -2.95 0.14 0.00 -2.04 0.00 0.00 64.05 59.03 1upm n THR 26 Cb 0.52 -0.19 0.58 0.00 -1.82 0.00 0.00 70.33 69.41 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 3.78 0.00 -0.01 -2.82 0.13 -1.76 -2.11 132.00 129.21 1upm h PRO 27 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1upm h PRO 27 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1upm h PRO 27 CO 0.39 0.00 -0.08 0.39 -0.23 0.00 0.00 178.00 178.46 1upm n GLU 28 N -2.49 1.36 -2.12 0.86 -0.58 -1.26 -4.83 120.64 111.57 1upm n GLU 28 Ca 0.01 -0.77 -0.42 0.00 -0.42 0.00 0.00 57.16 55.56 1upm n GLU 28 Cb 0.23 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.18 3.19 -0.09 -0.32 5.04 -0.79 -5.01 117.35 117.19 1upm s TYR 29 Ca 0.34 0.96 -0.18 0.00 -2.44 0.00 0.00 57.07 55.74 1upm s TYR 29 Cb 0.20 -3.72 -0.04 0.00 0.35 0.00 0.00 41.96 38.75 1upm s TYR 29 CO 0.40 -2.49 0.47 -1.21 -1.34 0.00 0.00 175.55 171.38 1upm s GLU 30 N 0.71 4.29 0.38 4.97 2.02 -1.26 -4.99 118.70 124.81 1upm s GLU 30 Ca 0.63 0.46 -0.26 0.00 0.02 0.00 0.00 54.97 55.82 1upm s GLU 30 Cb -0.38 -3.40 -0.09 0.00 0.10 0.00 0.00 34.13 30.36 1upm s GLU 30 CO 0.33 0.24 1.16 0.95 0.02 0.00 0.00 175.26 177.96 1upm s THR 31 N 0.34 3.22 0.41 3.63 -4.23 -1.26 -5.02 115.64 112.74 1upm s THR 31 Ca 0.26 1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 61.66 1upm s THR 31 Cb -0.16 -3.61 -0.09 0.00 1.34 0.00 0.00 72.50 69.98 1upm s THR 31 CO 0.11 0.13 0.87 -0.76 -0.54 0.00 0.00 174.62 174.43 1upm s LEU 32 N -2.29 3.89 0.00 4.79 1.43 -1.26 -4.99 118.68 120.26 1upm s LEU 32 Ca 0.55 1.47 0.15 0.00 -1.03 0.00 0.00 54.13 55.27 1upm s LEU 32 Cb -0.31 -4.33 0.69 0.00 0.03 0.00 0.00 46.19 42.27 1upm s LEU 32 CO 0.39 -0.37 1.47 0.47 0.23 0.00 0.00 176.35 178.54 1upm n ASP 33 N -0.85 0.00 -0.54 2.29 8.00 -1.26 -2.09 116.55 122.10 1upm n ASP 33 Ca 0.05 0.35 0.13 0.00 0.71 0.00 0.00 54.79 56.04 1upm n ASP 33 Cb 0.54 -0.43 0.31 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.43 0.00 -2.59 -3.53 -2.24 -1.26 -4.56 114.28 98.67 1upm n THR 34 Ca 0.05 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.17 1upm n THR 34 Cb 0.16 0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.19 7.12 -0.02 3.42 1.01 -0.89 -3.54 116.67 121.59 1upm s ASP 35 Ca 0.30 2.06 -0.28 0.00 0.71 0.00 0.00 52.55 55.34 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 0.40 -0.23 0.89 -0.63 0.21 0.00 0.00 175.17 175.82 1upm s ILE 36 N -1.44 4.92 -0.13 0.77 1.09 0.76 -4.22 121.20 122.96 1upm s ILE 36 Ca 0.50 1.87 -0.03 0.00 -1.10 0.00 0.00 60.65 61.89 1upm s ILE 36 Cb -0.25 -4.23 -0.03 0.00 -1.06 0.00 0.00 42.46 36.89 1upm s ILE 36 CO 0.32 0.19 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.57 1upm s LEU 37 N 0.96 3.42 -0.12 2.97 1.43 -1.08 -0.10 118.68 126.18 1upm s LEU 37 Ca 0.47 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1upm s LEU 37 Cb -0.20 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1upm s LEU 37 CO 0.25 0.25 -0.16 0.00 0.23 0.00 0.00 176.35 176.92 1upm s ALA 38 N -0.12 2.49 -0.53 4.21 0.00 0.14 -0.23 121.76 127.73 1upm s ALA 38 Ca 0.04 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 1upm s ALA 38 Cb -0.13 -1.08 0.09 0.00 0.00 0.00 0.00 23.12 22.01 1upm s ALA 38 CO 0.02 0.28 0.55 0.00 0.00 0.00 0.00 175.76 176.62 1upm s ALA 39 N 0.27 3.51 -0.20 0.00 0.00 -1.03 -0.60 121.76 123.71 1upm s ALA 39 Ca -0.12 -2.19 -0.09 0.00 0.00 0.00 0.00 51.96 49.56 1upm s ALA 39 Cb -0.16 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1upm s ALA 39 CO 0.06 -2.03 0.10 -0.06 0.00 0.00 0.00 175.76 173.84 1upm s PHE 40 N 2.10 3.32 -0.79 0.00 0.08 0.04 -0.98 117.98 121.74 1upm s PHE 40 Ca 0.08 0.18 -0.25 0.00 0.12 0.00 0.00 56.93 57.06 1upm s PHE 40 Cb -0.25 -2.15 0.05 0.00 -0.57 0.00 0.00 43.02 40.10 1upm s PHE 40 CO 0.07 0.18 1.25 0.50 -0.10 0.00 0.00 175.22 177.11 1upm s ARG 41 N 0.51 3.27 -0.20 0.44 3.52 0.44 -0.12 118.95 126.81 1upm s ARG 41 Ca 0.06 -0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 54.98 1upm s ARG 41 Cb -0.12 -4.44 -0.05 0.00 -1.56 0.00 0.00 34.95 28.78 1upm s ARG 41 CO 0.00 -2.09 0.13 0.08 -0.81 0.00 0.00 175.30 172.62 1upm s VAL 42 N 5.17 5.41 -0.50 7.11 1.01 0.49 -1.76 120.40 137.33 1upm s VAL 42 Ca 0.35 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1upm s VAL 42 Cb -0.08 -3.47 0.13 0.00 0.00 0.00 0.00 36.38 32.96 1upm s VAL 42 CO 0.08 0.43 0.27 -0.44 0.00 0.00 0.00 175.10 175.45 1upm s SER 43 N 0.39 4.87 0.69 3.32 0.01 -0.81 -1.62 113.70 120.55 1upm s SER 43 Ca 0.08 -2.63 -0.14 0.00 1.31 0.00 0.00 55.95 54.56 1upm s SER 43 Cb -0.11 -1.74 0.02 0.00 0.21 0.00 0.00 66.02 64.39 1upm s SER 43 CO -0.02 -0.36 1.13 -2.84 0.41 0.00 0.00 173.24 171.56 1upm s PRO 44 N 0.25 2.58 0.60 12.44 0.02 -1.26 -0.19 135.00 149.45 1upm s PRO 44 Ca 0.14 1.43 -0.18 0.00 0.02 0.00 0.00 61.00 62.42 1upm s PRO 44 Cb -0.22 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 1upm s PRO 44 CO -0.03 -1.43 1.16 -0.65 -0.33 0.00 0.00 177.00 175.72 1upm s GLN 45 N -4.16 2.97 0.16 5.54 -1.52 -0.78 -4.48 119.66 117.40 1upm s GLN 45 Ca 0.68 1.66 -0.34 0.00 -1.95 0.00 0.00 55.36 55.41 1upm s GLN 45 Cb -0.22 -1.95 -0.15 0.00 -0.22 0.00 0.00 33.01 30.48 1upm s GLN 45 CO 0.44 -1.17 1.35 -2.30 -0.25 0.00 0.00 175.29 173.36 1upm n PRO 46 N -1.78 1.55 -0.28 2.91 -0.02 -1.26 -1.56 135.00 134.56 1upm n PRO 46 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1upm n PRO 46 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.46 0.85 3.37 -1.23 0.00 -1.26 -5.02 105.19 104.35 1upm n GLY 47 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.68 4.49 0.59 1.61 1.01 -0.60 -5.08 120.40 119.73 1upm s VAL 48 Ca 0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 1upm s VAL 48 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1upm s VAL 48 CO 0.00 -0.22 1.33 -2.16 0.00 0.00 0.00 175.10 174.05 1upm s PRO 49 N 1.54 2.91 0.38 2.72 0.04 -1.26 -4.76 135.00 136.57 1upm s PRO 49 Ca 0.02 2.15 0.09 0.00 0.04 0.00 0.00 61.00 63.30 1upm s PRO 49 Cb -0.19 -2.09 0.84 0.00 0.04 0.00 0.00 34.50 33.10 1upm s PRO 49 CO 0.06 -1.34 1.95 -1.00 0.04 0.00 0.00 177.00 176.71 1upm h PRO 50 N 1.09 0.62 -0.69 0.56 0.13 -1.98 -1.93 132.00 129.80 1upm h PRO 50 Ca -0.51 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1upm h PRO 50 Cb 1.31 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1upm h PRO 50 CO 0.56 0.41 0.40 0.93 -0.23 0.00 0.00 178.00 180.06 1upm h GLU 51 N 0.64 0.95 -0.01 0.86 3.07 -1.99 -0.73 114.58 117.37 1upm h GLU 51 Ca 0.32 -0.10 -0.19 0.00 -0.50 0.00 0.00 59.36 58.89 1upm h GLU 51 Cb 0.40 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1upm h GLU 51 CO -0.11 0.70 -0.83 1.49 -1.40 0.00 0.00 179.01 178.86 1upm h GLU 52 N 0.95 0.19 -0.04 2.33 4.57 -1.77 -1.59 114.58 119.21 1upm h GLU 52 Ca 0.25 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1upm h GLU 52 Cb 0.01 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1upm h GLU 52 CO -0.04 0.92 0.02 0.00 -1.18 0.00 0.00 179.01 178.72 1upm h ALA 53 N 1.02 0.06 -0.57 2.92 0.00 -1.11 -0.67 119.26 120.89 1upm h ALA 53 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1upm h ALA 53 Cb 1.44 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1upm h ALA 53 CO 0.13 -0.36 0.24 0.78 0.00 0.00 0.00 179.25 180.04 1upm h GLY 54 N -0.09 0.91 1.01 0.00 0.00 -1.15 -1.75 103.07 102.00 1upm h GLY 54 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1upm h GLY 54 CO -0.00 0.45 0.51 0.00 0.00 0.00 0.00 176.54 177.50 1upm h ALA 55 N 1.09 1.01 -0.04 3.60 0.00 -1.18 -1.43 119.26 122.32 1upm h ALA 55 Ca 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1upm h ALA 55 Cb 0.18 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1upm h ALA 55 CO -0.02 0.45 0.02 0.00 0.00 0.00 0.00 179.25 179.70 1upm h ALA 56 N 1.28 0.05 -0.15 0.00 0.00 -0.66 0.03 119.26 119.80 1upm h ALA 56 Ca 0.29 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1upm h ALA 56 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1upm h ALA 56 CO -0.06 -0.40 0.01 0.28 0.00 0.00 0.00 179.25 179.09 1upm h VAL 57 N -0.06 0.92 -0.74 0.00 2.07 -1.04 -2.24 116.25 115.15 1upm h VAL 57 Ca 0.01 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1upm h VAL 57 Cb 0.11 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1upm h VAL 57 CO -0.00 0.01 0.40 0.00 0.02 0.00 0.00 177.57 178.00 1upm h ALA 58 N 1.12 0.95 -0.21 1.67 0.00 -1.13 -2.48 119.26 119.17 1upm h ALA 58 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1upm h ALA 58 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1upm h ALA 58 CO -0.10 0.47 0.09 0.00 0.00 0.00 0.00 179.25 179.71 1upm h ALA 59 N 1.20 0.27 0.00 0.00 0.00 -0.81 -3.21 119.26 116.71 1upm h ALA 59 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1upm h ALA 59 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1upm h ALA 59 CO -0.04 -0.16 -0.55 -1.91 0.00 0.00 0.00 179.25 176.59 1upm n GLU 60 N -4.84 0.13 -0.52 0.00 4.07 -0.86 0.51 120.64 119.13 1upm n GLU 60 Ca -0.04 0.03 0.08 0.00 -0.06 0.00 0.00 57.16 57.17 1upm n GLU 60 Cb 0.11 -1.58 0.30 0.00 -0.06 0.00 0.00 31.44 30.21 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 4.02 0.00 4.31 3.41 -0.94 -4.78 113.62 117.89 1upm n SER 61 Ca 0.05 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1upm n SER 61 Cb 0.38 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.89 0.00 0.00 4.04 3.41 -0.99 -4.49 113.62 116.48 1upm n SER 62 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1upm n SER 62 Cb 0.76 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.38 0.00 -4.04 6.66 -2.24 -0.55 -4.92 114.28 107.81 1upm n THR 63 Ca 0.00 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 1upm n THR 63 Cb 0.00 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.69 1.90 0.00 3.38 0.00 0.18 -5.02 107.32 107.07 1upm s GLY 64 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1upm s GLY 64 CO 0.00 -1.06 0.00 -0.37 0.00 0.00 0.00 173.10 171.67 1upm n THR 65 N 0.07 0.00 0.52 0.90 5.66 -1.26 -4.25 114.28 115.92 1upm n THR 65 Ca -0.08 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.04 1upm n THR 65 Cb 0.53 0.00 0.26 0.00 -1.55 0.00 0.00 70.33 69.57 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 0.37 0.00 -3.58 1.09 5.08 -2.00 -3.46 115.95 113.46 1upm h TRP 66 Ca 0.00 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.63 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 -0.65 -0.08 -1.28 0.00 0.00 178.44 176.43 1upm s THR 67 N -3.16 0.80 0.13 0.12 -1.32 -1.26 -4.69 115.64 106.25 1upm s THR 67 Ca 0.08 -2.01 -0.30 0.00 -1.21 0.00 0.00 61.69 58.25 1upm s THR 67 Cb 0.12 -2.34 -0.06 0.00 -1.51 0.00 0.00 72.50 68.71 1upm s THR 67 CO 0.67 -0.30 0.99 -0.89 -2.21 0.00 0.00 174.62 172.87 1upm s THR 68 N -3.58 4.37 -0.11 5.08 2.01 -0.91 -5.00 115.64 117.51 1upm s THR 68 Ca 0.29 1.99 0.03 0.00 0.31 0.00 0.00 61.69 64.31 1upm s THR 68 Cb 0.06 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.30 1upm s THR 68 CO 0.08 0.32 -0.21 0.54 -0.69 0.00 0.00 174.62 174.66 1upm s VAL 69 N -0.08 2.30 0.48 3.82 0.11 -1.26 -4.50 120.40 121.27 1upm s VAL 69 Ca 0.47 -0.93 0.21 0.00 -2.93 0.00 0.00 61.98 58.80 1upm s VAL 69 Cb -0.24 -1.90 0.26 0.00 -1.53 0.00 0.00 36.38 32.96 1upm s VAL 69 CO 0.31 0.55 2.09 4.11 -3.33 0.00 0.00 175.10 178.83 1upm h TRP 70 N 6.71 0.00 0.00 1.54 5.08 -1.96 -3.03 115.95 124.29 1upm h TRP 70 Ca -0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.76 1upm h TRP 70 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1upm h TRP 70 CO 0.48 0.11 0.00 0.25 -1.28 0.00 0.00 178.44 177.99 1upm n THR 71 N -4.06 1.25 -0.08 0.12 -2.24 -1.26 -2.44 114.28 105.57 1upm n THR 71 Ca -0.02 0.45 0.10 0.00 -2.27 0.00 0.00 64.05 62.30 1upm n THR 71 Cb 0.19 -1.38 0.47 0.00 -2.10 0.00 0.00 70.33 67.51 1upm n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1upm h ASP 72 N 0.00 0.42 0.69 3.42 3.32 -1.92 -2.22 116.42 120.14 1upm h ASP 72 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1upm h ASP 72 Cb 0.14 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1upm h ASP 72 CO 0.00 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 178.40 1upm n GLY 73 N -1.50 -1.20 0.19 2.75 0.00 -1.02 -2.27 105.19 102.13 1upm n GLY 73 Ca 0.08 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.61 -3.47 115.31 114.60 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 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1upm h LEU 74 CO 0.00 0.27 0.00 0.41 0.09 0.00 0.00 178.44 179.21 1upm n THR 75 N -3.21 0.00 -3.81 0.22 -1.04 -0.96 -5.09 114.28 100.39 1upm n THR 75 Ca 0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.70 1upm n THR 75 Cb 0.60 -0.31 -0.11 0.00 -1.82 0.00 0.00 70.33 68.68 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 -0.15 4.90 0.29 8.00 3.84 -1.26 -4.97 114.94 125.59 1upm s ASN 76 Ca 0.00 -3.01 -0.00 0.00 0.21 0.00 0.00 52.86 50.06 1upm s ASN 76 Cb 0.00 -1.77 0.49 0.00 -0.55 0.00 0.00 41.25 39.42 1upm s ASN 76 CO 0.00 -0.29 1.90 0.25 -2.79 0.00 0.00 177.10 176.17 1upm h LEU 77 N 6.70 0.95 -1.77 3.21 5.85 -1.99 -1.61 115.31 126.64 1upm h LEU 77 Ca -0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1upm h LEU 77 Cb 0.91 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1upm h LEU 77 CO 0.71 0.61 -0.16 0.44 -0.34 0.00 0.00 178.44 179.70 1upm h ASP 78 N 1.08 0.00 1.68 1.25 3.32 -1.95 0.67 116.42 122.46 1upm h ASP 78 Ca 0.40 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 1upm h ASP 78 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1upm h ASP 78 CO -0.15 0.16 -0.32 0.08 -1.72 0.00 0.00 179.24 177.28 1upm h ARG 79 N 0.00 0.00 0.00 3.56 0.11 -1.73 -3.37 114.38 112.95 1upm h ARG 79 Ca -0.00 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.81 1upm h ARG 79 Cb 0.35 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.38 1upm h ARG 79 CO 0.02 0.06 -2.25 0.66 0.10 0.00 0.00 179.97 178.56 1upm n TYR 80 N -3.01 0.04 -1.70 4.08 4.01 -0.77 -4.85 117.16 114.97 1upm n TYR 80 Ca 0.02 0.01 -0.43 0.00 -0.16 0.00 0.00 57.90 57.35 1upm n TYR 80 Cb 0.57 -0.87 -0.01 0.00 -0.31 0.00 0.00 39.34 38.71 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 -2.63 2.15 -1.86 -0.72 2.85 0.16 -4.62 118.16 113.49 1upm n LYS 81 Ca -0.24 0.76 -0.33 0.00 -1.05 0.00 0.00 58.31 57.44 1upm n LYS 81 Cb 0.99 -2.37 0.03 0.00 -0.65 0.00 0.00 35.03 33.04 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 -0.14 2.14 -0.18 2.58 0.00 -1.26 -4.63 107.32 105.83 1upm s GLY 82 Ca 0.58 0.48 -0.10 0.00 0.00 0.00 0.00 44.72 45.69 1upm s GLY 82 CO 0.59 0.82 0.43 1.09 0.00 0.00 0.00 173.10 176.03 1upm s ARG 83 N -4.10 0.42 -0.30 2.90 1.70 -0.52 -4.62 118.95 114.42 1upm s ARG 83 Ca 0.66 0.82 -0.29 0.00 -0.47 0.00 0.00 55.73 56.45 1upm s ARG 83 Cb -0.19 -0.01 0.02 0.00 -0.57 0.00 0.00 34.95 34.20 1upm s ARG 83 CO 0.40 -0.16 1.07 0.00 -1.08 0.00 0.00 175.30 175.54 1upm n TYR 85 N 6.79 0.00 -3.68 0.00 4.11 -0.71 -0.20 117.16 123.46 1upm n TYR 85 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.89 1upm n TYR 85 Cb 0.47 -0.02 -0.09 0.00 -0.00 0.00 0.00 39.34 39.71 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 -0.66 -0.09 -3.48 5.04 -1.24 -4.33 115.29 108.96 1upm s HIS 86 Ca 0.01 1.56 0.01 0.00 -1.54 0.00 0.00 55.06 55.10 1upm s HIS 86 Cb 0.03 0.25 0.02 0.00 0.04 0.00 0.00 32.58 32.92 1upm s HIS 86 CO 0.19 -0.32 -0.11 0.42 -2.34 0.00 0.00 174.74 172.57 1upm s ILE 87 N 0.50 1.17 -0.10 0.89 1.01 -1.26 -1.21 121.20 122.19 1upm s ILE 87 Ca -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1upm s ILE 87 Cb -0.04 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.34 1upm s ILE 87 CO -0.02 0.37 -0.11 -0.70 0.00 0.00 0.00 174.94 174.48 1upm s GLU 88 N 1.05 1.78 0.37 2.79 2.12 -0.37 -5.01 118.70 121.44 1upm s GLU 88 Ca -0.07 -0.39 -0.26 0.00 0.36 0.00 0.00 54.97 54.61 1upm s GLU 88 Cb -0.15 -1.63 -0.09 0.00 0.26 0.00 0.00 34.13 32.53 1upm s GLU 88 CO -0.01 -0.13 1.10 -1.25 -0.54 0.00 0.00 175.26 174.43 1upm s PRO 89 N 1.20 4.24 -0.18 4.30 0.04 -1.26 -0.08 135.00 143.27 1upm s PRO 89 Ca -0.04 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 1upm s PRO 89 Cb -0.14 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 1upm s PRO 89 CO -0.03 -0.11 0.60 0.08 0.04 0.00 0.00 177.00 177.58 1upm s VAL 90 N -1.47 5.05 0.04 -0.36 1.01 0.09 -4.81 120.40 119.96 1upm s VAL 90 Ca 0.54 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 1upm s VAL 90 Cb -0.27 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1upm s VAL 90 CO 0.34 0.15 1.66 0.00 0.00 0.00 0.00 175.10 177.25 1upm s ALA 91 N 1.65 3.66 0.00 5.51 0.00 -1.26 -2.18 121.76 129.14 1upm s ALA 91 Ca 0.28 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1upm s ALA 91 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1upm s ALA 91 CO 0.11 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.10 1upm n GLY 92 N 4.04 0.78 3.00 0.00 0.00 -1.26 -5.04 105.19 106.71 1upm n GLY 92 Ca 0.16 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.64 1.48 -0.07 1.61 0.41 -0.92 -5.11 118.70 115.46 1upm s GLU 93 Ca 0.00 -0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 53.91 1upm s GLU 93 Cb 0.00 -1.26 -0.03 0.00 -1.78 0.00 0.00 34.13 31.06 1upm s GLU 93 CO 0.00 0.03 1.14 -1.83 -0.49 0.00 0.00 175.26 174.10 1upm s GLU 94 N 0.64 4.38 -1.42 1.61 1.03 -1.26 -4.34 118.70 119.33 1upm s GLU 94 Ca -0.13 1.58 -0.07 0.00 0.03 0.00 0.00 54.97 56.38 1upm s GLU 94 Cb -0.15 -3.54 0.04 0.00 -0.80 0.00 0.00 34.13 29.68 1upm s GLU 94 CO 0.03 -0.39 0.85 -1.71 -1.33 0.00 0.00 175.26 172.70 1upm n ASN 95 N 5.08 -3.11 -3.79 0.83 5.15 -1.26 -4.98 115.26 113.18 1upm n ASN 95 Ca 0.10 -0.79 -0.18 0.00 -0.60 0.00 0.00 54.58 53.11 1upm n ASN 95 Cb 0.47 -3.98 -0.17 0.00 -0.53 0.00 0.00 39.78 35.57 1upm n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1upm s GLN 96 N -6.32 0.26 0.03 1.20 0.74 -1.26 -4.03 119.66 110.29 1upm s GLN 96 Ca 0.35 0.13 0.05 0.00 0.05 0.00 0.00 55.36 55.93 1upm s GLN 96 Cb -0.17 -0.53 -0.02 0.00 1.10 0.00 0.00 33.01 33.39 1upm s GLN 96 CO 0.82 -0.18 -0.14 0.71 -0.55 0.00 0.00 175.29 175.95 1upm s TYR 97 N 1.28 1.21 -0.48 1.67 1.51 -0.64 -0.73 117.35 121.17 1upm s TYR 97 Ca -0.06 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.40 1upm s TYR 97 Cb -0.13 -0.73 0.03 0.00 -0.11 0.00 0.00 41.96 41.02 1upm s TYR 97 CO -0.02 0.03 0.96 0.42 -1.11 0.00 0.00 175.55 175.82 1upm s ILE 98 N -0.78 4.41 -0.21 2.71 -1.09 0.89 -0.38 121.20 126.75 1upm s ILE 98 Ca 0.02 0.76 -0.09 0.00 -2.23 0.00 0.00 60.65 59.11 1upm s ILE 98 Cb -0.07 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.28 1upm s ILE 98 CO 0.01 -0.91 0.11 0.00 -1.23 0.00 0.00 174.94 172.92 1upm s TYR 100 N 0.79 3.35 -0.01 0.00 1.51 -0.35 -0.78 117.35 121.85 1upm s TYR 100 Ca 0.06 0.39 0.06 0.00 -1.01 0.00 0.00 57.07 56.57 1upm s TYR 100 Cb -0.13 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 1upm s TYR 100 CO 0.02 0.05 -0.20 0.08 -1.11 0.00 0.00 175.55 174.39 1upm s VAL 101 N 1.10 1.60 -0.09 0.71 1.01 0.23 -1.75 120.40 123.22 1upm s VAL 101 Ca 0.12 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1upm s VAL 101 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1upm s VAL 101 CO 0.05 0.42 -0.18 0.00 0.00 0.00 0.00 175.10 175.40 1upm s ALA 102 N -0.51 2.46 -0.14 5.51 0.00 -0.43 0.28 121.76 128.92 1upm s ALA 102 Ca 0.08 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1upm s ALA 102 Cb -0.08 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1upm s ALA 102 CO -0.00 0.36 -0.14 0.71 0.00 0.00 0.00 175.76 176.68 1upm s TYR 103 N -0.01 2.13 0.43 0.00 2.02 0.86 -1.44 117.35 121.33 1upm s TYR 103 Ca -0.05 -1.15 -0.25 0.00 -0.37 0.00 0.00 57.07 55.24 1upm s TYR 103 Cb -0.15 -1.56 -0.09 0.00 -0.40 0.00 0.00 41.96 39.76 1upm s TYR 103 CO 0.05 -0.62 1.31 -2.30 -1.57 0.00 0.00 175.55 172.41 1upm n PRO 104 N 4.63 2.02 -0.33 -1.71 -0.02 -1.26 -0.17 135.00 138.16 1upm n PRO 104 Ca -0.17 0.72 0.23 0.00 -2.02 0.00 0.00 63.50 62.25 1upm n PRO 104 Cb 0.50 -2.45 0.45 0.00 -0.02 0.00 0.00 33.50 31.99 1upm n PRO 104 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1upm h LEU 105 N 2.15 0.46 0.00 2.45 5.85 -1.93 -2.28 115.31 122.01 1upm h LEU 105 Ca -0.49 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1upm h LEU 105 Cb 1.29 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1upm h LEU 105 CO 0.60 -0.13 0.00 0.47 -0.34 0.00 0.00 178.44 179.04 1upm n ASP 106 N -5.07 0.00 0.23 1.25 9.92 -1.26 -2.72 116.55 118.90 1upm n ASP 106 Ca 0.31 0.40 0.13 0.00 -0.53 0.00 0.00 54.79 55.10 1upm n ASP 106 Cb 0.95 -0.45 0.25 0.00 -0.64 0.00 0.00 41.12 41.23 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 -9.53 0.64 4.07 -1.78 -3.46 115.31 105.25 1upm h LEU 107 Ca 0.00 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 57.29 1upm h LEU 107 Cb 0.21 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.85 1upm h LEU 107 CO 0.00 0.00 -0.55 -0.36 -1.08 0.00 0.00 178.44 176.45 1upm s PHE 108 N -3.28 3.37 -0.11 1.13 0.08 -1.10 -5.06 117.98 113.01 1upm s PHE 108 Ca 0.06 0.31 -0.30 0.00 0.12 0.00 0.00 56.93 57.13 1upm s PHE 108 Cb 0.06 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 1upm s PHE 108 CO 0.65 0.59 1.05 -2.00 -0.10 0.00 0.00 175.22 175.41 1upm s GLU 109 N -1.29 4.40 0.19 0.44 2.12 -1.26 -5.00 118.70 118.30 1upm s GLU 109 Ca 0.18 1.44 -0.32 0.00 0.36 0.00 0.00 54.97 56.63 1upm s GLU 109 Cb -0.12 -3.55 -0.15 0.00 0.26 0.00 0.00 34.13 30.57 1upm s GLU 109 CO 0.08 -0.36 1.33 0.39 -0.54 0.00 0.00 175.26 176.16 1upm n GLU 110 N 5.14 1.66 -0.86 4.30 4.71 -1.26 -2.47 120.64 131.86 1upm n GLU 110 Ca 0.09 0.59 0.00 0.00 -0.01 0.00 0.00 57.16 57.84 1upm n GLU 110 Cb 0.48 -2.20 0.00 0.00 -1.01 0.00 0.00 31.44 28.71 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 2.27 0.47 3.13 0.62 0.00 -1.19 -4.98 105.19 105.50 1upm n GLY 111 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.37 5.32 0.22 1.61 0.15 -1.03 -4.92 113.70 112.67 1upm s SER 112 Ca 0.00 -2.24 -0.08 0.00 0.70 0.00 0.00 55.95 54.33 1upm s SER 112 Cb 0.00 -1.86 0.24 0.00 -1.71 0.00 0.00 66.02 62.69 1upm s SER 112 CO 0.00 -0.52 1.86 0.58 1.20 0.00 0.00 173.24 176.37 1upm h VAL 113 N 6.04 1.11 -0.85 4.45 2.07 -1.94 -1.92 116.25 125.21 1upm h VAL 113 Ca -0.11 -0.33 0.20 0.00 0.82 0.00 0.00 66.70 67.27 1upm h VAL 113 Cb 1.03 0.05 -0.16 0.00 -1.52 0.00 0.00 31.29 30.69 1upm h VAL 113 CO 0.72 0.18 -0.08 0.74 0.02 0.00 0.00 177.57 179.15 1upm h THR 114 N 0.98 0.18 -0.01 2.57 2.02 -1.91 -0.92 112.91 115.82 1upm h THR 114 Ca 0.32 -0.01 -0.15 0.00 0.77 0.00 0.00 66.41 67.33 1upm h THR 114 Cb 0.03 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1upm h THR 114 CO -0.12 0.01 -0.72 -1.13 0.37 0.00 0.00 175.52 173.93 1upm h ASN 115 N 0.04 0.05 -0.04 4.18 -0.73 -1.71 -1.15 115.58 116.23 1upm h ASN 115 Ca 0.46 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.57 1upm h ASN 115 Cb 0.81 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.38 1upm h ASN 115 CO -0.82 0.75 -0.03 -0.03 -0.37 0.00 0.00 177.43 176.93 1upm h MET 116 N 0.03 0.09 -0.87 6.67 4.05 -0.86 -2.55 114.93 121.49 1upm h MET 116 Ca -0.01 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1upm h MET 116 Cb 1.27 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 1upm h MET 116 CO 0.10 0.54 0.55 0.74 0.23 0.00 0.00 176.91 179.07 1upm h PHE 117 N -0.36 1.12 -0.52 1.39 0.04 -1.25 -2.41 116.94 114.94 1upm h PHE 117 Ca 0.01 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.82 1upm h PHE 117 Cb 0.52 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 1upm h PHE 117 CO 0.09 0.72 0.29 1.15 -0.60 0.00 0.00 178.31 179.96 1upm h THR 118 N 1.19 1.01 0.58 -1.55 2.02 -0.97 -0.71 112.91 114.48 1upm h THR 118 Ca 0.32 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 1upm h THR 118 Cb -0.09 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1upm h THR 118 CO -0.06 0.10 -0.28 0.28 0.37 0.00 0.00 175.52 175.93 1upm h SER 119 N 0.57 -0.66 1.19 4.18 0.02 -1.37 -2.79 113.55 114.70 1upm h SER 119 Ca 0.22 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1upm h SER 119 Cb 0.08 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1upm h SER 119 CO -0.12 -0.30 -0.18 0.40 -1.14 0.00 0.00 176.83 175.49 1upm h ILE 120 N -1.07 0.39 0.00 3.27 2.04 -1.12 -3.24 117.51 117.77 1upm h ILE 120 Ca -0.08 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1upm h ILE 120 Cb 0.65 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1upm h ILE 120 CO 0.13 0.18 -0.08 0.52 0.00 0.00 0.00 178.15 178.90 1upm n VAL 121 N -3.26 0.31 0.15 1.67 0.31 -0.30 -4.86 118.33 112.34 1upm n VAL 121 Ca 0.01 -0.33 -0.08 0.00 -0.01 0.00 0.00 64.34 63.94 1upm n VAL 121 Cb 0.46 0.75 -0.04 0.00 -0.91 0.00 0.00 33.84 34.10 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 -0.48 0.00 2.92 0.00 -1.48 -3.43 103.07 100.60 1upm h GLY 122 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1upm h GLY 122 CO 0.00 -0.18 -0.95 0.70 0.00 0.00 0.00 176.54 176.12 1upm n ASN 123 N -5.08 4.73 0.22 0.19 3.02 -1.26 -4.86 115.26 112.22 1upm n ASN 123 Ca -0.06 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.55 1upm n ASN 123 Cb 0.20 0.72 0.50 0.00 -0.61 0.00 0.00 39.78 40.58 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 1.08 0.00 2.41 -1.51 -1.86 -2.75 116.25 113.61 1upm h VAL 124 Ca 0.00 -0.79 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1upm h VAL 124 Cb 0.46 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1upm h VAL 124 CO 0.00 0.22 0.00 0.49 -1.23 0.00 0.00 177.57 177.05 1upm n PHE 125 N -4.15 0.00 -0.00 5.19 3.01 -1.26 -2.76 117.46 117.48 1upm n PHE 125 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1upm n PHE 125 Cb 0.29 -0.34 0.01 0.00 -0.01 0.00 0.00 39.48 39.43 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 -1.12 1.96 3.63 1.37 0.00 -1.04 -4.85 105.19 105.15 1upm n GLY 126 Ca 0.01 -0.02 -0.48 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.33 1.88 -0.14 1.61 3.72 -1.11 -4.90 117.46 118.18 1upm n PHE 127 Ca 0.01 0.48 0.01 0.00 -0.05 0.00 0.00 57.45 57.89 1upm n PHE 127 Cb 0.20 -2.42 0.28 0.00 -0.94 0.00 0.00 39.48 36.60 1upm n PHE 127 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1upm h LYS 128 N 4.73 0.84 0.00 -1.08 1.57 -1.95 -2.71 116.57 117.97 1upm h LYS 128 Ca -0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1upm h LYS 128 Cb 1.30 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1upm h LYS 128 CO 0.80 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 180.28 1upm n ALA 129 N -2.44 1.68 -2.49 3.86 0.00 -1.26 -4.67 120.51 115.18 1upm n ALA 129 Ca 0.06 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1upm n ALA 129 Cb 0.08 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.64 2.71 -0.09 0.00 1.43 -1.02 -1.86 118.68 117.21 1upm s LEU 130 Ca 0.10 -0.52 0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1upm s LEU 130 Cb 0.08 -1.56 -0.24 0.00 0.03 0.00 0.00 46.19 44.50 1upm s LEU 130 CO 0.18 0.19 0.49 0.54 0.23 0.00 0.00 176.35 177.99 1upm n ARG 131 N 0.92 0.65 -3.52 1.70 1.74 0.74 -4.75 116.66 114.14 1upm n ARG 131 Ca -0.16 0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 1upm n ARG 131 Cb 0.53 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1upm n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1upm s ALA 132 N -2.57 -1.81 -0.17 7.54 0.00 -1.14 -5.03 121.76 118.58 1upm s ALA 132 Ca -0.08 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 1upm s ALA 132 Cb 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.23 1upm s ALA 132 CO 0.82 -0.47 0.40 -1.17 0.00 0.00 0.00 175.76 175.34 1upm s LEU 133 N -1.64 -0.05 -0.05 0.00 2.96 -1.21 -1.92 118.68 116.77 1upm s LEU 133 Ca -0.03 0.88 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 1upm s LEU 133 Cb -0.00 1.33 0.02 0.00 0.50 0.00 0.00 46.19 48.03 1upm s LEU 133 CO 0.00 -0.19 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.17 1upm s ARG 134 N 1.34 1.11 -0.23 1.98 3.52 -0.72 -0.85 118.95 125.10 1upm s ARG 134 Ca -0.09 -0.22 -0.22 0.00 -0.13 0.00 0.00 55.73 55.07 1upm s ARG 134 Cb -0.08 -1.01 -0.02 0.00 -1.56 0.00 0.00 34.95 32.28 1upm s ARG 134 CO -0.12 -0.02 0.68 -1.17 -0.81 0.00 0.00 175.30 173.85 1upm s LEU 135 N 0.74 4.10 -0.20 -0.88 2.96 0.16 -0.42 118.68 125.15 1upm s LEU 135 Ca -0.12 0.84 0.11 0.00 -0.22 0.00 0.00 54.13 54.74 1upm s LEU 135 Cb -0.14 -2.95 -0.22 0.00 0.50 0.00 0.00 46.19 43.38 1upm s LEU 135 CO 0.01 -0.36 0.06 -0.62 -1.32 0.00 0.00 176.35 174.12 1upm n GLU 136 N 5.48 0.68 -3.53 1.98 -0.58 -0.15 -0.91 120.64 123.61 1upm n GLU 136 Ca 0.00 0.09 -0.09 0.00 -0.42 0.00 0.00 57.16 56.74 1upm n GLU 136 Cb 0.49 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 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 -5.97 -0.41 -0.01 1.62 -1.08 -1.22 -4.64 116.67 104.96 1upm s ASP 137 Ca -0.18 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 1upm s ASP 137 Cb 0.07 0.51 0.01 0.00 -1.46 0.00 0.00 42.92 42.05 1upm s ASP 137 CO 0.75 -0.85 -0.01 -0.76 0.52 0.00 0.00 175.17 174.82 1upm s LEU 138 N -2.68 1.79 -0.45 -1.34 1.43 -1.26 -2.46 118.68 113.71 1upm s LEU 138 Ca 0.05 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 1upm s LEU 138 Cb -0.01 -0.10 0.05 0.00 0.03 0.00 0.00 46.19 46.16 1upm s LEU 138 CO -0.08 -0.01 0.38 -0.60 0.23 0.00 0.00 176.35 176.27 1upm s ARG 139 N 0.23 2.99 -0.37 1.70 3.00 0.68 -4.92 118.95 122.25 1upm s ARG 139 Ca -0.02 -1.15 -0.20 0.00 -1.00 0.00 0.00 55.73 53.36 1upm s ARG 139 Cb -0.04 -4.06 0.01 0.00 0.00 0.00 0.00 34.95 30.86 1upm s ARG 139 CO -0.01 -0.92 0.59 0.42 0.00 0.00 0.00 175.30 175.38 1upm s ILE 140 N 1.76 4.92 0.49 4.11 1.01 -1.26 -2.63 121.20 129.60 1upm s ILE 140 Ca 0.06 0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.87 1upm s ILE 140 Cb -0.21 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 1upm s ILE 140 CO 0.09 -0.34 1.30 -2.16 0.00 0.00 0.00 174.94 173.82 1upm s PRO 141 N 2.62 3.48 0.45 2.79 0.04 -1.26 -4.68 135.00 138.44 1upm s PRO 141 Ca 0.22 2.10 0.12 0.00 0.04 0.00 0.00 61.00 63.47 1upm s PRO 141 Cb -0.15 -2.40 1.01 0.00 0.04 0.00 0.00 34.50 33.00 1upm s PRO 141 CO 0.15 -0.87 2.05 -0.39 0.04 0.00 0.00 177.00 177.98 1upm h VAL 142 N 1.78 1.09 -0.54 -0.36 -1.51 -1.84 -0.84 116.25 114.03 1upm h VAL 142 Ca -0.50 -0.32 0.02 0.00 -1.23 0.00 0.00 66.70 64.67 1upm h VAL 142 Cb 1.27 0.96 -0.03 0.00 -2.13 0.00 0.00 31.29 31.37 1upm h VAL 142 CO 0.59 0.11 0.36 0.00 -1.23 0.00 0.00 177.57 177.40 1upm h ALA 143 N 1.82 1.67 0.09 5.19 0.00 -1.91 -2.10 119.26 124.01 1upm h ALA 143 Ca 0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 1upm h ALA 143 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1upm h ALA 143 CO -0.00 0.29 -1.44 -0.92 0.00 0.00 0.00 179.25 177.17 1upm h TYR 144 N 0.68 0.34 -0.88 0.00 3.20 -1.56 -3.29 116.97 115.46 1upm h TYR 144 Ca 0.21 -0.25 0.14 0.00 3.14 0.00 0.00 58.73 61.97 1upm h TYR 144 Cb 0.00 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.17 1upm h TYR 144 CO -0.00 1.27 0.49 0.28 -1.64 0.00 0.00 178.16 178.57 1upm h VAL 145 N 0.05 0.80 0.00 1.81 2.07 -0.84 -1.78 116.25 118.36 1upm h VAL 145 Ca -0.20 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1upm h VAL 145 Cb 1.97 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1upm h VAL 145 CO 0.15 0.13 0.00 0.11 0.02 0.00 0.00 177.57 177.99 1upm h LYS 146 N 0.73 0.00 0.00 1.57 1.79 -1.46 -2.68 116.57 116.53 1upm h LYS 146 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1upm h LYS 146 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1upm h LYS 146 CO -0.32 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.30 1upm n THR 147 N -2.45 0.00 -4.35 -0.16 -2.24 -0.67 -4.88 114.28 99.53 1upm n THR 147 Ca 0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.53 1upm n THR 147 Cb 0.21 -0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.00 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 2.08 0.08 4.78 0.08 -1.01 -3.16 117.98 118.83 1upm s PHE 148 Ca 0.25 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.82 1upm s PHE 148 Cb 0.11 -1.11 -0.23 0.00 -0.57 0.00 0.00 43.02 41.22 1upm s PHE 148 CO 0.19 0.31 1.17 0.37 -0.10 0.00 0.00 175.22 177.16 1upm h GLN 149 N 3.83 0.44 0.00 0.44 4.15 -1.87 -3.50 115.11 118.59 1upm h GLN 149 Ca -0.48 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.34 1upm h GLN 149 Cb 1.18 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.07 1upm h GLN 149 CO 0.41 1.24 0.00 0.41 -1.93 0.00 0.00 178.83 178.96 1upm n GLY 150 N 1.31 -0.92 3.59 2.39 0.00 -0.73 -4.85 105.19 105.99 1upm n GLY 150 Ca -0.10 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.10 0.77 -0.15 1.61 -0.02 -1.24 -4.23 135.00 131.63 1upm n PRO 151 Ca 0.00 0.30 -0.08 0.00 -2.02 0.00 0.00 63.50 61.70 1upm n PRO 151 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1upm n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1upm h PRO 152 N 0.31 0.65 0.00 0.52 0.11 -1.84 -3.43 132.00 128.31 1upm h PRO 152 Ca -0.48 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1upm h PRO 152 Cb 1.37 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1upm h PRO 152 CO 0.49 0.55 0.00 0.72 -0.21 0.00 0.00 178.00 179.56 1upm n HIS 153 N -4.65 -0.32 0.00 0.65 8.25 -1.26 -4.69 115.22 113.20 1upm n HIS 153 Ca 0.01 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1upm n HIS 153 Cb 0.11 0.09 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 3.20 -0.16 0.15 -1.41 0.00 -1.26 -4.55 105.19 101.16 1upm n GLY 154 Ca 0.00 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 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 0.66 0.40 -0.61 2.04 -1.64 -1.40 117.51 116.96 1upm h ILE 155 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1upm h ILE 155 Cb 0.00 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1upm h ILE 155 CO 0.00 0.00 -0.25 -0.61 0.00 0.00 0.00 178.15 177.29 1upm h GLN 156 N -0.04 -0.60 -0.50 2.37 4.15 -1.89 -2.50 115.11 116.11 1upm h GLN 156 Ca 0.14 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1upm h GLN 156 Cb 0.25 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1upm h GLN 156 CO -0.31 -0.40 0.31 0.28 -1.93 0.00 0.00 178.83 176.78 1upm h VAL 157 N -0.62 1.15 -0.63 2.39 2.07 -1.77 -1.54 116.25 117.29 1upm h VAL 157 Ca -0.04 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.21 1upm h VAL 157 Cb 0.51 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1upm h VAL 157 CO 0.04 0.15 0.33 -0.08 0.02 0.00 0.00 177.57 178.03 1upm h GLU 158 N 0.67 0.59 -0.68 1.57 4.81 -1.19 0.41 114.58 120.76 1upm h GLU 158 Ca 0.18 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1upm h GLU 158 Cb -0.02 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1upm h GLU 158 CO -0.03 0.39 0.34 0.00 -0.73 0.00 0.00 179.01 178.98 1upm h ARG 159 N 0.61 0.97 -0.49 1.92 3.08 -1.13 -1.94 114.38 117.39 1upm h ARG 159 Ca 0.29 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 1upm h ARG 159 Cb 0.20 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1upm h ARG 159 CO -0.19 0.75 0.01 -0.44 -1.07 0.00 0.00 179.97 179.03 1upm h ASP 160 N 0.94 0.85 -0.84 7.04 3.32 -0.66 0.12 116.42 127.19 1upm h ASP 160 Ca 0.23 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 57.01 1upm h ASP 160 Cb 0.09 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1upm h ASP 160 CO -0.03 0.94 0.54 0.11 -1.72 0.00 0.00 179.24 179.08 1upm h LYS 161 N 0.73 1.02 0.00 3.56 1.79 -0.02 -3.11 116.57 120.53 1upm h LYS 161 Ca 0.14 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1upm h LYS 161 Cb 0.51 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1upm h LYS 161 CO 0.02 0.67 -0.70 1.28 -1.08 0.00 0.00 179.45 179.65 1upm n LEU 162 N -4.56 0.62 -3.14 2.94 4.77 -0.75 -4.96 117.00 111.92 1upm n LEU 162 Ca 0.10 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.83 1upm n LEU 162 Cb 0.09 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1upm n LEU 162 CO 0.34 0.11 0.19 -3.20 -1.33 0.00 0.00 177.39 173.50 1upm n ASN 163 N -1.67 -5.16 -4.03 -1.43 4.05 0.37 -4.65 115.26 102.74 1upm n ASN 163 Ca 0.04 -0.47 -0.31 0.00 0.45 0.00 0.00 54.58 54.29 1upm n ASN 163 Cb 0.37 -4.40 -0.16 0.00 1.23 0.00 0.00 39.78 36.82 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 -5.97 2.29 0.00 1.20 1.02 -0.85 -5.03 119.74 112.41 1upm s LYS 164 Ca 0.42 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1upm s LYS 164 Cb -0.19 -2.46 -0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1upm s LYS 164 CO 0.62 -0.37 -0.01 0.71 -0.92 0.00 0.00 175.35 175.38 1upm s TYR 165 N 1.35 0.12 0.00 3.18 2.02 -1.26 -4.70 117.35 118.05 1upm s TYR 165 Ca -0.00 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 1upm s TYR 165 Cb -0.16 -0.08 0.00 0.00 -0.40 0.00 0.00 41.96 41.33 1upm s TYR 165 CO -0.09 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 1upm n GLY 166 N 2.89 0.80 3.52 0.71 0.00 -1.26 -5.03 105.19 106.82 1upm n GLY 166 Ca -0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.65 0.84 0.76 1.61 1.70 -1.26 -5.02 118.95 116.93 1upm s ARG 167 Ca 0.00 -0.09 -0.15 0.00 -0.47 0.00 0.00 55.73 55.02 1upm s ARG 167 Cb 0.00 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1upm s ARG 167 CO 0.00 -0.32 0.78 -2.30 -1.08 0.00 0.00 175.30 172.38 1upm n PRO 168 N 0.23 0.30 -2.92 3.89 -0.02 -1.13 -4.80 135.00 130.55 1upm n PRO 168 Ca -0.12 0.16 -0.26 0.00 -2.02 0.00 0.00 63.50 61.25 1upm n PRO 168 Cb 0.60 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 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 -2.21 3.78 -0.12 2.45 1.43 -0.22 -4.94 118.68 118.86 1upm s LEU 169 Ca 0.69 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 1upm s LEU 169 Cb -0.33 -3.69 -0.00 0.00 0.03 0.00 0.00 46.19 42.20 1upm s LEU 169 CO 0.55 -0.46 -0.21 -0.76 0.23 0.00 0.00 176.35 175.70 1upm s LEU 170 N -4.49 2.27 0.00 1.79 1.43 -1.26 -0.12 118.68 118.29 1upm s LEU 170 Ca 0.45 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1upm s LEU 170 Cb -0.10 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1upm s LEU 170 CO 0.41 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.74 1upm n GLY 171 N 3.62 4.14 3.21 -3.19 0.00 -0.48 -1.38 105.19 111.10 1upm n GLY 171 Ca -0.19 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 43.99 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 2.19 4.33 0.31 0.00 2.01 -1.26 -4.36 115.64 118.86 1upm s THR 173 Ca -0.01 1.84 -0.28 0.00 0.31 0.00 0.00 61.69 63.55 1upm s THR 173 Cb -0.02 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 1upm s THR 173 CO -0.16 0.48 1.09 -0.63 -0.69 0.00 0.00 174.62 174.72 1upm s ILE 174 N -0.95 3.52 0.41 1.82 -1.09 -1.26 -4.38 121.20 119.27 1upm s ILE 174 Ca 0.38 1.44 0.02 0.00 -2.23 0.00 0.00 60.65 60.27 1upm s ILE 174 Cb -0.24 -3.88 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1upm s ILE 174 CO 0.28 0.28 0.20 0.29 -1.23 0.00 0.00 174.94 174.75 1upm n LYS 175 N 0.88 0.94 -0.31 2.79 4.76 -1.26 -4.41 118.16 121.55 1upm n LYS 175 Ca 0.00 -2.73 0.00 0.00 -2.87 0.00 0.00 58.31 52.71 1upm n LYS 175 Cb 0.46 0.47 0.00 0.00 -1.84 0.00 0.00 35.03 34.11 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 -1.30 0.00 -0.21 1.97 -0.01 -1.26 -4.93 135.00 129.26 1upm n PRO 176 Ca -0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 63.50 63.36 1upm n PRO 176 Cb 0.49 -0.09 0.00 0.00 -0.01 0.00 0.00 33.50 33.89 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 2.47 -0.16 -6.04 -0.52 1.57 -2.00 -3.43 116.57 108.47 1upm h LYS 177 Ca 0.00 0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.25 1upm h LYS 177 Cb 0.00 0.04 -0.18 0.00 0.08 0.00 0.00 32.23 32.17 1upm h LYS 177 CO 0.00 -0.10 -0.79 -0.51 -0.57 0.00 0.00 179.45 177.48 1upm s LEU 178 N -10.70 2.45 0.00 2.94 1.43 -1.26 -4.66 118.68 108.88 1upm s LEU 178 Ca -0.14 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1upm s LEU 178 Cb 0.16 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1upm s LEU 178 CO 0.69 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.87 1upm n GLY 179 N 0.21 0.59 3.87 -3.19 0.00 -1.26 -5.09 105.19 100.32 1upm n GLY 179 Ca -0.12 0.00 -0.30 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 3.37 0.43 0.99 1.43 -1.26 -5.02 118.68 118.63 1upm s LEU 180 Ca 0.00 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1upm s LEU 180 Cb 0.00 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.86 1upm s LEU 180 CO 0.00 -0.76 0.67 -0.94 0.23 0.00 0.00 176.35 175.55 1upm s SER 181 N -4.01 6.06 0.18 2.29 1.04 -1.26 -4.45 113.70 113.56 1upm s SER 181 Ca 0.54 0.51 -0.17 0.00 0.48 0.00 0.00 55.95 57.31 1upm s SER 181 Cb -0.11 -1.87 0.13 0.00 0.10 0.00 0.00 66.02 64.27 1upm s SER 181 CO 0.49 -0.57 1.64 0.00 0.98 0.00 0.00 173.24 175.78 1upm h ALA 182 N 0.43 0.22 0.00 5.32 0.00 -1.93 0.15 119.26 123.46 1upm h ALA 182 Ca -0.47 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1upm h ALA 182 Cb 1.23 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1upm h ALA 182 CO 0.60 -0.50 -0.46 -0.22 0.00 0.00 0.00 179.25 178.67 1upm h LYS 183 N -0.06 0.00 -0.07 0.00 3.64 -1.95 -2.74 116.57 115.40 1upm h LYS 183 Ca 0.22 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.43 1upm h LYS 183 Cb 0.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1upm h LYS 183 CO -0.50 0.46 -0.70 -0.91 -2.27 0.00 0.00 179.45 175.53 1upm h ASN 184 N 0.00 0.37 -0.46 4.20 -0.26 -1.59 -1.82 115.58 116.03 1upm h ASN 184 Ca -0.00 -0.24 0.04 0.00 -0.56 0.00 0.00 56.30 55.53 1upm h ASN 184 Cb 0.85 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.96 1upm h ASN 184 CO 0.06 0.95 0.23 0.22 -1.06 0.00 0.00 177.43 177.83 1upm h TYR 185 N 0.22 0.41 -0.34 1.19 3.20 -0.56 -1.51 116.97 119.58 1upm h TYR 185 Ca -0.02 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1upm h TYR 185 Cb 1.25 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1upm h TYR 185 CO 0.03 0.21 -0.29 0.78 -1.64 0.00 0.00 178.16 177.25 1upm h GLY 186 N 0.45 0.78 0.83 1.82 0.00 -1.39 -0.04 103.07 105.52 1upm h GLY 186 Ca 0.20 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 46.84 1upm h GLY 186 CO -0.14 0.65 0.17 -0.09 0.00 0.00 0.00 176.54 177.12 1upm h ARG 187 N 0.62 0.34 -0.35 4.80 2.43 -1.02 0.08 114.38 121.27 1upm h ARG 187 Ca 0.07 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1upm h ARG 187 Cb 0.81 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1upm h ARG 187 CO 0.07 0.22 0.22 0.00 -1.51 0.00 0.00 179.97 178.97 1upm h ALA 188 N 1.18 0.45 -0.53 2.80 0.00 -1.01 -2.66 119.26 119.49 1upm h ALA 188 Ca 0.14 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1upm h ALA 188 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1upm h ALA 188 CO -0.10 -0.06 0.28 0.28 0.00 0.00 0.00 179.25 179.65 1upm h VAL 189 N 0.46 0.99 -0.19 0.00 2.07 -0.62 -1.62 116.25 117.33 1upm h VAL 189 Ca 0.13 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1upm h VAL 189 Cb -0.01 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1upm h VAL 189 CO -0.02 0.10 0.03 0.22 0.02 0.00 0.00 177.57 177.91 1upm h TYR 190 N 0.55 0.04 -0.46 1.57 3.20 -0.84 -1.47 116.97 119.57 1upm h TYR 190 Ca 0.23 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 1upm h TYR 190 Cb 0.10 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1upm h TYR 190 CO -0.09 0.01 -0.20 0.93 -1.64 0.00 0.00 178.16 177.17 1upm h GLU 191 N 0.10 0.92 0.23 1.82 4.39 -1.17 -1.68 114.58 119.19 1upm h GLU 191 Ca 0.09 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1upm h GLU 191 Cb 0.09 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1upm h GLU 191 CO -0.13 1.03 -0.23 0.00 -1.16 0.00 0.00 179.01 178.53 1upm h LEU 193 N -0.49 0.15 -0.32 0.00 4.07 -1.00 -2.72 115.31 115.00 1upm h LEU 193 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1upm h LEU 193 Cb 0.46 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1upm h LEU 193 CO -0.05 0.50 0.00 0.08 -1.08 0.00 0.00 178.44 177.89 1upm h ARG 194 N 0.13 0.00 -0.00 1.13 0.11 -1.32 -2.89 114.38 111.55 1upm h ARG 194 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1upm h ARG 194 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 1upm h ARG 194 CO 0.05 0.00 -0.35 0.41 0.10 0.00 0.00 179.97 180.18 1upm n GLY 195 N 0.79 -1.18 0.00 0.08 0.00 -1.03 -4.91 105.19 98.93 1upm n GLY 195 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.46 -0.11 3.78 -0.02 0.00 -1.09 -2.46 105.19 106.75 1upm n GLY 196 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 4.11 0.06 0.99 1.43 -1.25 -4.86 118.68 119.16 1upm s LEU 197 Ca 0.00 2.19 -0.06 0.00 -1.03 0.00 0.00 54.13 55.22 1upm s LEU 197 Cb 0.00 -4.17 -0.30 0.00 0.03 0.00 0.00 46.19 41.75 1upm s LEU 197 CO 0.00 -0.66 1.10 0.44 0.23 0.00 0.00 176.35 177.46 1upm h ASP 198 N 2.39 0.50 -4.40 2.29 3.32 -1.58 -3.43 116.42 115.50 1upm h ASP 198 Ca -0.49 -0.54 -0.31 0.00 0.02 0.00 0.00 57.03 55.72 1upm h ASP 198 Cb 1.23 -0.16 -0.18 0.00 0.22 0.00 0.00 39.33 40.44 1upm h ASP 198 CO 0.62 1.42 -0.73 -0.36 -1.72 0.00 0.00 179.24 178.47 1upm s PHE 199 N -2.64 1.04 0.00 4.55 0.08 -0.48 -1.60 117.98 118.92 1upm s PHE 199 Ca -0.05 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.32 1upm s PHE 199 Cb 0.07 -0.57 0.00 0.00 -0.57 0.00 0.00 43.02 41.95 1upm s PHE 199 CO 0.89 -0.01 0.00 0.25 -0.10 0.00 0.00 175.22 176.25 1upm n THR 200 N 0.51 0.00 -2.71 0.64 -2.24 -0.99 -3.20 114.28 106.28 1upm n THR 200 Ca -0.16 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 1upm n THR 200 Cb 0.58 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 1upm n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upm s ASP 202 N 0.97 7.43 0.67 3.42 1.01 -0.81 -1.38 116.67 127.98 1upm s ASP 202 Ca 0.00 1.95 -0.16 0.00 0.71 0.00 0.00 52.55 55.05 1upm s ASP 202 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1upm s ASP 202 CO 0.00 -0.00 1.18 -0.62 0.21 0.00 0.00 175.17 175.94 1upm s ASP 203 N -1.33 4.79 0.54 0.27 -1.08 -1.26 -4.87 116.67 113.73 1upm s ASP 203 Ca 0.46 2.25 0.27 0.00 -0.52 0.00 0.00 52.55 55.01 1upm s ASP 203 Cb -0.24 -2.58 1.44 0.00 -1.46 0.00 0.00 42.92 40.08 1upm s ASP 203 CO 0.30 -1.86 1.97 1.05 0.52 0.00 0.00 175.17 177.15 1upm h GLU 204 N 0.18 0.00 -0.01 4.34 9.09 -1.98 -1.45 114.58 124.74 1upm h GLU 204 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1upm h GLU 204 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1upm h GLU 204 CO 0.53 0.00 -0.58 0.27 0.05 0.00 0.00 179.01 179.28 1upm n ASN 205 N -4.26 1.44 -4.55 3.06 6.94 -1.26 -4.78 115.26 111.85 1upm n ASN 205 Ca 0.11 -1.22 -0.37 0.00 -0.02 0.00 0.00 54.58 53.08 1upm n ASN 205 Cb 0.67 0.68 -0.03 0.00 -2.36 0.00 0.00 39.78 38.74 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 -2.38 3.33 0.00 3.53 1.01 -0.55 -4.82 120.40 120.52 1upm s VAL 206 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1upm s VAL 206 Cb 0.15 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1upm s VAL 206 CO 0.58 -0.84 0.00 0.59 0.00 0.00 0.00 175.10 175.44 1upm n ASN 207 N 13.13 0.00 -3.77 3.32 5.03 -1.26 -4.75 115.26 126.95 1upm n ASN 207 Ca 0.23 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.51 1upm n ASN 207 Cb 0.52 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 39.11 1upm n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1upm s SER 208 N 0.28 0.46 0.25 6.41 0.15 -1.26 -4.21 113.70 115.79 1upm s SER 208 Ca 0.00 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.58 1upm s SER 208 Cb 0.00 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1upm s SER 208 CO 0.00 -0.14 0.38 -1.10 1.20 0.00 0.00 173.24 173.58 1upm s GLN 209 N 1.27 1.50 0.44 5.44 1.11 -0.29 -4.92 119.66 124.21 1upm s GLN 209 Ca -0.06 -1.43 0.14 0.00 0.01 0.00 0.00 55.36 54.01 1upm s GLN 209 Cb -0.13 0.41 1.05 0.00 -1.01 0.00 0.00 33.01 33.32 1upm s GLN 209 CO -0.03 -0.59 1.99 -1.35 0.01 0.00 0.00 175.29 175.32 1upm h PRO 210 N 2.34 0.37 0.00 2.91 0.11 -2.02 -0.02 132.00 135.69 1upm h PRO 210 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1upm h PRO 210 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1upm h PRO 210 CO 0.41 0.25 0.00 0.27 -0.21 0.00 0.00 178.00 178.72 1upm h PHE 211 N 0.39 0.00 -1.06 0.65 -5.15 -1.96 -3.45 116.94 106.36 1upm h PHE 211 Ca 0.27 0.00 0.16 0.00 -0.20 0.00 0.00 57.97 58.19 1upm h PHE 211 Cb 0.53 0.00 -0.22 0.00 0.22 0.00 0.00 35.95 36.48 1upm h PHE 211 CO -0.00 0.00 0.06 1.41 -2.00 0.00 0.00 178.31 177.78 1upm s MET 212 N -3.18 0.37 0.15 6.09 0.00 -0.02 -4.28 119.30 118.42 1upm s MET 212 Ca 0.09 0.84 -0.03 0.00 0.00 0.00 0.00 55.69 56.59 1upm s MET 212 Cb 0.10 0.49 -0.05 0.00 0.00 0.00 0.00 34.83 35.38 1upm s MET 212 CO 0.58 -0.22 0.36 1.03 0.00 0.00 0.00 175.02 176.77 1upm s ARG 213 N 2.69 3.56 0.19 4.11 1.81 -1.24 -1.14 118.95 128.93 1upm s ARG 213 Ca 0.01 -0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 53.68 1upm s ARG 213 Cb -0.09 -2.87 0.10 0.00 -0.45 0.00 0.00 34.95 31.64 1upm s ARG 213 CO -0.17 0.47 1.83 0.11 -0.68 0.00 0.00 175.30 176.85 1upm h TRP 214 N 2.60 0.83 -0.33 -0.53 5.08 -1.91 -2.91 115.95 118.78 1upm h TRP 214 Ca -0.46 -0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.38 1upm h TRP 214 Cb 1.17 -0.27 -0.01 0.00 -3.00 0.00 0.00 29.16 27.05 1upm h TRP 214 CO 0.59 0.56 -0.30 -0.09 -1.28 0.00 0.00 178.44 177.92 1upm h ARG 215 N 0.85 0.70 -0.73 0.12 2.43 -1.95 0.14 114.38 115.95 1upm h ARG 215 Ca 0.23 -0.31 0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1upm h ARG 215 Cb -0.03 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 1upm h ARG 215 CO -0.04 0.91 0.41 -0.44 -1.51 0.00 0.00 179.97 179.30 1upm h ASP 216 N 0.59 0.60 -0.10 -3.80 3.32 -1.97 -2.54 116.42 112.52 1upm h ASP 216 Ca 0.07 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1upm h ASP 216 Cb 0.81 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 1upm h ASP 216 CO 0.07 0.37 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.84 1upm h ARG 217 N 0.73 0.21 -0.72 3.56 2.43 -1.00 -2.35 114.38 117.25 1upm h ARG 217 Ca 0.33 -0.08 0.15 0.00 -0.81 0.00 0.00 59.98 59.57 1upm h ARG 217 Cb 0.24 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.68 1upm h ARG 217 CO -0.20 0.53 0.21 0.74 -1.51 0.00 0.00 179.97 179.74 1upm h PHE 218 N -0.13 0.35 -0.17 2.20 -1.00 -1.00 0.49 116.94 117.67 1upm h PHE 218 Ca 0.03 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 1upm h PHE 218 Cb 0.46 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1upm h PHE 218 CO 0.06 -0.03 0.03 1.25 -1.61 0.00 0.00 178.31 178.02 1upm h LEU 219 N 0.33 0.26 -0.79 1.54 6.46 -1.34 -0.74 115.31 121.03 1upm h LEU 219 Ca 0.40 -0.25 -0.12 0.00 -0.12 0.00 0.00 57.88 57.79 1upm h LEU 219 Cb 0.64 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1upm h LEU 219 CO -0.45 0.44 -0.45 -0.26 -0.62 0.00 0.00 178.44 177.09 1upm h PHE 220 N 0.07 0.43 -0.11 1.25 0.04 -1.16 -2.56 116.94 114.89 1upm h PHE 220 Ca 0.05 -0.13 -0.13 0.00 2.80 0.00 0.00 57.97 60.56 1upm h PHE 220 Cb 0.29 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1upm h PHE 220 CO 0.01 0.75 -0.50 0.00 -0.60 0.00 0.00 178.31 177.97 1upm h ALA 222 N 1.24 0.32 -0.26 0.00 0.00 -1.03 0.93 119.26 120.46 1upm h ALA 222 Ca 0.01 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 222 Cb 0.97 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1upm h ALA 222 CO 0.08 -0.16 -0.04 1.49 0.00 0.00 0.00 179.25 180.62 1upm h GLU 223 N 0.31 0.03 0.01 0.00 4.81 -1.04 -2.16 114.58 116.55 1upm h GLU 223 Ca 0.09 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1upm h GLU 223 Cb 0.04 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1upm h GLU 223 CO -0.02 0.02 -0.01 0.00 -0.73 0.00 0.00 179.01 178.27 1upm h ALA 224 N 1.25 -0.02 -0.83 2.92 0.00 -1.19 -1.09 119.26 120.30 1upm h ALA 224 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1upm h ALA 224 Cb 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1upm h ALA 224 CO -0.25 -0.51 0.52 1.37 0.00 0.00 0.00 179.25 180.38 1upm h LEU 225 N -0.03 0.97 -0.68 0.00 8.10 -0.63 -1.21 115.31 121.83 1upm h LEU 225 Ca 0.00 -0.04 -0.14 0.00 0.11 0.00 0.00 57.88 57.81 1upm h LEU 225 Cb 0.03 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 39.99 1upm h LEU 225 CO -0.00 0.73 -0.55 1.88 -4.11 0.00 0.00 178.44 176.38 1upm h TYR 226 N 1.13 0.38 -0.62 0.17 0.05 -1.21 0.10 116.97 116.96 1upm h TYR 226 Ca 0.30 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.89 1upm h TYR 226 Cb -0.09 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1upm h TYR 226 CO 0.00 0.79 0.17 -0.22 -1.05 0.00 0.00 178.16 177.84 1upm h LYS 227 N 0.23 0.97 -0.25 4.88 3.64 -0.36 -2.47 116.57 123.20 1upm h LYS 227 Ca 0.00 -0.21 -0.18 0.00 -1.27 0.00 0.00 60.65 59.00 1upm h LYS 227 Cb 1.05 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1upm h LYS 227 CO 0.09 0.85 -0.54 0.00 -2.27 0.00 0.00 179.45 177.58 1upm h ALA 228 N 1.25 0.40 -0.94 5.00 0.00 -0.69 -2.44 119.26 121.84 1upm h ALA 228 Ca 0.20 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.69 1upm h ALA 228 Cb 0.31 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1upm h ALA 228 CO -0.00 0.61 0.58 0.37 0.00 0.00 0.00 179.25 180.81 1upm h GLN 229 N 0.56 0.95 -0.04 0.00 4.15 -0.96 -1.59 115.11 118.18 1upm h GLN 229 Ca 0.00 -0.06 -0.19 0.00 0.77 0.00 0.00 58.65 59.17 1upm h GLN 229 Cb 1.16 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1upm h GLN 229 CO 0.12 0.63 -0.80 0.00 -1.93 0.00 0.00 178.83 176.85 1upm h ALA 230 N 1.48 0.55 -0.35 3.38 0.00 -1.32 -1.44 119.26 121.56 1upm h ALA 230 Ca 0.44 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1upm h ALA 230 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1upm h ALA 230 CO -0.23 0.81 0.06 1.49 0.00 0.00 0.00 179.25 181.38 1upm h GLU 231 N 0.22 0.58 0.00 0.00 4.81 -1.19 -3.35 114.58 115.64 1upm h GLU 231 Ca -0.04 -0.15 -0.24 0.00 -0.13 0.00 0.00 59.36 58.79 1upm h GLU 231 Cb 1.39 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 1upm h GLU 231 CO 0.13 0.65 -1.64 0.25 -0.73 0.00 0.00 179.01 177.67 1upm n THR 232 N -4.58 1.41 -0.74 0.32 -2.24 -0.62 -4.98 114.28 102.85 1upm n THR 232 Ca -0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1upm n THR 232 Cb 0.22 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1upm n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1upm n GLY 233 N 1.50 0.58 3.19 3.38 0.00 -0.54 -5.06 105.19 108.24 1upm n GLY 233 Ca -0.15 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.96 1.29 0.32 1.61 2.02 -1.23 -5.06 118.70 116.68 1upm s GLU 234 Ca 0.00 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 1upm s GLU 234 Cb 0.00 -1.32 -0.10 0.00 0.10 0.00 0.00 34.13 32.81 1upm s GLU 234 CO 0.00 0.34 1.34 0.42 0.02 0.00 0.00 175.26 177.38 1upm s ILE 235 N -0.66 2.66 0.19 -1.63 1.01 -1.26 -4.50 121.20 117.01 1upm s ILE 235 Ca 0.06 0.65 0.10 0.00 0.00 0.00 0.00 60.65 61.46 1upm s ILE 235 Cb -0.08 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1upm s ILE 235 CO 0.01 0.15 -0.20 -0.54 0.00 0.00 0.00 174.94 174.35 1upm s LYS 236 N -1.61 1.40 0.04 2.79 -0.14 -1.26 -4.89 119.74 116.06 1upm s LYS 236 Ca 0.51 -1.50 0.00 0.00 -1.36 0.00 0.00 55.97 53.62 1upm s LYS 236 Cb -0.41 -1.53 -0.03 0.00 -1.68 0.00 0.00 37.83 34.18 1upm s LYS 236 CO 0.52 0.31 -0.04 0.20 -0.76 0.00 0.00 175.35 175.59 1upm s GLY 237 N -2.81 0.39 -0.07 -3.33 0.00 -0.63 -4.80 107.32 96.08 1upm s GLY 237 Ca 0.19 -0.88 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 1upm s GLY 237 CO 0.09 -0.97 -0.03 -1.58 0.00 0.00 0.00 173.10 170.61 1upm s HIS 238 N -2.46 0.89 -0.65 1.90 2.46 -1.26 -2.36 115.29 113.81 1upm s HIS 238 Ca -0.05 -0.31 -0.27 0.00 0.47 0.00 0.00 55.06 54.89 1upm s HIS 238 Cb -0.03 -0.87 0.00 0.00 -0.13 0.00 0.00 32.58 31.56 1upm s HIS 238 CO -0.04 -0.33 1.59 0.71 -2.47 0.00 0.00 174.74 174.20 1upm s TYR 239 N 1.58 1.97 0.04 3.88 2.02 -0.48 -4.75 117.35 121.61 1upm s TYR 239 Ca -0.00 0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.83 1upm s TYR 239 Cb -0.13 -4.33 -0.05 0.00 -0.40 0.00 0.00 41.96 37.06 1upm s TYR 239 CO -0.04 -2.20 1.09 -0.51 -1.57 0.00 0.00 175.55 172.32 1upm s LEU 240 N 7.44 4.38 -0.16 -1.29 1.43 -1.21 -1.92 118.68 127.35 1upm s LEU 240 Ca 0.54 1.85 -0.21 0.00 -1.03 0.00 0.00 54.13 55.28 1upm s LEU 240 Cb -0.11 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1upm s LEU 240 CO 0.19 -0.35 0.61 0.21 0.23 0.00 0.00 176.35 177.23 1upm s ASN 241 N 0.97 6.74 0.00 2.29 3.04 -1.26 -1.00 114.94 125.71 1upm s ASN 241 Ca 0.55 0.89 0.20 0.00 0.04 0.00 0.00 52.86 54.54 1upm s ASN 241 Cb -0.25 -2.34 0.11 0.00 -1.54 0.00 0.00 41.25 37.22 1upm s ASN 241 CO 0.29 -0.18 1.09 0.00 -3.04 0.00 0.00 177.10 175.25 1upm n ALA 242 N 4.51 2.72 -1.68 1.71 0.00 -0.57 -4.93 120.51 122.27 1upm n ALA 242 Ca -0.03 -0.64 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 1upm n ALA 242 Cb 0.50 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 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 0.79 1.92 -3.84 0.00 -1.04 -1.26 -4.31 114.28 106.54 1upm n THR 243 Ca 0.11 -0.48 -0.04 0.00 -2.04 0.00 0.00 64.05 61.59 1upm n THR 243 Cb 0.47 -1.49 0.01 0.00 -1.82 0.00 0.00 70.33 67.51 1upm n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upm s ALA 244 N -1.01 -1.46 0.24 2.41 0.00 -1.26 -4.82 121.76 115.87 1upm s ALA 244 Ca 0.57 -0.29 0.14 0.00 0.00 0.00 0.00 51.96 52.38 1upm s ALA 244 Cb -0.59 0.72 0.55 0.00 0.00 0.00 0.00 23.12 23.80 1upm s ALA 244 CO 0.61 -1.05 1.70 0.78 0.00 0.00 0.00 175.76 177.80 1upm h GLY 245 N 2.00 0.00 -3.28 0.00 0.00 -1.96 -3.47 103.07 96.37 1upm h GLY 245 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.82 1upm h GLY 245 CO 0.34 0.00 -0.70 -0.51 0.00 0.00 0.00 176.54 175.67 1upm s THR 246 N -3.69 0.68 0.24 4.70 -4.23 -1.26 -5.05 115.64 107.03 1upm s THR 246 Ca -0.01 -1.81 -0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1upm s THR 246 Cb 0.12 -1.53 0.21 0.00 1.34 0.00 0.00 72.50 72.65 1upm s THR 246 CO 0.72 -0.80 1.85 0.00 -0.54 0.00 0.00 174.62 175.86 1upm h GLU 248 N 0.98 0.49 -0.52 0.00 3.07 -1.99 0.04 114.58 116.65 1upm h GLU 248 Ca 0.37 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.09 1upm h GLU 248 Cb 0.15 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1upm h GLU 248 CO -0.17 0.32 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.22 1upm h ASP 249 N 0.50 1.00 -0.18 1.42 5.19 -1.89 -1.06 116.42 121.41 1upm h ASP 249 Ca 0.32 -0.35 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1upm h ASP 249 Cb 0.36 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1upm h ASP 249 CO -0.28 1.12 0.11 -0.03 -3.12 0.00 0.00 179.24 177.04 1upm h MET 250 N 0.86 0.24 -0.70 3.56 4.05 -1.00 -2.85 114.93 119.10 1upm h MET 250 Ca 0.13 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1upm h MET 250 Cb 0.67 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 1upm h MET 250 CO 0.05 0.19 0.40 0.52 0.23 0.00 0.00 176.91 178.30 1upm h MET 251 N 0.22 0.96 -0.74 0.39 2.86 -0.79 -2.02 114.93 115.80 1upm h MET 251 Ca 0.06 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 57.74 1upm h MET 251 Cb 0.01 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.42 1upm h MET 251 CO -0.01 0.70 0.49 0.87 1.06 0.00 0.00 176.91 180.02 1upm h LYS 252 N 0.95 0.46 0.16 1.72 1.57 -0.98 0.40 116.57 120.86 1upm h LYS 252 Ca 0.25 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.70 1upm h LYS 252 Cb -0.00 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.23 1upm h LYS 252 CO -0.04 0.31 -1.31 0.00 -0.57 0.00 0.00 179.45 177.84 1upm h ARG 253 N 0.48 0.52 -0.74 3.15 3.08 -1.21 -2.76 114.38 116.90 1upm h ARG 253 Ca 0.36 -0.77 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 1upm h ARG 253 Cb 0.73 0.27 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1upm h ARG 253 CO -0.12 1.35 0.37 0.00 -1.07 0.00 0.00 179.97 180.50 1upm h ALA 254 N 0.33 0.95 -0.77 0.04 0.00 -0.82 -2.26 119.26 116.73 1upm h ALA 254 Ca -0.19 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1upm h ALA 254 Cb 1.99 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1upm h ALA 254 CO 0.24 0.50 0.46 0.28 0.00 0.00 0.00 179.25 180.73 1upm h VAL 255 N 1.03 0.99 -0.13 0.00 2.07 -0.96 -1.79 116.25 117.45 1upm h VAL 255 Ca 0.26 -0.28 -0.18 0.00 0.82 0.00 0.00 66.70 67.31 1upm h VAL 255 Cb 0.10 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1upm h VAL 255 CO -0.03 0.15 -0.66 0.15 0.02 0.00 0.00 177.57 177.20 1upm h PHE 256 N 0.82 0.68 -0.86 1.57 3.57 -1.22 -1.76 116.94 119.75 1upm h PHE 256 Ca 0.35 -0.28 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1upm h PHE 256 Cb 0.21 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 1upm h PHE 256 CO -0.06 1.03 0.56 0.00 -2.23 0.00 0.00 178.31 177.62 1upm h ALA 257 N 0.90 1.11 -0.00 2.41 0.00 -1.09 -1.10 119.26 121.49 1upm h ALA 257 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1upm h ALA 257 Cb 1.23 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1upm h ALA 257 CO 0.12 0.45 -0.24 -0.09 0.00 0.00 0.00 179.25 179.48 1upm h ARG 258 N 1.12 -0.37 -0.99 0.00 1.12 -0.93 -2.15 114.38 112.19 1upm h ARG 258 Ca 0.33 0.02 0.21 0.00 -1.11 0.00 0.00 59.98 59.43 1upm h ARG 258 Cb -0.07 0.08 -0.10 0.00 -0.01 0.00 0.00 29.97 29.88 1upm h ARG 258 CO -0.09 -0.24 0.62 1.49 -3.11 0.00 0.00 179.97 178.63 1upm h GLU 259 N -0.38 0.60 0.00 0.20 4.81 -0.85 0.30 114.58 119.27 1upm h GLU 259 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1upm h GLU 259 Cb 0.46 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1upm h GLU 259 CO -0.22 0.40 0.00 1.28 -0.73 0.00 0.00 179.01 179.74 1upm n LEU 260 N -4.70 0.41 -0.25 1.64 4.77 -0.46 -4.93 117.00 113.48 1upm n LEU 260 Ca 0.23 0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 56.72 1upm n LEU 260 Cb 0.66 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1upm n LEU 260 CO 0.23 -0.12 -0.03 0.61 -1.33 0.00 0.00 177.39 176.75 1upm n GLY 261 N 1.29 0.58 3.90 -0.72 0.00 0.10 -5.03 105.19 105.31 1upm n GLY 261 Ca 0.06 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.12 4.86 -0.30 1.61 -7.23 -1.21 -5.03 120.40 110.97 1upm s VAL 262 Ca 0.00 0.29 0.22 0.00 -1.81 0.00 0.00 61.98 60.68 1upm s VAL 262 Cb 0.00 -3.86 0.13 0.00 0.56 0.00 0.00 36.38 33.21 1upm s VAL 262 CO 0.00 -0.89 1.29 1.55 -0.31 0.00 0.00 175.10 176.74 1upm h PRO 263 N 0.14 0.00 -2.52 4.82 0.13 -1.92 -3.46 132.00 129.20 1upm h PRO 263 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1upm h PRO 263 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 1upm h PRO 263 CO 0.62 0.07 -0.18 -1.50 -0.23 0.00 0.00 178.00 176.78 1upm s ILE 264 N -3.23 -0.01 0.53 -3.56 2.07 -1.26 -1.13 121.20 114.61 1upm s ILE 264 Ca 0.03 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1upm s ILE 264 Cb 0.07 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.97 1upm s ILE 264 CO 0.74 0.01 0.06 0.68 -1.91 0.00 0.00 174.94 174.52 1upm s VAL 265 N 0.84 1.13 0.05 4.00 -7.23 -0.53 -3.34 120.40 115.32 1upm s VAL 265 Ca -0.05 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1upm s VAL 265 Cb -0.05 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1upm s VAL 265 CO -0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.68 1upm s MET 266 N -3.95 0.53 -0.03 4.82 0.23 -0.17 -1.31 119.30 119.41 1upm s MET 266 Ca 0.06 -0.98 -0.05 0.00 -1.03 0.00 0.00 55.69 53.69 1upm s MET 266 Cb 0.00 0.06 0.01 0.00 -1.53 0.00 0.00 34.83 33.37 1upm s MET 266 CO 0.04 -0.06 0.13 -1.58 -2.03 0.00 0.00 175.02 171.52 1upm s HIS 267 N -2.75 -0.06 -0.75 3.16 5.04 -0.62 -1.51 115.29 117.79 1upm s HIS 267 Ca -0.02 0.14 -0.18 0.00 -1.54 0.00 0.00 55.06 53.45 1upm s HIS 267 Cb -0.01 0.00 0.13 0.00 0.04 0.00 0.00 32.58 32.74 1upm s HIS 267 CO -0.05 -0.16 0.88 -0.51 -2.34 0.00 0.00 174.74 172.57 1upm s ASP 268 N -0.54 6.43 0.29 9.88 1.01 -1.26 -1.50 116.67 130.98 1upm s ASP 268 Ca -0.06 -1.80 0.13 0.00 0.71 0.00 0.00 52.55 51.52 1upm s ASP 268 Cb -0.04 -2.33 0.40 0.00 1.01 0.00 0.00 42.92 41.96 1upm s ASP 268 CO 0.01 -1.04 1.62 0.10 0.21 0.00 0.00 175.17 176.06 1upm h TYR 269 N 8.87 0.00 0.19 4.23 -0.00 -1.86 0.15 116.97 128.54 1upm h TYR 269 Ca -0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.32 1upm h TYR 269 Cb 1.06 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.80 1upm h TYR 269 CO 0.99 0.57 -1.58 -0.07 -0.00 0.00 0.00 178.16 178.07 1upm h LEU 270 N 0.00 0.62 0.12 0.10 3.38 -1.80 0.20 115.31 117.93 1upm h LEU 270 Ca -0.01 -0.79 -0.29 0.00 0.09 0.00 0.00 57.88 56.88 1upm h LEU 270 Cb 1.10 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.67 1upm h LEU 270 CO 0.07 1.65 -1.28 0.71 0.09 0.00 0.00 178.44 179.69 1upm h THR 271 N 0.11 1.39 -0.01 0.22 1.35 -1.69 -3.20 112.91 111.07 1upm h THR 271 Ca -0.28 -2.80 -0.00 0.00 -0.55 0.00 0.00 66.41 62.78 1upm h THR 271 Cb 2.09 2.87 -0.00 0.00 -1.73 0.00 0.00 68.15 71.38 1upm h THR 271 CO 0.21 0.83 -0.01 1.23 -0.25 0.00 0.00 175.52 177.53 1upm h GLY 272 N 0.95 0.03 0.00 5.82 0.00 -0.88 -3.50 103.07 105.49 1upm h GLY 272 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1upm h GLY 272 CO 0.23 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1upm n GLY 273 N 0.01 2.09 0.15 4.60 0.00 0.71 -4.67 105.19 108.09 1upm n GLY 273 Ca -0.08 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 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 0.95 0.06 1.61 0.04 -1.89 -0.57 116.94 117.14 1upm h PHE 274 Ca 0.00 -0.65 0.02 0.00 2.80 0.00 0.00 57.97 60.14 1upm h PHE 274 Cb 0.00 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 1upm h PHE 274 CO 0.00 1.50 -0.25 1.15 -0.60 0.00 0.00 178.31 180.11 1upm h THR 275 N 0.19 0.44 -0.69 -1.55 2.02 -1.93 -1.18 112.91 110.20 1upm h THR 275 Ca -0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1upm h THR 275 Cb 2.05 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 1upm h THR 275 CO 0.25 0.00 0.42 0.00 0.37 0.00 0.00 175.52 176.56 1upm h ALA 276 N 0.37 0.88 -0.22 6.16 0.00 -1.82 -3.00 119.26 121.62 1upm h ALA 276 Ca 0.05 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1upm h ALA 276 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1upm h ALA 276 CO -0.18 0.36 -0.29 -0.97 0.00 0.00 0.00 179.25 178.16 1upm h ASN 277 N 0.94 0.45 -0.06 0.00 -0.73 -0.84 -2.27 115.58 113.07 1upm h ASN 277 Ca 0.25 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1upm h ASN 277 Cb -0.03 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.43 1upm h ASN 277 CO -0.05 0.72 0.01 0.74 -0.37 0.00 0.00 177.43 178.49 1upm h THR 278 N 0.39 1.21 -0.81 -3.57 2.02 -1.17 -1.06 112.91 109.92 1upm h THR 278 Ca 0.05 -0.66 0.15 0.00 0.77 0.00 0.00 66.41 66.72 1upm h THR 278 Cb 0.71 1.54 -0.15 0.00 -1.74 0.00 0.00 68.15 68.51 1upm h THR 278 CO 0.05 0.18 -0.28 0.74 0.37 0.00 0.00 175.52 176.58 1upm h THR 279 N -0.15 0.13 -0.04 3.16 2.02 -1.42 -0.70 112.91 115.91 1upm h THR 279 Ca 0.02 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.01 1upm h THR 279 Cb 0.28 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1upm h THR 279 CO 0.00 0.00 -0.78 0.25 0.37 0.00 0.00 175.52 175.36 1upm h LEU 280 N -0.04 0.38 -0.52 2.58 5.85 -1.18 -2.23 115.31 120.14 1upm h LEU 280 Ca 0.34 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1upm h LEU 280 Cb 0.59 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1upm h LEU 280 CO -0.84 1.02 0.32 -1.28 -0.34 0.00 0.00 178.44 177.33 1upm h SER 281 N 0.20 0.53 -0.72 1.25 0.87 -0.42 0.39 113.55 115.65 1upm h SER 281 Ca -0.04 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1upm h SER 281 Cb 1.37 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 1upm h SER 281 CO 0.13 0.38 0.24 0.45 -0.53 0.00 0.00 176.83 177.50 1upm h HIS 282 N 0.65 1.15 -0.69 2.24 3.86 -0.91 -2.24 115.15 119.21 1upm h HIS 282 Ca 0.21 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1upm h HIS 282 Cb -0.00 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 1upm h HIS 282 CO -0.06 0.91 0.28 -0.92 0.86 0.00 0.00 177.93 179.00 1upm h TYR 283 N 1.06 1.05 -0.33 2.45 3.20 -1.30 -1.39 116.97 121.71 1upm h TYR 283 Ca 0.24 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.88 1upm h TYR 283 Cb 0.29 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1upm h TYR 283 CO 0.02 0.82 -0.36 0.00 -1.64 0.00 0.00 178.16 176.99 1upm h ARG 285 N 0.63 0.44 0.00 0.00 9.65 -1.28 -1.11 114.38 122.72 1upm h ARG 285 Ca 0.06 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1upm h ARG 285 Cb 0.91 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1upm h ARG 285 CO 0.08 0.29 -0.01 -0.44 2.80 0.00 0.00 179.97 182.69 1upm h ASP 286 N 0.46 0.00 0.00 -3.80 3.32 -0.97 -3.15 116.42 112.28 1upm h ASP 286 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1upm h ASP 286 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1upm h ASP 286 CO -0.09 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.04 1upm n ASN 287 N -3.25 1.42 -0.68 6.45 3.02 -0.74 -5.01 115.26 116.47 1upm n ASN 287 Ca -0.02 -1.66 -0.09 0.00 -0.03 0.00 0.00 54.58 52.79 1upm n ASN 287 Cb 0.13 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.33 0.97 3.77 7.41 0.00 -0.50 -5.01 105.19 111.50 1upm n GLY 288 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.99 4.32 0.39 0.99 1.43 -0.75 -4.96 118.68 118.11 1upm s LEU 289 Ca 0.00 0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 53.51 1upm s LEU 289 Cb 0.00 -2.45 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 1upm s LEU 289 CO 0.00 0.17 1.21 -0.76 0.23 0.00 0.00 176.35 177.20 1upm s LEU 290 N -0.03 4.24 -0.33 1.79 1.43 -0.28 -4.59 118.68 120.91 1upm s LEU 290 Ca 0.20 2.45 0.04 0.00 -1.03 0.00 0.00 54.13 55.78 1upm s LEU 290 Cb -0.14 -3.94 0.09 0.00 0.03 0.00 0.00 46.19 42.23 1upm s LEU 290 CO 0.07 -0.68 0.02 -0.22 0.23 0.00 0.00 176.35 175.77 1upm s LEU 291 N -2.37 4.53 -0.10 1.79 2.96 -1.26 -1.45 118.68 122.78 1upm s LEU 291 Ca 0.56 -2.03 -0.30 0.00 -0.22 0.00 0.00 54.13 52.14 1upm s LEU 291 Cb -0.33 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1upm s LEU 291 CO 0.42 -0.35 1.08 -2.28 -1.32 0.00 0.00 176.35 173.91 1upm s HIS 292 N 0.94 3.37 -0.14 5.38 5.65 -0.43 -0.24 115.29 129.83 1upm s HIS 292 Ca 0.08 1.44 -0.03 0.00 0.25 0.00 0.00 55.06 56.80 1upm s HIS 292 Cb -0.19 -3.28 -0.03 0.00 -1.18 0.00 0.00 32.58 27.90 1upm s HIS 292 CO -0.08 -0.65 -0.04 0.42 -0.65 0.00 0.00 174.74 173.74 1upm s ILE 293 N 2.24 3.87 -0.10 0.89 -1.09 -0.42 -1.59 121.20 124.99 1upm s ILE 293 Ca 0.51 -0.37 -0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1upm s ILE 293 Cb -0.20 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 1upm s ILE 293 CO 0.18 0.52 0.03 -2.28 -1.23 0.00 0.00 174.94 172.16 1upm s HIS 294 N 0.10 3.25 -0.41 3.97 5.65 -0.56 -3.10 115.29 124.19 1upm s HIS 294 Ca -0.01 0.24 0.05 0.00 0.25 0.00 0.00 55.06 55.60 1upm s HIS 294 Cb -0.14 -1.84 0.65 0.00 -1.18 0.00 0.00 32.58 30.08 1upm s HIS 294 CO 0.03 0.49 1.84 2.89 -0.65 0.00 0.00 174.74 179.34 1upm n ARG 295 N 2.23 2.36 -1.50 2.88 1.85 -1.26 -2.85 116.66 120.37 1upm n ARG 295 Ca -0.19 -3.05 -0.47 0.00 -1.00 0.00 0.00 57.85 53.15 1upm n ARG 295 Cb 0.54 -2.13 -0.03 0.00 -1.05 0.00 0.00 32.46 29.79 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 -1.03 -1.60 0.00 2.89 0.00 -1.26 -1.09 120.51 118.41 1upm n ALA 296 Ca 0.54 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1upm n ALA 296 Cb 1.55 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 0.99 0.00 -0.33 0.00 0.00 -1.26 -4.30 117.12 112.21 1upm n MET 297 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.82 1upm n MET 297 Cb 0.27 -1.02 0.09 0.00 0.00 0.00 0.00 33.22 32.57 1upm n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1upm h HIS 298 N 0.00 1.13 0.00 1.12 -0.00 -1.54 -2.28 115.15 113.58 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 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 27.03 1upm h HIS 298 CO 0.00 0.70 0.00 0.00 -0.00 0.00 0.00 177.93 178.63 1upm h ALA 299 N 1.34 1.00 -0.89 6.11 0.00 -1.92 0.27 119.26 125.17 1upm h ALA 299 Ca 0.33 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.36 1upm h ALA 299 Cb -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1upm h ALA 299 CO -0.08 0.00 0.57 0.28 0.00 0.00 0.00 179.25 180.02 1upm h VAL 300 N 0.00 0.91 0.03 0.00 2.07 -1.83 -3.08 116.25 114.36 1upm h VAL 300 Ca 0.00 -0.27 -0.38 0.00 0.82 0.00 0.00 66.70 66.86 1upm h VAL 300 Cb 0.34 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1upm h VAL 300 CO 0.00 0.15 -2.25 -0.38 0.02 0.00 0.00 177.57 175.10 1upm n ILE 301 N -4.55 1.58 0.31 4.57 5.41 0.78 -4.71 119.36 122.75 1upm n ILE 301 Ca 0.16 -0.51 0.09 0.00 1.00 0.00 0.00 62.75 63.49 1upm n ILE 301 Cb 0.38 -1.65 0.14 0.00 -0.71 0.00 0.00 39.64 37.80 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 -3.62 2.85 -0.02 4.38 5.68 -0.13 -2.37 116.55 123.32 1upm n ASP 302 Ca -0.43 -1.83 -0.16 0.00 -0.50 0.00 0.00 54.79 51.87 1upm n ASP 302 Cb 0.96 -0.15 -0.10 0.00 -1.14 0.00 0.00 41.12 40.69 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 3.29 0.35 -6.36 0.11 9.65 -1.78 -3.43 114.38 116.20 1upm h ARG 303 Ca 0.00 -0.32 -0.55 0.00 -1.10 0.00 0.00 59.98 58.01 1upm h ARG 303 Cb 0.78 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.40 1upm h ARG 303 CO 0.00 0.99 -0.05 -0.65 2.80 0.00 0.00 179.97 183.06 1upm s GLN 304 N -3.41 4.04 0.23 0.20 -1.52 -1.26 -4.39 119.66 113.55 1upm s GLN 304 Ca -0.14 0.57 0.12 0.00 -1.95 0.00 0.00 55.36 53.96 1upm s GLN 304 Cb 0.03 -2.95 0.09 0.00 -0.22 0.00 0.00 33.01 29.97 1upm s GLN 304 CO 0.79 0.48 1.45 -0.22 -0.25 0.00 0.00 175.29 177.53 1upm h LYS 305 N 3.62 0.00 0.00 2.91 3.64 -1.89 -3.29 116.57 121.55 1upm h LYS 305 Ca -0.49 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.82 1upm h LYS 305 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1upm h LYS 305 CO 0.65 0.69 -0.43 -2.95 -2.27 0.00 0.00 179.45 175.14 1upm h ASN 306 N 0.00 0.00 -3.63 4.20 -1.07 -1.94 -3.46 115.58 109.67 1upm h ASN 306 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.27 1upm h ASN 306 Cb 1.42 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.43 1upm h ASN 306 CO 0.09 0.34 -0.16 -2.28 0.07 0.00 0.00 177.43 175.49 1upm s HIS 307 N -3.04 -0.61 -0.09 4.14 5.04 -1.24 -3.30 115.29 116.19 1upm s HIS 307 Ca 0.04 1.40 0.00 0.00 -1.54 0.00 0.00 55.06 54.96 1upm s HIS 307 Cb 0.07 0.25 0.00 0.00 0.04 0.00 0.00 32.58 32.94 1upm s HIS 307 CO 0.73 -0.31 0.00 0.41 -2.34 0.00 0.00 174.74 173.23 1upm n GLY 308 N 3.36 0.11 2.80 1.59 0.00 -0.03 -4.47 105.19 108.55 1upm n GLY 308 Ca -0.17 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.12 0.05 0.73 1.61 -1.94 -1.00 -0.66 119.30 117.97 1upm s MET 309 Ca 0.00 0.13 -0.11 0.00 -1.71 0.00 0.00 55.69 54.00 1upm s MET 309 Cb 0.00 -0.27 0.03 0.00 2.01 0.00 0.00 34.83 36.60 1upm s MET 309 CO 0.00 -0.13 1.07 -1.58 -0.01 0.00 0.00 175.02 174.37 1upm s HIS 310 N 0.88 2.89 0.43 -0.03 2.46 -0.08 -3.63 115.29 118.21 1upm s HIS 310 Ca -0.08 1.46 0.15 0.00 0.47 0.00 0.00 55.06 57.06 1upm s HIS 310 Cb -0.11 -2.95 0.99 0.00 -0.13 0.00 0.00 32.58 30.38 1upm s HIS 310 CO -0.02 -1.48 1.97 0.35 -2.47 0.00 0.00 174.74 173.09 1upm h PHE 311 N -0.90 0.00 -0.44 3.88 3.57 -1.92 -1.85 116.94 119.28 1upm h PHE 311 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1upm h PHE 311 Cb 1.22 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1upm h PHE 311 CO 0.60 0.21 0.29 0.07 -2.23 0.00 0.00 178.31 177.24 1upm h ARG 312 N 0.00 0.58 -0.26 1.11 0.11 -1.91 0.33 114.38 114.33 1upm h ARG 312 Ca -0.00 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.96 1upm h ARG 312 Cb 0.37 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 1upm h ARG 312 CO 0.03 0.39 -0.15 0.28 0.10 0.00 0.00 179.97 180.61 1upm h VAL 313 N 0.60 1.30 -0.26 0.08 2.07 -1.60 -2.06 116.25 116.40 1upm h VAL 313 Ca 0.16 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1upm h VAL 313 Cb -0.07 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1upm h VAL 313 CO -0.03 0.40 -0.14 -0.07 0.02 0.00 0.00 177.57 177.74 1upm h LEU 314 N 0.30 0.41 -0.37 2.57 3.38 -1.33 -1.24 115.31 119.03 1upm h LEU 314 Ca 0.05 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1upm h LEU 314 Cb 0.68 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1upm h LEU 314 CO 0.04 0.58 -0.30 0.00 0.09 0.00 0.00 178.44 178.86 1upm h ALA 315 N 1.46 0.54 -0.54 1.53 0.00 -0.38 -2.63 119.26 119.24 1upm h ALA 315 Ca 0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1upm h ALA 315 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1upm h ALA 315 CO 0.03 0.57 0.23 0.87 0.00 0.00 0.00 179.25 180.95 1upm h LYS 316 N 0.66 0.80 -0.54 0.00 1.57 -0.97 -2.02 116.57 116.06 1upm h LYS 316 Ca 0.07 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1upm h LYS 316 Cb 0.88 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1upm h LYS 316 CO 0.08 0.69 0.32 0.00 -0.57 0.00 0.00 179.45 179.96 1upm h ALA 317 N 1.07 0.69 -0.80 3.86 0.00 -1.24 -2.19 119.26 120.65 1upm h ALA 317 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1upm h ALA 317 Cb 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1upm h ALA 317 CO -0.02 0.18 0.53 1.25 0.00 0.00 0.00 179.25 181.19 1upm h LEU 318 N 0.73 0.91 -1.35 0.00 7.12 -1.36 -1.27 115.31 120.09 1upm h LEU 318 Ca 0.19 -0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.22 1upm h LEU 318 Cb 0.00 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 39.87 1upm h LEU 318 CO -0.03 0.66 0.47 -0.09 -0.13 0.00 0.00 178.44 179.31 1upm h ARG 319 N 1.07 0.81 0.26 1.25 2.43 -0.78 0.25 114.38 119.68 1upm h ARG 319 Ca 0.29 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1upm h ARG 319 Cb -0.12 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 1upm h ARG 319 CO -0.07 0.54 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.74 1upm h LEU 320 N 0.84 -0.29 -0.13 3.80 3.38 -0.96 -3.30 115.31 118.64 1upm h LEU 320 Ca 0.29 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1upm h LEU 320 Cb 0.10 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1upm h LEU 320 CO -0.09 0.20 -0.19 -1.28 0.09 0.00 0.00 178.44 177.18 1upm h SER 321 N -0.96 -0.58 0.00 -0.43 0.87 -1.17 -1.94 113.55 109.34 1upm h SER 321 Ca -0.04 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1upm h SER 321 Cb 0.48 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1upm h SER 321 CO 0.06 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 176.73 1upm n GLY 322 N -1.33 4.22 3.59 5.77 0.00 0.87 -4.41 105.19 113.91 1upm n GLY 322 Ca -0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.23 -0.01 -0.02 0.00 -1.25 -4.80 107.32 101.01 1upm s GLY 323 Ca 0.00 2.13 0.14 0.00 0.00 0.00 0.00 44.72 46.98 1upm s GLY 323 CO 0.00 1.06 0.72 -0.55 0.00 0.00 0.00 173.10 174.33 1upm h ASP 324 N 2.54 0.00 -4.16 1.64 3.32 -0.99 -3.40 116.42 115.36 1upm h ASP 324 Ca -0.17 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.26 1upm h ASP 324 Cb 1.16 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.48 1upm h ASP 324 CO 0.30 0.88 -0.85 -1.00 -1.72 0.00 0.00 179.24 176.85 1upm s HIS 325 N -2.69 1.98 -0.02 4.55 3.76 -1.08 -1.62 115.29 120.18 1upm s HIS 325 Ca -0.04 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.41 1upm s HIS 325 Cb 0.08 -1.12 0.01 0.00 1.11 0.00 0.00 32.58 32.66 1upm s HIS 325 CO 0.82 0.19 0.14 -1.50 -0.85 0.00 0.00 174.74 173.54 1upm s ILE 326 N -0.99 0.06 0.21 0.60 2.07 -0.78 -1.31 121.20 121.05 1upm s ILE 326 Ca 0.09 -0.46 -0.30 0.00 -1.41 0.00 0.00 60.65 58.57 1upm s ILE 326 Cb -0.10 -0.36 -0.08 0.00 0.13 0.00 0.00 42.46 42.05 1upm s ILE 326 CO 0.04 -0.25 1.21 -1.00 -1.91 0.00 0.00 174.94 173.02 1upm s HIS 327 N -0.89 3.40 -0.06 3.50 3.76 -1.18 -0.46 115.29 123.36 1upm s HIS 327 Ca -0.10 1.42 0.01 0.00 -0.15 0.00 0.00 55.06 56.25 1upm s HIS 327 Cb -0.05 -3.45 -0.01 0.00 1.11 0.00 0.00 32.58 30.17 1upm s HIS 327 CO 0.01 -1.26 0.07 -1.13 -0.85 0.00 0.00 174.74 171.57 1upm n SER 328 N 2.28 0.08 0.00 1.40 3.41 -0.49 -4.79 113.62 115.52 1upm n SER 328 Ca 0.04 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1upm n SER 328 Cb 0.44 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 1upm n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upm n GLY 329 N 1.01 1.26 0.00 5.00 0.00 -1.25 -4.91 105.19 106.30 1upm n GLY 329 Ca 0.00 -2.02 0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 1.61 0.00 0.00 2.61 -2.24 -1.26 -4.35 114.28 110.65 1upm n THR 330 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1upm n THR 330 Cb 0.00 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.47 0.00 1.23 2.28 0.31 -1.25 -4.45 118.33 114.98 1upm n VAL 331 Ca -0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.46 1upm n VAL 331 Cb 0.08 0.00 0.55 0.00 -0.91 0.00 0.00 33.84 33.56 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 -1.25 2.52 0.24 -1.26 -4.57 118.33 114.00 1upm n VAL 332 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1upm n VAL 332 Cb 0.00 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 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 1.37 1.86 0.01 7.63 0.00 -1.26 -4.20 105.19 110.60 1upm n GLY 333 Ca 0.11 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.33 1upm n GLY 333 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1upm n LYS 334 N 0.00 0.03 -4.35 1.61 2.85 -0.44 -4.76 118.16 113.11 1upm n LYS 334 Ca 0.00 0.02 -0.26 0.00 -1.05 0.00 0.00 58.31 57.01 1upm n LYS 334 Cb 0.00 -1.53 -0.10 0.00 -0.65 0.00 0.00 35.03 32.75 1upm n LYS 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1upm s LEU 335 N -3.14 2.77 0.40 -5.58 1.43 -1.26 -5.04 118.68 108.25 1upm s LEU 335 Ca 0.13 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.26 1upm s LEU 335 Cb 0.18 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.86 1upm s LEU 335 CO 0.59 0.10 1.24 -0.70 0.23 0.00 0.00 176.35 177.80 1upm s GLU 336 N -2.84 4.02 -0.30 1.70 2.12 -1.26 -4.66 118.70 117.47 1upm s GLU 336 Ca 0.24 2.00 -0.19 0.00 0.36 0.00 0.00 54.97 57.38 1upm s GLU 336 Cb -0.08 -2.73 0.18 0.00 0.26 0.00 0.00 34.13 31.76 1upm s GLU 336 CO 0.13 -0.40 1.29 0.20 -0.54 0.00 0.00 175.26 175.94 1upm s GLY 337 N -0.93 0.13 0.18 -1.50 0.00 -1.26 -4.86 107.32 99.08 1upm s GLY 337 Ca 0.57 3.44 -0.30 0.00 0.00 0.00 0.00 44.72 48.43 1upm s GLY 337 CO 0.44 3.77 1.07 -0.54 0.00 0.00 0.00 173.10 177.84 1upm s GLU 338 N 2.59 4.62 0.17 2.90 0.41 -1.26 -3.95 118.70 124.18 1upm s GLU 338 Ca -0.07 1.68 -0.24 0.00 -0.41 0.00 0.00 54.97 55.93 1upm s GLU 338 Cb -0.05 -3.28 0.05 0.00 -1.78 0.00 0.00 34.13 29.07 1upm s GLU 338 CO -0.10 0.13 1.58 -0.09 -0.49 0.00 0.00 175.26 176.28 1upm h ARG 339 N 5.03 -0.24 -0.25 1.61 2.43 -1.98 -1.52 114.38 119.47 1upm h ARG 339 Ca -0.44 0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 58.55 1upm h ARG 339 Cb 1.21 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1upm h ARG 339 CO 0.72 -0.16 -0.58 -0.44 -1.51 0.00 0.00 179.97 177.99 1upm h ASP 340 N -0.25 0.94 -0.70 -3.80 3.32 -1.93 -1.27 116.42 112.75 1upm h ASP 340 Ca 0.18 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1upm h ASP 340 Cb 0.56 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1upm h ASP 340 CO -0.63 1.33 0.44 0.40 -1.72 0.00 0.00 179.24 179.06 1upm h ILE 341 N 0.60 1.19 -0.20 0.35 2.04 -1.72 -2.14 117.51 117.63 1upm h ILE 341 Ca -0.00 -0.38 -0.15 0.00 1.00 0.00 0.00 64.86 65.33 1upm h ILE 341 Cb 1.20 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1upm h ILE 341 CO 0.13 0.19 -0.45 0.74 0.00 0.00 0.00 178.15 178.75 1upm h THR 342 N 0.96 1.32 -0.83 -0.27 2.02 -0.97 -2.62 112.91 112.51 1upm h THR 342 Ca 0.25 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 1upm h THR 342 Cb -0.07 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1upm h THR 342 CO -0.05 0.53 0.47 -0.07 0.37 0.00 0.00 175.52 176.77 1upm h LEU 343 N 0.35 1.01 -0.12 2.58 3.38 -1.10 -0.01 115.31 121.41 1upm h LEU 343 Ca 0.00 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1upm h LEU 343 Cb 1.06 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 1upm h LEU 343 CO 0.10 0.80 -0.39 1.23 0.09 0.00 0.00 178.44 180.26 1upm h GLY 344 N 1.17 -0.64 1.61 0.83 0.00 -1.23 -2.02 103.07 102.79 1upm h GLY 344 Ca 0.29 0.49 -0.03 0.00 0.00 0.00 0.00 47.33 48.07 1upm h GLY 344 CO -0.05 -0.23 -0.51 0.27 0.00 0.00 0.00 176.54 176.02 1upm h PHE 345 N -0.48 0.00 0.07 5.60 -5.15 -1.03 -2.21 116.94 113.75 1upm h PHE 345 Ca 0.08 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.85 1upm h PHE 345 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.78 1upm h PHE 345 CO -0.46 0.14 -0.04 0.28 -2.00 0.00 0.00 178.31 176.24 1upm h VAL 346 N 0.00 0.94 -0.63 0.88 2.07 -0.99 -1.60 116.25 116.92 1upm h VAL 346 Ca -0.02 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.57 1upm h VAL 346 Cb 1.12 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 1upm h VAL 346 CO 0.02 0.01 0.21 0.44 0.02 0.00 0.00 177.57 178.27 1upm h ASP 347 N -0.12 0.18 0.06 0.57 5.19 -1.17 -1.14 116.42 119.98 1upm h ASP 347 Ca -0.01 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1upm h ASP 347 Cb 0.09 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 1upm h ASP 347 CO 0.02 0.10 -0.01 -0.07 -3.12 0.00 0.00 179.24 176.15 1upm h LEU 348 N 0.38 0.00 0.06 1.55 3.38 -1.06 -2.06 115.31 117.55 1upm h LEU 348 Ca 0.33 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.97 1upm h LEU 348 Cb 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1upm h LEU 348 CO -0.35 0.01 -1.88 0.18 0.09 0.00 0.00 178.44 176.50 1upm n LEU 349 N -3.50 1.72 -0.03 1.67 4.32 -0.55 -4.62 117.00 116.02 1upm n LEU 349 Ca -0.03 0.30 0.04 0.00 -0.02 0.00 0.00 56.01 56.30 1upm n LEU 349 Cb 0.10 -0.45 -0.16 0.00 -1.62 0.00 0.00 43.42 41.29 1upm n LEU 349 CO 0.25 0.62 -0.82 0.54 -1.22 0.00 0.00 177.39 176.75 1upm n ARG 350 N -3.25 0.66 -3.86 3.23 1.74 -0.54 -1.08 116.66 113.56 1upm n ARG 350 Ca -0.25 -0.11 -0.21 0.00 -0.77 0.00 0.00 57.85 56.51 1upm n ARG 350 Cb 1.05 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.90 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 -4.90 5.18 0.25 0.55 1.01 -0.79 -4.52 116.67 113.45 1upm s ASP 351 Ca -0.08 -0.55 0.24 0.00 0.71 0.00 0.00 52.55 52.87 1upm s ASP 351 Cb 0.11 -0.92 0.39 0.00 1.01 0.00 0.00 42.92 43.52 1upm s ASP 351 CO 0.88 -0.35 1.46 -0.78 0.21 0.00 0.00 175.17 176.59 1upm h ASP 352 N 1.30 0.00 -3.02 0.27 3.58 -1.91 -3.45 116.42 113.19 1upm h ASP 352 Ca -0.44 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 56.91 1upm h ASP 352 Cb 1.25 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 42.07 1upm h ASP 352 CO 0.59 0.03 -0.13 -0.47 -2.88 0.00 0.00 179.24 176.38 1upm s TYR 353 N -3.20 -0.88 -0.07 0.28 5.04 -1.26 -1.03 117.35 116.23 1upm s TYR 353 Ca 0.06 1.78 -0.01 0.00 -2.44 0.00 0.00 57.07 56.46 1upm s TYR 353 Cb 0.10 0.48 0.03 0.00 0.35 0.00 0.00 41.96 42.92 1upm s TYR 353 CO 0.69 -0.46 0.00 0.99 -1.34 0.00 0.00 175.55 175.43 1upm s THR 354 N 1.64 0.35 0.34 4.34 2.01 -0.35 -5.02 115.64 118.95 1upm s THR 354 Ca -0.09 0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.78 1upm s THR 354 Cb -0.07 -0.51 -0.09 0.00 0.01 0.00 0.00 72.50 71.84 1upm s THR 354 CO -0.17 0.25 1.06 -0.70 -0.69 0.00 0.00 174.62 174.38 1upm s GLU 355 N 1.97 4.42 0.02 4.92 2.12 -1.26 -0.83 118.70 130.06 1upm s GLU 355 Ca 0.05 1.64 -0.34 0.00 0.36 0.00 0.00 54.97 56.68 1upm s GLU 355 Cb -0.12 -2.88 -0.17 0.00 0.26 0.00 0.00 34.13 31.22 1upm s GLU 355 CO -0.05 0.06 0.89 1.17 -0.54 0.00 0.00 175.26 176.79 1upm n LYS 356 N 0.59 0.00 -3.17 4.30 4.81 -1.25 -4.77 118.16 118.68 1upm n LYS 356 Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.42 1upm n LYS 356 Cb 0.47 -1.27 -0.02 0.00 0.02 0.00 0.00 35.03 34.23 1upm n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1upm s ASP 357 N -0.09 -0.98 0.57 3.14 2.15 -0.11 -4.95 116.67 116.41 1upm s ASP 357 Ca 0.77 -1.14 0.29 0.00 0.43 0.00 0.00 52.55 52.90 1upm s ASP 357 Cb -1.08 1.65 1.71 0.00 -0.30 0.00 0.00 42.92 44.90 1upm s ASP 357 CO 0.50 -0.16 2.20 0.03 -0.17 0.00 0.00 175.17 177.56 1upm h ARG 358 N 6.63 0.00 0.00 4.34 2.47 -1.92 0.24 114.38 126.15 1upm h ARG 358 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1upm h ARG 358 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1upm h ARG 358 CO 0.11 0.04 0.00 0.66 0.56 0.00 0.00 179.97 181.34 1upm h SER 359 N 0.00 0.00 -0.34 7.04 4.64 -1.96 -1.68 113.55 121.25 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 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1upm h SER 359 CO 0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 1upm n ARG 360 N -3.00 3.11 -1.00 4.77 1.74 0.02 -4.76 116.66 117.53 1upm n ARG 360 Ca 0.00 -2.65 -0.00 0.00 -0.77 0.00 0.00 57.85 54.43 1upm n ARG 360 Cb 0.27 -1.72 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.01 0.47 3.44 -0.13 0.00 -0.63 -4.45 105.19 103.87 1upm n GLY 361 Ca 0.19 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 4.46 -0.04 -0.61 1.01 -0.87 -4.91 121.20 118.29 1upm s ILE 362 Ca 0.00 -0.46 0.24 0.00 0.00 0.00 0.00 60.65 60.42 1upm s ILE 362 Cb 0.00 -4.62 0.25 0.00 0.01 0.00 0.00 42.46 38.10 1upm s ILE 362 CO 0.00 -1.34 1.74 1.88 0.00 0.00 0.00 174.94 177.22 1upm h TYR 363 N 9.45 0.00 -3.91 3.97 -1.99 -1.93 -0.24 116.97 122.31 1upm h TYR 363 Ca -0.29 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.17 1upm h TYR 363 Cb 1.08 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 39.56 1upm h TYR 363 CO 0.93 0.20 -0.73 -0.06 -0.00 0.00 0.00 178.16 178.49 1upm s PHE 364 N -3.43 0.44 0.11 4.88 0.08 -1.26 -4.91 117.98 113.88 1upm s PHE 364 Ca 0.03 -0.29 -0.31 0.00 0.12 0.00 0.00 56.93 56.48 1upm s PHE 364 Cb 0.08 -0.27 -0.08 0.00 -0.57 0.00 0.00 43.02 42.18 1upm s PHE 364 CO 0.65 -0.06 1.46 0.99 -0.10 0.00 0.00 175.22 178.16 1upm s THR 365 N -0.74 3.17 -0.09 0.64 2.01 -1.26 -3.90 115.64 115.46 1upm s THR 365 Ca -0.05 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.76 1upm s THR 365 Cb -0.06 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.96 1upm s THR 365 CO -0.00 0.05 -0.14 -1.58 -0.69 0.00 0.00 174.62 172.26 1upm s GLN 366 N 1.43 2.02 0.01 4.92 2.00 -0.01 -4.89 119.66 125.16 1upm s GLN 366 Ca 0.67 -0.50 0.03 0.00 -2.00 0.00 0.00 55.36 53.56 1upm s GLN 366 Cb -0.38 -1.71 -0.04 0.00 0.80 0.00 0.00 33.01 31.69 1upm s GLN 366 CO 0.30 -0.03 -0.04 -1.12 -0.50 0.00 0.00 175.29 173.90 1upm s SER 367 N 0.87 4.79 0.00 6.67 0.01 -1.26 -1.21 113.70 123.57 1upm s SER 367 Ca -0.10 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.10 1upm s SER 367 Cb -0.15 -1.15 0.11 0.00 0.21 0.00 0.00 66.02 65.04 1upm s SER 367 CO 0.01 0.27 0.94 0.79 0.41 0.00 0.00 173.24 175.65 1upm n TRP 368 N 1.38 0.14 -3.92 2.43 7.02 -0.20 -4.70 117.44 119.59 1upm n TRP 368 Ca -0.15 -0.28 -0.29 0.00 -1.02 0.00 0.00 57.50 55.77 1upm n TRP 368 Cb 0.52 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 29.36 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 0.17 -1.27 -1.02 -0.99 0.24 -1.26 -0.34 118.33 113.86 1upm n VAL 369 Ca 0.05 -0.40 -0.01 0.00 -2.04 0.00 0.00 64.34 61.94 1upm n VAL 369 Cb 0.26 -1.14 -0.00 0.00 -1.47 0.00 0.00 33.84 31.48 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 -1.75 -5.36 -4.56 -1.34 7.64 -1.26 -4.99 113.62 102.01 1upm n SER 370 Ca -0.17 0.02 -0.60 0.00 1.01 0.00 0.00 58.87 59.13 1upm n SER 370 Cb 0.47 -2.91 -0.08 0.00 -1.01 0.00 0.00 64.21 60.68 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 -2.22 0.01 -1.41 0.44 -1.04 0.54 -4.89 114.28 105.71 1upm n THR 371 Ca -0.01 -0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1upm n THR 371 Cb 0.40 -0.21 0.07 0.00 -1.82 0.00 0.00 70.33 68.77 1upm n THR 371 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1upm n PRO 372 N 2.16 0.54 -3.32 -2.82 -0.02 -1.26 -4.91 135.00 125.37 1upm n PRO 372 Ca 0.22 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 1upm n PRO 372 Cb 0.07 -2.05 -0.06 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 -1.46 2.33 -0.09 -1.23 0.00 -1.26 -4.64 107.32 100.97 1upm s GLY 373 Ca 0.72 -0.15 -0.12 0.00 0.00 0.00 0.00 44.72 45.17 1upm s GLY 373 CO 0.52 0.04 0.28 0.14 0.00 0.00 0.00 173.10 174.07 1upm s VAL 374 N -1.80 5.27 -0.23 1.40 1.01 -0.24 -1.75 120.40 124.06 1upm s VAL 374 Ca 0.48 0.54 -0.28 0.00 0.00 0.00 0.00 61.98 62.71 1upm s VAL 374 Cb -0.12 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1upm s VAL 374 CO 0.20 0.53 1.01 -0.22 0.00 0.00 0.00 175.10 176.62 1upm s LEU 375 N -0.55 4.09 0.12 3.92 2.96 -0.64 -4.23 118.68 124.36 1upm s LEU 375 Ca 0.18 1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 55.12 1upm s LEU 375 Cb -0.14 -3.49 -0.07 0.00 0.50 0.00 0.00 46.19 42.99 1upm s LEU 375 CO 0.07 -0.65 1.13 -2.16 -1.32 0.00 0.00 176.35 173.41 1upm s PRO 376 N 3.16 4.53 -0.20 0.98 0.04 -1.26 -1.88 135.00 140.38 1upm s PRO 376 Ca 0.43 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 1upm s PRO 376 Cb -0.15 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 1upm s PRO 376 CO 0.06 -0.05 -0.04 0.08 0.04 0.00 0.00 177.00 177.09 1upm s VAL 377 N 0.30 3.51 -0.29 -0.36 1.01 0.40 -0.92 120.40 124.04 1upm s VAL 377 Ca 0.53 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1upm s VAL 377 Cb -0.29 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1upm s VAL 377 CO 0.33 0.44 0.19 0.00 0.00 0.00 0.00 175.10 176.06 1upm s ALA 378 N 1.17 3.50 -0.04 5.51 0.00 0.14 -1.40 121.76 130.64 1upm s ALA 378 Ca 0.02 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 1upm s ALA 378 Cb -0.14 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.51 1upm s ALA 378 CO -0.01 -0.66 0.39 0.45 0.00 0.00 0.00 175.76 175.94 1upm s SER 379 N 1.74 -0.31 0.00 0.00 0.15 -1.26 -1.01 113.70 113.01 1upm s SER 379 Ca 0.07 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1upm s SER 379 Cb -0.16 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1upm s SER 379 CO 0.10 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1upm n GLY 380 N 1.37 1.54 1.73 9.45 0.00 -1.26 -4.60 105.19 113.42 1upm n GLY 380 Ca -0.20 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.04 0.58 3.76 -0.02 0.00 -1.26 -1.32 105.19 106.97 1upm n GLY 381 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 3.95 0.30 -0.61 -4.36 -1.26 -4.29 121.20 112.93 1upm s ILE 382 Ca 0.00 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 58.74 1upm s ILE 382 Cb 0.00 -3.17 0.02 0.00 1.25 0.00 0.00 42.46 40.57 1upm s ILE 382 CO 0.00 -0.34 0.49 0.00 0.24 0.00 0.00 174.94 175.33 1upm n HIS 383 N -1.09 -1.59 -0.34 1.37 1.44 -1.26 -4.40 115.22 109.35 1upm n HIS 383 Ca -0.07 -1.76 0.12 0.00 -2.01 0.00 0.00 57.72 54.00 1upm n HIS 383 Cb 0.59 0.56 0.31 0.00 0.12 0.00 0.00 29.99 31.57 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 1.82 0.69 0.00 0.61 -1.51 -1.92 -0.15 116.25 115.79 1upm h VAL 384 Ca -0.24 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 64.96 1upm h VAL 384 Cb 0.98 -0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.05 1upm h VAL 384 CO 0.32 0.13 -0.11 -0.50 -1.23 0.00 0.00 177.57 176.17 1upm h TRP 385 N 0.71 0.00 0.00 5.19 4.06 -1.94 -1.65 115.95 122.32 1upm h TRP 385 Ca 0.56 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.51 1upm h TRP 385 Cb 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1upm h TRP 385 CO -0.03 0.11 0.00 0.72 -3.56 0.00 0.00 178.44 175.68 1upm n HIS 386 N -3.39 0.00 -0.04 0.49 8.25 -0.07 -4.41 115.22 116.05 1upm n HIS 386 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1upm n HIS 386 Cb 0.29 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 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 0.23 -0.14 -0.41 -1.53 -1.37 -1.75 114.93 109.95 1upm h MET 387 Ca 0.00 -0.04 0.05 0.00 -3.44 0.00 0.00 59.70 56.26 1upm h MET 387 Cb 0.16 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.12 1upm h MET 387 CO 0.00 0.32 -0.18 -1.35 0.14 0.00 0.00 176.91 175.83 1upm h PRO 388 N 0.09 -0.22 -0.64 0.39 0.11 -1.81 -0.46 132.00 129.46 1upm h PRO 388 Ca 0.05 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.21 1upm h PRO 388 Cb 0.18 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.29 1upm h PRO 388 CO -0.00 -0.15 0.38 0.00 -0.21 0.00 0.00 178.00 178.02 1upm h ALA 389 N 0.80 0.84 -0.25 -0.75 0.00 -1.75 -1.26 119.26 116.88 1upm h ALA 389 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1upm h ALA 389 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1upm h ALA 389 CO -0.27 0.11 0.12 -0.07 0.00 0.00 0.00 179.25 179.13 1upm h LEU 390 N 0.74 0.18 -0.89 0.00 3.38 -0.87 0.72 115.31 118.56 1upm h LEU 390 Ca 0.27 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1upm h LEU 390 Cb 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1upm h LEU 390 CO -0.13 0.14 0.38 0.74 0.09 0.00 0.00 178.44 179.66 1upm h THR 391 N 0.26 1.26 -0.45 0.22 2.02 -0.91 -1.31 112.91 113.99 1upm h THR 391 Ca 0.10 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 1upm h THR 391 Cb 0.03 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1upm h THR 391 CO -0.08 0.31 -0.02 -0.08 0.37 0.00 0.00 175.52 176.02 1upm h GLU 392 N 1.17 0.81 -0.04 6.66 4.22 -1.09 -1.68 114.58 124.64 1upm h GLU 392 Ca 0.28 -0.27 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1upm h GLU 392 Cb 0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1upm h GLU 392 CO -0.03 0.88 -0.04 0.82 -2.18 0.00 0.00 179.01 178.46 1upm h ILE 393 N 0.65 1.39 0.00 2.32 2.04 -0.49 -3.38 117.51 120.05 1upm h ILE 393 Ca 0.12 -1.23 -0.32 0.00 1.00 0.00 0.00 64.86 64.44 1upm h ILE 393 Cb 0.53 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 1upm h ILE 393 CO 0.03 0.33 -1.96 0.49 0.00 0.00 0.00 178.15 177.04 1upm n PHE 394 N -4.77 0.64 -4.44 1.37 3.72 -0.53 -5.04 117.46 108.42 1upm n PHE 394 Ca -0.08 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1upm n PHE 394 Cb 0.29 -1.12 0.00 0.00 -0.94 0.00 0.00 39.48 37.71 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 1.64 -1.24 0.36 1.37 0.00 -0.63 -4.32 105.19 102.36 1upm n GLY 395 Ca -0.23 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 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 1.03 -1.11 1.61 3.32 -1.89 -3.33 116.42 116.04 1upm h ASP 396 Ca 0.00 -0.07 -0.73 0.00 0.02 0.00 0.00 57.03 56.25 1upm h ASP 396 Cb 0.00 -0.26 -0.12 0.00 0.22 0.00 0.00 39.33 39.17 1upm h ASP 396 CO 0.00 0.80 2.21 0.47 -1.72 0.00 0.00 179.24 181.00 1upm n ASP 397 N -4.36 4.79 -3.95 6.45 8.00 -1.26 -2.86 116.55 123.36 1upm n ASP 397 Ca 0.09 -3.00 -0.09 0.00 0.71 0.00 0.00 54.79 52.50 1upm n ASP 397 Cb 0.07 -1.57 -0.05 0.00 -0.02 0.00 0.00 41.12 39.56 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 2.14 -0.14 -0.12 -2.24 1.04 -1.25 -4.25 113.70 108.88 1upm s SER 398 Ca 0.43 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1upm s SER 398 Cb 0.08 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 1upm s SER 398 CO -0.01 -1.16 -0.15 -0.69 0.98 0.00 0.00 173.24 172.21 1upm s VAL 399 N -3.98 2.91 -0.27 5.02 1.01 -0.09 -1.06 120.40 123.93 1upm s VAL 399 Ca 0.19 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1upm s VAL 399 Cb -0.02 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1upm s VAL 399 CO 0.07 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 175.04 1upm s LEU 400 N 0.30 3.68 -0.14 3.92 1.43 0.83 0.23 118.68 128.94 1upm s LEU 400 Ca -0.11 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1upm s LEU 400 Cb -0.16 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1upm s LEU 400 CO 0.06 -0.10 -0.08 -1.10 0.23 0.00 0.00 176.35 175.35 1upm s GLN 401 N 1.59 3.48 -0.46 1.70 -0.21 -0.18 -1.38 119.66 124.21 1upm s GLN 401 Ca 0.05 -0.60 0.03 0.00 0.02 0.00 0.00 55.36 54.87 1upm s GLN 401 Cb -0.16 -2.76 0.12 0.00 1.00 0.00 0.00 33.01 31.21 1upm s GLN 401 CO 0.04 0.26 0.21 -0.06 -2.12 0.00 0.00 175.29 173.62 1upm s PHE 402 N 0.27 2.96 0.00 0.91 0.08 -0.36 -4.27 117.98 117.56 1upm s PHE 402 Ca -0.06 -2.92 0.00 0.00 0.12 0.00 0.00 56.93 54.07 1upm s PHE 402 Cb -0.15 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 1upm s PHE 402 CO 0.04 -0.79 0.06 0.41 -0.10 0.00 0.00 175.22 174.83 1upm n GLY 403 N 3.48 1.11 0.36 4.36 0.00 -1.26 -2.96 105.19 110.28 1upm n GLY 403 Ca 0.05 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.41 1upm n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1upm h GLY 404 N 0.00 2.04 1.68 -0.02 0.00 -1.94 0.14 103.07 104.97 1upm h GLY 404 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1upm h GLY 404 CO 0.00 -0.72 0.00 0.61 0.00 0.00 0.00 176.54 176.43 1upm n GLY 405 N -1.33 -1.02 0.68 4.60 0.00 -1.26 -0.25 105.19 106.62 1upm n GLY 405 Ca 0.38 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.34 0.40 1.36 2.61 -1.04 -0.04 -4.64 114.28 111.58 1upm n THR 406 Ca 0.09 -0.11 0.14 0.00 -2.04 0.00 0.00 64.05 62.13 1upm n THR 406 Cb 0.18 -1.49 0.59 0.00 -1.82 0.00 0.00 70.33 67.79 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 -3.25 0.45 -0.84 -4.42 4.32 0.27 -2.30 117.00 111.23 1upm n LEU 407 Ca -0.14 0.04 0.12 0.00 -0.02 0.00 0.00 56.01 56.00 1upm n LEU 407 Cb 0.61 -0.20 0.29 0.00 -1.62 0.00 0.00 43.42 42.49 1upm n LEU 407 CO 0.02 0.08 0.74 0.61 -1.22 0.00 0.00 177.39 177.62 1upm n GLY 408 N 1.30 0.91 3.77 -0.72 0.00 0.66 -4.94 105.19 106.17 1upm n GLY 408 Ca 0.14 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.72 3.04 0.53 1.61 5.04 -0.97 -4.92 115.29 117.89 1upm s HIS 409 Ca 0.35 1.50 0.21 0.00 -1.54 0.00 0.00 55.06 55.58 1upm s HIS 409 Cb 0.20 -3.51 1.43 0.00 0.04 0.00 0.00 32.58 30.74 1upm s HIS 409 CO 0.29 -1.56 2.17 -1.00 -2.34 0.00 0.00 174.74 172.30 1upm h PRO 410 N 2.87 0.00 -0.61 2.88 0.13 -1.91 -2.46 132.00 132.90 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1upm h PRO 410 CO 0.63 0.02 0.00 0.91 -0.23 0.00 0.00 178.00 179.33 1upm n TRP 411 N -4.27 0.81 -0.17 1.56 8.01 -1.26 -5.09 117.44 117.03 1upm n TRP 411 Ca -0.03 -0.41 0.00 0.00 -1.31 0.00 0.00 57.50 55.76 1upm n TRP 411 Cb 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 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 1.62 -3.44 0.30 6.99 0.00 -0.93 -4.67 105.19 105.05 1upm n GLY 412 Ca 0.23 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 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 1.03 0.19 1.61 2.35 -1.87 -1.21 115.58 117.68 1upm h ASN 413 Ca 0.00 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1upm h ASN 413 Cb 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1upm h ASN 413 CO 0.00 1.11 -0.09 0.00 -1.65 0.00 0.00 177.43 176.80 1upm h ALA 414 N 0.96 -0.26 -0.77 -0.83 0.00 -1.85 -0.74 119.26 115.77 1upm h ALA 414 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1upm h ALA 414 Cb 0.61 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1upm h ALA 414 CO 0.04 -0.54 0.46 -1.35 0.00 0.00 0.00 179.25 177.86 1upm h PRO 415 N -0.46 1.04 -0.69 0.00 0.11 -1.83 0.17 132.00 130.35 1upm h PRO 415 Ca -0.03 -0.09 0.05 0.00 0.11 0.00 0.00 66.00 66.04 1upm h PRO 415 Cb 0.35 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.19 1upm h PRO 415 CO 0.04 0.73 0.40 0.78 -0.21 0.00 0.00 178.00 179.74 1upm h GLY 416 N 1.08 1.01 0.78 -0.55 0.00 -0.99 -0.81 103.07 103.58 1upm h GLY 416 Ca 0.28 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1upm h GLY 416 CO -0.05 0.20 -0.17 0.00 0.00 0.00 0.00 176.54 176.52 1upm h ALA 417 N 1.34 0.25 -0.79 3.60 0.00 -0.18 -2.63 119.26 120.84 1upm h ALA 417 Ca 0.30 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1upm h ALA 417 Cb 0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1upm h ALA 417 CO -0.16 0.15 0.38 0.28 0.00 0.00 0.00 179.25 179.91 1upm h VAL 418 N 0.07 0.74 0.08 0.00 2.07 -0.58 -0.06 116.25 118.57 1upm h VAL 418 Ca 0.03 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1upm h VAL 418 Cb 0.70 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1upm h VAL 418 CO 0.04 0.10 -0.09 0.00 0.02 0.00 0.00 177.57 177.65 1upm h ALA 419 N 1.52 -0.16 -0.75 1.67 0.00 -1.01 0.15 119.26 120.68 1upm h ALA 419 Ca 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1upm h ALA 419 Cb 0.58 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1upm h ALA 419 CO -0.35 -0.60 0.40 -0.91 0.00 0.00 0.00 179.25 177.79 1upm h ASN 420 N -0.19 0.94 -0.22 0.00 -0.26 -1.09 -0.23 115.58 114.52 1upm h ASN 420 Ca 0.01 -0.08 -0.09 0.00 -0.56 0.00 0.00 56.30 55.58 1upm h ASN 420 Cb 0.19 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1upm h ASN 420 CO -0.03 0.76 -0.19 -0.09 -1.06 0.00 0.00 177.43 176.82 1upm h ARG 421 N 1.05 0.53 -0.72 0.81 9.65 -0.62 -1.67 114.38 123.41 1upm h ARG 421 Ca 0.27 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1upm h ARG 421 Cb 0.04 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 1upm h ARG 421 CO -0.04 0.84 0.35 0.28 2.80 0.00 0.00 179.97 184.20 1upm h VAL 422 N 0.22 1.24 -0.34 0.20 2.07 -0.63 -1.20 116.25 117.81 1upm h VAL 422 Ca 0.04 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1upm h VAL 422 Cb 0.73 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1upm h VAL 422 CO 0.05 0.28 0.18 0.00 0.02 0.00 0.00 177.57 178.09 1upm h ALA 423 N 1.17 0.43 -0.39 1.67 0.00 -0.94 -0.19 119.26 121.02 1upm h ALA 423 Ca 0.25 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1upm h ALA 423 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1upm h ALA 423 CO -0.03 -0.03 0.04 1.25 0.00 0.00 0.00 179.25 180.49 1upm h LEU 424 N 0.42 0.63 -0.91 0.00 5.85 -1.08 -1.75 115.31 118.47 1upm h LEU 424 Ca 0.12 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 1upm h LEU 424 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1upm h LEU 424 CO -0.02 0.75 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.25 1upm h GLU 425 N 0.49 0.51 -0.42 1.25 5.08 -1.08 -1.06 114.58 119.35 1upm h GLU 425 Ca 0.12 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1upm h GLU 425 Cb 0.40 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1upm h GLU 425 CO 0.01 0.72 0.23 0.00 -1.00 0.00 0.00 179.01 178.98 1upm h ALA 426 N 1.28 0.53 -0.97 3.43 0.00 -0.83 0.02 119.26 122.72 1upm h ALA 426 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1upm h ALA 426 Cb 0.68 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1upm h ALA 426 CO 0.05 -0.10 0.62 0.00 0.00 0.00 0.00 179.25 179.82 1upm h VAL 428 N 1.33 1.37 -0.34 0.00 2.07 -0.83 -0.90 116.25 118.95 1upm h VAL 428 Ca 0.35 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1upm h VAL 428 Cb -0.12 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1upm h VAL 428 CO -0.07 0.41 0.04 -0.61 0.02 0.00 0.00 177.57 177.35 1upm h GLN 429 N -0.08 0.14 -0.32 1.57 4.15 -0.95 -1.32 115.11 118.31 1upm h GLN 429 Ca 0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1upm h GLN 429 Cb 0.74 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1upm h GLN 429 CO 0.04 0.10 0.19 0.00 -1.93 0.00 0.00 178.83 177.22 1upm h ALA 430 N 1.27 0.41 -0.47 3.38 0.00 -1.31 -0.22 119.26 122.33 1upm h ALA 430 Ca 0.16 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1upm h ALA 430 Cb 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1upm h ALA 430 CO -0.24 -0.08 0.13 -0.09 0.00 0.00 0.00 179.25 178.97 1upm h ARG 431 N 0.40 0.28 -0.17 0.00 2.43 -1.01 -1.06 114.38 115.24 1upm h ARG 431 Ca 0.11 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1upm h ARG 431 Cb 0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1upm h ARG 431 CO -0.02 0.18 -0.26 -0.91 -1.51 0.00 0.00 179.97 177.45 1upm h ASN 432 N 0.28 0.32 0.13 -3.80 -0.26 -0.80 -1.54 115.58 109.91 1upm h ASN 432 Ca 0.23 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1upm h ASN 432 Cb 0.26 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1upm h ASN 432 CO -0.26 0.59 0.00 -0.62 -1.06 0.00 0.00 177.43 176.08 1upm n GLU 433 N -4.13 0.69 0.00 0.81 1.02 -0.13 -4.91 120.64 113.99 1upm n GLU 433 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1upm n GLU 433 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1upm n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1upm n GLY 434 N 0.69 0.52 3.80 0.62 0.00 -0.58 -5.07 105.19 105.17 1upm n GLY 434 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.76 3.33 -0.33 1.61 0.52 -0.45 -4.99 118.95 117.88 1upm s ARG 435 Ca 0.00 1.24 -0.17 0.00 -0.52 0.00 0.00 55.73 56.28 1upm s ARG 435 Cb 0.00 -2.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.43 1upm s ARG 435 CO 0.00 -0.80 0.46 0.34 0.02 0.00 0.00 175.30 175.32 1upm s ASP 436 N -2.69 6.28 0.19 0.23 -1.08 -1.26 -4.36 116.67 113.99 1upm s ASP 436 Ca 0.64 -0.01 -0.01 0.00 -0.52 0.00 0.00 52.55 52.65 1upm s ASP 436 Cb -0.16 -2.25 0.10 0.00 -1.46 0.00 0.00 42.92 39.15 1upm s ASP 436 CO 0.35 -0.40 1.47 -0.07 0.52 0.00 0.00 175.17 177.04 1upm h LEU 437 N 8.93 0.49 -0.61 -1.34 3.38 -1.93 0.27 115.31 124.50 1upm h LEU 437 Ca -0.29 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.38 1upm h LEU 437 Cb 1.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1upm h LEU 437 CO 0.74 1.02 0.37 0.00 0.09 0.00 0.00 178.44 180.66 1upm h ALA 438 N 0.98 0.78 0.04 1.53 0.00 -1.93 -2.34 119.26 118.32 1upm h ALA 438 Ca -0.02 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1upm h ALA 438 Cb 1.22 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1upm h ALA 438 CO 0.12 0.25 -1.81 0.54 0.00 0.00 0.00 179.25 178.34 1upm n ARG 439 N -4.62 0.67 -0.29 0.00 1.74 -1.06 -4.35 116.66 108.76 1upm n ARG 439 Ca 0.04 0.28 0.09 0.00 -0.77 0.00 0.00 57.85 57.49 1upm n ARG 439 Cb 0.05 -1.76 0.24 0.00 -1.02 0.00 0.00 32.46 29.97 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 -3.17 2.83 -0.16 5.56 1.02 0.94 -4.74 120.64 122.92 1upm n GLU 440 Ca -0.22 -2.38 -0.13 0.00 -0.02 0.00 0.00 57.16 54.41 1upm n GLU 440 Cb 1.05 -1.44 -0.09 0.00 -0.02 0.00 0.00 31.44 30.94 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 3.20 -1.06 1.73 0.62 0.00 -1.57 0.56 103.07 106.54 1upm h GLY 441 Ca 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 47.33 48.02 1upm h GLY 441 CO 0.01 -0.14 -0.09 3.43 0.00 0.00 0.00 176.54 179.75 1upm h ASN 442 N -0.33 0.32 -0.14 0.19 -0.26 -1.87 -1.15 115.58 112.35 1upm h ASN 442 Ca 0.08 -0.06 -0.12 0.00 -0.56 0.00 0.00 56.30 55.63 1upm h ASN 442 Cb 0.53 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 1upm h ASN 442 CO -0.60 0.45 -0.33 0.74 -1.06 0.00 0.00 177.43 176.63 1upm h THR 443 N 0.33 1.28 -0.11 2.81 2.02 -1.75 0.18 112.91 117.67 1upm h THR 443 Ca 0.07 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 1upm h THR 443 Cb 0.36 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1upm h THR 443 CO 0.02 0.47 -0.01 0.40 0.37 0.00 0.00 175.52 176.77 1upm h ILE 444 N 0.54 1.27 -0.35 3.11 2.04 0.26 -1.23 117.51 123.14 1upm h ILE 444 Ca 0.06 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.06 1upm h ILE 444 Cb 0.83 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1upm h ILE 444 CO 0.07 0.25 0.19 0.40 0.00 0.00 0.00 178.15 179.06 1upm h ILE 445 N -0.08 1.01 -0.78 -0.67 1.08 -1.28 -2.70 117.51 114.09 1upm h ILE 445 Ca 0.03 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1upm h ILE 445 Cb 0.39 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1upm h ILE 445 CO 0.01 0.07 0.50 -0.09 -0.69 0.00 0.00 178.15 177.95 1upm h ARG 446 N 0.39 0.96 -0.69 2.37 9.65 -0.90 -2.16 114.38 124.00 1upm h ARG 446 Ca 0.14 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 1upm h ARG 446 Cb 0.03 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 28.36 1upm h ARG 446 CO -0.09 0.64 0.45 0.93 2.80 0.00 0.00 179.97 184.70 1upm h GLU 447 N 0.99 0.88 -0.35 0.20 5.08 -1.11 -2.77 114.58 117.50 1upm h GLU 447 Ca 0.30 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1upm h GLU 447 Cb -0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1upm h GLU 447 CO -0.10 0.58 0.01 0.00 -1.00 0.00 0.00 179.01 178.50 1upm h ALA 448 N 1.27 1.36 0.00 3.43 0.00 -1.07 -2.69 119.26 121.56 1upm h ALA 448 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1upm h ALA 448 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1upm h ALA 448 CO -0.07 0.44 0.00 1.79 0.00 0.00 0.00 179.25 181.41 1upm h THR 449 N 0.52 0.00 0.00 0.00 1.35 -1.12 -1.58 112.91 112.08 1upm h THR 449 Ca 0.11 -0.05 -0.07 0.00 -0.55 0.00 0.00 66.41 65.85 1upm h THR 449 Cb 0.33 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 1upm h THR 449 CO 0.01 0.00 -0.34 0.11 -0.25 0.00 0.00 175.52 175.05 1upm h LYS 450 N 0.00 0.00 -0.00 4.72 1.79 -1.54 -3.31 116.57 118.23 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 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1upm h LYS 450 CO 0.00 0.34 -0.11 -2.67 -1.08 0.00 0.00 179.45 175.93 1upm n TRP 451 N -3.45 0.00 -3.99 -1.35 4.27 -0.76 -4.91 117.44 107.24 1upm n TRP 451 Ca 0.00 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.30 1upm n TRP 451 Cb 0.51 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.32 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 -0.99 4.73 0.37 -0.67 0.15 -0.67 -4.97 113.70 111.65 1upm s SER 452 Ca 0.03 -2.29 0.07 0.00 0.70 0.00 0.00 55.95 54.46 1upm s SER 452 Cb 0.03 -1.65 0.78 0.00 -1.71 0.00 0.00 66.02 63.48 1upm s SER 452 CO 0.12 -0.37 1.94 -0.65 1.20 0.00 0.00 173.24 175.49 1upm h PRO 453 N 7.46 0.69 -0.35 5.44 0.11 -1.89 -1.34 132.00 142.13 1upm h PRO 453 Ca -0.05 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1upm h PRO 453 Cb 1.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1upm h PRO 453 CO 0.56 0.46 -0.02 0.93 -0.21 0.00 0.00 178.00 179.72 1upm h GLU 454 N 0.71 0.63 -0.50 1.05 3.07 -1.93 -1.88 114.58 115.74 1upm h GLU 454 Ca 0.34 -0.21 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 1upm h GLU 454 Cb 0.38 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1upm h GLU 454 CO -0.12 0.76 -0.05 1.25 -1.40 0.00 0.00 179.01 179.46 1upm h LEU 455 N 0.44 0.90 -0.75 1.33 5.85 -1.71 -2.63 115.31 118.75 1upm h LEU 455 Ca 0.10 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.60 1upm h LEU 455 Cb 0.49 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 1upm h LEU 455 CO 0.02 1.02 0.37 0.00 -0.34 0.00 0.00 178.44 179.50 1upm h ALA 456 N 0.92 1.05 -0.36 1.25 0.00 -1.17 0.15 119.26 121.11 1upm h ALA 456 Ca 0.14 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1upm h ALA 456 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1upm h ALA 456 CO 0.03 -0.07 -0.16 0.00 0.00 0.00 0.00 179.25 179.05 1upm h ALA 457 N 1.47 1.05 -0.43 0.00 0.00 -1.24 -2.15 119.26 117.95 1upm h ALA 457 Ca 0.38 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1upm h ALA 457 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1upm h ALA 457 CO -0.30 0.58 -0.25 0.00 0.00 0.00 0.00 179.25 179.27 1upm h ALA 458 N 1.23 0.61 -0.60 0.00 0.00 -0.90 -2.92 119.26 116.68 1upm h ALA 458 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1upm h ALA 458 Cb 0.61 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1upm h ALA 458 CO 0.04 0.62 0.34 0.00 0.00 0.00 0.00 179.25 180.25 1upm h GLU 460 N 0.82 0.55 -0.55 0.00 5.08 -1.39 -1.17 114.58 117.92 1upm h GLU 460 Ca 0.21 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1upm h GLU 460 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1upm h GLU 460 CO -0.04 0.36 -0.10 0.28 -1.00 0.00 0.00 179.01 178.52 1upm h VAL 461 N 0.56 1.27 -0.21 3.13 2.07 -1.31 -3.30 116.25 118.46 1upm h VAL 461 Ca 0.25 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1upm h VAL 461 Cb 0.15 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1upm h VAL 461 CO -0.17 0.45 0.00 0.79 0.02 0.00 0.00 177.57 178.66 1upm n TRP 462 N -4.15 0.47 -0.16 1.57 8.01 -1.03 -4.72 117.44 117.43 1upm n TRP 462 Ca 0.02 -0.68 0.27 0.00 -1.31 0.00 0.00 57.50 55.79 1upm n TRP 462 Cb 0.40 -0.13 0.70 0.00 -2.01 0.00 0.00 31.31 30.27 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 1.34 0.03 -0.02 -0.99 2.10 -1.30 -1.72 116.57 116.01 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 0.94 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1upm h LYS 463 CO 0.07 0.02 -0.05 0.39 -2.00 0.00 0.00 179.45 177.88 1upm n GLU 464 N -4.30 1.81 -3.26 0.07 -0.58 -1.26 -4.97 120.64 108.15 1upm n GLU 464 Ca 0.18 -1.28 -0.39 0.00 -0.42 0.00 0.00 57.16 55.25 1upm n GLU 464 Cb 0.90 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 30.24 1upm n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1upm s ILE 465 N -2.07 5.13 -0.00 -3.67 -1.09 -0.65 -5.03 121.20 113.82 1upm s ILE 465 Ca 0.32 0.98 -0.10 0.00 -2.23 0.00 0.00 60.65 59.62 1upm s ILE 465 Cb 0.20 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1upm s ILE 465 CO 0.35 0.23 0.20 -0.54 -1.23 0.00 0.00 174.94 173.95 1upm s LYS 466 N 1.23 0.55 -0.32 2.79 1.02 -1.26 -5.04 119.74 118.71 1upm s LYS 466 Ca 0.25 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.95 1upm s LYS 466 Cb -0.15 0.24 0.09 0.00 -0.52 0.00 0.00 37.83 37.48 1upm s LYS 466 CO 0.10 -0.14 0.04 -0.06 -0.92 0.00 0.00 175.35 174.37 1upm s PHE 467 N -1.36 3.23 -0.23 3.18 0.40 -1.26 -5.08 117.98 116.85 1upm s PHE 467 Ca -0.14 -2.61 -0.02 0.00 -0.60 0.00 0.00 56.93 53.56 1upm s PHE 467 Cb -0.07 -2.51 0.07 0.00 0.51 0.00 0.00 43.02 41.03 1upm s PHE 467 CO 0.03 -0.92 0.04 -1.21 0.70 0.00 0.00 175.22 173.86 1upm s GLU 468 N 1.09 0.83 0.05 0.44 2.02 -1.26 -4.77 118.70 117.11 1upm s GLU 468 Ca 0.08 -0.69 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 1upm s GLU 468 Cb -0.19 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 1upm s GLU 468 CO -0.11 -0.73 -0.00 -0.06 0.02 0.00 0.00 175.26 174.38 1upm s PHE 469 N 1.72 0.47 0.26 1.61 0.40 -1.26 -5.13 117.98 116.04 1upm s PHE 469 Ca 0.01 -0.99 -0.30 0.00 -0.60 0.00 0.00 56.93 55.05 1upm s PHE 469 Cb -0.17 -0.34 -0.10 0.00 0.51 0.00 0.00 43.02 42.91 1upm s PHE 469 CO -0.12 -0.39 1.38 -1.25 0.70 0.00 0.00 175.22 175.54 1upm s PRO 470 N -3.81 4.31 0.31 0.24 0.04 -1.26 -5.00 135.00 129.84 1upm s PRO 470 Ca 0.06 2.24 -0.20 0.00 0.04 0.00 0.00 61.00 63.13 1upm s PRO 470 Cb 0.07 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 1upm s PRO 470 CO -0.10 -0.33 0.82 0.00 0.04 0.00 0.00 177.00 177.43 1upm s ALA 471 N -0.26 3.27 -0.17 8.56 0.00 -1.26 -4.98 121.76 126.91 1upm s ALA 471 Ca 0.56 0.26 0.20 0.00 0.00 0.00 0.00 51.96 52.99 1upm s ALA 471 Cb -0.40 -2.96 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 1upm s ALA 471 CO 0.45 0.25 0.85 -1.33 0.00 0.00 0.00 175.76 175.98 1upm n MET 472 N 0.13 0.62 -3.89 0.00 2.81 -1.26 -4.78 117.12 110.76 1upm n MET 472 Ca 0.02 0.10 -0.33 0.00 -1.81 0.00 0.00 57.70 55.69 1upm n MET 472 Cb 0.52 -1.77 -0.13 0.00 -0.71 0.00 0.00 33.22 31.13 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 -5.38 4.84 0.23 7.83 2.15 -1.26 -4.42 116.67 120.66 1upm s ASP 473 Ca -0.03 -2.51 0.11 0.00 0.43 0.00 0.00 52.55 50.55 1upm s ASP 473 Cb 0.10 -1.72 -0.05 0.00 -0.30 0.00 0.00 42.92 40.95 1upm s ASP 473 CO 0.82 -0.37 -0.21 0.42 -0.17 0.00 0.00 175.17 175.66 1upm s THR 474 N 0.43 2.30 -1.44 1.71 -4.23 -1.26 -4.66 115.64 108.48 1upm s THR 474 Ca 0.13 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1upm s THR 474 Cb -0.22 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1upm s THR 474 CO -0.04 -0.31 0.36 0.52 -0.54 0.00 0.00 174.62 174.62