#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 -5.10 -4.87 0.00 3.41 -1.26 -5.05 113.62 100.76 1upm n SER 10 Ca 0.00 1.45 -0.29 0.00 -0.26 0.00 0.00 58.87 59.77 1upm n SER 10 Cb 0.00 -3.69 -0.05 0.00 -0.26 0.00 0.00 64.21 60.21 1upm n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1upm s VAL 11 N -0.36 5.00 0.56 -3.33 0.11 -1.26 -5.09 120.40 116.03 1upm s VAL 11 Ca -0.04 -0.67 -0.19 0.00 -2.93 0.00 0.00 61.98 58.16 1upm s VAL 11 Cb 0.00 -3.48 -0.08 0.00 -1.53 0.00 0.00 36.38 31.29 1upm s VAL 11 CO 0.10 0.05 0.64 1.21 -3.33 0.00 0.00 175.10 173.77 1upm n GLU 12 N 0.05 0.64 -2.24 1.54 2.13 -1.26 -4.92 120.64 116.57 1upm n GLU 12 Ca -0.07 0.25 -0.42 0.00 0.66 0.00 0.00 57.16 57.57 1upm n GLU 12 Cb 0.52 -1.80 -0.03 0.00 0.27 0.00 0.00 31.44 30.41 1upm n GLU 12 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1upm s PHE 13 N -1.64 2.91 -0.30 4.31 5.36 -1.26 -5.01 117.98 122.35 1upm s PHE 13 Ca 0.70 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 57.55 1upm s PHE 13 Cb -0.46 -3.64 0.07 0.00 -0.34 0.00 0.00 43.02 38.66 1upm s PHE 13 CO 0.53 -2.33 -0.03 0.21 -1.46 0.00 0.00 175.22 172.14 1upm s LYS 14 N 2.29 2.01 0.21 10.12 2.47 -1.26 -5.10 119.74 130.47 1upm s LYS 14 Ca 0.63 -1.54 -0.31 0.00 -1.56 0.00 0.00 55.97 53.20 1upm s LYS 14 Cb -0.31 -3.07 -0.10 0.00 -1.46 0.00 0.00 37.83 32.89 1upm s LYS 14 CO 0.26 -0.72 1.48 0.00 0.16 0.00 0.00 175.35 176.53 1upm s ALA 15 N 1.06 3.68 0.00 3.13 0.00 -1.26 -4.77 121.76 123.59 1upm s ALA 15 Ca -0.01 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1upm s ALA 15 Cb -0.20 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1upm s ALA 15 CO -0.05 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1upm n GLY 16 N 2.87 1.39 3.91 0.00 0.00 -1.26 -4.99 105.19 107.11 1upm n GLY 16 Ca 0.10 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.45 5.14 0.22 1.61 0.11 -1.26 -2.27 120.40 122.50 1upm s VAL 17 Ca 0.00 -0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.79 1upm s VAL 17 Cb 0.00 -3.70 0.01 0.00 -1.53 0.00 0.00 36.38 31.16 1upm s VAL 17 CO 0.00 -0.15 0.49 -1.59 -3.33 0.00 0.00 175.10 170.52 1upm s LYS 18 N -3.18 1.46 0.44 1.54 -2.85 -1.26 -5.00 119.74 110.88 1upm s LYS 18 Ca 0.41 -1.10 -0.24 0.00 -1.00 0.00 0.00 55.97 54.04 1upm s LYS 18 Cb -0.11 0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 1upm s LYS 18 CO 0.28 -0.61 1.21 -0.51 0.10 0.00 0.00 175.35 175.81 1upm s ASP 19 N -2.96 6.23 0.35 0.03 1.01 -1.26 -4.94 116.67 115.14 1upm s ASP 19 Ca 0.16 2.42 0.05 0.00 0.71 0.00 0.00 52.55 55.89 1upm s ASP 19 Cb -0.01 -2.62 0.70 0.00 1.01 0.00 0.00 42.92 42.01 1upm s ASP 19 CO 0.04 -0.88 1.97 1.88 0.21 0.00 0.00 175.17 178.38 1upm h TYR 20 N 2.30 0.80 0.00 4.23 0.05 -1.93 -2.92 116.97 119.49 1upm h TYR 20 Ca -0.49 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 1upm h TYR 20 Cb 1.25 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.72 1upm h TYR 20 CO 0.53 0.44 -0.06 1.57 -1.05 0.00 0.00 178.16 179.59 1upm h LYS 21 N 0.80 0.00 -0.54 4.88 2.10 -1.86 0.24 116.57 122.20 1upm h LYS 21 Ca 0.30 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 59.02 1upm h LYS 21 Cb 0.18 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.48 1upm h LYS 21 CO -0.10 0.06 0.36 -0.07 -2.00 0.00 0.00 179.45 177.70 1upm h LEU 22 N 0.00 0.40 0.00 7.07 3.38 -1.86 -3.13 115.31 121.16 1upm h LEU 22 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1upm h LEU 22 Cb 0.29 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1upm h LEU 22 CO 0.01 0.25 -1.82 0.41 0.09 0.00 0.00 178.44 177.38 1upm n THR 23 N -4.47 0.82 0.15 0.22 -1.04 -0.42 -4.83 114.28 104.72 1upm n THR 23 Ca 0.08 -0.46 0.03 0.00 -2.04 0.00 0.00 64.05 61.66 1upm n THR 23 Cb 0.28 -0.77 0.05 0.00 -1.82 0.00 0.00 70.33 68.07 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 -2.56 0.10 -4.19 -1.42 4.01 -0.06 -4.87 117.16 108.17 1upm n TYR 24 Ca -0.21 -0.17 -0.34 0.00 -0.16 0.00 0.00 57.90 57.02 1upm n TYR 24 Cb 0.86 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.76 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 -0.72 3.10 -0.46 -0.72 5.04 -1.18 -1.52 117.35 120.89 1upm s TYR 25 Ca 0.10 -0.21 0.07 0.00 -2.44 0.00 0.00 57.07 54.59 1upm s TYR 25 Cb 0.06 -2.03 0.25 0.00 0.35 0.00 0.00 41.96 40.59 1upm s TYR 25 CO 0.09 -0.02 0.79 2.41 -1.34 0.00 0.00 175.55 177.48 1upm n THR 26 N 3.72 -0.21 0.49 4.34 -1.04 0.19 -4.90 114.28 116.86 1upm n THR 26 Ca -0.17 -2.31 0.11 0.00 -2.04 0.00 0.00 64.05 59.65 1upm n THR 26 Cb 0.52 0.45 0.45 0.00 -1.82 0.00 0.00 70.33 69.93 1upm n THR 26 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1upm n PRO 27 N 1.48 0.16 0.00 -2.82 -0.04 -1.26 -2.14 135.00 130.38 1upm n PRO 27 Ca 0.13 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1upm n PRO 27 Cb 0.60 -1.78 0.31 0.00 -0.04 0.00 0.00 33.50 32.60 1upm n PRO 27 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1upm n GLU 28 N -2.08 1.18 -1.99 0.54 -0.58 -1.26 -4.82 120.64 111.63 1upm n GLU 28 Ca 0.03 -0.79 -0.42 0.00 -0.42 0.00 0.00 57.16 55.56 1upm n GLU 28 Cb 0.26 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 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 -2.36 2.99 -0.06 -0.32 5.04 -0.91 -5.01 117.35 116.72 1upm s TYR 29 Ca 0.26 0.65 -0.18 0.00 -2.44 0.00 0.00 57.07 55.36 1upm s TYR 29 Cb 0.19 -3.87 -0.05 0.00 0.35 0.00 0.00 41.96 38.58 1upm s TYR 29 CO 0.48 -3.25 0.49 -1.21 -1.34 0.00 0.00 175.55 170.72 1upm s GLU 30 N 1.41 4.24 0.31 4.97 2.02 -1.26 -4.99 118.70 125.40 1upm s GLU 30 Ca 0.69 0.51 -0.28 0.00 0.02 0.00 0.00 54.97 55.92 1upm s GLU 30 Cb -0.41 -3.36 -0.09 0.00 0.10 0.00 0.00 34.13 30.36 1upm s GLU 30 CO 0.31 0.34 1.10 0.95 0.02 0.00 0.00 175.26 177.98 1upm s THR 31 N -0.01 3.50 0.42 3.63 -4.23 -1.26 -5.02 115.64 112.66 1upm s THR 31 Ca 0.27 1.42 -0.17 0.00 -1.18 0.00 0.00 61.69 62.03 1upm s THR 31 Cb -0.16 -3.87 -0.09 0.00 1.34 0.00 0.00 72.50 69.72 1upm s THR 31 CO 0.13 0.27 0.87 -0.76 -0.54 0.00 0.00 174.62 174.60 1upm s LEU 32 N -1.74 3.89 0.00 4.79 1.43 -1.26 -4.98 118.68 120.81 1upm s LEU 32 Ca 0.48 1.47 0.16 0.00 -1.03 0.00 0.00 54.13 55.21 1upm s LEU 32 Cb -0.30 -4.33 0.80 0.00 0.03 0.00 0.00 46.19 42.38 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 -0.87 0.00 -0.55 2.29 8.00 -1.26 -1.98 116.55 122.18 1upm n ASP 33 Ca 0.05 0.13 0.12 0.00 0.71 0.00 0.00 54.79 55.80 1upm n ASP 33 Cb 0.54 -0.32 0.13 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.32 0.00 -2.49 -3.53 -2.24 -1.26 -4.55 114.28 98.89 1upm n THR 34 Ca 0.07 -0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 1upm n THR 34 Cb 0.14 1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.34 6.72 -0.12 3.42 1.01 -0.84 -3.48 116.67 121.04 1upm s ASP 35 Ca 0.23 2.11 -0.23 0.00 0.71 0.00 0.00 52.55 55.37 1upm s ASP 35 Cb 0.19 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1upm s ASP 35 CO 0.49 -0.52 0.73 -0.63 0.21 0.00 0.00 175.17 175.44 1upm s ILE 36 N -1.58 4.99 -0.15 0.77 1.09 0.68 -4.20 121.20 122.79 1upm s ILE 36 Ca 0.57 1.45 -0.07 0.00 -1.10 0.00 0.00 60.65 61.51 1upm s ILE 36 Cb -0.24 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.06 1upm s ILE 36 CO 0.30 0.16 0.08 -0.76 -0.10 0.00 0.00 174.94 174.62 1upm s LEU 37 N 1.40 3.97 -0.09 2.97 1.02 -1.07 0.27 118.68 127.15 1upm s LEU 37 Ca 0.36 0.20 0.02 0.00 0.02 0.00 0.00 54.13 54.74 1upm s LEU 37 Cb -0.17 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.04 1upm s LEU 37 CO 0.15 0.26 -0.17 0.00 0.02 0.00 0.00 176.35 176.62 1upm s ALA 38 N -0.17 2.50 -0.51 4.21 0.00 0.90 0.02 121.76 128.71 1upm s ALA 38 Ca 0.08 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 1upm s ALA 38 Cb -0.12 -1.01 0.11 0.00 0.00 0.00 0.00 23.12 22.10 1upm s ALA 38 CO 0.01 0.36 0.45 0.00 0.00 0.00 0.00 175.76 176.59 1upm s ALA 39 N -0.02 3.60 -0.18 0.00 0.00 -0.94 -0.58 121.76 123.64 1upm s ALA 39 Ca -0.05 -2.38 -0.11 0.00 0.00 0.00 0.00 51.96 49.42 1upm s ALA 39 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1upm s ALA 39 CO 0.04 -1.91 0.19 -0.06 0.00 0.00 0.00 175.76 174.02 1upm s PHE 40 N 1.60 3.43 -0.70 0.00 0.08 -0.09 -1.08 117.98 121.22 1upm s PHE 40 Ca 0.03 0.43 -0.26 0.00 0.12 0.00 0.00 56.93 57.25 1upm s PHE 40 Cb -0.28 -2.22 0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1upm s PHE 40 CO 0.04 0.29 1.19 0.50 -0.10 0.00 0.00 175.22 177.13 1upm s ARG 41 N 0.35 3.20 -0.19 0.44 3.52 0.72 -0.53 118.95 126.46 1upm s ARG 41 Ca 0.11 -0.35 -0.08 0.00 -0.13 0.00 0.00 55.73 55.28 1upm s ARG 41 Cb -0.12 -4.18 -0.04 0.00 -1.56 0.00 0.00 34.95 29.06 1upm s ARG 41 CO 0.00 -2.02 0.07 0.08 -0.81 0.00 0.00 175.30 172.62 1upm s VAL 42 N 5.22 4.79 -0.48 7.11 1.01 0.12 -1.94 120.40 136.24 1upm s VAL 42 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 1upm s VAL 42 Cb -0.10 -3.17 0.13 0.00 0.00 0.00 0.00 36.38 33.23 1upm s VAL 42 CO 0.15 0.45 0.26 -0.44 0.00 0.00 0.00 175.10 175.51 1upm s SER 43 N 0.50 4.97 0.75 3.32 0.01 -0.64 -1.40 113.70 121.20 1upm s SER 43 Ca 0.03 -2.50 -0.11 0.00 1.31 0.00 0.00 55.95 54.68 1upm s SER 43 Cb -0.13 -1.76 0.04 0.00 0.21 0.00 0.00 66.02 64.39 1upm s SER 43 CO 0.01 -0.40 1.09 -2.84 0.41 0.00 0.00 173.24 171.51 1upm s PRO 44 N 0.45 2.39 0.71 12.44 0.02 -1.26 -0.12 135.00 149.63 1upm s PRO 44 Ca 0.13 1.20 -0.12 0.00 0.02 0.00 0.00 61.00 62.23 1upm s PRO 44 Cb -0.22 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.41 1upm s PRO 44 CO -0.04 -1.55 1.08 -0.65 -0.33 0.00 0.00 177.00 175.51 1upm s GLN 45 N -4.76 2.71 0.20 5.54 -1.52 -0.82 -4.44 119.66 116.57 1upm s GLN 45 Ca 0.62 1.12 -0.33 0.00 -1.95 0.00 0.00 55.36 54.83 1upm s GLN 45 Cb -0.18 -1.95 -0.13 0.00 -0.22 0.00 0.00 33.01 30.53 1upm s GLN 45 CO 0.53 -1.29 1.63 -2.30 -0.25 0.00 0.00 175.29 173.62 1upm n PRO 46 N -3.05 2.45 -0.51 2.91 -0.02 -1.26 -1.94 135.00 133.59 1upm n PRO 46 Ca 0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1upm n PRO 46 Cb 0.53 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1upm n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upm n GLY 47 N 3.48 0.75 3.39 -1.23 0.00 -1.26 -5.02 105.19 105.30 1upm n GLY 47 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1upm n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upm s VAL 48 N -2.68 4.35 0.63 1.61 1.01 -0.82 -5.09 120.40 119.41 1upm s VAL 48 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1upm s VAL 48 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1upm s VAL 48 CO 0.00 0.01 1.19 -2.16 0.00 0.00 0.00 175.10 174.13 1upm s PRO 49 N 1.56 2.77 0.30 2.72 0.04 -1.26 -4.74 135.00 136.38 1upm s PRO 49 Ca 0.03 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 1upm s PRO 49 Cb -0.18 -1.91 0.50 0.00 0.04 0.00 0.00 34.50 32.95 1upm s PRO 49 CO 0.05 -1.34 1.93 -1.00 0.04 0.00 0.00 177.00 176.68 1upm h PRO 50 N 0.49 1.03 -0.84 0.56 0.13 -1.98 -1.93 132.00 129.47 1upm h PRO 50 Ca -0.49 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1upm h PRO 50 Cb 1.29 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1upm h PRO 50 CO 0.54 0.68 0.55 0.93 -0.23 0.00 0.00 178.00 180.47 1upm h GLU 51 N 1.06 1.11 -0.01 0.86 3.07 -1.99 -0.59 114.58 118.09 1upm h GLU 51 Ca 0.36 -0.07 -0.18 0.00 -0.50 0.00 0.00 59.36 58.97 1upm h GLU 51 Cb 0.09 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1upm h GLU 51 CO -0.12 0.74 -0.80 1.49 -1.40 0.00 0.00 179.01 178.93 1upm h GLU 52 N 1.14 0.18 -0.14 2.33 4.57 -1.77 -1.45 114.58 119.43 1upm h GLU 52 Ca 0.31 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1upm h GLU 52 Cb -0.12 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1upm h GLU 52 CO -0.06 0.88 0.04 0.00 -1.18 0.00 0.00 179.01 178.69 1upm h ALA 53 N 1.06 0.19 -0.52 2.92 0.00 -1.05 -0.57 119.26 121.29 1upm h ALA 53 Ca -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1upm h ALA 53 Cb 1.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1upm h ALA 53 CO 0.12 -0.19 0.20 0.78 0.00 0.00 0.00 179.25 180.16 1upm h GLY 54 N 0.05 0.83 0.99 0.00 0.00 -1.13 -1.15 103.07 102.65 1upm h GLY 54 Ca 0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1upm h GLY 54 CO -0.00 0.43 0.32 0.00 0.00 0.00 0.00 176.54 177.29 1upm h ALA 55 N 1.05 0.73 0.01 3.60 0.00 -1.17 -1.34 119.26 122.15 1upm h ALA 55 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1upm h ALA 55 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1upm h ALA 55 CO -0.01 0.24 -0.04 0.00 0.00 0.00 0.00 179.25 179.43 1upm h ALA 56 N 1.15 -0.06 -0.18 0.00 0.00 -0.73 0.17 119.26 119.61 1upm h ALA 56 Ca 0.20 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1upm h ALA 56 Cb 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1upm h ALA 56 CO -0.03 -0.54 -0.10 0.28 0.00 0.00 0.00 179.25 178.85 1upm h VAL 57 N -0.09 0.69 -0.80 0.00 2.07 -0.98 -2.37 116.25 114.78 1upm h VAL 57 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1upm h VAL 57 Cb 0.10 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1upm h VAL 57 CO -0.04 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.94 1upm h ALA 58 N 1.07 1.04 -0.43 1.67 0.00 -0.97 -2.42 119.26 119.22 1upm h ALA 58 Ca 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1upm h ALA 58 Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1upm h ALA 58 CO -0.24 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.66 1upm h ALA 59 N 1.20 0.57 -0.01 0.00 0.00 -0.78 -3.15 119.26 117.10 1upm h ALA 59 Ca 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1upm h ALA 59 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1upm h ALA 59 CO -0.04 0.31 -0.35 -1.91 0.00 0.00 0.00 179.25 177.26 1upm n GLU 60 N -4.47 0.56 -0.48 0.00 4.07 -0.91 0.15 120.64 119.56 1upm n GLU 60 Ca -0.00 -0.33 0.09 0.00 -0.06 0.00 0.00 57.16 56.86 1upm n GLU 60 Cb 0.26 -1.49 0.31 0.00 -0.06 0.00 0.00 31.44 30.46 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 -0.93 4.25 0.00 4.31 3.41 -0.92 -4.74 113.62 119.00 1upm n SER 61 Ca 0.10 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1upm n SER 61 Cb 0.35 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 1.06 0.00 0.00 4.04 3.41 -1.13 -4.47 113.62 116.53 1upm n SER 62 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1upm n SER 62 Cb 0.76 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 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 -1.32 0.00 -4.06 6.66 -2.24 -0.79 -4.93 114.28 107.60 1upm n THR 63 Ca 0.00 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 1upm n THR 63 Cb 0.00 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.53 1.77 0.00 3.38 0.00 0.39 -5.02 107.32 107.31 1upm s GLY 64 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1upm s GLY 64 CO 0.00 -1.16 0.00 -0.37 0.00 0.00 0.00 173.10 171.57 1upm n THR 65 N -0.22 0.00 0.51 0.90 5.66 -1.26 -4.25 114.28 115.61 1upm n THR 65 Ca -0.08 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.03 1upm n THR 65 Cb 0.54 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.36 1upm n THR 65 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1upm n TRP 66 N 0.00 0.37 -4.38 1.09 4.27 -1.26 -4.88 117.44 112.64 1upm n TRP 66 Ca 0.00 0.11 -0.20 0.00 -3.89 0.00 0.00 57.50 53.52 1upm n TRP 66 Cb 0.00 -0.52 -0.10 0.00 -1.36 0.00 0.00 31.31 29.33 1upm n TRP 66 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1upm s THR 67 N -3.22 0.66 -0.02 -1.67 -1.32 -1.26 -4.66 115.64 104.15 1upm s THR 67 Ca 0.03 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.28 1upm s THR 67 Cb 0.14 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 1upm s THR 67 CO 0.79 0.00 0.70 -0.89 -2.21 0.00 0.00 174.62 173.01 1upm s THR 68 N -3.53 4.93 -0.10 5.08 2.01 -0.96 -4.98 115.64 118.10 1upm s THR 68 Ca 0.35 1.46 0.01 0.00 0.31 0.00 0.00 61.69 63.82 1upm s THR 68 Cb 0.07 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1upm s THR 68 CO 0.15 0.31 -0.10 0.68 -0.69 0.00 0.00 174.62 174.97 1upm s VAL 69 N 0.38 3.37 0.47 3.82 -7.23 -1.26 -4.49 120.40 115.45 1upm s VAL 69 Ca 0.37 -0.58 0.17 0.00 -1.81 0.00 0.00 61.98 60.13 1upm s VAL 69 Cb -0.19 -2.39 0.22 0.00 0.56 0.00 0.00 36.38 34.58 1upm s VAL 69 CO 0.19 0.56 2.05 4.11 -0.31 0.00 0.00 175.10 181.70 1upm h TRP 70 N 5.93 0.00 0.00 2.82 5.08 -1.96 -3.00 115.95 124.82 1upm h TRP 70 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.59 1upm h TRP 70 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1upm h TRP 70 CO 0.52 0.13 0.00 0.25 -1.28 0.00 0.00 178.44 178.06 1upm n THR 71 N -4.27 1.16 -0.09 0.12 -2.24 -1.26 -2.33 114.28 105.37 1upm n THR 71 Ca -0.03 0.29 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 1upm n THR 71 Cb 0.20 -1.12 0.50 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.37 0.60 3.42 3.32 -1.91 -2.69 116.42 119.53 1upm h ASP 72 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1upm h ASP 72 Cb 0.14 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1upm h ASP 72 CO 0.00 0.22 0.00 0.61 -1.72 0.00 0.00 179.24 178.35 1upm n GLY 73 N -1.52 -1.27 0.21 2.75 0.00 -0.98 -2.41 105.19 101.96 1upm n GLY 73 Ca 0.10 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1upm n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upm h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.69 -3.47 115.31 114.51 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 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1upm h LEU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.94 1upm n THR 75 N -3.01 0.00 -3.63 0.22 -1.04 -1.01 -5.09 114.28 100.72 1upm n THR 75 Ca 0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.66 1upm n THR 75 Cb 0.52 -0.20 -0.08 0.00 -1.82 0.00 0.00 70.33 68.75 1upm n THR 75 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1upm s ASN 76 N -0.71 5.58 0.28 8.00 3.84 -1.26 -4.97 114.94 125.70 1upm s ASN 76 Ca 0.00 -2.82 0.00 0.00 0.21 0.00 0.00 52.86 50.26 1upm s ASN 76 Cb 0.00 -1.93 0.52 0.00 -0.55 0.00 0.00 41.25 39.29 1upm s ASN 76 CO 0.00 -0.42 1.83 0.25 -2.79 0.00 0.00 177.10 175.98 1upm h LEU 77 N 7.20 0.89 -1.32 3.21 5.85 -1.99 -2.32 115.31 126.83 1upm h LEU 77 Ca 0.01 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1upm h LEU 77 Cb 0.97 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1upm h LEU 77 CO 0.72 0.48 -0.28 0.44 -0.34 0.00 0.00 178.44 179.47 1upm h ASP 78 N 0.97 0.00 1.81 1.25 3.32 -1.95 0.19 116.42 122.01 1upm h ASP 78 Ca 0.48 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.50 1upm h ASP 78 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1upm h ASP 78 CO -0.26 0.28 -0.19 0.08 -1.72 0.00 0.00 179.24 177.43 1upm h ARG 79 N 0.00 0.00 0.00 3.56 0.11 -1.85 -3.36 114.38 112.83 1upm h ARG 79 Ca -0.00 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 1upm h ARG 79 Cb 0.66 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.71 1upm h ARG 79 CO 0.04 0.14 -2.11 0.66 0.10 0.00 0.00 179.97 178.80 1upm n TYR 80 N -3.12 0.00 -1.73 4.08 4.01 -0.66 -4.84 117.16 114.90 1upm n TYR 80 Ca 0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.37 1upm n TYR 80 Cb 0.59 -0.67 0.02 0.00 -0.31 0.00 0.00 39.34 38.97 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 -2.42 2.09 -1.71 -0.72 2.85 0.58 -4.64 118.16 114.19 1upm n LYS 81 Ca -0.15 0.75 -0.31 0.00 -1.05 0.00 0.00 58.31 57.55 1upm n LYS 81 Cb 0.78 -2.52 0.04 0.00 -0.65 0.00 0.00 35.03 32.67 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 -0.51 1.66 -0.21 2.58 0.00 -1.26 -4.63 107.32 104.94 1upm s GLY 82 Ca 0.61 -0.03 -0.12 0.00 0.00 0.00 0.00 44.72 45.19 1upm s GLY 82 CO 0.57 0.27 0.52 1.09 0.00 0.00 0.00 173.10 175.56 1upm s ARG 83 N -5.12 0.52 -0.27 2.90 1.70 -0.69 -4.64 118.95 113.35 1upm s ARG 83 Ca 0.57 0.96 -0.27 0.00 -0.47 0.00 0.00 55.73 56.53 1upm s ARG 83 Cb -0.13 0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 1upm s ARG 83 CO 0.54 -0.15 0.94 0.00 -1.08 0.00 0.00 175.30 175.55 1upm n TYR 85 N 6.35 0.00 -3.63 0.00 4.11 -0.57 -0.64 117.16 122.78 1upm n TYR 85 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.86 1upm n TYR 85 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.74 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 -1.40 -0.83 -0.09 -3.48 5.04 -1.25 -4.32 115.29 108.97 1upm s HIS 86 Ca 0.03 1.95 -0.00 0.00 -1.54 0.00 0.00 55.06 55.50 1upm s HIS 86 Cb 0.04 0.32 0.02 0.00 0.04 0.00 0.00 32.58 33.01 1upm s HIS 86 CO 0.21 -0.40 -0.06 0.42 -2.34 0.00 0.00 174.74 172.57 1upm s ILE 87 N 0.55 0.84 -0.10 0.89 1.01 -1.26 -1.29 121.20 121.84 1upm s ILE 87 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1upm s ILE 87 Cb -0.05 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1upm s ILE 87 CO -0.02 0.32 -0.16 -0.70 0.00 0.00 0.00 174.94 174.38 1upm s GLU 88 N 1.51 2.28 0.48 2.79 2.12 -0.31 -5.01 118.70 122.57 1upm s GLU 88 Ca 0.00 -0.59 -0.21 0.00 0.36 0.00 0.00 54.97 54.52 1upm s GLU 88 Cb -0.13 -1.89 -0.07 0.00 0.26 0.00 0.00 34.13 32.30 1upm s GLU 88 CO -0.05 -0.01 1.11 -1.25 -0.54 0.00 0.00 175.26 174.52 1upm s PRO 89 N 0.83 3.69 -0.19 4.30 0.04 -1.26 0.25 135.00 142.66 1upm s PRO 89 Ca -0.10 1.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 1upm s PRO 89 Cb -0.16 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1upm s PRO 89 CO 0.01 -0.56 0.42 0.08 0.04 0.00 0.00 177.00 176.98 1upm s VAL 90 N -1.74 5.19 0.04 -0.36 1.01 -0.22 -4.77 120.40 119.55 1upm s VAL 90 Ca 0.67 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 1upm s VAL 90 Cb -0.23 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1upm s VAL 90 CO 0.27 0.25 1.58 0.00 0.00 0.00 0.00 175.10 177.21 1upm s ALA 91 N 1.29 3.65 0.00 5.51 0.00 -1.26 -2.30 121.76 128.65 1upm s ALA 91 Ca 0.20 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1upm s ALA 91 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1upm s ALA 91 CO 0.08 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1upm n GLY 92 N 3.91 0.83 3.00 0.00 0.00 -1.26 -5.04 105.19 106.62 1upm n GLY 92 Ca 0.15 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.66 1.44 -0.11 1.61 0.41 -0.97 -5.10 118.70 115.32 1upm s GLU 93 Ca 0.00 -0.34 -0.30 0.00 -0.41 0.00 0.00 54.97 53.92 1upm s GLU 93 Cb 0.00 -1.24 -0.02 0.00 -1.78 0.00 0.00 34.13 31.10 1upm s GLU 93 CO 0.00 0.02 1.07 -1.83 -0.49 0.00 0.00 175.26 174.03 1upm s GLU 94 N 0.64 4.38 -1.39 1.61 1.03 -1.26 -4.38 118.70 119.33 1upm s GLU 94 Ca -0.12 1.48 -0.06 0.00 0.03 0.00 0.00 54.97 56.29 1upm s GLU 94 Cb -0.15 -3.56 0.03 0.00 -0.80 0.00 0.00 34.13 29.65 1upm s GLU 94 CO 0.03 -0.39 0.88 -1.71 -1.33 0.00 0.00 175.26 172.73 1upm n ASN 95 N 5.24 -3.14 -3.76 0.83 5.15 -1.26 -4.98 115.26 113.33 1upm n ASN 95 Ca 0.10 -0.76 -0.17 0.00 -0.60 0.00 0.00 54.58 53.15 1upm n ASN 95 Cb 0.48 -4.19 -0.16 0.00 -0.53 0.00 0.00 39.78 35.37 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 -6.20 0.06 0.06 1.20 0.74 -1.26 -4.02 119.66 110.24 1upm s GLN 96 Ca 0.31 0.19 0.05 0.00 0.05 0.00 0.00 55.36 55.96 1upm s GLN 96 Cb -0.15 -0.38 -0.03 0.00 1.10 0.00 0.00 33.01 33.55 1upm s GLN 96 CO 0.80 -0.19 -0.15 0.71 -0.55 0.00 0.00 175.29 175.91 1upm s TYR 97 N 1.29 1.30 -0.45 1.67 1.51 -0.49 -1.06 117.35 121.12 1upm s TYR 97 Ca -0.06 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.35 1upm s TYR 97 Cb -0.13 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.00 1upm s TYR 97 CO -0.03 0.06 0.85 0.42 -1.11 0.00 0.00 175.55 175.75 1upm s ILE 98 N -1.05 4.58 -0.21 2.71 -1.09 0.14 0.16 121.20 126.43 1upm s ILE 98 Ca 0.01 0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 58.96 1upm s ILE 98 Cb -0.09 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.38 1upm s ILE 98 CO 0.02 -0.74 0.11 0.00 -1.23 0.00 0.00 174.94 173.10 1upm s TYR 100 N 0.62 3.27 0.02 0.00 1.51 -0.41 -0.91 117.35 121.44 1upm s TYR 100 Ca 0.06 0.29 0.08 0.00 -1.01 0.00 0.00 57.07 56.49 1upm s TYR 100 Cb -0.12 -2.41 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 1upm s TYR 100 CO 0.01 -0.09 -0.24 0.08 -1.11 0.00 0.00 175.55 174.20 1upm s VAL 101 N 1.57 1.92 -0.12 0.71 1.01 0.25 -1.52 120.40 124.22 1upm s VAL 101 Ca 0.11 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1upm s VAL 101 Cb -0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1upm s VAL 101 CO 0.08 0.40 -0.15 0.00 0.00 0.00 0.00 175.10 175.44 1upm s ALA 102 N -0.69 2.54 -0.14 5.51 0.00 -0.40 -0.07 121.76 128.51 1upm s ALA 102 Ca 0.10 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1upm s ALA 102 Cb -0.09 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.92 1upm s ALA 102 CO 0.01 0.27 -0.18 0.71 0.00 0.00 0.00 175.76 176.57 1upm s TYR 103 N 0.30 2.37 0.30 0.00 2.02 0.14 -1.70 117.35 120.79 1upm s TYR 103 Ca -0.12 -1.26 -0.29 0.00 -0.37 0.00 0.00 57.07 55.04 1upm s TYR 103 Cb -0.16 -1.67 -0.13 0.00 -0.40 0.00 0.00 41.96 39.60 1upm s TYR 103 CO 0.06 -0.63 1.26 -2.30 -1.57 0.00 0.00 175.55 172.37 1upm n PRO 104 N 4.39 1.93 -0.38 -1.71 -0.02 -1.26 -0.23 135.00 137.72 1upm n PRO 104 Ca -0.19 0.68 0.30 0.00 -2.02 0.00 0.00 63.50 62.27 1upm n PRO 104 Cb 0.51 -2.23 0.56 0.00 -0.02 0.00 0.00 33.50 32.32 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 2.82 0.38 0.00 2.45 5.85 -1.92 -1.99 115.31 122.89 1upm h LEU 105 Ca -0.44 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1upm h LEU 105 Cb 1.29 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1upm h LEU 105 CO 0.65 -0.15 0.00 0.47 -0.34 0.00 0.00 178.44 179.07 1upm n ASP 106 N -4.86 0.00 0.21 1.25 9.92 -1.26 -2.74 116.55 119.06 1upm n ASP 106 Ca 0.34 0.18 0.12 0.00 -0.53 0.00 0.00 54.79 54.90 1upm n ASP 106 Cb 1.18 -0.35 0.19 0.00 -0.64 0.00 0.00 41.12 41.50 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 -9.74 0.64 3.38 -1.73 -3.47 115.31 104.40 1upm h LEU 107 Ca 0.00 -0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1upm h LEU 107 Cb 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 1upm h LEU 107 CO 0.00 0.00 -0.53 -0.36 0.09 0.00 0.00 178.44 177.64 1upm s PHE 108 N -3.20 3.42 -0.12 1.13 0.08 -1.11 -5.05 117.98 113.14 1upm s PHE 108 Ca 0.07 0.26 -0.26 0.00 0.12 0.00 0.00 56.93 57.12 1upm s PHE 108 Cb 0.06 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1upm s PHE 108 CO 0.67 0.59 0.83 -2.00 -0.10 0.00 0.00 175.22 175.21 1upm s GLU 109 N -2.05 4.38 0.36 0.44 2.12 -1.26 -5.01 118.70 117.67 1upm s GLU 109 Ca 0.28 1.06 -0.27 0.00 0.36 0.00 0.00 54.97 56.39 1upm s GLU 109 Cb -0.12 -3.52 -0.12 0.00 0.26 0.00 0.00 34.13 30.62 1upm s GLU 109 CO 0.20 -0.19 1.22 0.39 -0.54 0.00 0.00 175.26 176.33 1upm n GLU 110 N 4.66 1.90 -0.88 4.30 4.71 -1.26 -2.53 120.64 131.53 1upm n GLU 110 Ca 0.03 0.67 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 1upm n GLU 110 Cb 0.50 -2.24 0.00 0.00 -1.01 0.00 0.00 31.44 28.69 1upm n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1upm n GLY 111 N 0.88 0.08 3.08 0.62 0.00 -1.14 -4.96 105.19 103.75 1upm n GLY 111 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.03 5.10 0.24 1.61 0.15 -1.05 -4.92 113.70 112.79 1upm s SER 112 Ca 0.00 -2.39 -0.05 0.00 0.70 0.00 0.00 55.95 54.21 1upm s SER 112 Cb 0.00 -1.79 0.40 0.00 -1.71 0.00 0.00 66.02 62.91 1upm s SER 112 CO 0.00 -0.44 1.77 0.58 1.20 0.00 0.00 173.24 176.35 1upm h VAL 113 N 5.99 0.81 -0.87 4.45 2.07 -1.93 -2.00 116.25 124.77 1upm h VAL 113 Ca -0.08 -0.21 0.23 0.00 0.82 0.00 0.00 66.70 67.46 1upm h VAL 113 Cb 1.00 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 30.78 1upm h VAL 113 CO 0.68 0.11 0.22 0.74 0.02 0.00 0.00 177.57 179.34 1upm h THR 114 N 0.61 0.32 -0.00 2.57 2.02 -1.91 -1.29 112.91 115.23 1upm h THR 114 Ca 0.38 -0.07 -0.22 0.00 0.77 0.00 0.00 66.41 67.27 1upm h THR 114 Cb 0.45 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1upm h THR 114 CO -0.30 0.04 -0.93 -1.13 0.37 0.00 0.00 175.52 173.56 1upm h ASN 115 N 0.21 0.54 0.40 4.18 -0.73 -1.72 -1.65 115.58 116.81 1upm h ASN 115 Ca 0.54 -0.43 -0.02 0.00 1.87 0.00 0.00 56.30 58.26 1upm h ASN 115 Cb 1.08 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.50 1upm h ASN 115 CO -0.65 1.23 -0.19 -0.03 -0.37 0.00 0.00 177.43 177.41 1upm h MET 116 N 0.24 -0.52 -0.96 6.67 4.05 -0.98 -2.72 114.93 120.71 1upm h MET 116 Ca -0.08 0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.49 1upm h MET 116 Cb 1.57 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 32.41 1upm h MET 116 CO 0.16 -0.28 0.60 0.74 0.23 0.00 0.00 176.91 178.36 1upm h PHE 117 N -0.66 1.09 -0.97 1.39 0.04 -1.38 -2.31 116.94 114.15 1upm h PHE 117 Ca -0.06 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.78 1upm h PHE 117 Cb 0.48 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 1upm h PHE 117 CO -0.02 0.45 0.64 1.15 -0.60 0.00 0.00 178.31 179.92 1upm h THR 118 N 0.97 1.18 0.20 -1.55 2.02 -1.01 -0.84 112.91 113.89 1upm h THR 118 Ca 0.47 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1upm h THR 118 Cb 0.42 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1upm h THR 118 CO -0.25 0.23 -0.10 0.28 0.37 0.00 0.00 175.52 176.05 1upm h SER 119 N 1.24 -0.23 1.29 4.18 0.02 -1.30 -2.78 113.55 115.97 1upm h SER 119 Ca 0.38 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1upm h SER 119 Cb -0.02 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1upm h SER 119 CO -0.11 0.30 -0.22 0.40 -1.14 0.00 0.00 176.83 176.06 1upm h ILE 120 N -0.92 0.44 0.00 3.27 2.04 -1.09 -3.27 117.51 117.98 1upm h ILE 120 Ca -0.03 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1upm h ILE 120 Cb 0.49 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1upm h ILE 120 CO 0.05 0.21 -0.06 0.52 0.00 0.00 0.00 178.15 178.87 1upm n VAL 121 N -3.25 0.41 0.15 1.67 0.31 -0.35 -4.88 118.33 112.39 1upm n VAL 121 Ca 0.01 -0.43 -0.06 0.00 -0.01 0.00 0.00 64.34 63.85 1upm n VAL 121 Cb 0.51 0.72 -0.03 0.00 -0.91 0.00 0.00 33.84 34.13 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 -0.42 0.00 2.92 0.00 -1.48 -3.43 103.07 100.66 1upm h GLY 122 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1upm h GLY 122 CO 0.00 -0.15 -0.98 0.70 0.00 0.00 0.00 176.54 176.11 1upm n ASN 123 N -3.68 3.90 0.23 0.19 3.02 -1.26 -4.85 115.26 112.80 1upm n ASN 123 Ca -0.05 -0.07 0.09 0.00 -0.03 0.00 0.00 54.58 54.52 1upm n ASN 123 Cb 0.16 1.09 0.53 0.00 -0.61 0.00 0.00 39.78 40.96 1upm n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1upm h VAL 124 N 0.00 0.72 0.00 2.41 -1.51 -1.85 -2.81 116.25 113.21 1upm h VAL 124 Ca 0.00 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1upm h VAL 124 Cb 0.10 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 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 -3.62 0.00 -0.03 5.19 3.01 -1.26 -2.87 117.46 117.88 1upm n PHE 125 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.47 1upm n PHE 125 Cb 0.36 -0.34 0.05 0.00 -0.01 0.00 0.00 39.48 39.55 1upm n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1upm n GLY 126 N -0.59 2.32 3.65 1.37 0.00 -1.06 -4.84 105.19 106.04 1upm n GLY 126 Ca 0.03 -0.14 -0.49 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.05 2.05 -0.29 1.61 3.72 -1.14 -4.88 117.46 118.49 1upm n PHE 127 Ca 0.04 0.36 0.09 0.00 -0.05 0.00 0.00 57.45 57.89 1upm n PHE 127 Cb 0.29 -2.49 0.31 0.00 -0.94 0.00 0.00 39.48 36.65 1upm n PHE 127 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1upm h LYS 128 N 5.95 0.82 0.00 -1.08 1.57 -1.95 -2.45 116.57 119.42 1upm h LYS 128 Ca -0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1upm h LYS 128 Cb 1.28 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1upm h LYS 128 CO 0.87 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 180.29 1upm n ALA 129 N -2.40 1.93 -2.52 3.86 0.00 -1.26 -4.67 120.51 115.45 1upm n ALA 129 Ca 0.16 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 1upm n ALA 129 Cb 0.37 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.33 2.80 -0.12 0.00 1.43 -0.93 -1.94 118.68 117.60 1upm s LEU 130 Ca 0.18 -0.60 0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1upm s LEU 130 Cb 0.10 -1.56 -0.24 0.00 0.03 0.00 0.00 46.19 44.52 1upm s LEU 130 CO 0.20 0.14 0.37 0.54 0.23 0.00 0.00 176.35 177.83 1upm n ARG 131 N 0.40 0.66 -3.56 1.70 1.74 0.82 -4.74 116.66 113.69 1upm n ARG 131 Ca -0.13 0.15 -0.12 0.00 -0.77 0.00 0.00 57.85 56.98 1upm n ARG 131 Cb 0.54 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.54 -1.89 -0.16 7.54 0.00 -1.07 -5.03 121.76 118.60 1upm s ALA 132 Ca -0.07 1.49 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 1upm s ALA 132 Cb 0.07 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.77 1upm s ALA 132 CO 0.83 -0.35 0.38 -1.17 0.00 0.00 0.00 175.76 175.45 1upm s LEU 133 N -1.23 0.02 -0.07 0.00 2.96 -1.20 -1.62 118.68 117.55 1upm s LEU 133 Ca -0.03 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1upm s LEU 133 Cb -0.00 1.25 0.02 0.00 0.50 0.00 0.00 46.19 47.96 1upm s LEU 133 CO 0.03 -0.19 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.22 1upm s ARG 134 N 1.30 1.10 -0.23 1.98 3.52 -0.82 -1.14 118.95 124.66 1upm s ARG 134 Ca -0.09 -0.15 -0.26 0.00 -0.13 0.00 0.00 55.73 55.11 1upm s ARG 134 Cb -0.08 -1.15 -0.00 0.00 -1.56 0.00 0.00 34.95 32.16 1upm s ARG 134 CO -0.11 -0.16 0.88 -1.17 -0.81 0.00 0.00 175.30 173.93 1upm s LEU 135 N 1.30 4.09 -0.15 -0.88 2.96 -0.02 -0.20 118.68 125.78 1upm s LEU 135 Ca -0.04 1.13 0.06 0.00 -0.22 0.00 0.00 54.13 55.06 1upm s LEU 135 Cb -0.14 -3.28 -0.23 0.00 0.50 0.00 0.00 46.19 43.04 1upm s LEU 135 CO -0.02 -0.55 0.24 -0.62 -1.32 0.00 0.00 176.35 174.08 1upm n GLU 136 N 6.03 0.68 -3.45 1.98 -0.58 -0.24 -1.13 120.64 123.92 1upm n GLU 136 Ca 0.07 0.18 -0.11 0.00 -0.42 0.00 0.00 57.16 56.88 1upm n GLU 136 Cb 0.47 -1.65 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1upm n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1upm s ASP 137 N -6.31 -0.53 -0.01 1.62 -1.08 -1.23 -4.61 116.67 104.53 1upm s ASP 137 Ca -0.18 -0.03 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 1upm s ASP 137 Cb 0.07 0.59 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 1upm s ASP 137 CO 0.76 -0.96 -0.05 -0.76 0.52 0.00 0.00 175.17 174.68 1upm s LEU 138 N -2.74 1.88 -0.46 -1.34 1.43 -1.26 -2.21 118.68 113.98 1upm s LEU 138 Ca 0.02 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 1upm s LEU 138 Cb -0.01 -0.30 0.06 0.00 0.03 0.00 0.00 46.19 45.97 1upm s LEU 138 CO -0.11 0.04 0.39 -0.60 0.23 0.00 0.00 176.35 176.30 1upm s ARG 139 N 0.07 2.98 -0.35 1.70 3.00 0.10 -4.93 118.95 121.52 1upm s ARG 139 Ca -0.00 -1.27 -0.19 0.00 -1.00 0.00 0.00 55.73 53.27 1upm s ARG 139 Cb -0.04 -4.10 -0.00 0.00 0.00 0.00 0.00 34.95 30.80 1upm s ARG 139 CO -0.00 -0.99 0.55 0.42 0.00 0.00 0.00 175.30 175.28 1upm s ILE 140 N 1.69 4.98 0.49 4.11 1.01 -1.26 -2.59 121.20 129.63 1upm s ILE 140 Ca 0.05 0.44 -0.22 0.00 0.00 0.00 0.00 60.65 60.92 1upm s ILE 140 Cb -0.23 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 1upm s ILE 140 CO 0.07 -0.23 1.22 -2.16 0.00 0.00 0.00 174.94 173.84 1upm s PRO 141 N 2.49 3.54 0.55 2.79 0.04 -1.26 -4.68 135.00 138.47 1upm s PRO 141 Ca 0.21 1.90 0.26 0.00 0.04 0.00 0.00 61.00 63.41 1upm s PRO 141 Cb -0.15 -2.33 1.58 0.00 0.04 0.00 0.00 34.50 33.64 1upm s PRO 141 CO 0.14 -0.77 2.17 -0.39 0.04 0.00 0.00 177.00 178.19 1upm h VAL 142 N 1.69 0.65 -0.07 -0.36 -1.51 -1.84 -0.50 116.25 114.30 1upm h VAL 142 Ca -0.50 -0.21 -0.08 0.00 -1.23 0.00 0.00 66.70 64.68 1upm h VAL 142 Cb 1.26 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1upm h VAL 142 CO 0.59 0.05 -0.32 0.00 -1.23 0.00 0.00 177.57 176.66 1upm h ALA 143 N 1.95 1.34 0.11 5.19 0.00 -1.92 -2.51 119.26 123.41 1upm h ALA 143 Ca -0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.29 1upm h ALA 143 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1upm h ALA 143 CO 0.01 0.47 -1.44 -0.92 0.00 0.00 0.00 179.25 177.36 1upm h TYR 144 N 0.12 0.41 -0.93 0.00 3.20 -1.48 -3.33 116.97 114.97 1upm h TYR 144 Ca 0.02 -0.30 0.11 0.00 3.14 0.00 0.00 58.73 61.69 1upm h TYR 144 Cb 0.63 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 1upm h TYR 144 CO 0.01 1.32 0.59 0.28 -1.64 0.00 0.00 178.16 178.72 1upm h VAL 145 N 0.06 0.94 0.00 1.81 2.07 -1.11 -1.69 116.25 118.34 1upm h VAL 145 Ca -0.21 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1upm h VAL 145 Cb 1.99 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1upm h VAL 145 CO 0.17 0.16 0.00 0.29 0.02 0.00 0.00 177.57 178.21 1upm n LYS 146 N -4.55 0.20 0.00 1.57 4.76 -0.97 -2.48 118.16 116.69 1upm n LYS 146 Ca 0.16 0.39 0.04 0.00 -2.87 0.00 0.00 58.31 56.04 1upm n LYS 146 Cb 0.34 -1.86 0.24 0.00 -1.84 0.00 0.00 35.03 31.90 1upm n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1upm n THR 147 N -2.24 0.00 -4.38 -0.18 -2.24 -0.63 -4.89 114.28 99.72 1upm n THR 147 Ca 0.03 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.56 1upm n THR 147 Cb 0.26 -0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 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 2.09 0.11 4.78 0.08 -1.04 -2.88 117.98 119.13 1upm s PHE 148 Ca 0.12 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.74 1upm s PHE 148 Cb 0.06 -1.04 -0.17 0.00 -0.57 0.00 0.00 43.02 41.29 1upm s PHE 148 CO 0.09 0.42 1.24 0.37 -0.10 0.00 0.00 175.22 177.25 1upm h GLN 149 N 3.26 0.30 0.00 0.44 4.15 -1.86 -3.51 115.11 117.89 1upm h GLN 149 Ca -0.45 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 58.57 1upm h GLN 149 Cb 1.21 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.03 1upm h GLN 149 CO 0.49 1.13 0.00 0.41 -1.93 0.00 0.00 178.83 178.93 1upm n GLY 150 N 1.22 -1.49 3.50 2.39 0.00 -0.80 -4.84 105.19 105.16 1upm n GLY 150 Ca -0.07 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.59 0.69 -0.22 1.61 -0.02 -1.24 -4.31 135.00 130.92 1upm n PRO 151 Ca 0.00 0.26 -0.06 0.00 -2.02 0.00 0.00 63.50 61.68 1upm n PRO 151 Cb 0.00 -1.73 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.63 0.84 0.00 0.52 0.11 -1.84 -3.43 132.00 128.84 1upm h PRO 152 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1upm h PRO 152 Cb 1.39 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1upm h PRO 152 CO 0.50 0.57 0.00 0.72 -0.21 0.00 0.00 178.00 179.58 1upm n HIS 153 N -4.63 -0.27 0.00 0.65 8.25 -1.26 -4.71 115.22 113.25 1upm n HIS 153 Ca 0.05 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1upm n HIS 153 Cb 0.03 0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 3.10 0.61 0.05 -1.41 0.00 -1.26 -4.54 105.19 101.74 1upm n GLY 154 Ca 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 1.08 -0.29 -0.61 2.04 -1.69 -1.83 117.51 116.21 1upm h ILE 155 Ca 0.00 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.69 1upm h ILE 155 Cb 0.00 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1upm h ILE 155 CO 0.00 0.06 -0.08 -0.61 0.00 0.00 0.00 178.15 177.52 1upm h GLN 156 N -0.07 -0.01 -0.26 2.37 4.15 -1.89 -2.42 115.11 116.98 1upm h GLN 156 Ca 0.01 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.25 1upm h GLN 156 Cb 0.09 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1upm h GLN 156 CO -0.00 -0.01 -0.54 -0.39 -1.93 0.00 0.00 178.83 175.96 1upm h VAL 157 N -0.01 1.29 -0.38 2.39 -1.51 -1.76 -1.81 116.25 114.46 1upm h VAL 157 Ca 0.14 -1.75 0.07 0.00 -1.23 0.00 0.00 66.70 63.93 1upm h VAL 157 Cb 0.22 1.67 -0.06 0.00 -2.13 0.00 0.00 31.29 30.99 1upm h VAL 157 CO -0.30 0.56 -0.02 -0.08 -1.23 0.00 0.00 177.57 176.50 1upm h GLU 158 N 0.60 0.08 -0.84 5.19 4.81 -1.28 0.43 114.58 123.56 1upm h GLU 158 Ca 0.01 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1upm h GLU 158 Cb 1.13 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1upm h GLU 158 CO 0.12 0.05 0.47 0.00 -0.73 0.00 0.00 179.01 178.92 1upm h ARG 159 N 0.08 1.17 -0.52 1.92 3.08 -1.32 -1.83 114.38 116.97 1upm h ARG 159 Ca 0.19 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1upm h ARG 159 Cb 0.27 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1upm h ARG 159 CO -0.32 0.86 0.01 -0.44 -1.07 0.00 0.00 179.97 179.01 1upm h ASP 160 N 1.17 0.89 -0.71 7.04 3.32 -0.41 -0.04 116.42 127.67 1upm h ASP 160 Ca 0.30 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1upm h ASP 160 Cb 0.02 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1upm h ASP 160 CO -0.05 0.97 0.45 0.11 -1.72 0.00 0.00 179.24 179.00 1upm h LYS 161 N 0.78 0.85 -0.01 3.56 1.79 0.01 -3.13 116.57 120.41 1upm h LYS 161 Ca 0.15 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1upm h LYS 161 Cb 0.51 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1upm h LYS 161 CO 0.02 0.56 -0.40 1.28 -1.08 0.00 0.00 179.45 179.83 1upm n LEU 162 N -4.66 1.40 -3.35 2.94 4.77 -0.71 -4.95 117.00 112.45 1upm n LEU 162 Ca 0.08 -0.46 -0.23 0.00 -0.03 0.00 0.00 56.01 55.36 1upm n LEU 162 Cb 0.09 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1upm n LEU 162 CO 0.33 0.27 0.16 -3.20 -1.33 0.00 0.00 177.39 173.62 1upm n ASN 163 N -0.49 -6.25 -4.10 -1.43 4.05 -0.08 -4.66 115.26 102.30 1upm n ASN 163 Ca 0.10 -0.45 -0.33 0.00 0.45 0.00 0.00 54.58 54.36 1upm n ASN 163 Cb 0.40 -4.95 -0.16 0.00 1.23 0.00 0.00 39.78 36.30 1upm n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1upm s LYS 164 N -6.09 2.65 0.02 1.20 1.02 -0.91 -5.03 119.74 112.59 1upm s LYS 164 Ca 0.48 -1.06 0.02 0.00 0.02 0.00 0.00 55.97 55.43 1upm s LYS 164 Cb -0.21 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1upm s LYS 164 CO 0.60 -0.37 -0.08 0.71 -0.92 0.00 0.00 175.35 175.29 1upm s TYR 165 N 1.21 0.66 0.00 3.18 2.02 -1.26 -4.69 117.35 118.47 1upm s TYR 165 Ca -0.01 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1upm s TYR 165 Cb -0.16 -0.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.99 1upm s TYR 165 CO -0.09 -0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.27 1upm n GLY 166 N 2.29 0.68 3.59 0.71 0.00 -1.26 -5.03 105.19 106.18 1upm n GLY 166 Ca -0.17 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.07 0.47 0.62 1.61 1.70 -1.26 -5.02 118.95 115.99 1upm s ARG 167 Ca 0.00 0.12 -0.17 0.00 -0.47 0.00 0.00 55.73 55.20 1upm s ARG 167 Cb 0.00 0.22 -0.07 0.00 -0.57 0.00 0.00 34.95 34.53 1upm s ARG 167 CO 0.00 -0.15 0.54 -2.30 -1.08 0.00 0.00 175.30 172.32 1upm n PRO 168 N 0.70 0.47 -2.69 3.89 -0.02 -1.05 -4.79 135.00 131.50 1upm n PRO 168 Ca -0.08 0.19 -0.28 0.00 -2.02 0.00 0.00 63.50 61.31 1upm n PRO 168 Cb 0.58 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 1upm n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upm s LEU 169 N 0.36 3.68 -0.16 2.45 1.43 -0.35 -4.95 118.68 121.15 1upm s LEU 169 Ca 0.68 0.99 -0.00 0.00 -1.03 0.00 0.00 54.13 54.77 1upm s LEU 169 Cb -0.41 -3.93 -0.00 0.00 0.03 0.00 0.00 46.19 41.88 1upm s LEU 169 CO 0.55 -0.53 -0.14 -0.76 0.23 0.00 0.00 176.35 175.70 1upm s LEU 170 N -4.47 2.55 0.00 1.79 1.43 -1.26 -0.70 118.68 118.02 1upm s LEU 170 Ca 0.49 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1upm s LEU 170 Cb -0.10 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1upm s LEU 170 CO 0.41 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.69 1upm n GLY 171 N 4.02 5.20 0.00 -3.19 0.00 -0.51 -1.05 105.19 109.66 1upm n GLY 171 Ca -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 0.00 4.30 0.25 0.00 2.01 -1.26 -4.36 115.64 116.58 1upm s THR 173 Ca 0.00 2.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.72 1upm s THR 173 Cb 0.00 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 1upm s THR 173 CO 0.00 0.36 1.19 -0.63 -0.69 0.00 0.00 174.62 174.85 1upm s ILE 174 N -0.34 3.34 0.51 1.82 -1.09 -1.26 -4.39 121.20 119.79 1upm s ILE 174 Ca 0.46 1.25 0.04 0.00 -2.23 0.00 0.00 60.65 60.17 1upm s ILE 174 Cb -0.25 -3.80 0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1upm s ILE 174 CO 0.31 0.26 0.36 0.29 -1.23 0.00 0.00 174.94 174.92 1upm n LYS 175 N 1.68 0.74 -0.01 2.79 4.76 -1.26 -4.41 118.16 122.45 1upm n LYS 175 Ca 0.02 -3.23 0.00 0.00 -2.87 0.00 0.00 58.31 52.23 1upm n LYS 175 Cb 0.44 0.38 0.00 0.00 -1.84 0.00 0.00 35.03 34.01 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 -1.67 0.00 -0.06 1.97 -0.01 -1.26 -4.95 135.00 129.02 1upm n PRO 176 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 63.50 63.38 1upm n PRO 176 Cb 0.59 -0.00 -0.02 0.00 -0.01 0.00 0.00 33.50 34.06 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 1.05 -0.24 -6.29 -0.52 1.57 -2.00 -3.43 116.57 106.71 1upm h LYS 177 Ca 0.00 0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 58.21 1upm h LYS 177 Cb 0.00 0.05 -0.20 0.00 0.08 0.00 0.00 32.23 32.17 1upm h LYS 177 CO 0.00 -0.16 -0.81 -0.51 -0.57 0.00 0.00 179.45 177.40 1upm s LEU 178 N -10.52 2.39 0.00 2.94 1.43 -1.26 -4.68 118.68 108.97 1upm s LEU 178 Ca -0.15 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 1upm s LEU 178 Cb 0.12 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.36 1upm s LEU 178 CO 0.68 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.93 1upm n GLY 179 N 0.56 0.45 3.86 -3.19 0.00 -1.26 -5.09 105.19 100.51 1upm n GLY 179 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 3.68 0.58 0.99 1.43 -1.26 -5.02 118.68 119.08 1upm s LEU 180 Ca 0.00 1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 54.41 1upm s LEU 180 Cb 0.00 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.93 1upm s LEU 180 CO 0.00 -0.53 0.90 -0.94 0.23 0.00 0.00 176.35 176.01 1upm s SER 181 N -3.21 5.69 0.18 2.29 1.04 -1.26 -4.43 113.70 113.99 1upm s SER 181 Ca 0.55 0.79 -0.16 0.00 0.48 0.00 0.00 55.95 57.62 1upm s SER 181 Cb -0.10 -1.81 0.14 0.00 0.10 0.00 0.00 66.02 64.34 1upm s SER 181 CO 0.33 -1.01 1.66 0.00 0.98 0.00 0.00 173.24 175.20 1upm h ALA 182 N -0.16 0.32 -0.20 5.32 0.00 -1.92 0.55 119.26 123.17 1upm h ALA 182 Ca -0.45 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1upm h ALA 182 Cb 1.25 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1upm h ALA 182 CO 0.61 -0.44 -0.27 -0.22 0.00 0.00 0.00 179.25 178.93 1upm h LYS 183 N 0.01 0.39 -0.05 0.00 3.64 -1.95 -2.66 116.57 115.94 1upm h LYS 183 Ca 0.22 -0.14 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 1upm h LYS 183 Cb 0.34 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1upm h LYS 183 CO -0.47 0.63 -0.78 -0.91 -2.27 0.00 0.00 179.45 175.65 1upm h ASN 184 N 0.34 0.46 -0.43 4.20 -0.26 -1.76 -1.68 115.58 116.45 1upm h ASN 184 Ca 0.05 -0.32 0.08 0.00 -0.56 0.00 0.00 56.30 55.55 1upm h ASN 184 Cb 0.65 -0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 37.70 1upm h ASN 184 CO 0.05 1.08 -0.02 0.22 -1.06 0.00 0.00 177.43 177.70 1upm h TYR 185 N 0.24 -0.05 -0.55 1.19 3.20 -0.75 -1.41 116.97 118.84 1upm h TYR 185 Ca -0.04 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1upm h TYR 185 Cb 1.38 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 1upm h TYR 185 CO 0.04 -0.11 -0.07 0.78 -1.64 0.00 0.00 178.16 177.17 1upm h GLY 186 N 0.09 1.10 0.54 1.82 0.00 -1.35 -0.66 103.07 104.62 1upm h GLY 186 Ca 0.22 -0.87 0.07 0.00 0.00 0.00 0.00 47.33 46.75 1upm h GLY 186 CO -0.37 0.80 0.28 -0.09 0.00 0.00 0.00 176.54 177.15 1upm h ARG 187 N 0.90 0.49 -0.05 4.80 2.43 -1.05 0.02 114.38 121.93 1upm h ARG 187 Ca 0.15 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1upm h ARG 187 Cb 0.64 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1upm h ARG 187 CO 0.04 0.33 0.02 0.00 -1.51 0.00 0.00 179.97 178.85 1upm h ALA 188 N 1.37 0.06 -0.54 2.80 0.00 -0.92 -2.65 119.26 119.37 1upm h ALA 188 Ca 0.29 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1upm h ALA 188 Cb 0.28 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1upm h ALA 188 CO -0.24 -0.35 0.07 0.28 0.00 0.00 0.00 179.25 179.01 1upm h VAL 189 N -0.09 0.64 -0.04 0.00 2.07 -0.87 -1.41 116.25 116.55 1upm h VAL 189 Ca 0.01 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1upm h VAL 189 Cb 0.17 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1upm h VAL 189 CO -0.00 0.04 0.02 0.22 0.02 0.00 0.00 177.57 177.86 1upm h TYR 190 N 0.20 0.05 -0.65 1.57 3.20 -0.86 -1.30 116.97 119.19 1upm h TYR 190 Ca 0.28 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 1upm h TYR 190 Cb 0.41 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1upm h TYR 190 CO -0.27 0.14 0.21 0.93 -1.64 0.00 0.00 178.16 177.53 1upm h GLU 191 N -0.05 0.98 0.29 1.82 4.39 -1.18 -1.79 114.58 119.04 1upm h GLU 191 Ca 0.01 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1upm h GLU 191 Cb 0.10 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1upm h GLU 191 CO -0.00 0.83 -0.17 0.00 -1.16 0.00 0.00 179.01 178.51 1upm h LEU 193 N -0.45 0.60 -0.91 0.00 3.38 -1.02 -2.49 115.31 114.42 1upm h LEU 193 Ca -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1upm h LEU 193 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1upm h LEU 193 CO 0.03 0.81 0.00 0.08 0.09 0.00 0.00 178.44 179.46 1upm h ARG 194 N 0.54 0.00 -0.00 1.13 0.11 -1.38 -2.56 114.38 112.21 1upm h ARG 194 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1upm h ARG 194 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1upm h ARG 194 CO 0.05 0.00 -0.34 0.41 0.10 0.00 0.00 179.97 180.19 1upm n GLY 195 N 0.02 -1.13 0.00 0.08 0.00 -0.94 -4.93 105.19 98.30 1upm n GLY 195 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.44 0.01 3.78 -0.02 0.00 -0.96 -2.11 105.19 107.33 1upm n GLY 196 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 4.00 0.05 0.99 1.43 -1.25 -4.87 118.68 119.03 1upm s LEU 197 Ca 0.00 2.06 -0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1upm s LEU 197 Cb 0.00 -4.34 -0.27 0.00 0.03 0.00 0.00 46.19 41.61 1upm s LEU 197 CO 0.00 -0.70 1.02 0.44 0.23 0.00 0.00 176.35 177.34 1upm h ASP 198 N 2.05 0.35 -4.48 2.29 3.32 -1.67 -3.44 116.42 114.85 1upm h ASP 198 Ca -0.49 -0.42 -0.33 0.00 0.02 0.00 0.00 57.03 55.81 1upm h ASP 198 Cb 1.23 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 40.47 1upm h ASP 198 CO 0.61 1.34 -0.74 -0.36 -1.72 0.00 0.00 179.24 178.36 1upm s PHE 199 N -2.64 1.02 0.00 4.55 0.08 -0.21 -1.91 117.98 118.87 1upm s PHE 199 Ca -0.05 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.42 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 0.86 -0.00 0.00 0.25 -0.10 0.00 0.00 175.22 176.23 1upm n THR 200 N 0.90 0.00 -2.17 0.64 -2.24 -1.04 -3.45 114.28 106.92 1upm n THR 200 Ca -0.19 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 1upm n THR 200 Cb 0.56 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1upm n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1upm s ASP 202 N 1.00 6.70 0.64 3.42 1.01 -0.72 -1.27 116.67 127.44 1upm s ASP 202 Ca 0.00 2.59 -0.18 0.00 0.71 0.00 0.00 52.55 55.67 1upm s ASP 202 Cb 0.00 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1upm s ASP 202 CO 0.00 -0.57 1.22 -0.62 0.21 0.00 0.00 175.17 175.41 1upm s ASP 203 N -0.67 4.84 0.56 0.27 -1.08 -1.26 -4.88 116.67 114.45 1upm s ASP 203 Ca 0.51 2.41 0.27 0.00 -0.52 0.00 0.00 52.55 55.22 1upm s ASP 203 Cb -0.37 -2.60 1.50 0.00 -1.46 0.00 0.00 42.92 39.99 1upm s ASP 203 CO 0.49 -1.83 2.02 1.05 0.52 0.00 0.00 175.17 177.42 1upm h GLU 204 N 0.51 0.00 -0.01 4.34 9.09 -1.98 -1.61 114.58 124.92 1upm h GLU 204 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1upm h GLU 204 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1upm h GLU 204 CO 0.53 0.00 -0.24 0.27 0.05 0.00 0.00 179.01 179.62 1upm n ASN 205 N -4.06 1.79 -4.55 3.06 6.94 -1.26 -4.80 115.26 112.38 1upm n ASN 205 Ca 0.06 -1.40 -0.38 0.00 -0.02 0.00 0.00 54.58 52.85 1upm n ASN 205 Cb 0.48 0.35 -0.03 0.00 -2.36 0.00 0.00 39.78 38.22 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 -1.72 3.42 0.00 3.53 1.01 -0.61 -4.85 120.40 121.18 1upm s VAL 206 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1upm s VAL 206 Cb 0.13 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1upm s VAL 206 CO 0.34 -1.06 0.00 0.59 0.00 0.00 0.00 175.10 174.98 1upm n ASN 207 N 12.38 0.00 -3.78 3.32 5.03 -1.26 -4.76 115.26 126.19 1upm n ASN 207 Ca 0.20 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.49 1upm n ASN 207 Cb 0.51 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 0.26 0.39 0.23 6.41 0.15 -1.26 -4.24 113.70 115.64 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 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1upm s SER 208 CO 0.00 -0.13 0.35 -1.10 1.20 0.00 0.00 173.24 173.56 1upm s GLN 209 N 1.21 1.42 0.48 5.44 1.11 -0.60 -4.92 119.66 123.81 1upm s GLN 209 Ca -0.07 -1.39 0.22 0.00 0.01 0.00 0.00 55.36 54.12 1upm s GLN 209 Cb -0.13 0.40 1.24 0.00 -1.01 0.00 0.00 33.01 33.51 1upm s GLN 209 CO -0.03 -0.55 1.94 -1.35 0.01 0.00 0.00 175.29 175.31 1upm h PRO 210 N 2.39 0.20 0.00 2.91 0.11 -2.02 -0.26 132.00 135.33 1upm h PRO 210 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1upm h PRO 210 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1upm h PRO 210 CO 0.42 0.13 -0.01 0.27 -0.21 0.00 0.00 178.00 178.60 1upm h PHE 211 N 0.20 0.00 -0.68 0.65 -5.15 -1.96 -3.44 116.94 106.57 1upm h PHE 211 Ca 0.34 0.00 0.15 0.00 -0.20 0.00 0.00 57.97 58.27 1upm h PHE 211 Cb 1.05 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 37.02 1upm h PHE 211 CO -0.00 0.00 -0.09 1.41 -2.00 0.00 0.00 178.31 177.62 1upm s MET 212 N -3.16 0.38 0.38 6.09 0.00 -0.11 -4.26 119.30 118.63 1upm s MET 212 Ca 0.09 0.64 -0.15 0.00 0.00 0.00 0.00 55.69 56.27 1upm s MET 212 Cb 0.09 0.35 -0.09 0.00 0.00 0.00 0.00 34.83 35.18 1upm s MET 212 CO 0.63 -0.46 0.81 1.03 0.00 0.00 0.00 175.02 177.03 1upm s ARG 213 N 2.90 3.98 0.22 4.11 1.81 -1.22 -1.56 118.95 129.20 1upm s ARG 213 Ca 0.11 0.73 -0.09 0.00 -1.72 0.00 0.00 55.73 54.76 1upm s ARG 213 Cb -0.12 -2.35 0.18 0.00 -0.45 0.00 0.00 34.95 32.21 1upm s ARG 213 CO -0.17 0.03 1.85 0.11 -0.68 0.00 0.00 175.30 176.44 1upm h TRP 214 N 1.81 1.10 -0.29 -0.53 5.08 -1.91 -2.86 115.95 118.35 1upm h TRP 214 Ca -0.48 -0.01 -0.18 0.00 1.08 0.00 0.00 58.89 59.30 1upm h TRP 214 Cb 1.18 -0.36 -0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1upm h TRP 214 CO 0.62 0.75 -0.54 -0.09 -1.28 0.00 0.00 178.44 177.90 1upm h ARG 215 N 1.13 0.85 -0.75 0.12 2.43 -1.94 0.18 114.38 116.40 1upm h ARG 215 Ca 0.29 -0.53 0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1upm h ARG 215 Cb -0.01 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 1upm h ARG 215 CO -0.05 1.17 0.35 -0.44 -1.51 0.00 0.00 179.97 179.48 1upm h ASP 216 N 0.65 0.41 -0.09 -3.80 3.32 -1.98 -2.29 116.42 112.64 1upm h ASP 216 Ca 0.02 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1upm h ASP 216 Cb 1.14 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1upm h ASP 216 CO 0.12 0.20 0.00 -0.09 -1.72 0.00 0.00 179.24 177.75 1upm h ARG 217 N 0.55 0.17 -0.92 3.56 2.43 -0.93 -2.34 114.38 116.89 1upm h ARG 217 Ca 0.39 -0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.68 1upm h ARG 217 Cb 0.51 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.95 1upm h ARG 217 CO -0.34 0.42 0.51 0.74 -1.51 0.00 0.00 179.97 179.79 1upm h PHE 218 N -0.11 0.89 0.02 2.20 -1.00 -0.51 0.57 116.94 119.00 1upm h PHE 218 Ca 0.03 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 1upm h PHE 218 Cb 0.34 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1upm h PHE 218 CO 0.03 0.19 -0.01 1.25 -1.61 0.00 0.00 178.31 178.17 1upm h LEU 219 N 0.67 -0.02 -0.98 1.54 6.46 -1.34 -0.58 115.31 121.07 1upm h LEU 219 Ca 0.52 -0.42 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 1upm h LEU 219 Cb 0.78 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 1upm h LEU 219 CO -0.38 0.41 -0.11 -0.26 -0.62 0.00 0.00 178.44 177.48 1upm h PHE 220 N -0.45 0.67 -0.28 1.25 0.04 -1.11 -2.65 116.94 114.42 1upm h PHE 220 Ca -0.00 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.56 1upm h PHE 220 Cb 0.43 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1upm h PHE 220 CO 0.07 0.71 -0.25 0.00 -0.60 0.00 0.00 178.31 178.24 1upm h ALA 222 N 1.24 0.24 -0.27 0.00 0.00 -0.98 0.14 119.26 119.63 1upm h ALA 222 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 222 Cb 0.69 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1upm h ALA 222 CO 0.05 -0.31 0.09 1.49 0.00 0.00 0.00 179.25 180.57 1upm h GLU 223 N 0.22 0.20 -0.01 0.00 4.81 -1.24 -1.91 114.58 116.64 1upm h GLU 223 Ca 0.08 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1upm h GLU 223 Cb 0.01 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1upm h GLU 223 CO -0.05 0.13 -0.14 0.00 -0.73 0.00 0.00 179.01 178.22 1upm h ALA 224 N 1.18 -0.15 -0.61 2.92 0.00 -1.20 -1.98 119.26 119.42 1upm h ALA 224 Ca 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 224 Cb 0.09 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1upm h ALA 224 CO -0.13 -0.62 0.25 1.37 0.00 0.00 0.00 179.25 180.11 1upm h LEU 225 N -0.22 0.82 -0.74 0.00 8.10 -0.47 -1.70 115.31 121.08 1upm h LEU 225 Ca 0.05 -0.11 -0.13 0.00 0.11 0.00 0.00 57.88 57.80 1upm h LEU 225 Cb 0.29 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1upm h LEU 225 CO -0.14 0.73 -0.55 1.88 -4.11 0.00 0.00 178.44 176.25 1upm h TYR 226 N 0.88 0.29 -0.61 0.17 0.05 -1.28 0.22 116.97 116.69 1upm h TYR 226 Ca 0.21 -0.10 -0.10 0.00 0.05 0.00 0.00 58.73 58.79 1upm h TYR 226 Cb 0.17 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1upm h TYR 226 CO 0.01 0.73 0.00 -0.22 -1.05 0.00 0.00 178.16 177.63 1upm h LYS 227 N 0.18 1.07 -0.38 4.88 3.64 -0.71 -2.34 116.57 122.92 1upm h LYS 227 Ca 0.00 -0.34 -0.15 0.00 -1.27 0.00 0.00 60.65 58.89 1upm h LYS 227 Cb 1.02 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1upm h LYS 227 CO 0.08 1.04 -0.34 0.00 -2.27 0.00 0.00 179.45 177.96 1upm h ALA 228 N 0.99 0.55 -0.62 5.00 0.00 -1.05 -2.45 119.26 121.68 1upm h ALA 228 Ca 0.17 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1upm h ALA 228 Cb 0.56 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1upm h ALA 228 CO 0.03 0.62 0.20 0.37 0.00 0.00 0.00 179.25 180.47 1upm h GLN 229 N 0.71 0.34 -0.11 0.00 4.15 -0.91 -1.84 115.11 117.46 1upm h GLN 229 Ca 0.06 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.28 1upm h GLN 229 Cb 0.93 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 1upm h GLN 229 CO 0.09 0.23 -0.69 0.00 -1.93 0.00 0.00 178.83 176.53 1upm h ALA 230 N 1.45 0.61 -0.31 3.38 0.00 -1.30 -0.35 119.26 122.75 1upm h ALA 230 Ca 0.32 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1upm h ALA 230 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1upm h ALA 230 CO -0.35 0.74 0.14 1.49 0.00 0.00 0.00 179.25 181.27 1upm h GLU 231 N 0.32 0.45 0.01 0.00 4.81 -1.25 -3.35 114.58 115.57 1upm h GLU 231 Ca -0.02 -0.07 -0.31 0.00 -0.13 0.00 0.00 59.36 58.83 1upm h GLU 231 Cb 1.25 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 1upm h GLU 231 CO 0.12 0.44 -1.84 0.25 -0.73 0.00 0.00 179.01 177.25 1upm n THR 232 N -4.75 1.58 -0.58 0.32 -2.24 -0.71 -4.98 114.28 102.92 1upm n THR 232 Ca -0.02 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1upm n THR 232 Cb 0.12 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 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 1.61 0.69 3.28 3.38 0.00 -0.15 -5.06 105.19 108.95 1upm n GLY 233 Ca -0.20 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.63 1.37 0.32 1.61 2.02 -1.24 -5.07 118.70 117.09 1upm s GLU 234 Ca 0.00 -1.05 -0.29 0.00 0.02 0.00 0.00 54.97 53.65 1upm s GLU 234 Cb 0.00 -1.56 -0.10 0.00 0.10 0.00 0.00 34.13 32.56 1upm s GLU 234 CO 0.00 0.39 1.27 0.42 0.02 0.00 0.00 175.26 177.36 1upm s ILE 235 N -0.91 2.87 0.17 -1.63 1.01 -1.26 -4.50 121.20 116.95 1upm s ILE 235 Ca 0.08 0.87 0.10 0.00 0.00 0.00 0.00 60.65 61.70 1upm s ILE 235 Cb -0.09 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1upm s ILE 235 CO 0.03 0.20 -0.21 -0.54 0.00 0.00 0.00 174.94 174.42 1upm s LYS 236 N -1.65 1.37 0.05 2.79 -0.14 -1.26 -4.88 119.74 116.02 1upm s LYS 236 Ca 0.49 -1.43 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 1upm s LYS 236 Cb -0.38 -1.56 -0.03 0.00 -1.68 0.00 0.00 37.83 34.17 1upm s LYS 236 CO 0.50 0.33 -0.04 0.20 -0.76 0.00 0.00 175.35 175.58 1upm s GLY 237 N -2.59 0.49 -0.07 -3.33 0.00 -0.80 -4.80 107.32 96.22 1upm s GLY 237 Ca 0.17 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1upm s GLY 237 CO 0.08 -1.16 0.02 -1.58 0.00 0.00 0.00 173.10 170.46 1upm s HIS 238 N -3.07 0.55 -0.51 1.90 2.46 -1.26 -2.50 115.29 112.87 1upm s HIS 238 Ca 0.01 -0.12 -0.28 0.00 0.47 0.00 0.00 55.06 55.14 1upm s HIS 238 Cb 0.02 -0.75 0.00 0.00 -0.13 0.00 0.00 32.58 31.72 1upm s HIS 238 CO -0.06 -0.32 1.55 0.71 -2.47 0.00 0.00 174.74 174.15 1upm s TYR 239 N 2.01 2.12 0.03 3.88 2.02 -0.40 -4.74 117.35 122.26 1upm s TYR 239 Ca 0.05 0.57 -0.30 0.00 -0.37 0.00 0.00 57.07 57.02 1upm s TYR 239 Cb -0.13 -4.29 -0.04 0.00 -0.40 0.00 0.00 41.96 37.11 1upm s TYR 239 CO -0.05 -2.19 0.96 -0.51 -1.57 0.00 0.00 175.55 172.19 1upm s LEU 240 N 6.62 4.40 -0.17 -1.29 1.43 -1.20 -1.76 118.68 126.72 1upm s LEU 240 Ca 0.60 1.67 -0.21 0.00 -1.03 0.00 0.00 54.13 55.16 1upm s LEU 240 Cb -0.13 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1upm s LEU 240 CO 0.27 -0.20 0.65 0.21 0.23 0.00 0.00 176.35 177.51 1upm s ASN 241 N 0.71 6.76 0.00 2.29 3.04 -1.26 -0.65 114.94 125.84 1upm s ASN 241 Ca 0.50 0.92 0.24 0.00 0.04 0.00 0.00 52.86 54.56 1upm s ASN 241 Cb -0.21 -2.36 0.32 0.00 -1.54 0.00 0.00 41.25 37.45 1upm s ASN 241 CO 0.28 -0.24 1.30 0.00 -3.04 0.00 0.00 177.10 175.40 1upm n ALA 242 N 4.77 3.22 -1.66 1.71 0.00 -0.61 -4.92 120.51 123.01 1upm n ALA 242 Ca -0.01 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.43 1upm n ALA 242 Cb 0.50 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.03 1.89 -3.79 0.00 -1.04 -1.26 -4.34 114.28 105.71 1upm n THR 243 Ca 0.11 -0.47 -0.04 0.00 -2.04 0.00 0.00 64.05 61.61 1upm n THR 243 Cb 0.44 -1.37 -0.00 0.00 -1.82 0.00 0.00 70.33 67.57 1upm n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upm s ALA 244 N -0.98 -1.54 0.15 2.41 0.00 -1.26 -4.82 121.76 115.71 1upm s ALA 244 Ca 0.58 -0.07 0.21 0.00 0.00 0.00 0.00 51.96 52.67 1upm s ALA 244 Cb -0.62 0.68 0.78 0.00 0.00 0.00 0.00 23.12 23.97 1upm s ALA 244 CO 0.60 -1.05 1.77 0.78 0.00 0.00 0.00 175.76 177.87 1upm h GLY 245 N 2.00 0.00 -3.34 0.00 0.00 -1.96 -3.46 103.07 96.31 1upm h GLY 245 Ca -0.25 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.86 1upm h GLY 245 CO 0.29 0.00 -0.70 -0.51 0.00 0.00 0.00 176.54 175.62 1upm s THR 246 N -3.63 0.62 0.22 4.70 -4.23 -1.26 -5.05 115.64 107.00 1upm s THR 246 Ca 0.00 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1upm s THR 246 Cb 0.11 -1.48 0.16 0.00 1.34 0.00 0.00 72.50 72.62 1upm s THR 246 CO 0.66 -0.81 1.78 0.00 -0.54 0.00 0.00 174.62 175.72 1upm h GLU 248 N 0.58 -0.14 -0.61 0.00 3.07 -1.99 0.11 114.58 115.60 1upm h GLU 248 Ca 0.33 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 1upm h GLU 248 Cb 0.32 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1upm h GLU 248 CO -0.25 -0.09 0.23 -0.44 -1.40 0.00 0.00 179.01 177.05 1upm h ASP 249 N -0.15 0.87 -0.32 1.42 5.19 -1.93 -0.89 116.42 120.61 1upm h ASP 249 Ca 0.17 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1upm h ASP 249 Cb 0.41 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1upm h ASP 249 CO -0.42 0.82 0.21 -0.03 -3.12 0.00 0.00 179.24 176.69 1upm h MET 250 N 0.86 0.42 -0.62 3.56 1.85 -0.93 -2.78 114.93 117.30 1upm h MET 250 Ca 0.20 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.24 1upm h MET 250 Cb 0.24 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.14 1upm h MET 250 CO -0.01 0.29 0.27 0.52 -0.40 0.00 0.00 176.91 177.59 1upm h MET 251 N 0.43 0.89 -0.83 0.39 2.86 -0.47 -2.59 114.93 115.60 1upm h MET 251 Ca 0.12 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1upm h MET 251 Cb -0.03 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.41 1upm h MET 251 CO -0.02 0.71 0.54 0.87 1.06 0.00 0.00 176.91 180.07 1upm h LYS 252 N 0.88 0.90 -0.05 1.72 1.57 -0.90 0.20 116.57 120.89 1upm h LYS 252 Ca 0.21 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.71 1upm h LYS 252 Cb 0.13 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1upm h LYS 252 CO -0.02 0.59 -0.90 0.00 -0.57 0.00 0.00 179.45 178.55 1upm h ARG 253 N 0.93 0.58 -0.49 3.15 3.08 -1.25 -2.41 114.38 117.97 1upm h ARG 253 Ca 0.35 -0.56 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1upm h ARG 253 Cb 0.20 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1upm h ARG 253 CO -0.12 1.18 0.15 0.00 -1.07 0.00 0.00 179.97 180.11 1upm h ALA 254 N 0.63 0.64 -0.62 0.04 0.00 -1.16 -2.22 119.26 116.57 1upm h ALA 254 Ca -0.08 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1upm h ALA 254 Cb 1.53 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 1upm h ALA 254 CO 0.17 0.29 0.22 0.28 0.00 0.00 0.00 179.25 180.21 1upm h VAL 255 N 0.65 0.74 -0.08 0.00 2.07 -0.90 -1.44 116.25 117.30 1upm h VAL 255 Ca 0.16 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 1upm h VAL 255 Cb 0.27 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1upm h VAL 255 CO -0.01 0.07 -0.62 0.15 0.02 0.00 0.00 177.57 177.18 1upm h PHE 256 N 0.39 0.36 -0.59 1.57 3.57 -1.25 -1.73 116.94 119.25 1upm h PHE 256 Ca 0.32 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1upm h PHE 256 Cb 0.41 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1upm h PHE 256 CO -0.18 0.82 0.38 0.00 -2.23 0.00 0.00 178.31 177.10 1upm h ALA 257 N 1.14 0.75 -0.31 2.41 0.00 -1.13 -1.59 119.26 120.52 1upm h ALA 257 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 257 Cb 1.14 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1upm h ALA 257 CO 0.10 0.20 -0.24 -0.09 0.00 0.00 0.00 179.25 179.22 1upm h ARG 258 N 0.80 -0.21 -0.87 0.00 1.12 -0.99 -2.42 114.38 111.82 1upm h ARG 258 Ca 0.21 0.01 0.13 0.00 -1.11 0.00 0.00 59.98 59.22 1upm h ARG 258 Cb -0.06 0.05 -0.07 0.00 -0.01 0.00 0.00 29.97 29.88 1upm h ARG 258 CO -0.04 -0.14 0.56 1.49 -3.11 0.00 0.00 179.97 178.73 1upm h GLU 259 N -0.21 0.72 0.00 0.20 4.81 -1.01 0.71 114.58 119.80 1upm h GLU 259 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1upm h GLU 259 Cb 0.46 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1upm h GLU 259 CO -0.43 0.47 0.00 1.28 -0.73 0.00 0.00 179.01 179.60 1upm n LEU 260 N -4.55 0.13 -0.55 1.64 4.77 -0.63 -4.91 117.00 112.90 1upm n LEU 260 Ca 0.16 0.52 -0.07 0.00 -0.03 0.00 0.00 56.01 56.59 1upm n LEU 260 Cb 0.41 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1upm n LEU 260 CO 0.30 -0.15 -0.07 0.61 -1.33 0.00 0.00 177.39 176.75 1upm n GLY 261 N 0.83 0.92 3.88 -0.72 0.00 0.24 -5.03 105.19 105.32 1upm n GLY 261 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.22 4.74 -0.37 1.61 -7.23 -1.21 -5.02 120.40 110.70 1upm s VAL 262 Ca 0.00 0.74 0.23 0.00 -1.81 0.00 0.00 61.98 61.14 1upm s VAL 262 Cb 0.00 -3.84 0.21 0.00 0.56 0.00 0.00 36.38 33.31 1upm s VAL 262 CO 0.00 -0.99 1.40 1.55 -0.31 0.00 0.00 175.10 176.75 1upm h PRO 263 N 0.04 0.00 -2.44 4.82 0.13 -1.92 -3.46 132.00 129.17 1upm h PRO 263 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1upm h PRO 263 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 1upm h PRO 263 CO 0.62 0.00 -0.14 -1.50 -0.23 0.00 0.00 178.00 176.75 1upm s ILE 264 N -3.27 -0.01 0.51 -3.56 2.07 -1.26 -1.28 121.20 114.40 1upm s ILE 264 Ca 0.04 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 1upm s ILE 264 Cb 0.07 -0.74 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 1upm s ILE 264 CO 0.71 0.01 0.02 0.68 -1.91 0.00 0.00 174.94 174.46 1upm s VAL 265 N 0.88 1.20 0.07 4.00 -7.23 -0.58 -3.22 120.40 115.52 1upm s VAL 265 Ca -0.05 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1upm s VAL 265 Cb -0.05 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1upm s VAL 265 CO -0.07 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.66 1upm s MET 266 N -3.89 0.66 -0.07 4.82 0.23 0.18 -1.07 119.30 120.15 1upm s MET 266 Ca 0.08 -1.13 -0.07 0.00 -1.03 0.00 0.00 55.69 53.53 1upm s MET 266 Cb 0.02 -0.05 0.02 0.00 -1.53 0.00 0.00 34.83 33.29 1upm s MET 266 CO 0.04 -0.04 0.20 -1.58 -2.03 0.00 0.00 175.02 171.61 1upm s HIS 267 N -3.15 -0.21 -0.75 3.16 5.04 -0.56 -1.57 115.29 117.26 1upm s HIS 267 Ca 0.04 0.52 -0.20 0.00 -1.54 0.00 0.00 55.06 53.88 1upm s HIS 267 Cb 0.02 0.07 0.11 0.00 0.04 0.00 0.00 32.58 32.82 1upm s HIS 267 CO -0.05 -0.12 0.95 -0.51 -2.34 0.00 0.00 174.74 172.67 1upm s ASP 268 N 0.02 6.36 0.33 9.88 1.01 -1.26 -1.57 116.67 131.45 1upm s ASP 268 Ca -0.01 -1.55 0.15 0.00 0.71 0.00 0.00 52.55 51.86 1upm s ASP 268 Cb -0.02 -2.37 0.55 0.00 1.01 0.00 0.00 42.92 42.09 1upm s ASP 268 CO 0.00 -1.19 1.69 0.10 0.21 0.00 0.00 175.17 175.98 1upm h TYR 269 N 9.14 0.00 0.14 4.23 -0.00 -1.86 0.12 116.97 128.75 1upm h TYR 269 Ca -0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.27 1upm h TYR 269 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.78 1upm h TYR 269 CO 1.01 0.47 -1.78 -0.07 -0.00 0.00 0.00 178.16 177.80 1upm h LEU 270 N 0.00 0.48 -0.10 0.10 3.38 -1.80 0.10 115.31 117.47 1upm h LEU 270 Ca -0.00 -0.80 -0.24 0.00 0.09 0.00 0.00 57.88 56.93 1upm h LEU 270 Cb 0.97 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1upm h LEU 270 CO 0.06 1.69 -1.01 0.71 0.09 0.00 0.00 178.44 179.98 1upm h THR 271 N 0.08 1.40 -0.05 0.22 1.35 -1.69 -3.22 112.91 111.00 1upm h THR 271 Ca -0.34 -2.54 -0.01 0.00 -0.55 0.00 0.00 66.41 62.97 1upm h THR 271 Cb 2.06 2.52 -0.00 0.00 -1.73 0.00 0.00 68.15 71.00 1upm h THR 271 CO 0.14 0.76 -0.00 1.23 -0.25 0.00 0.00 175.52 177.39 1upm h GLY 272 N 1.19 0.11 0.00 5.82 0.00 -0.93 -3.50 103.07 105.76 1upm h GLY 272 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1upm h GLY 272 CO 0.18 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1upm n GLY 273 N -0.20 2.14 0.15 4.60 0.00 0.02 -4.69 105.19 107.22 1upm n GLY 273 Ca -0.07 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 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 0.97 -0.09 1.61 0.04 -1.89 -0.46 116.94 117.13 1upm h PHE 274 Ca 0.00 -0.68 0.04 0.00 2.80 0.00 0.00 57.97 60.12 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 1.53 -0.17 1.15 -0.60 0.00 0.00 178.31 180.21 1upm h THR 275 N 0.15 0.56 -0.44 -1.55 2.02 -1.94 -1.08 112.91 110.63 1upm h THR 275 Ca -0.23 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1upm h THR 275 Cb 2.07 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1upm h THR 275 CO 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 176.14 1upm h ALA 276 N 0.76 1.16 -0.22 6.16 0.00 -1.83 -2.91 119.26 122.36 1upm h ALA 276 Ca 0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1upm h ALA 276 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1upm h ALA 276 CO -0.23 0.54 -0.44 -0.97 0.00 0.00 0.00 179.25 178.15 1upm h ASN 277 N 0.68 0.60 -0.21 0.00 -0.73 -0.76 -2.35 115.58 112.80 1upm h ASN 277 Ca 0.13 -0.28 -0.03 0.00 1.87 0.00 0.00 56.30 57.99 1upm h ASN 277 Cb 0.43 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 1upm h ASN 277 CO 0.02 0.96 0.01 0.74 -0.37 0.00 0.00 177.43 178.79 1upm h THR 278 N 0.45 1.24 -0.86 -3.57 2.02 -1.15 -0.45 112.91 110.59 1upm h THR 278 Ca 0.03 -0.83 0.21 0.00 0.77 0.00 0.00 66.41 66.60 1upm h THR 278 Cb 0.95 1.37 -0.15 0.00 -1.74 0.00 0.00 68.15 68.58 1upm h THR 278 CO 0.09 0.25 0.03 0.74 0.37 0.00 0.00 175.52 177.00 1upm h THR 279 N 0.14 0.21 0.05 3.16 2.02 -1.46 -0.79 112.91 116.24 1upm h THR 279 Ca 0.06 -0.03 -0.24 0.00 0.77 0.00 0.00 66.41 66.98 1upm h THR 279 Cb 0.37 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1upm h THR 279 CO 0.01 0.02 -1.12 0.25 0.37 0.00 0.00 175.52 175.05 1upm h LEU 280 N 0.08 0.16 -0.34 2.58 5.85 -1.02 -2.23 115.31 120.39 1upm h LEU 280 Ca 0.50 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1upm h LEU 280 Cb 0.95 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1upm h LEU 280 CO -0.77 1.13 0.22 -1.28 -0.34 0.00 0.00 178.44 177.40 1upm h SER 281 N 0.03 0.39 -0.88 1.25 0.87 -0.43 -0.14 113.55 114.64 1upm h SER 281 Ca -0.07 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1upm h SER 281 Cb 1.85 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.67 1upm h SER 281 CO 0.15 0.30 0.49 0.45 -0.53 0.00 0.00 176.83 177.69 1upm h HIS 282 N 0.45 1.20 -0.49 2.24 3.86 -0.96 -2.06 115.15 119.40 1upm h HIS 282 Ca 0.12 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1upm h HIS 282 Cb -0.03 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.03 1upm h HIS 282 CO -0.05 0.83 0.19 -0.92 0.86 0.00 0.00 177.93 178.84 1upm h TYR 283 N 1.23 0.74 -0.50 2.45 3.20 -1.30 -1.27 116.97 121.53 1upm h TYR 283 Ca 0.31 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1upm h TYR 283 Cb 0.01 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1upm h TYR 283 CO 0.01 0.62 -0.03 0.00 -1.64 0.00 0.00 178.16 177.12 1upm h ARG 285 N 0.79 0.57 0.00 0.00 9.65 -1.17 -1.79 114.38 122.43 1upm h ARG 285 Ca 0.14 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1upm h ARG 285 Cb 0.52 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1upm h ARG 285 CO 0.03 0.43 0.00 -0.44 2.80 0.00 0.00 179.97 182.78 1upm h ASP 286 N 0.55 0.00 0.00 -3.80 3.32 -0.87 -3.19 116.42 112.43 1upm h ASP 286 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1upm h ASP 286 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1upm h ASP 286 CO -0.03 0.00 -0.09 0.59 -1.72 0.00 0.00 179.24 177.99 1upm n ASN 287 N -2.85 1.12 -2.03 6.45 3.02 -0.82 -5.02 115.26 115.13 1upm n ASN 287 Ca -0.02 -1.93 -0.20 0.00 -0.03 0.00 0.00 54.58 52.40 1upm n ASN 287 Cb 0.13 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.46 0.27 3.70 7.41 0.00 -0.74 -5.00 105.19 110.37 1upm n GLY 288 Ca 0.03 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.33 4.21 0.34 0.99 1.43 -0.79 -4.96 118.68 114.57 1upm s LEU 289 Ca 0.00 0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 1upm s LEU 289 Cb 0.00 -2.54 -0.12 0.00 0.03 0.00 0.00 46.19 43.56 1upm s LEU 289 CO 0.00 -0.02 1.43 0.18 0.23 0.00 0.00 176.35 178.17 1upm n LEU 290 N 4.06 4.13 -4.09 1.79 7.99 -0.41 -4.63 117.00 125.85 1upm n LEU 290 Ca -0.09 1.20 -0.33 0.00 -0.01 0.00 0.00 56.01 56.78 1upm n LEU 290 Cb 0.51 -1.55 -0.14 0.00 -0.11 0.00 0.00 43.42 42.13 1upm n LEU 290 CO 0.41 -0.13 -0.33 -0.22 -1.51 0.00 0.00 177.39 175.61 1upm s LEU 291 N -1.26 4.37 -0.06 2.23 2.96 -1.26 -1.53 118.68 124.13 1upm s LEU 291 Ca 0.57 -1.75 -0.28 0.00 -0.22 0.00 0.00 54.13 52.45 1upm s LEU 291 Cb -0.53 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1upm s LEU 291 CO 0.60 -0.34 0.92 -2.28 -1.32 0.00 0.00 176.35 173.93 1upm s HIS 292 N 1.08 3.58 -0.16 5.38 5.65 -0.23 -0.63 115.29 129.96 1upm s HIS 292 Ca 0.02 1.55 -0.02 0.00 0.25 0.00 0.00 55.06 56.86 1upm s HIS 292 Cb -0.20 -3.07 -0.02 0.00 -1.18 0.00 0.00 32.58 28.11 1upm s HIS 292 CO -0.05 -0.08 -0.08 0.42 -0.65 0.00 0.00 174.74 174.30 1upm s ILE 293 N 1.37 3.38 -0.12 0.89 -1.09 -0.54 -1.49 121.20 123.60 1upm s ILE 293 Ca 0.47 -0.53 -0.05 0.00 -2.23 0.00 0.00 60.65 58.31 1upm s ILE 293 Cb -0.19 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 1upm s ILE 293 CO 0.22 0.49 0.05 -2.28 -1.23 0.00 0.00 174.94 172.19 1upm s HIS 294 N 0.61 3.29 -0.37 3.97 5.65 -0.61 -2.74 115.29 125.10 1upm s HIS 294 Ca -0.05 0.24 0.08 0.00 0.25 0.00 0.00 55.06 55.57 1upm s HIS 294 Cb -0.15 -1.90 0.69 0.00 -1.18 0.00 0.00 32.58 30.04 1upm s HIS 294 CO 0.03 0.45 1.82 2.89 -0.65 0.00 0.00 174.74 179.27 1upm n ARG 295 N 2.48 2.96 -1.47 2.88 1.85 -1.26 -2.86 116.66 121.25 1upm n ARG 295 Ca -0.18 -3.06 -0.52 0.00 -1.00 0.00 0.00 57.85 53.08 1upm n ARG 295 Cb 0.54 -2.16 -0.05 0.00 -1.05 0.00 0.00 32.46 29.73 1upm n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1upm n ALA 296 N -0.65 -2.86 0.00 2.89 0.00 -1.26 -1.15 120.51 117.48 1upm n ALA 296 Ca 0.48 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.42 1upm n ALA 296 Cb 1.47 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1upm n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1upm n MET 297 N 1.29 0.00 -0.20 0.00 0.00 -1.26 -4.21 117.12 112.75 1upm n MET 297 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.87 1upm n MET 297 Cb 0.18 -0.64 0.10 0.00 0.00 0.00 0.00 33.22 32.86 1upm n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1upm h HIS 298 N 0.00 0.43 0.00 1.12 -0.00 -1.56 -2.51 115.15 112.63 1upm h HIS 298 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1upm h HIS 298 Cb 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1upm h HIS 298 CO 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 177.93 178.05 1upm h ALA 299 N 1.39 1.14 -0.96 6.11 0.00 -1.93 0.38 119.26 125.39 1upm h ALA 299 Ca 0.29 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.34 1upm h ALA 299 Cb 0.32 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1upm h ALA 299 CO -0.27 0.02 0.61 0.28 0.00 0.00 0.00 179.25 179.89 1upm h VAL 300 N 0.00 0.81 0.03 0.00 2.07 -1.87 -2.98 116.25 114.32 1upm h VAL 300 Ca -0.00 -0.27 -0.38 0.00 0.82 0.00 0.00 66.70 66.87 1upm h VAL 300 Cb 0.13 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1upm h VAL 300 CO 0.00 0.14 -2.32 -0.38 0.02 0.00 0.00 177.57 175.03 1upm n ILE 301 N -4.62 1.57 0.31 4.57 5.41 0.12 -4.72 119.36 121.99 1upm n ILE 301 Ca 0.20 -0.62 0.05 0.00 1.00 0.00 0.00 62.75 63.38 1upm n ILE 301 Cb 0.48 -1.43 0.07 0.00 -0.71 0.00 0.00 39.64 38.05 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 -3.28 2.15 -0.03 4.38 5.68 -0.37 -2.23 116.55 122.85 1upm n ASP 302 Ca -0.40 -1.58 -0.14 0.00 -0.50 0.00 0.00 54.79 52.16 1upm n ASP 302 Cb 1.02 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 40.84 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 2.11 0.21 -6.25 0.11 9.65 -1.77 -3.42 114.38 115.01 1upm h ARG 303 Ca 0.00 -0.17 -0.57 0.00 -1.10 0.00 0.00 59.98 58.14 1upm h ARG 303 Cb 0.52 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1upm h ARG 303 CO 0.00 0.83 -0.02 -0.65 2.80 0.00 0.00 179.97 182.93 1upm s GLN 304 N -3.58 4.23 0.37 0.20 -1.52 -1.26 -4.37 119.66 113.73 1upm s GLN 304 Ca -0.15 0.77 0.16 0.00 -1.95 0.00 0.00 55.36 54.19 1upm s GLN 304 Cb 0.02 -3.25 0.73 0.00 -0.22 0.00 0.00 33.01 30.30 1upm s GLN 304 CO 0.74 0.62 1.79 -0.22 -0.25 0.00 0.00 175.29 177.97 1upm h LYS 305 N 4.57 0.00 0.00 2.91 3.64 -1.89 -3.23 116.57 122.57 1upm h LYS 305 Ca -0.49 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 1upm h LYS 305 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1upm h LYS 305 CO 0.64 0.39 -0.56 -2.95 -2.27 0.00 0.00 179.45 174.69 1upm h ASN 306 N 0.00 0.00 -3.67 4.20 -1.07 -1.94 -3.46 115.58 109.63 1upm h ASN 306 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 1upm h ASN 306 Cb 0.77 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 36.78 1upm h ASN 306 CO 0.05 0.26 -0.18 -2.28 0.07 0.00 0.00 177.43 175.34 1upm s HIS 307 N -3.11 -0.58 0.00 4.14 5.04 -1.22 -3.21 115.29 116.35 1upm s HIS 307 Ca 0.03 1.33 0.00 0.00 -1.54 0.00 0.00 55.06 54.88 1upm s HIS 307 Cb 0.07 0.23 0.00 0.00 0.04 0.00 0.00 32.58 32.92 1upm s HIS 307 CO 0.74 -0.29 0.00 0.41 -2.34 0.00 0.00 174.74 173.26 1upm n GLY 308 N 3.29 0.03 3.07 1.59 0.00 -0.29 -4.45 105.19 108.42 1upm n GLY 308 Ca -0.16 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 0.22 0.72 1.61 -1.94 -0.95 -0.84 119.30 118.12 1upm s MET 309 Ca 0.00 0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 54.41 1upm s MET 309 Cb 0.00 -0.11 0.03 0.00 2.01 0.00 0.00 34.83 36.76 1upm s MET 309 CO 0.00 -0.17 1.11 -1.58 -0.01 0.00 0.00 175.02 174.37 1upm s HIS 310 N 1.33 2.52 0.47 -0.03 2.46 -0.29 -3.60 115.29 118.15 1upm s HIS 310 Ca -0.09 1.57 0.17 0.00 0.47 0.00 0.00 55.06 57.17 1upm s HIS 310 Cb -0.10 -3.15 1.15 0.00 -0.13 0.00 0.00 32.58 30.35 1upm s HIS 310 CO -0.09 -1.84 2.05 0.35 -2.47 0.00 0.00 174.74 172.74 1upm h PHE 311 N -0.53 0.00 -0.83 3.88 3.57 -1.92 -1.94 116.94 119.17 1upm h PHE 311 Ca -0.45 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.07 1upm h PHE 311 Cb 1.24 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.94 1upm h PHE 311 CO 0.55 0.12 0.55 0.07 -2.23 0.00 0.00 178.31 177.37 1upm h ARG 312 N 0.00 1.03 -0.30 1.11 0.11 -1.92 0.17 114.38 114.58 1upm h ARG 312 Ca -0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 1upm h ARG 312 Cb 0.22 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 1upm h ARG 312 CO 0.02 0.68 0.05 0.28 0.10 0.00 0.00 179.97 181.09 1upm h VAL 313 N 1.06 1.23 -0.18 0.08 2.07 -1.60 -1.94 116.25 116.97 1upm h VAL 313 Ca 0.33 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1upm h VAL 313 Cb -0.01 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1upm h VAL 313 CO -0.09 0.26 -0.02 -0.07 0.02 0.00 0.00 177.57 177.67 1upm h LEU 314 N 0.31 0.24 -0.25 2.57 3.38 -1.44 -1.67 115.31 118.46 1upm h LEU 314 Ca 0.09 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1upm h LEU 314 Cb 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1upm h LEU 314 CO 0.01 0.31 -0.45 0.00 0.09 0.00 0.00 178.44 178.40 1upm h ALA 315 N 1.72 0.38 -0.75 1.53 0.00 -0.64 -2.52 119.26 118.98 1upm h ALA 315 Ca 0.06 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1upm h ALA 315 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1upm h ALA 315 CO 0.01 0.53 0.30 0.87 0.00 0.00 0.00 179.25 180.95 1upm h LYS 316 N 0.47 1.13 -0.64 0.00 1.57 -1.07 -2.01 116.57 116.02 1upm h LYS 316 Ca 0.01 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1upm h LYS 316 Cb 1.05 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1upm h LYS 316 CO 0.10 0.92 0.33 0.00 -0.57 0.00 0.00 179.45 180.24 1upm h ALA 317 N 1.15 0.82 -0.88 3.86 0.00 -1.31 -2.23 119.26 120.66 1upm h ALA 317 Ca 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1upm h ALA 317 Cb 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1upm h ALA 317 CO -0.02 0.35 0.49 1.25 0.00 0.00 0.00 179.25 181.32 1upm h LEU 318 N 0.87 1.10 -1.26 0.00 7.12 -1.26 -1.89 115.31 119.98 1upm h LEU 318 Ca 0.22 -0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 1upm h LEU 318 Cb 0.07 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 39.90 1upm h LEU 318 CO -0.03 0.88 0.18 -0.09 -0.13 0.00 0.00 178.44 179.25 1upm h ARG 319 N 1.23 0.69 0.21 1.25 2.43 -0.80 0.46 114.38 119.86 1upm h ARG 319 Ca 0.31 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1upm h ARG 319 Cb 0.02 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1upm h ARG 319 CO -0.05 0.58 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.82 1upm h LEU 320 N 0.69 -0.24 -0.06 3.80 3.38 -0.99 -3.31 115.31 118.58 1upm h LEU 320 Ca 0.17 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1upm h LEU 320 Cb 0.15 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1upm h LEU 320 CO -0.01 0.28 -0.36 -1.28 0.09 0.00 0.00 178.44 177.16 1upm h SER 321 N -0.97 -1.11 0.00 -0.43 0.87 -1.37 -2.12 113.55 108.43 1upm h SER 321 Ca -0.03 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1upm h SER 321 Cb 0.45 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1upm h SER 321 CO 0.05 -0.40 0.00 0.61 -0.53 0.00 0.00 176.83 176.55 1upm n GLY 322 N -1.43 4.48 3.60 5.77 0.00 0.15 -4.38 105.19 113.39 1upm n GLY 322 Ca -0.04 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.13 -0.03 -0.02 0.00 -1.25 -4.80 107.32 101.08 1upm s GLY 323 Ca 0.00 2.39 0.14 0.00 0.00 0.00 0.00 44.72 47.25 1upm s GLY 323 CO 0.00 1.21 0.65 1.22 0.00 0.00 0.00 173.10 176.19 1upm n ASP 324 N 0.93 0.79 -4.29 1.64 8.00 0.19 -4.38 116.55 119.44 1upm n ASP 324 Ca -0.08 0.37 -0.25 0.00 0.71 0.00 0.00 54.79 55.54 1upm n ASP 324 Cb 0.58 0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.64 1upm n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1upm s HIS 325 N -2.67 1.88 -0.02 1.24 3.76 -1.07 -1.71 115.29 116.71 1upm s HIS 325 Ca -0.05 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.42 1upm s HIS 325 Cb 0.08 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.72 1upm s HIS 325 CO 0.82 0.20 0.09 -1.50 -0.85 0.00 0.00 174.74 173.50 1upm s ILE 326 N -1.06 0.04 0.16 0.60 2.07 -0.79 -1.46 121.20 120.76 1upm s ILE 326 Ca 0.08 -0.36 -0.31 0.00 -1.41 0.00 0.00 60.65 58.65 1upm s ILE 326 Cb -0.10 -0.25 -0.09 0.00 0.13 0.00 0.00 42.46 42.15 1upm s ILE 326 CO 0.04 -0.20 1.39 -1.00 -1.91 0.00 0.00 174.94 173.26 1upm s HIS 327 N -0.63 3.20 -0.44 3.50 3.76 -1.11 -0.19 115.29 123.38 1upm s HIS 327 Ca -0.07 1.00 0.05 0.00 -0.15 0.00 0.00 55.06 55.89 1upm s HIS 327 Cb -0.04 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 29.95 1upm s HIS 327 CO 0.00 -2.38 0.46 -1.13 -0.85 0.00 0.00 174.74 170.84 1upm n SER 328 N 3.40 0.90 0.00 1.40 3.41 -0.52 -4.77 113.62 117.44 1upm n SER 328 Ca 0.10 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 1upm n SER 328 Cb 0.42 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1upm n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upm n GLY 329 N 0.62 0.34 0.00 5.00 0.00 -1.25 -4.90 105.19 105.00 1upm n GLY 329 Ca 0.02 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.26 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 0.57 0.00 0.00 2.61 -2.24 -1.26 -4.38 114.28 109.58 1upm n THR 330 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1upm n THR 330 Cb 0.00 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.63 0.00 1.20 2.28 0.31 -1.26 -4.40 118.33 114.84 1upm n VAL 331 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.45 1upm n VAL 331 Cb 0.21 0.00 0.36 0.00 -0.91 0.00 0.00 33.84 33.49 1upm n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1upm n VAL 332 N 0.00 0.00 -0.66 2.52 0.24 -1.26 -4.62 118.33 114.55 1upm n VAL 332 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1upm n VAL 332 Cb 0.00 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 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 1.80 0.07 7.63 0.00 -1.26 -4.25 105.19 110.54 1upm n GLY 333 Ca 0.11 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.44 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 0.28 -4.30 1.61 2.85 -0.41 -4.75 118.16 113.44 1upm n LYS 334 Ca 0.00 0.11 -0.25 0.00 -1.05 0.00 0.00 58.31 57.12 1upm n LYS 334 Cb 0.00 -1.70 -0.08 0.00 -0.65 0.00 0.00 35.03 32.59 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 -4.25 3.05 0.36 -5.58 1.43 -1.26 -5.04 118.68 107.39 1upm s LEU 335 Ca 0.07 -0.62 -0.27 0.00 -1.03 0.00 0.00 54.13 52.28 1upm s LEU 335 Cb 0.13 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.60 1upm s LEU 335 CO 0.70 0.06 1.18 -0.70 0.23 0.00 0.00 176.35 177.81 1upm s GLU 336 N -3.19 4.25 -0.30 1.70 2.12 -1.26 -4.67 118.70 117.35 1upm s GLU 336 Ca 0.28 1.89 -0.20 0.00 0.36 0.00 0.00 54.97 57.30 1upm s GLU 336 Cb -0.08 -2.87 0.20 0.00 0.26 0.00 0.00 34.13 31.64 1upm s GLU 336 CO 0.17 -0.16 1.31 0.20 -0.54 0.00 0.00 175.26 176.24 1upm s GLY 337 N -0.96 0.32 0.16 -1.50 0.00 -1.26 -4.86 107.32 99.21 1upm s GLY 337 Ca 0.53 3.71 -0.29 0.00 0.00 0.00 0.00 44.72 48.67 1upm s GLY 337 CO 0.42 3.41 0.92 -0.54 0.00 0.00 0.00 173.10 177.30 1upm s GLU 338 N 2.03 4.72 0.18 2.90 0.41 -1.26 -4.01 118.70 123.67 1upm s GLU 338 Ca 0.01 1.40 -0.19 0.00 -0.41 0.00 0.00 54.97 55.78 1upm s GLU 338 Cb -0.00 -3.33 0.12 0.00 -1.78 0.00 0.00 34.13 29.14 1upm s GLU 338 CO -0.16 0.36 1.62 -0.09 -0.49 0.00 0.00 175.26 176.50 1upm h ARG 339 N 4.96 -0.14 -0.15 1.61 2.43 -1.98 -1.73 114.38 119.39 1upm h ARG 339 Ca -0.44 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.53 1upm h ARG 339 Cb 1.21 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1upm h ARG 339 CO 0.70 -0.09 -0.72 -0.44 -1.51 0.00 0.00 179.97 177.90 1upm h ASP 340 N -0.14 0.89 -0.39 -3.80 3.32 -1.94 -1.47 116.42 112.90 1upm h ASP 340 Ca 0.22 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 1upm h ASP 340 Cb 0.48 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1upm h ASP 340 CO -0.56 1.38 0.23 0.40 -1.72 0.00 0.00 179.24 178.97 1upm h ILE 341 N 0.46 1.12 -0.01 0.35 2.04 -1.73 -2.56 117.51 117.18 1upm h ILE 341 Ca -0.05 -0.29 -0.13 0.00 1.00 0.00 0.00 64.86 65.39 1upm h ILE 341 Cb 1.36 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1upm h ILE 341 CO 0.15 0.13 -0.49 0.74 0.00 0.00 0.00 178.15 178.67 1upm h THR 342 N 0.55 1.45 -0.68 -0.27 2.02 -1.09 -2.53 112.91 112.36 1upm h THR 342 Ca 0.15 -2.00 0.04 0.00 0.77 0.00 0.00 66.41 65.36 1upm h THR 342 Cb -0.00 2.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 1upm h THR 342 CO -0.03 0.58 0.45 -0.07 0.37 0.00 0.00 175.52 176.82 1upm h LEU 343 N -0.18 0.69 0.26 2.58 4.07 -1.25 0.41 115.31 121.89 1upm h LEU 343 Ca -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1upm h LEU 343 Cb 1.21 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1upm h LEU 343 CO 0.10 0.47 -0.13 1.23 -1.08 0.00 0.00 178.44 179.04 1upm h GLY 344 N 0.80 -0.37 1.81 0.83 0.00 -1.26 -2.42 103.07 102.46 1upm h GLY 344 Ca 0.28 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1upm h GLY 344 CO -0.08 -0.13 -0.18 0.27 0.00 0.00 0.00 176.54 176.42 1upm h PHE 345 N -0.41 0.00 -0.31 5.60 -5.15 -1.00 -1.73 116.94 113.94 1upm h PHE 345 Ca -0.04 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.69 1upm h PHE 345 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.47 1upm h PHE 345 CO -0.04 0.00 0.02 0.28 -2.00 0.00 0.00 178.31 176.57 1upm h VAL 346 N 0.00 1.25 -0.75 0.88 2.07 -0.93 -1.99 116.25 116.77 1upm h VAL 346 Ca 0.00 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1upm h VAL 346 Cb 0.95 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1upm h VAL 346 CO 0.00 0.29 0.47 0.44 0.02 0.00 0.00 177.57 178.79 1upm h ASP 347 N 0.35 0.89 0.00 0.57 3.32 -1.15 -1.55 116.42 118.85 1upm h ASP 347 Ca 0.09 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1upm h ASP 347 Cb 0.40 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1upm h ASP 347 CO 0.01 0.67 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.14 1upm h LEU 348 N 1.03 0.00 0.06 1.55 3.38 -1.15 -2.07 115.31 118.11 1upm h LEU 348 Ca 0.27 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.93 1upm h LEU 348 Cb -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1upm h LEU 348 CO -0.05 0.00 -1.75 -0.07 0.09 0.00 0.00 178.44 176.65 1upm h LEU 349 N 0.00 0.21 0.00 1.67 3.38 -0.76 -3.42 115.31 116.39 1upm h LEU 349 Ca -0.00 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 1upm h LEU 349 Cb 0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1upm h LEU 349 CO 0.00 1.36 -2.13 0.54 0.09 0.00 0.00 178.44 178.30 1upm n ARG 350 N -3.27 0.67 -3.87 1.13 1.74 -0.64 -1.45 116.66 110.97 1upm n ARG 350 Ca -0.21 -0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 56.53 1upm n ARG 350 Cb 1.05 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 30.92 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 -4.92 5.19 0.27 0.55 1.01 -0.79 -4.51 116.67 113.48 1upm s ASP 351 Ca -0.09 -0.54 0.24 0.00 0.71 0.00 0.00 52.55 52.87 1upm s ASP 351 Cb 0.11 -0.94 0.35 0.00 1.01 0.00 0.00 42.92 43.45 1upm s ASP 351 CO 0.88 -0.34 1.44 -0.78 0.21 0.00 0.00 175.17 176.58 1upm h ASP 352 N 1.30 0.00 -3.18 0.27 3.58 -1.91 -3.45 116.42 113.04 1upm h ASP 352 Ca -0.45 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 56.84 1upm h ASP 352 Cb 1.25 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 42.04 1upm h ASP 352 CO 0.59 0.02 -0.30 -0.47 -2.88 0.00 0.00 179.24 176.20 1upm s TYR 353 N -3.22 -0.62 -0.08 0.28 5.04 -1.26 -1.40 117.35 116.10 1upm s TYR 353 Ca 0.06 1.30 -0.00 0.00 -2.44 0.00 0.00 57.07 55.99 1upm s TYR 353 Cb 0.09 0.27 0.02 0.00 0.35 0.00 0.00 41.96 42.70 1upm s TYR 353 CO 0.70 -0.35 -0.05 0.99 -1.34 0.00 0.00 175.55 175.50 1upm s THR 354 N 1.48 0.70 0.31 4.34 2.01 -0.34 -5.01 115.64 119.12 1upm s THR 354 Ca -0.09 -0.13 -0.27 0.00 0.31 0.00 0.00 61.69 61.51 1upm s THR 354 Cb -0.09 -0.76 -0.10 0.00 0.01 0.00 0.00 72.50 71.57 1upm s THR 354 CO -0.13 0.30 0.97 -0.70 -0.69 0.00 0.00 174.62 174.37 1upm s GLU 355 N 1.49 4.61 -0.07 4.92 2.12 -1.26 -0.85 118.70 129.67 1upm s GLU 355 Ca -0.01 1.43 -0.37 0.00 0.36 0.00 0.00 54.97 56.38 1upm s GLU 355 Cb -0.13 -2.93 -0.18 0.00 0.26 0.00 0.00 34.13 31.15 1upm s GLU 355 CO -0.04 0.29 1.03 1.17 -0.54 0.00 0.00 175.26 177.17 1upm n LYS 356 N 0.78 0.00 -3.12 4.30 4.81 -1.25 -4.78 118.16 118.91 1upm n LYS 356 Ca 0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.41 1upm n LYS 356 Cb 0.49 -1.34 -0.02 0.00 0.02 0.00 0.00 35.03 34.18 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 0.40 -1.05 0.55 3.14 -1.08 0.20 -4.97 116.67 113.86 1upm s ASP 357 Ca 0.83 -1.23 0.29 0.00 -0.52 0.00 0.00 52.55 51.92 1upm s ASP 357 Cb -1.17 1.68 1.59 0.00 -1.46 0.00 0.00 42.92 43.57 1upm s ASP 357 CO 0.54 -0.15 2.13 0.03 0.52 0.00 0.00 175.17 178.25 1upm h ARG 358 N 6.42 0.00 0.00 4.34 2.47 -1.92 -0.01 114.38 125.67 1upm h ARG 358 Ca 0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1upm h ARG 358 Cb 1.14 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1upm h ARG 358 CO 0.10 0.08 -0.12 0.66 0.56 0.00 0.00 179.97 181.24 1upm h SER 359 N 0.00 0.00 -0.47 7.04 4.64 -1.96 -1.75 113.55 121.05 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 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1upm h SER 359 CO 0.01 0.12 0.00 0.54 -0.87 0.00 0.00 176.83 176.63 1upm n ARG 360 N -3.41 3.44 -1.09 4.77 1.74 -0.08 -4.75 116.66 117.27 1upm n ARG 360 Ca -0.01 -2.73 -0.03 0.00 -0.77 0.00 0.00 57.85 54.31 1upm n ARG 360 Cb 0.30 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 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 0.48 0.62 3.42 -0.13 0.00 -0.66 -4.39 105.19 104.54 1upm n GLY 361 Ca 0.22 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.05 4.59 -0.25 -0.61 1.01 -0.82 -4.92 121.20 118.16 1upm s ILE 362 Ca 0.00 -0.64 0.21 0.00 0.00 0.00 0.00 60.65 60.23 1upm s ILE 362 Cb 0.00 -4.56 0.24 0.00 0.01 0.00 0.00 42.46 38.15 1upm s ILE 362 CO 0.00 -1.25 1.60 1.88 0.00 0.00 0.00 174.94 177.18 1upm h TYR 363 N 9.34 0.00 -3.94 3.97 -1.99 -1.93 0.61 116.97 123.04 1upm h TYR 363 Ca -0.29 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.18 1upm h TYR 363 Cb 1.08 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 39.58 1upm h TYR 363 CO 0.89 0.19 -0.73 -0.06 -0.00 0.00 0.00 178.16 178.45 1upm s PHE 364 N -3.20 0.49 0.20 4.88 0.08 -1.26 -4.90 117.98 114.26 1upm s PHE 364 Ca 0.05 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 1upm s PHE 364 Cb 0.07 -0.30 -0.09 0.00 -0.57 0.00 0.00 43.02 42.13 1upm s PHE 364 CO 0.68 -0.08 1.31 0.99 -0.10 0.00 0.00 175.22 178.02 1upm s THR 365 N -1.03 3.19 -0.08 0.64 2.01 -1.26 -3.82 115.64 115.29 1upm s THR 365 Ca -0.08 0.98 -0.00 0.00 0.31 0.00 0.00 61.69 62.90 1upm s THR 365 Cb -0.08 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1upm s THR 365 CO -0.00 0.15 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.45 1upm s GLN 366 N -0.12 1.01 0.07 4.92 2.00 -0.03 -4.87 119.66 122.64 1upm s GLN 366 Ca 0.57 -0.09 0.03 0.00 -2.00 0.00 0.00 55.36 53.88 1upm s GLN 366 Cb -0.37 -1.15 -0.04 0.00 0.80 0.00 0.00 33.01 32.26 1upm s GLN 366 CO 0.38 -0.21 0.04 -1.12 -0.50 0.00 0.00 175.29 173.88 1upm s SER 367 N 1.54 5.31 0.00 6.67 0.01 -1.26 -1.20 113.70 124.78 1upm s SER 367 Ca -0.00 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.21 1upm s SER 367 Cb -0.13 -1.37 0.01 0.00 0.21 0.00 0.00 66.02 64.74 1upm s SER 367 CO -0.04 0.19 0.52 0.79 0.41 0.00 0.00 173.24 175.10 1upm n TRP 368 N 0.61 0.00 -4.14 2.43 7.02 -0.49 -4.71 117.44 118.15 1upm n TRP 368 Ca -0.10 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.03 1upm n TRP 368 Cb 0.52 0.00 -0.05 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 0.00 -1.47 -0.99 -0.99 0.24 -1.26 -0.45 118.33 113.41 1upm n VAL 369 Ca 0.01 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1upm n VAL 369 Cb 0.04 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 1upm n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1upm n SER 370 N -2.36 -4.91 -4.53 -1.34 7.64 -1.26 -4.99 113.62 101.86 1upm n SER 370 Ca -0.23 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.08 1upm n SER 370 Cb 0.60 -2.56 -0.07 0.00 -1.01 0.00 0.00 64.21 61.16 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 -2.29 0.00 -1.51 0.44 -1.04 0.41 -4.88 114.28 105.41 1upm n THR 371 Ca 0.00 -0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1upm n THR 371 Cb 0.34 -0.26 0.06 0.00 -1.82 0.00 0.00 70.33 68.65 1upm n THR 371 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1upm n PRO 372 N 1.88 0.70 -3.16 -2.82 -0.02 -1.26 -4.91 135.00 125.41 1upm n PRO 372 Ca 0.20 0.29 -0.32 0.00 -2.02 0.00 0.00 63.50 61.64 1upm n PRO 372 Cb 0.11 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 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 -1.39 2.26 -0.13 -1.23 0.00 -1.26 -4.66 107.32 100.91 1upm s GLY 373 Ca 0.75 -0.07 -0.13 0.00 0.00 0.00 0.00 44.72 45.27 1upm s GLY 373 CO 0.49 0.12 0.28 0.14 0.00 0.00 0.00 173.10 174.13 1upm s VAL 374 N -2.01 5.29 -0.13 1.40 1.01 -0.53 -1.89 120.40 123.54 1upm s VAL 374 Ca 0.52 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.74 1upm s VAL 374 Cb -0.10 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1upm s VAL 374 CO 0.20 0.46 1.20 -0.22 0.00 0.00 0.00 175.10 176.74 1upm s LEU 375 N -0.02 4.21 0.21 3.92 2.96 -0.69 -4.23 118.68 125.03 1upm s LEU 375 Ca 0.17 1.68 -0.30 0.00 -0.22 0.00 0.00 54.13 55.47 1upm s LEU 375 Cb -0.13 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 1upm s LEU 375 CO 0.05 -0.67 1.07 -2.16 -1.32 0.00 0.00 176.35 173.32 1upm s PRO 376 N 2.96 4.65 -0.18 0.98 0.04 -1.26 -1.88 135.00 140.30 1upm s PRO 376 Ca 0.53 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 1upm s PRO 376 Cb -0.22 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 1upm s PRO 376 CO 0.16 0.18 -0.10 0.08 0.04 0.00 0.00 177.00 177.36 1upm s VAL 377 N -0.62 3.05 -0.31 -0.36 1.01 0.73 -1.01 120.40 122.88 1upm s VAL 377 Ca 0.47 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1upm s VAL 377 Cb -0.29 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1upm s VAL 377 CO 0.36 0.48 0.21 0.00 0.00 0.00 0.00 175.10 176.15 1upm s ALA 378 N 1.03 3.48 -0.02 5.51 0.00 0.15 -1.44 121.76 130.48 1upm s ALA 378 Ca -0.00 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.53 1upm s ALA 378 Cb -0.15 -2.55 0.03 0.00 0.00 0.00 0.00 23.12 20.44 1upm s ALA 378 CO -0.02 -0.80 0.33 0.45 0.00 0.00 0.00 175.76 175.72 1upm s SER 379 N 1.72 -0.22 0.00 0.00 0.15 -1.26 -0.88 113.70 113.22 1upm s SER 379 Ca 0.06 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1upm s SER 379 Cb -0.17 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1upm s SER 379 CO 0.10 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1upm n GLY 380 N 1.32 1.70 1.85 9.45 0.00 -1.26 -4.58 105.19 113.68 1upm n GLY 380 Ca -0.21 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 0.09 0.53 3.69 -0.02 0.00 -1.26 -1.29 105.19 106.93 1upm n GLY 381 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.24 3.15 0.38 -0.61 -4.36 -1.26 -4.29 121.20 111.97 1upm s ILE 382 Ca 0.00 -1.80 -0.14 0.00 -0.26 0.00 0.00 60.65 58.45 1upm s ILE 382 Cb 0.00 -2.92 0.05 0.00 1.25 0.00 0.00 42.46 40.84 1upm s ILE 382 CO 0.00 -0.26 0.74 -1.38 0.24 0.00 0.00 174.94 174.29 1upm s HIS 383 N -2.40 0.23 0.27 1.37 -3.43 -1.26 -4.39 115.29 105.69 1upm s HIS 383 Ca 0.35 -0.84 0.01 0.00 -0.80 0.00 0.00 55.06 53.77 1upm s HIS 383 Cb -0.04 0.71 0.59 0.00 -1.43 0.00 0.00 32.58 32.41 1upm s HIS 383 CO 0.21 -1.50 1.76 -0.39 -2.00 0.00 0.00 174.74 172.82 1upm h VAL 384 N 2.02 0.70 0.00 -5.38 -1.51 -1.91 -1.34 116.25 108.82 1upm h VAL 384 Ca -0.31 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 64.92 1upm h VAL 384 Cb 1.25 0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1upm h VAL 384 CO 0.40 0.11 -0.09 -0.50 -1.23 0.00 0.00 177.57 176.26 1upm h TRP 385 N 0.63 0.00 0.00 5.19 4.06 -1.94 -1.06 115.95 122.82 1upm h TRP 385 Ca 0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.44 1upm h TRP 385 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.89 1upm h TRP 385 CO -0.08 0.09 0.00 0.72 -3.56 0.00 0.00 178.44 175.61 1upm n HIS 386 N -3.74 0.00 -0.05 0.49 8.25 -0.51 -4.34 115.22 115.32 1upm n HIS 386 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 1upm n HIS 386 Cb 0.20 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 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 0.29 -0.44 -0.41 -1.53 -1.26 -1.58 114.93 110.00 1upm h MET 387 Ca 0.00 -0.02 0.08 0.00 -3.44 0.00 0.00 59.70 56.31 1upm h MET 387 Cb 0.20 -0.06 -0.07 0.00 -0.55 0.00 0.00 31.60 31.12 1upm h MET 387 CO 0.00 0.23 0.03 -1.35 0.14 0.00 0.00 176.91 175.96 1upm h PRO 388 N 0.26 0.14 -0.48 0.39 0.11 -1.81 -0.16 132.00 130.47 1upm h PRO 388 Ca 0.08 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 1upm h PRO 388 Cb 0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1upm h PRO 388 CO -0.01 0.10 -0.08 0.00 -0.21 0.00 0.00 178.00 177.79 1upm h ALA 389 N 1.37 0.65 -0.55 -0.75 0.00 -1.73 -1.33 119.26 116.92 1upm h ALA 389 Ca 0.22 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1upm h ALA 389 Cb 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1upm h ALA 389 CO -0.33 0.53 0.30 -0.07 0.00 0.00 0.00 179.25 179.67 1upm h LEU 390 N 0.74 0.45 -0.78 0.00 3.38 -0.81 1.00 115.31 119.29 1upm h LEU 390 Ca 0.12 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1upm h LEU 390 Cb 0.62 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1upm h LEU 390 CO 0.04 0.31 0.10 0.74 0.09 0.00 0.00 178.44 179.73 1upm h THR 391 N 0.58 1.26 -0.45 0.22 2.02 -0.88 -1.76 112.91 113.90 1upm h THR 391 Ca 0.24 -1.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.32 1upm h THR 391 Cb 0.11 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1upm h THR 391 CO -0.14 0.37 -0.11 -0.08 0.37 0.00 0.00 175.52 175.93 1upm h GLU 392 N 0.96 0.86 -0.08 6.66 4.22 -1.04 -1.76 114.58 124.41 1upm h GLU 392 Ca 0.19 -0.33 -0.04 0.00 0.08 0.00 0.00 59.36 59.27 1upm h GLU 392 Cb 0.41 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1upm h GLU 392 CO 0.01 0.97 -0.09 0.82 -2.18 0.00 0.00 179.01 178.54 1upm h ILE 393 N 0.70 1.38 0.00 2.32 2.04 -0.63 -3.38 117.51 119.94 1upm h ILE 393 Ca 0.11 -1.28 -0.34 0.00 1.00 0.00 0.00 64.86 64.35 1upm h ILE 393 Cb 0.65 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.72 1upm h ILE 393 CO 0.04 0.36 -2.15 0.49 0.00 0.00 0.00 178.15 176.89 1upm n PHE 394 N -4.68 0.34 -4.37 1.37 3.72 -0.68 -5.03 117.46 108.14 1upm n PHE 394 Ca -0.07 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1upm n PHE 394 Cb 0.32 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 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 1.68 -1.52 0.27 1.37 0.00 -0.66 -4.39 105.19 101.94 1upm n GLY 395 Ca -0.27 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.54 -1.04 1.61 3.32 -1.89 -3.32 116.42 115.64 1upm h ASP 396 Ca 0.00 0.04 -0.73 0.00 0.02 0.00 0.00 57.03 56.36 1upm h ASP 396 Cb 0.00 -0.06 -0.12 0.00 0.22 0.00 0.00 39.33 39.37 1upm h ASP 396 CO 0.00 0.33 2.27 0.47 -1.72 0.00 0.00 179.24 180.60 1upm n ASP 397 N -4.80 4.74 -3.63 6.45 8.00 -1.26 -2.54 116.55 123.51 1upm n ASP 397 Ca 0.10 -3.00 -0.11 0.00 0.71 0.00 0.00 54.79 52.50 1upm n ASP 397 Cb 0.22 -1.57 -0.04 0.00 -0.02 0.00 0.00 41.12 39.71 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 0.27 -0.12 -2.24 1.04 -1.25 -4.24 113.70 109.30 1upm s SER 398 Ca 0.44 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.74 1upm s SER 398 Cb 0.09 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.85 1upm s SER 398 CO -0.02 -1.25 -0.23 -0.69 0.98 0.00 0.00 173.24 172.03 1upm s VAL 399 N -3.50 2.05 -0.27 5.02 1.01 -0.18 -1.21 120.40 123.32 1upm s VAL 399 Ca 0.25 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1upm s VAL 399 Cb -0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1upm s VAL 399 CO 0.13 0.55 0.15 -0.76 0.00 0.00 0.00 175.10 175.18 1upm s LEU 400 N 0.59 3.86 -0.11 3.92 1.02 0.12 0.35 118.68 128.43 1upm s LEU 400 Ca -0.13 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 53.93 1upm s LEU 400 Cb -0.17 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 1upm s LEU 400 CO 0.03 -0.06 -0.17 -1.10 0.02 0.00 0.00 176.35 175.08 1upm s GLN 401 N 1.71 3.21 -0.43 1.70 -0.21 -0.05 -1.42 119.66 124.16 1upm s GLN 401 Ca 0.07 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.73 1upm s GLN 401 Cb -0.16 -2.51 0.12 0.00 1.00 0.00 0.00 33.01 31.46 1upm s GLN 401 CO 0.08 0.24 0.17 -0.06 -2.12 0.00 0.00 175.29 173.60 1upm s PHE 402 N 0.25 3.13 0.00 0.91 0.08 -0.77 -4.26 117.98 117.33 1upm s PHE 402 Ca -0.11 -2.90 0.00 0.00 0.12 0.00 0.00 56.93 54.03 1upm s PHE 402 Cb -0.16 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1upm s PHE 402 CO 0.06 -0.83 0.01 0.41 -0.10 0.00 0.00 175.22 174.77 1upm n GLY 403 N 3.73 1.71 0.33 4.36 0.00 -1.26 -2.99 105.19 111.06 1upm n GLY 403 Ca 0.04 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.32 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 1.91 1.71 -0.02 0.00 -1.94 0.14 103.07 104.88 1upm h GLY 404 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1upm h GLY 404 CO 0.00 -0.68 0.00 0.61 0.00 0.00 0.00 176.54 176.47 1upm n GLY 405 N -1.34 -0.80 0.65 4.60 0.00 -1.26 0.20 105.19 107.24 1upm n GLY 405 Ca 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.36 0.37 1.53 2.61 -1.04 -0.05 -4.68 114.28 111.66 1upm n THR 406 Ca 0.05 -0.10 0.15 0.00 -2.04 0.00 0.00 64.05 62.11 1upm n THR 406 Cb 0.12 -1.43 0.68 0.00 -1.82 0.00 0.00 70.33 67.88 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 -3.19 0.44 -0.82 -4.42 4.32 0.28 -2.59 117.00 111.04 1upm n LEU 407 Ca -0.13 -0.02 0.10 0.00 -0.02 0.00 0.00 56.01 55.94 1upm n LEU 407 Cb 0.60 -0.14 0.28 0.00 -1.62 0.00 0.00 43.42 42.54 1upm n LEU 407 CO 0.02 0.08 0.73 0.61 -1.22 0.00 0.00 177.39 177.60 1upm n GLY 408 N 1.22 0.95 3.75 -0.72 0.00 0.13 -4.93 105.19 105.60 1upm n GLY 408 Ca 0.17 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.59 3.62 0.56 1.61 5.04 -1.07 -4.93 115.29 118.54 1upm s HIS 409 Ca 0.34 1.69 0.25 0.00 -1.54 0.00 0.00 55.06 55.80 1upm s HIS 409 Cb 0.19 -3.25 1.51 0.00 0.04 0.00 0.00 32.58 31.06 1upm s HIS 409 CO 0.27 -0.48 2.07 -1.00 -2.34 0.00 0.00 174.74 173.26 1upm h PRO 410 N 4.23 0.00 -0.60 2.88 0.13 -1.92 -2.08 132.00 134.65 1upm h PRO 410 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1upm h PRO 410 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1upm h PRO 410 CO 0.69 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.37 1upm n TRP 411 N -4.11 0.80 0.00 1.56 8.01 -1.26 -5.09 117.44 117.34 1upm n TRP 411 Ca 0.03 -0.40 0.00 0.00 -1.31 0.00 0.00 57.50 55.83 1upm n TRP 411 Cb 0.38 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.68 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 1.60 0.19 0.34 6.99 0.00 -0.78 -4.67 105.19 108.85 1upm n GLY 412 Ca 0.22 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 1.06 0.35 1.61 4.21 -1.87 -1.22 115.58 119.72 1upm h ASN 413 Ca 0.00 -0.11 -0.02 0.00 1.21 0.00 0.00 56.30 57.38 1upm h ASN 413 Cb 0.00 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 36.93 1upm h ASN 413 CO 0.00 0.87 -0.17 0.00 -1.29 0.00 0.00 177.43 176.84 1upm h ALA 414 N 1.24 -0.47 -0.68 -0.83 0.00 -1.85 -1.08 119.26 115.59 1upm h ALA 414 Ca 0.29 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1upm h ALA 414 Cb 0.05 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1upm h ALA 414 CO -0.04 -0.66 0.45 -1.35 0.00 0.00 0.00 179.25 177.64 1upm h PRO 415 N -0.68 0.80 -0.52 0.00 0.11 -1.82 -0.53 132.00 129.36 1upm h PRO 415 Ca -0.05 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.06 1upm h PRO 415 Cb 0.48 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.36 1upm h PRO 415 CO 0.08 0.53 0.27 0.78 -0.21 0.00 0.00 178.00 179.44 1upm h GLY 416 N 0.82 0.74 0.80 -0.55 0.00 -0.92 -1.82 103.07 102.13 1upm h GLY 416 Ca 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1upm h GLY 416 CO -0.07 0.11 -0.08 0.00 0.00 0.00 0.00 176.54 176.50 1upm h ALA 417 N 1.28 0.27 -0.62 3.60 0.00 -0.19 -2.53 119.26 121.07 1upm h ALA 417 Ca 0.23 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1upm h ALA 417 Cb 0.14 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1upm h ALA 417 CO -0.16 0.09 0.14 0.28 0.00 0.00 0.00 179.25 179.60 1upm h VAL 418 N 0.10 0.63 -0.18 0.00 2.07 -0.59 -0.65 116.25 117.63 1upm h VAL 418 Ca 0.05 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1upm h VAL 418 Cb 0.56 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1upm h VAL 418 CO 0.03 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.65 1upm h ALA 419 N 1.50 0.15 -0.51 1.67 0.00 -1.22 0.21 119.26 121.05 1upm h ALA 419 Ca 0.33 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1upm h ALA 419 Cb 0.50 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1upm h ALA 419 CO -0.41 -0.45 -0.00 -0.91 0.00 0.00 0.00 179.25 177.48 1upm h ASN 420 N 0.04 0.83 -0.14 0.00 -0.26 -1.06 -0.91 115.58 114.09 1upm h ASN 420 Ca 0.09 -0.21 -0.09 0.00 -0.56 0.00 0.00 56.30 55.52 1upm h ASN 420 Cb 0.11 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1upm h ASN 420 CO -0.16 0.90 -0.27 -0.09 -1.06 0.00 0.00 177.43 176.75 1upm h ARG 421 N 0.80 0.43 -0.66 0.81 9.65 -0.51 -2.03 114.38 122.87 1upm h ARG 421 Ca 0.15 -0.28 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 1upm h ARG 421 Cb 0.48 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.06 1upm h ARG 421 CO 0.02 0.88 0.43 0.28 2.80 0.00 0.00 179.97 184.38 1upm h VAL 422 N 0.03 1.13 -0.46 0.20 2.07 -0.60 -1.42 116.25 117.21 1upm h VAL 422 Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1upm h VAL 422 Cb 0.87 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1upm h VAL 422 CO 0.06 0.16 0.27 0.00 0.02 0.00 0.00 177.57 178.08 1upm h ALA 423 N 1.27 0.58 -0.39 1.67 0.00 -1.12 -0.78 119.26 120.49 1upm h ALA 423 Ca 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1upm h ALA 423 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1upm h ALA 423 CO -0.08 0.08 -0.15 1.25 0.00 0.00 0.00 179.25 180.35 1upm h LEU 424 N 0.61 0.80 -0.87 0.00 5.85 -1.10 -2.03 115.31 118.58 1upm h LEU 424 Ca 0.16 -0.39 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 1upm h LEU 424 Cb 0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1upm h LEU 424 CO -0.03 1.01 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.64 1upm h GLU 425 N 0.59 0.72 -0.49 1.25 5.08 -1.11 -1.15 114.58 119.48 1upm h GLU 425 Ca 0.09 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1upm h GLU 425 Cb 0.69 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1upm h GLU 425 CO 0.05 0.81 0.28 0.00 -1.00 0.00 0.00 179.01 179.15 1upm h ALA 426 N 1.22 0.62 -0.53 3.43 0.00 -1.03 0.23 119.26 123.21 1upm h ALA 426 Ca 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 426 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1upm h ALA 426 CO 0.04 -0.04 0.27 0.00 0.00 0.00 0.00 179.25 179.51 1upm h VAL 428 N 0.71 1.20 -0.21 0.00 2.07 -0.93 -0.12 116.25 118.97 1upm h VAL 428 Ca 0.18 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1upm h VAL 428 Cb 0.10 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1upm h VAL 428 CO -0.03 0.19 -0.02 -0.61 0.02 0.00 0.00 177.57 177.12 1upm h GLN 429 N 0.02 0.04 -0.24 1.57 4.15 -0.94 -1.54 115.11 118.17 1upm h GLN 429 Ca 0.04 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.48 1upm h GLN 429 Cb 0.26 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1upm h GLN 429 CO 0.00 0.03 0.10 0.00 -1.93 0.00 0.00 178.83 177.03 1upm h ALA 430 N 1.19 0.28 -0.59 3.38 0.00 -1.24 -0.37 119.26 121.91 1upm h ALA 430 Ca 0.10 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1upm h ALA 430 Cb 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1upm h ALA 430 CO -0.19 -0.31 0.18 -0.09 0.00 0.00 0.00 179.25 178.85 1upm h ARG 431 N 0.22 0.33 -0.07 0.00 2.43 -0.88 -1.86 114.38 114.55 1upm h ARG 431 Ca 0.10 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1upm h ARG 431 Cb 0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1upm h ARG 431 CO -0.08 0.22 -0.51 -0.91 -1.51 0.00 0.00 179.97 177.18 1upm h ASN 432 N 0.34 0.21 0.00 -3.80 -0.26 -0.84 -0.67 115.58 110.55 1upm h ASN 432 Ca 0.30 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1upm h ASN 432 Cb 0.41 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1upm h ASN 432 CO -0.34 0.68 0.00 -0.62 -1.06 0.00 0.00 177.43 176.09 1upm n GLU 433 N -3.94 0.86 0.00 0.81 1.02 -0.19 -4.92 120.64 114.27 1upm n GLU 433 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1upm n GLU 433 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.70 0.26 3.76 0.62 0.00 -0.26 -5.06 105.19 105.22 1upm n GLY 434 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.94 2.60 -0.36 1.61 0.52 -0.74 -4.99 118.95 116.66 1upm s ARG 435 Ca 0.00 1.47 -0.14 0.00 -0.52 0.00 0.00 55.73 56.53 1upm s ARG 435 Cb 0.00 -1.92 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 1upm s ARG 435 CO 0.00 -1.42 0.31 0.34 0.02 0.00 0.00 175.30 174.56 1upm s ASP 436 N -2.48 6.12 0.16 0.23 -1.08 -1.26 -4.36 116.67 114.01 1upm s ASP 436 Ca 0.68 -0.46 -0.08 0.00 -0.52 0.00 0.00 52.55 52.17 1upm s ASP 436 Cb -0.22 -2.17 0.01 0.00 -1.46 0.00 0.00 42.92 39.08 1upm s ASP 436 CO 0.43 -0.34 1.48 -0.07 0.52 0.00 0.00 175.17 177.18 1upm h LEU 437 N 8.67 0.87 -0.72 -1.34 3.38 -1.94 0.39 115.31 124.62 1upm h LEU 437 Ca -0.30 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.29 1upm h LEU 437 Cb 1.14 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1upm h LEU 437 CO 0.69 1.20 0.43 0.00 0.09 0.00 0.00 178.44 180.84 1upm h ALA 438 N 0.83 0.96 0.04 1.53 0.00 -1.93 -2.32 119.26 118.38 1upm h ALA 438 Ca 0.04 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 1upm h ALA 438 Cb 1.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1upm h ALA 438 CO 0.10 0.16 -1.87 0.54 0.00 0.00 0.00 179.25 178.18 1upm n ARG 439 N -4.71 0.68 -0.22 0.00 1.74 -0.98 -4.37 116.66 108.81 1upm n ARG 439 Ca 0.09 0.26 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 1upm n ARG 439 Cb 0.14 -1.74 0.21 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.18 2.48 -0.21 5.56 1.02 0.13 -4.73 120.64 121.71 1upm n GLU 440 Ca -0.24 -2.19 -0.11 0.00 -0.02 0.00 0.00 57.16 54.60 1upm n GLU 440 Cb 1.06 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.99 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 3.33 -0.76 1.65 0.62 0.00 -1.57 0.20 103.07 106.55 1upm h GLY 441 Ca 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 47.33 47.97 1upm h GLY 441 CO 0.00 -0.11 0.05 3.43 0.00 0.00 0.00 176.54 179.91 1upm h ASN 442 N -0.27 0.41 -0.01 0.19 -0.26 -1.87 -1.68 115.58 112.09 1upm h ASN 442 Ca 0.13 -0.06 -0.17 0.00 -0.56 0.00 0.00 56.30 55.64 1upm h ASN 442 Cb 0.56 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1upm h ASN 442 CO -0.69 0.44 -0.59 0.74 -1.06 0.00 0.00 177.43 176.27 1upm h THR 443 N 0.44 1.32 0.07 2.81 2.02 -1.54 -0.87 112.91 117.15 1upm h THR 443 Ca 0.10 -1.84 -0.00 0.00 0.77 0.00 0.00 66.41 65.43 1upm h THR 443 Cb 0.22 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1upm h THR 443 CO 0.00 0.58 -0.03 0.40 0.37 0.00 0.00 175.52 176.84 1upm h ILE 444 N 0.46 1.00 -0.44 3.11 2.04 -0.15 -0.31 117.51 123.21 1upm h ILE 444 Ca -0.00 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.68 1upm h ILE 444 Cb 1.16 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1upm h ILE 444 CO 0.11 0.05 0.21 0.40 0.00 0.00 0.00 178.15 178.93 1upm h ILE 445 N -0.19 0.95 -0.51 -0.67 1.08 -1.37 -2.61 117.51 114.19 1upm h ILE 445 Ca -0.01 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1upm h ILE 445 Cb 0.16 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 1upm h ILE 445 CO 0.01 0.08 0.33 -0.09 -0.69 0.00 0.00 178.15 177.79 1upm h ARG 446 N 0.42 0.65 -0.96 2.37 9.65 -1.04 -1.95 114.38 123.52 1upm h ARG 446 Ca 0.19 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.07 1upm h ARG 446 Cb 0.12 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.49 1upm h ARG 446 CO -0.15 0.43 0.63 0.93 2.80 0.00 0.00 179.97 184.61 1upm h GLU 447 N 0.67 1.17 -0.04 0.20 5.08 -0.74 -2.72 114.58 118.21 1upm h GLU 447 Ca 0.19 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1upm h GLU 447 Cb -0.06 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 1upm h GLU 447 CO -0.05 0.77 -0.43 0.00 -1.00 0.00 0.00 179.01 178.30 1upm h ALA 448 N 1.40 1.22 0.00 3.43 0.00 -1.01 -2.54 119.26 121.76 1upm h ALA 448 Ca 0.39 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1upm h ALA 448 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1upm h ALA 448 CO -0.13 0.56 -0.00 1.79 0.00 0.00 0.00 179.25 181.47 1upm h THR 449 N 0.07 0.05 0.00 0.00 1.35 -1.07 -1.54 112.91 111.76 1upm h THR 449 Ca 0.00 -0.09 -0.04 0.00 -0.55 0.00 0.00 66.41 65.73 1upm h THR 449 Cb 0.79 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1upm h THR 449 CO 0.06 0.00 -0.18 0.11 -0.25 0.00 0.00 175.52 175.26 1upm h LYS 450 N 0.00 0.00 0.00 4.72 1.79 -1.50 -3.29 116.57 118.29 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 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1upm h LYS 450 CO 0.00 0.18 -0.22 -2.67 -1.08 0.00 0.00 179.45 175.66 1upm n TRP 451 N -3.34 0.00 -3.89 -1.35 4.27 -0.91 -4.91 117.44 107.31 1upm n TRP 451 Ca 0.00 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.28 1upm n TRP 451 Cb 0.41 -0.01 -0.13 0.00 -1.36 0.00 0.00 31.31 30.23 1upm n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1upm s SER 452 N -1.32 4.93 0.29 -0.67 0.15 -0.63 -4.96 113.70 111.48 1upm s SER 452 Ca 0.01 -2.32 0.03 0.00 0.70 0.00 0.00 55.95 54.37 1upm s SER 452 Cb 0.01 -1.73 0.66 0.00 -1.71 0.00 0.00 66.02 63.25 1upm s SER 452 CO 0.08 -0.41 1.77 -0.65 1.20 0.00 0.00 173.24 175.22 1upm h PRO 453 N 7.53 0.68 -0.11 5.44 0.11 -1.88 -1.36 132.00 142.41 1upm h PRO 453 Ca -0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1upm h PRO 453 Cb 1.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1upm h PRO 453 CO 0.63 0.45 0.06 0.93 -0.21 0.00 0.00 178.00 179.86 1upm h GLU 454 N 0.70 0.14 -0.74 1.05 3.07 -1.93 -2.10 114.58 114.78 1upm h GLU 454 Ca 0.53 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.34 1upm h GLU 454 Cb 0.80 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1upm h GLU 454 CO -0.38 0.13 0.29 1.25 -1.40 0.00 0.00 179.01 178.91 1upm h LEU 455 N 0.11 1.02 -0.88 1.33 5.85 -1.66 -2.79 115.31 118.28 1upm h LEU 455 Ca 0.04 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.72 1upm h LEU 455 Cb 0.03 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 40.70 1upm h LEU 455 CO -0.01 0.91 0.49 0.00 -0.34 0.00 0.00 178.44 179.49 1upm h ALA 456 N 1.14 1.33 -0.14 1.25 0.00 -1.14 0.18 119.26 121.89 1upm h ALA 456 Ca 0.25 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 1upm h ALA 456 Cb 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1upm h ALA 456 CO -0.02 -0.01 -0.65 0.00 0.00 0.00 0.00 179.25 178.57 1upm h ALA 457 N 1.55 0.61 -0.61 0.00 0.00 -1.22 -1.94 119.26 117.64 1upm h ALA 457 Ca 0.47 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1upm h ALA 457 Cb 0.60 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1upm h ALA 457 CO -0.33 0.72 0.08 0.00 0.00 0.00 0.00 179.25 179.72 1upm h ALA 458 N 0.90 0.82 -0.48 0.00 0.00 -1.05 -2.86 119.26 116.58 1upm h ALA 458 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1upm h ALA 458 Cb 1.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1upm h ALA 458 CO 0.12 0.59 0.17 0.00 0.00 0.00 0.00 179.25 180.12 1upm h GLU 460 N 0.65 0.37 -0.68 0.00 5.08 -1.34 -1.75 114.58 116.91 1upm h GLU 460 Ca 0.16 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1upm h GLU 460 Cb 0.25 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1upm h GLU 460 CO -0.01 0.24 0.11 0.28 -1.00 0.00 0.00 179.01 178.63 1upm h VAL 461 N 0.38 1.26 -0.23 3.13 2.07 -1.36 -3.29 116.25 118.22 1upm h VAL 461 Ca 0.22 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1upm h VAL 461 Cb 0.19 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1upm h VAL 461 CO -0.20 0.39 0.00 0.79 0.02 0.00 0.00 177.57 178.58 1upm n TRP 462 N -4.21 0.45 -0.17 1.57 8.01 -1.07 -4.75 117.44 117.28 1upm n TRP 462 Ca 0.04 -0.64 0.27 0.00 -1.31 0.00 0.00 57.50 55.87 1upm n TRP 462 Cb 0.30 -0.11 0.70 0.00 -2.01 0.00 0.00 31.31 30.18 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 1.40 0.04 -0.10 -0.99 2.10 -1.39 -1.83 116.57 115.81 1upm h LYS 463 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1upm h LYS 463 Cb 0.88 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1upm h LYS 463 CO 0.05 0.03 0.00 0.39 -2.00 0.00 0.00 179.45 177.92 1upm n GLU 464 N -4.30 2.00 -3.38 0.07 -0.58 -1.26 -4.97 120.64 108.22 1upm n GLU 464 Ca 0.18 -1.47 -0.38 0.00 -0.42 0.00 0.00 57.16 55.07 1upm n GLU 464 Cb 0.90 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 30.23 1upm n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1upm s ILE 465 N -1.89 5.20 0.02 -3.67 -1.09 -0.69 -5.03 121.20 114.04 1upm s ILE 465 Ca 0.34 0.74 -0.08 0.00 -2.23 0.00 0.00 60.65 59.42 1upm s ILE 465 Cb 0.20 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1upm s ILE 465 CO 0.31 0.26 0.16 -0.54 -1.23 0.00 0.00 174.94 173.90 1upm s LYS 466 N 1.24 0.56 -0.33 2.79 1.02 -1.26 -5.04 119.74 118.72 1upm s LYS 466 Ca 0.20 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.72 1upm s LYS 466 Cb -0.15 0.23 0.10 0.00 -0.52 0.00 0.00 37.83 37.50 1upm s LYS 466 CO 0.08 -0.15 0.08 -0.06 -0.92 0.00 0.00 175.35 174.39 1upm s PHE 467 N -1.84 2.70 -0.20 3.18 0.40 -1.26 -5.09 117.98 115.86 1upm s PHE 467 Ca -0.11 -2.38 -0.01 0.00 -0.60 0.00 0.00 56.93 53.82 1upm s PHE 467 Cb -0.05 -2.31 0.06 0.00 0.51 0.00 0.00 43.02 41.23 1upm s PHE 467 CO -0.00 -0.90 -0.00 -1.21 0.70 0.00 0.00 175.22 173.80 1upm s GLU 468 N 1.19 1.05 0.06 0.44 2.02 -1.26 -4.78 118.70 117.42 1upm s GLU 468 Ca 0.11 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.42 1upm s GLU 468 Cb -0.19 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 1upm s GLU 468 CO -0.16 -0.60 0.11 -0.06 0.02 0.00 0.00 175.26 174.57 1upm s PHE 469 N 1.68 0.24 0.27 1.61 0.40 -1.26 -5.14 117.98 115.79 1upm s PHE 469 Ca -0.02 -0.64 -0.29 0.00 -0.60 0.00 0.00 56.93 55.37 1upm s PHE 469 Cb -0.17 -0.16 -0.10 0.00 0.51 0.00 0.00 43.02 43.10 1upm s PHE 469 CO -0.07 -0.44 1.36 -1.25 0.70 0.00 0.00 175.22 175.52 1upm s PRO 470 N -3.34 4.33 0.32 0.24 0.04 -1.26 -5.01 135.00 130.31 1upm s PRO 470 Ca 0.01 2.21 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 1upm s PRO 470 Cb 0.03 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 1upm s PRO 470 CO -0.08 -0.29 0.84 0.00 0.04 0.00 0.00 177.00 177.51 1upm s ALA 471 N -0.44 3.26 -0.15 8.56 0.00 -1.26 -4.98 121.76 126.75 1upm s ALA 471 Ca 0.54 0.30 0.19 0.00 0.00 0.00 0.00 51.96 52.99 1upm s ALA 471 Cb -0.40 -2.99 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 1upm s ALA 471 CO 0.46 0.24 0.81 -1.33 0.00 0.00 0.00 175.76 175.94 1upm n MET 472 N 0.18 0.62 -3.81 0.00 2.81 -1.26 -4.79 117.12 110.87 1upm n MET 472 Ca 0.02 0.15 -0.35 0.00 -1.81 0.00 0.00 57.70 55.71 1upm n MET 472 Cb 0.52 -1.77 -0.12 0.00 -0.71 0.00 0.00 33.22 31.14 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 -5.56 5.09 0.23 7.83 2.15 -1.26 -4.37 116.67 120.79 1upm s ASP 473 Ca -0.03 -2.37 0.11 0.00 0.43 0.00 0.00 52.55 50.69 1upm s ASP 473 Cb 0.09 -1.79 -0.05 0.00 -0.30 0.00 0.00 42.92 40.88 1upm s ASP 473 CO 0.81 -0.44 -0.20 0.42 -0.17 0.00 0.00 175.17 175.60 1upm s THR 474 N 0.64 2.24 -1.60 1.71 -4.23 -1.26 -4.67 115.64 108.46 1upm s THR 474 Ca 0.12 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1upm s THR 474 Cb -0.22 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1upm s THR 474 CO -0.04 -0.36 0.40 0.52 -0.54 0.00 0.00 174.62 174.60