#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upm n SER 10 N 0.00 -4.93 -4.86 0.00 3.41 -1.26 -5.04 113.62 100.93 1upm n SER 10 Ca 0.00 1.43 -0.29 0.00 -0.26 0.00 0.00 58.87 59.75 1upm n SER 10 Cb 0.00 -3.49 -0.05 0.00 -0.26 0.00 0.00 64.21 60.41 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 -0.32 4.97 0.46 -3.33 0.11 -1.26 -5.09 120.40 115.94 1upm s VAL 11 Ca -0.02 -0.68 -0.22 0.00 -2.93 0.00 0.00 61.98 58.13 1upm s VAL 11 Cb 0.00 -3.46 -0.11 0.00 -1.53 0.00 0.00 36.38 31.28 1upm s VAL 11 CO 0.05 0.05 0.70 1.21 -3.33 0.00 0.00 175.10 173.78 1upm n GLU 12 N 0.06 0.80 -1.99 1.54 2.13 -1.26 -4.91 120.64 117.00 1upm n GLU 12 Ca -0.07 0.29 -0.42 0.00 0.66 0.00 0.00 57.16 57.62 1upm n GLU 12 Cb 0.52 -1.74 -0.03 0.00 0.27 0.00 0.00 31.44 30.47 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 -1.47 2.64 -0.28 4.31 5.36 -1.26 -5.01 117.98 122.27 1upm s PHE 13 Ca 0.65 0.48 0.03 0.00 -0.96 0.00 0.00 56.93 57.13 1upm s PHE 13 Cb -0.55 -3.90 0.07 0.00 -0.34 0.00 0.00 43.02 38.31 1upm s PHE 13 CO 0.56 -3.49 -0.05 0.21 -1.46 0.00 0.00 175.22 170.99 1upm s LYS 14 N 2.27 1.93 0.32 10.12 2.47 -1.26 -5.11 119.74 130.48 1upm s LYS 14 Ca 0.71 -1.46 -0.29 0.00 -1.56 0.00 0.00 55.97 53.38 1upm s LYS 14 Cb -0.39 -2.93 -0.10 0.00 -1.46 0.00 0.00 37.83 32.95 1upm s LYS 14 CO 0.31 -0.69 1.31 0.00 0.16 0.00 0.00 175.35 176.44 1upm s ALA 15 N 1.09 3.50 0.00 3.13 0.00 -1.26 -4.79 121.76 123.42 1upm s ALA 15 Ca -0.03 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1upm s ALA 15 Cb -0.20 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1upm s ALA 15 CO -0.06 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1upm n GLY 16 N 0.89 1.78 3.92 0.00 0.00 -1.26 -4.99 105.19 105.52 1upm n GLY 16 Ca 0.00 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1upm n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upm s VAL 17 N -1.36 5.34 0.25 1.61 -7.23 -1.26 -2.18 120.40 115.57 1upm s VAL 17 Ca 0.00 -0.46 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 1upm s VAL 17 Cb 0.00 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 1upm s VAL 17 CO 0.00 0.10 0.39 -1.59 -0.31 0.00 0.00 175.10 173.69 1upm s LYS 18 N -2.64 1.53 0.42 4.82 -2.85 -1.26 -5.01 119.74 114.75 1upm s LYS 18 Ca 0.35 -1.44 -0.25 0.00 -1.00 0.00 0.00 55.97 53.63 1upm s LYS 18 Cb -0.13 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 35.98 1upm s LYS 18 CO 0.28 -0.61 1.18 -0.51 0.10 0.00 0.00 175.35 175.79 1upm s ASP 19 N -3.10 6.41 0.37 0.03 1.01 -1.26 -4.92 116.67 115.21 1upm s ASP 19 Ca 0.28 2.37 0.04 0.00 0.71 0.00 0.00 52.55 55.95 1upm s ASP 19 Cb 0.01 -2.61 0.71 0.00 1.01 0.00 0.00 42.92 42.04 1upm s ASP 19 CO 0.12 -0.76 2.03 1.88 0.21 0.00 0.00 175.17 178.65 1upm h TYR 20 N 2.48 0.70 0.00 4.23 0.05 -1.93 -2.89 116.97 119.62 1upm h TYR 20 Ca -0.49 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.28 1upm h TYR 20 Cb 1.24 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 1upm h TYR 20 CO 0.54 0.44 -0.13 1.57 -1.05 0.00 0.00 178.16 179.53 1upm h LYS 21 N 0.76 0.00 -0.55 4.88 2.10 -1.87 -0.42 116.57 121.47 1upm h LYS 21 Ca 0.21 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 59.00 1upm h LYS 21 Cb -0.08 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.23 1upm h LYS 21 CO -0.05 0.13 0.39 -0.07 -2.00 0.00 0.00 179.45 177.85 1upm h LEU 22 N 0.00 0.08 0.00 7.07 3.38 -1.86 -3.02 115.31 120.97 1upm h LEU 22 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1upm h LEU 22 Cb 0.43 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1upm h LEU 22 CO 0.02 0.04 -1.42 0.41 0.09 0.00 0.00 178.44 177.59 1upm n THR 23 N -4.41 0.42 0.30 0.22 -1.04 -0.61 -4.83 114.28 104.32 1upm n THR 23 Ca 0.10 -0.24 0.04 0.00 -2.04 0.00 0.00 64.05 61.90 1upm n THR 23 Cb 0.56 -0.83 0.03 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.29 0.00 -3.73 -1.42 4.01 -0.27 -4.88 117.16 108.58 1upm n TYR 24 Ca -0.10 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.27 1upm n TYR 24 Cb 0.69 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.64 3.21 -0.43 -0.72 5.04 -1.14 -1.32 117.35 121.35 1upm s TYR 25 Ca 0.08 -0.01 0.08 0.00 -2.44 0.00 0.00 57.07 54.78 1upm s TYR 25 Cb 0.06 -2.26 0.27 0.00 0.35 0.00 0.00 41.96 40.38 1upm s TYR 25 CO 0.10 -0.09 0.74 2.41 -1.34 0.00 0.00 175.55 177.36 1upm n THR 26 N 4.53 -0.31 0.30 4.34 -1.04 0.59 -4.90 114.28 117.78 1upm n THR 26 Ca -0.15 -2.95 0.17 0.00 -2.04 0.00 0.00 64.05 59.07 1upm n THR 26 Cb 0.52 -0.16 0.82 0.00 -1.82 0.00 0.00 70.33 69.69 1upm n THR 26 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1upm h PRO 27 N 3.75 0.00 -0.01 -2.82 0.13 -1.75 -2.31 132.00 128.98 1upm h PRO 27 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1upm h PRO 27 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1upm h PRO 27 CO 0.38 0.00 -0.04 0.39 -0.23 0.00 0.00 178.00 178.51 1upm n GLU 28 N -2.79 1.55 -2.29 0.86 -0.58 -1.26 -4.83 120.64 111.30 1upm n GLU 28 Ca -0.01 -0.91 -0.41 0.00 -0.42 0.00 0.00 57.16 55.41 1upm n GLU 28 Cb 0.16 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 1upm n GLU 28 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1upm s TYR 29 N -2.08 3.33 -0.19 -0.32 5.04 -0.87 -5.01 117.35 117.26 1upm s TYR 29 Ca 0.36 1.34 -0.11 0.00 -2.44 0.00 0.00 57.07 56.22 1upm s TYR 29 Cb 0.21 -3.52 -0.05 0.00 0.35 0.00 0.00 41.96 38.95 1upm s TYR 29 CO 0.36 -1.52 0.18 -1.21 -1.34 0.00 0.00 175.55 172.02 1upm s GLU 30 N -0.34 4.21 0.38 4.97 2.02 -1.26 -4.99 118.70 123.69 1upm s GLU 30 Ca 0.54 -0.11 -0.26 0.00 0.02 0.00 0.00 54.97 55.15 1upm s GLU 30 Cb -0.35 -3.42 -0.09 0.00 0.10 0.00 0.00 34.13 30.37 1upm s GLU 30 CO 0.39 0.28 1.22 0.95 0.02 0.00 0.00 175.26 178.12 1upm s THR 31 N 0.39 2.96 0.43 3.63 -4.23 -1.26 -5.02 115.64 112.54 1upm s THR 31 Ca 0.11 0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 61.31 1upm s THR 31 Cb -0.12 -3.50 -0.08 0.00 1.34 0.00 0.00 72.50 70.14 1upm s THR 31 CO -0.00 0.12 0.87 -0.76 -0.54 0.00 0.00 174.62 174.31 1upm s LEU 32 N -2.31 3.83 0.00 4.79 1.43 -1.26 -4.98 118.68 120.18 1upm s LEU 32 Ca 0.55 1.43 0.21 0.00 -1.03 0.00 0.00 54.13 55.29 1upm s LEU 32 Cb -0.34 -4.31 1.01 0.00 0.03 0.00 0.00 46.19 42.58 1upm s LEU 32 CO 0.44 -0.41 1.66 0.47 0.23 0.00 0.00 176.35 178.74 1upm n ASP 33 N -1.05 0.00 -0.40 2.29 8.00 -1.26 -2.14 116.55 121.99 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 -0.35 0.21 0.00 -0.02 0.00 0.00 41.12 41.50 1upm n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1upm n THR 34 N -1.35 0.00 -2.51 -3.53 -2.24 -1.26 -4.51 114.28 98.89 1upm n THR 34 Ca 0.08 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 1upm n THR 34 Cb 0.19 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.44 6.86 -0.05 3.42 1.01 -0.91 -3.60 116.67 120.96 1upm s ASP 35 Ca 0.23 2.12 -0.24 0.00 0.71 0.00 0.00 52.55 55.37 1upm s ASP 35 Cb 0.19 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1upm s ASP 35 CO 0.52 -0.42 0.71 -0.63 0.21 0.00 0.00 175.17 175.56 1upm s ILE 36 N -1.51 5.01 -0.13 0.77 1.09 0.13 -4.23 121.20 122.33 1upm s ILE 36 Ca 0.54 1.48 -0.02 0.00 -1.10 0.00 0.00 60.65 61.55 1upm s ILE 36 Cb -0.25 -4.05 -0.03 0.00 -1.06 0.00 0.00 42.46 37.07 1upm s ILE 36 CO 0.32 0.26 -0.05 -0.76 -0.10 0.00 0.00 174.94 174.61 1upm s LEU 37 N 0.71 3.22 -0.10 2.97 1.43 -1.09 -0.11 118.68 125.71 1upm s LEU 37 Ca 0.38 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1upm s LEU 37 Cb -0.18 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1upm s LEU 37 CO 0.19 0.23 -0.15 0.00 0.23 0.00 0.00 176.35 176.85 1upm s ALA 38 N -0.02 2.54 -0.47 4.21 0.00 0.85 -0.12 121.76 128.75 1upm s ALA 38 Ca 0.01 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1upm s ALA 38 Cb -0.13 -1.07 0.06 0.00 0.00 0.00 0.00 23.12 21.97 1upm s ALA 38 CO 0.03 0.33 0.47 0.00 0.00 0.00 0.00 175.76 176.59 1upm s ALA 39 N 0.07 3.48 -0.20 0.00 0.00 -0.94 -0.89 121.76 123.28 1upm s ALA 39 Ca -0.06 -1.87 -0.08 0.00 0.00 0.00 0.00 51.96 49.94 1upm s ALA 39 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1upm s ALA 39 CO 0.05 -1.78 0.09 -0.06 0.00 0.00 0.00 175.76 174.06 1upm s PHE 40 N 2.05 3.27 -0.64 0.00 0.08 0.01 -1.19 117.98 121.56 1upm s PHE 40 Ca 0.09 0.09 -0.27 0.00 0.12 0.00 0.00 56.93 56.96 1upm s PHE 40 Cb -0.21 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1upm s PHE 40 CO 0.10 0.11 1.19 0.50 -0.10 0.00 0.00 175.22 177.02 1upm s ARG 41 N 0.63 3.37 -0.18 0.44 3.52 0.15 -0.42 118.95 126.46 1upm s ARG 41 Ca 0.05 0.00 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 1upm s ARG 41 Cb -0.13 -4.08 -0.03 0.00 -1.56 0.00 0.00 34.95 29.15 1upm s ARG 41 CO 0.01 -1.83 0.02 0.08 -0.81 0.00 0.00 175.30 172.77 1upm s VAL 42 N 5.11 4.40 -0.35 7.11 1.01 0.73 -1.51 120.40 136.90 1upm s VAL 42 Ca 0.38 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1upm s VAL 42 Cb -0.08 -2.97 0.10 0.00 0.00 0.00 0.00 36.38 33.43 1upm s VAL 42 CO 0.21 0.46 0.07 -0.44 0.00 0.00 0.00 175.10 175.41 1upm s SER 43 N 0.46 4.82 0.73 3.32 0.01 -0.71 -1.66 113.70 120.67 1upm s SER 43 Ca 0.00 -2.16 -0.11 0.00 1.31 0.00 0.00 55.95 54.99 1upm s SER 43 Cb -0.13 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.47 1upm s SER 43 CO 0.01 -0.40 1.07 -2.84 0.41 0.00 0.00 173.24 171.50 1upm s PRO 44 N 0.91 2.65 0.62 12.44 0.02 -1.25 0.24 135.00 150.62 1upm s PRO 44 Ca 0.11 0.82 -0.14 0.00 0.02 0.00 0.00 61.00 61.81 1upm s PRO 44 Cb -0.20 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 1upm s PRO 44 CO -0.07 -1.26 1.05 -0.65 -0.33 0.00 0.00 177.00 175.73 1upm s GLN 45 N -5.10 3.27 0.11 5.54 -1.52 -0.68 -4.37 119.66 116.91 1upm s GLN 45 Ca 0.59 1.06 -0.35 0.00 -1.95 0.00 0.00 55.36 54.71 1upm s GLN 45 Cb -0.14 -2.03 -0.14 0.00 -0.22 0.00 0.00 33.01 30.48 1upm s GLN 45 CO 0.55 -0.84 1.57 -2.30 -0.25 0.00 0.00 175.29 174.02 1upm n PRO 46 N -2.41 1.95 -0.42 2.91 -0.02 -1.26 -1.89 135.00 133.85 1upm n PRO 46 Ca 0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1upm n PRO 46 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.37 0.71 3.43 -1.23 0.00 -1.26 -5.03 105.19 105.18 1upm n GLY 47 Ca 0.18 0.00 -0.41 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 -2.79 4.85 0.58 1.61 1.01 -0.79 -5.08 120.40 119.79 1upm s VAL 48 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 1upm s VAL 48 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1upm s VAL 48 CO 0.00 -0.18 1.31 -2.16 0.00 0.00 0.00 175.10 174.07 1upm s PRO 49 N 1.62 2.98 0.40 2.72 0.04 -1.26 -4.76 135.00 136.74 1upm s PRO 49 Ca 0.04 2.10 0.09 0.00 0.04 0.00 0.00 61.00 63.28 1upm s PRO 49 Cb -0.19 -2.10 0.89 0.00 0.04 0.00 0.00 34.50 33.14 1upm s PRO 49 CO 0.08 -1.28 1.99 -1.00 0.04 0.00 0.00 177.00 176.83 1upm h PRO 50 N 1.15 0.55 -0.74 0.56 0.13 -1.98 -1.63 132.00 130.04 1upm h PRO 50 Ca -0.51 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 1upm h PRO 50 Cb 1.31 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1upm h PRO 50 CO 0.56 0.37 0.26 0.93 -0.23 0.00 0.00 178.00 179.88 1upm h GLU 51 N 0.57 1.13 0.01 0.86 3.07 -1.99 -0.10 114.58 118.12 1upm h GLU 51 Ca 0.27 -0.22 -0.19 0.00 -0.50 0.00 0.00 59.36 58.71 1upm h GLU 51 Cb 0.32 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1upm h GLU 51 CO -0.08 0.94 -0.87 1.49 -1.40 0.00 0.00 179.01 179.09 1upm h GLU 52 N 1.09 0.13 -0.21 2.33 4.57 -1.71 -1.68 114.58 119.10 1upm h GLU 52 Ca 0.24 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1upm h GLU 52 Cb 0.27 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1upm h GLU 52 CO -0.01 0.91 0.04 0.00 -1.18 0.00 0.00 179.01 178.77 1upm h ALA 53 N 1.03 0.28 -0.46 2.92 0.00 -1.08 -0.39 119.26 121.56 1upm h ALA 53 Ca -0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1upm h ALA 53 Cb 1.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1upm h ALA 53 CO 0.13 -0.06 -0.14 0.78 0.00 0.00 0.00 179.25 179.96 1upm h GLY 54 N 0.14 0.93 1.04 0.00 0.00 -0.99 -1.63 103.07 102.56 1upm h GLY 54 Ca 0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 1upm h GLY 54 CO 0.00 0.68 0.07 0.00 0.00 0.00 0.00 176.54 177.30 1upm h ALA 55 N 1.07 0.78 -0.18 3.60 0.00 -1.20 -1.65 119.26 121.68 1upm h ALA 55 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1upm h ALA 55 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1upm h ALA 55 CO 0.05 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.95 1upm h ALA 56 N 1.00 0.24 -0.04 0.00 0.00 -0.84 0.68 119.26 120.31 1upm h ALA 56 Ca 0.18 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1upm h ALA 56 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1upm h ALA 56 CO 0.02 -0.21 -0.06 0.28 0.00 0.00 0.00 179.25 179.27 1upm h VAL 57 N 0.18 0.83 -0.54 0.00 2.07 -1.12 -2.01 116.25 115.66 1upm h VAL 57 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1upm h VAL 57 Cb 0.10 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1upm h VAL 57 CO -0.01 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.91 1upm h ALA 58 N 0.94 0.69 -0.36 1.67 0.00 -1.15 -2.32 119.26 118.73 1upm h ALA 58 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1upm h ALA 58 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1upm h ALA 58 CO -0.09 0.18 0.16 0.00 0.00 0.00 0.00 179.25 179.50 1upm h ALA 59 N 1.16 0.46 0.00 0.00 0.00 -0.71 -3.19 119.26 116.98 1upm h ALA 59 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1upm h ALA 59 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1upm h ALA 59 CO -0.04 0.03 -0.35 -1.91 0.00 0.00 0.00 179.25 176.99 1upm n GLU 60 N -4.72 0.12 -0.59 0.00 4.07 -0.77 0.38 120.64 119.13 1upm n GLU 60 Ca -0.01 0.06 0.07 0.00 -0.06 0.00 0.00 57.16 57.22 1upm n GLU 60 Cb 0.11 -1.60 0.32 0.00 -0.06 0.00 0.00 31.44 30.21 1upm n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1upm n SER 61 N -1.79 4.36 0.00 4.31 3.41 -0.88 -4.79 113.62 118.24 1upm n SER 61 Ca 0.05 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 1upm n SER 61 Cb 0.38 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1upm n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1upm n SER 62 N 0.84 0.00 0.00 4.04 3.41 -1.09 -4.48 113.62 116.34 1upm n SER 62 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1upm n SER 62 Cb 0.85 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 -1.66 0.00 -3.96 6.66 -2.24 -0.85 -4.92 114.28 107.30 1upm n THR 63 Ca 0.00 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 1upm n THR 63 Cb 0.00 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.30 1.72 0.00 3.38 0.00 0.16 -5.03 107.32 107.25 1upm s GLY 64 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1upm s GLY 64 CO 0.00 -1.04 0.00 -0.37 0.00 0.00 0.00 173.10 171.69 1upm n THR 65 N -0.50 0.00 0.38 0.90 5.66 -1.26 -4.20 114.28 115.25 1upm n THR 65 Ca -0.07 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.05 1upm n THR 65 Cb 0.54 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.46 1upm n THR 65 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 1upm h TRP 66 N 0.26 0.00 -3.61 1.09 5.08 -1.99 -3.45 115.95 113.32 1upm h TRP 66 Ca 0.00 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.65 1upm h TRP 66 Cb 0.00 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.01 1upm h TRP 66 CO 0.00 0.00 -0.66 -0.08 -1.28 0.00 0.00 178.44 176.42 1upm s THR 67 N -3.23 0.81 -0.04 0.12 -1.32 -1.26 -4.68 115.64 106.03 1upm s THR 67 Ca 0.05 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.23 1upm s THR 67 Cb 0.11 -2.20 -0.02 0.00 -1.51 0.00 0.00 72.50 68.87 1upm s THR 67 CO 0.72 -0.42 1.02 -0.89 -2.21 0.00 0.00 174.62 172.85 1upm s THR 68 N -3.57 4.73 -0.11 5.08 2.01 -0.93 -5.00 115.64 117.84 1upm s THR 68 Ca 0.26 1.97 -0.02 0.00 0.31 0.00 0.00 61.69 64.21 1upm s THR 68 Cb 0.06 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1upm s THR 68 CO 0.06 0.08 -0.03 0.68 -0.69 0.00 0.00 174.62 174.71 1upm s VAL 69 N 1.53 3.98 0.43 3.82 -7.23 -1.26 -4.48 120.40 117.20 1upm s VAL 69 Ca 0.51 -0.35 0.19 0.00 -1.81 0.00 0.00 61.98 60.52 1upm s VAL 69 Cb -0.21 -2.69 0.21 0.00 0.56 0.00 0.00 36.38 34.25 1upm s VAL 69 CO 0.23 0.56 2.00 4.11 -0.31 0.00 0.00 175.10 181.69 1upm h TRP 70 N 5.81 0.00 0.00 2.82 5.08 -1.96 -2.95 115.95 124.76 1upm h TRP 70 Ca -0.42 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1upm h TRP 70 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1upm h TRP 70 CO 0.57 0.18 0.00 0.25 -1.28 0.00 0.00 178.44 178.16 1upm n THR 71 N -4.07 1.27 -0.07 0.12 -2.24 -1.26 -2.44 114.28 105.58 1upm n THR 71 Ca -0.02 0.32 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 1upm n THR 71 Cb 0.26 -1.14 0.51 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.34 0.50 3.42 3.32 -1.90 -2.57 116.42 119.53 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 0.17 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1upm h ASP 72 CO 0.00 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.34 1upm n GLY 73 N -1.53 -1.04 0.14 2.75 0.00 -1.02 -2.23 105.19 102.27 1upm n GLY 73 Ca 0.10 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.68 -3.48 115.31 114.52 1upm h LEU 74 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1upm h LEU 74 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1upm h LEU 74 CO 0.00 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1upm n THR 75 N -2.66 0.00 -3.69 0.22 -2.24 -0.94 -5.10 114.28 99.87 1upm n THR 75 Ca 0.03 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 1upm n THR 75 Cb 0.50 -0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 1upm n THR 75 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1upm s ASN 76 N -0.86 5.37 0.30 3.42 3.84 -1.26 -4.96 114.94 120.79 1upm s ASN 76 Ca 0.00 -2.72 -0.01 0.00 0.21 0.00 0.00 52.86 50.33 1upm s ASN 76 Cb 0.00 -1.89 0.46 0.00 -0.55 0.00 0.00 41.25 39.28 1upm s ASN 76 CO 0.00 -0.41 1.96 0.25 -2.79 0.00 0.00 177.10 176.10 1upm h LEU 77 N 7.24 0.94 -1.63 3.21 5.85 -2.00 -1.89 115.31 127.04 1upm h LEU 77 Ca -0.03 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1upm h LEU 77 Cb 0.97 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1upm h LEU 77 CO 0.72 0.66 -0.20 0.44 -0.34 0.00 0.00 178.44 179.73 1upm h ASP 78 N 1.10 0.00 1.72 1.25 3.32 -1.96 0.70 116.42 122.55 1upm h ASP 78 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1upm h ASP 78 Cb -0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1upm h ASP 78 CO -0.08 0.20 -0.29 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 -1.78 -3.37 114.38 112.90 1upm h ARG 79 Ca -0.00 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.85 1upm h ARG 79 Cb 0.47 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.51 1upm h ARG 79 CO 0.03 0.04 -2.17 0.66 0.10 0.00 0.00 179.97 178.63 1upm n TYR 80 N -3.01 0.00 -1.70 4.08 4.01 -0.75 -4.85 117.16 114.93 1upm n TYR 80 Ca 0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.34 1upm n TYR 80 Cb 0.55 -0.77 -0.01 0.00 -0.31 0.00 0.00 39.34 38.80 1upm n TYR 80 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1upm n LYS 81 N -2.53 2.21 -1.54 -0.72 2.85 0.16 -4.62 118.16 113.97 1upm n LYS 81 Ca -0.22 0.78 -0.31 0.00 -1.05 0.00 0.00 58.31 57.51 1upm n LYS 81 Cb 0.92 -2.40 0.06 0.00 -0.65 0.00 0.00 35.03 32.95 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 -0.11 1.66 -0.20 2.58 0.00 -1.26 -4.62 107.32 105.38 1upm s GLY 82 Ca 0.58 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 45.23 1upm s GLY 82 CO 0.59 0.38 0.49 1.09 0.00 0.00 0.00 173.10 175.64 1upm s ARG 83 N -5.05 0.49 -0.38 2.90 1.70 -0.64 -4.62 118.95 113.34 1upm s ARG 83 Ca 0.59 0.87 -0.28 0.00 -0.47 0.00 0.00 55.73 56.44 1upm s ARG 83 Cb -0.14 0.06 0.02 0.00 -0.57 0.00 0.00 34.95 34.32 1upm s ARG 83 CO 0.55 -0.14 1.06 0.00 -1.08 0.00 0.00 175.30 175.69 1upm n TYR 85 N 7.14 0.00 -3.63 0.00 4.11 -0.66 -0.30 117.16 123.82 1upm n TYR 85 Ca 0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.90 1upm n TYR 85 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.75 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 -1.60 -0.83 -0.12 -3.48 5.04 -1.24 -4.31 115.29 108.77 1upm s HIS 86 Ca 0.07 1.88 0.01 0.00 -1.54 0.00 0.00 55.06 55.48 1upm s HIS 86 Cb 0.08 0.38 0.02 0.00 0.04 0.00 0.00 32.58 33.10 1upm s HIS 86 CO 0.31 -0.40 -0.12 0.42 -2.34 0.00 0.00 174.74 172.61 1upm s ILE 87 N 0.73 1.34 -0.10 0.89 1.01 -1.26 -1.30 121.20 122.51 1upm s ILE 87 Ca -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.14 1upm s ILE 87 Cb -0.05 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.15 1upm s ILE 87 CO -0.06 0.42 -0.21 -0.70 0.00 0.00 0.00 174.94 174.39 1upm s GLU 88 N 1.33 2.70 0.41 2.79 2.12 0.12 -5.00 118.70 123.17 1upm s GLU 88 Ca -0.00 -0.76 -0.24 0.00 0.36 0.00 0.00 54.97 54.34 1upm s GLU 88 Cb -0.14 -2.09 -0.09 0.00 0.26 0.00 0.00 34.13 32.08 1upm s GLU 88 CO -0.06 0.11 1.06 -1.25 -0.54 0.00 0.00 175.26 174.58 1upm s PRO 89 N 0.49 4.12 -0.18 4.30 0.04 -1.26 0.22 135.00 142.73 1upm s PRO 89 Ca -0.16 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.23 1upm s PRO 89 Cb -0.17 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1upm s PRO 89 CO 0.06 -0.18 0.46 0.08 0.04 0.00 0.00 177.00 177.46 1upm s VAL 90 N -1.67 5.16 0.05 -0.36 1.01 -0.43 -4.79 120.40 119.38 1upm s VAL 90 Ca 0.59 0.85 -0.31 0.00 0.00 0.00 0.00 61.98 63.11 1upm s VAL 90 Cb -0.22 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1upm s VAL 90 CO 0.28 0.24 1.44 0.00 0.00 0.00 0.00 175.10 177.06 1upm s ALA 91 N 1.25 3.60 0.00 5.51 0.00 -1.26 -2.34 121.76 128.52 1upm s ALA 91 Ca 0.22 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1upm s ALA 91 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1upm s ALA 91 CO 0.09 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1upm n GLY 92 N 3.66 0.76 2.98 0.00 0.00 -1.26 -5.04 105.19 106.29 1upm n GLY 92 Ca 0.13 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.62 1.47 -0.10 1.61 0.41 -0.99 -5.11 118.70 115.37 1upm s GLU 93 Ca 0.00 -0.32 -0.30 0.00 -0.41 0.00 0.00 54.97 53.94 1upm s GLU 93 Cb 0.00 -1.28 -0.02 0.00 -1.78 0.00 0.00 34.13 31.05 1upm s GLU 93 CO 0.00 -0.02 1.17 -1.83 -0.49 0.00 0.00 175.26 174.09 1upm s GLU 94 N 0.80 4.33 -1.41 1.61 1.03 -1.26 -4.35 118.70 119.45 1upm s GLU 94 Ca -0.12 1.60 -0.08 0.00 0.03 0.00 0.00 54.97 56.40 1upm s GLU 94 Cb -0.15 -3.61 0.04 0.00 -0.80 0.00 0.00 34.13 29.61 1upm s GLU 94 CO 0.02 -0.50 0.95 -1.71 -1.33 0.00 0.00 175.26 172.69 1upm n ASN 95 N 5.58 -3.88 -3.84 0.83 5.15 -1.26 -4.98 115.26 112.86 1upm n ASN 95 Ca 0.11 -0.73 -0.17 0.00 -0.60 0.00 0.00 54.58 53.19 1upm n ASN 95 Cb 0.46 -4.27 -0.16 0.00 -0.53 0.00 0.00 39.78 35.28 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 -6.27 0.39 0.03 1.20 0.74 -1.26 -3.93 119.66 110.56 1upm s GLN 96 Ca 0.41 0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.89 1upm s GLN 96 Cb -0.20 -0.53 -0.02 0.00 1.10 0.00 0.00 33.01 33.37 1upm s GLN 96 CO 0.80 -0.11 -0.12 0.71 -0.55 0.00 0.00 175.29 176.02 1upm s TYR 97 N 0.92 1.05 -0.44 1.67 1.51 -0.66 -1.31 117.35 120.08 1upm s TYR 97 Ca -0.10 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.37 1upm s TYR 97 Cb -0.13 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.11 1upm s TYR 97 CO -0.01 0.01 0.95 0.42 -1.11 0.00 0.00 175.55 175.80 1upm s ILE 98 N -0.79 4.46 -0.21 2.71 -1.09 0.13 -0.19 121.20 126.22 1upm s ILE 98 Ca 0.00 0.89 -0.09 0.00 -2.23 0.00 0.00 60.65 59.22 1upm s ILE 98 Cb -0.07 -4.43 -0.04 0.00 -1.58 0.00 0.00 42.46 36.33 1upm s ILE 98 CO 0.01 -0.80 0.11 0.00 -1.23 0.00 0.00 174.94 173.03 1upm s TYR 100 N 0.67 3.31 -0.03 0.00 1.51 -0.42 -0.81 117.35 121.57 1upm s TYR 100 Ca 0.06 0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.35 1upm s TYR 100 Cb -0.13 -2.21 -0.01 0.00 -0.11 0.00 0.00 41.96 39.51 1upm s TYR 100 CO 0.01 0.10 -0.18 0.08 -1.11 0.00 0.00 175.55 174.46 1upm s VAL 101 N 0.81 1.43 -0.07 0.71 1.01 -0.07 -1.65 120.40 122.57 1upm s VAL 101 Ca 0.07 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1upm s VAL 101 Cb -0.13 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1upm s VAL 101 CO 0.02 0.41 -0.14 0.00 0.00 0.00 0.00 175.10 175.39 1upm s ALA 102 N -0.20 2.65 -0.11 5.51 0.00 -0.19 -0.10 121.76 129.33 1upm s ALA 102 Ca 0.02 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1upm s ALA 102 Cb -0.09 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1upm s ALA 102 CO 0.01 0.47 -0.11 0.71 0.00 0.00 0.00 175.76 176.84 1upm s TYR 103 N -0.42 1.66 0.44 0.00 2.02 0.85 -1.63 117.35 120.27 1upm s TYR 103 Ca 0.05 -0.80 -0.25 0.00 -0.37 0.00 0.00 57.07 55.70 1upm s TYR 103 Cb -0.12 -1.28 -0.09 0.00 -0.40 0.00 0.00 41.96 40.07 1upm s TYR 103 CO 0.02 -0.48 1.35 -2.30 -1.57 0.00 0.00 175.55 172.57 1upm n PRO 104 N 4.57 2.08 -0.37 -1.71 -0.02 -1.26 0.21 135.00 138.50 1upm n PRO 104 Ca -0.16 0.74 0.29 0.00 -2.02 0.00 0.00 63.50 62.35 1upm n PRO 104 Cb 0.51 -2.51 0.58 0.00 -0.02 0.00 0.00 33.50 32.05 1upm n PRO 104 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1upm h LEU 105 N 2.16 0.34 -0.04 2.45 5.85 -1.93 -2.30 115.31 121.85 1upm h LEU 105 Ca -0.49 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1upm h LEU 105 Cb 1.28 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1upm h LEU 105 CO 0.60 -0.03 0.00 0.47 -0.34 0.00 0.00 178.44 179.14 1upm n ASP 106 N -4.64 0.04 0.23 1.25 9.92 -1.26 -2.84 116.55 119.25 1upm n ASP 106 Ca 0.30 0.51 0.13 0.00 -0.53 0.00 0.00 54.79 55.20 1upm n ASP 106 Cb 1.12 -0.52 0.24 0.00 -0.64 0.00 0.00 41.12 41.33 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 -9.62 0.64 3.38 -1.78 -3.47 115.31 104.46 1upm h LEU 107 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1upm h LEU 107 Cb 0.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 1upm h LEU 107 CO 0.00 0.01 -0.55 -0.36 0.09 0.00 0.00 178.44 177.63 1upm s PHE 108 N -3.27 3.38 -0.10 1.13 0.08 -1.13 -5.06 117.98 113.01 1upm s PHE 108 Ca 0.06 0.28 -0.30 0.00 0.12 0.00 0.00 56.93 57.09 1upm s PHE 108 Cb 0.06 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 1upm s PHE 108 CO 0.65 0.59 1.01 -2.00 -0.10 0.00 0.00 175.22 175.37 1upm s GLU 109 N -1.68 4.43 0.31 0.44 2.12 -1.26 -5.00 118.70 118.06 1upm s GLU 109 Ca 0.23 1.40 -0.28 0.00 0.36 0.00 0.00 54.97 56.67 1upm s GLU 109 Cb -0.12 -3.54 -0.13 0.00 0.26 0.00 0.00 34.13 30.60 1upm s GLU 109 CO 0.14 -0.30 1.24 0.39 -0.54 0.00 0.00 175.26 176.19 1upm n GLU 110 N 4.93 1.92 -0.65 4.30 4.71 -1.26 -2.82 120.64 131.77 1upm n GLU 110 Ca 0.09 0.67 0.00 0.00 -0.01 0.00 0.00 57.16 57.91 1upm n GLU 110 Cb 0.49 -2.22 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 1upm n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1upm n GLY 111 N 1.07 0.99 3.13 0.62 0.00 -1.21 -4.98 105.19 104.81 1upm n GLY 111 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.83 5.35 0.20 1.61 0.15 -1.13 -4.89 113.70 112.16 1upm s SER 112 Ca 0.00 -2.33 -0.10 0.00 0.70 0.00 0.00 55.95 54.23 1upm s SER 112 Cb 0.00 -1.87 0.24 0.00 -1.71 0.00 0.00 66.02 62.68 1upm s SER 112 CO 0.00 -0.50 1.77 0.58 1.20 0.00 0.00 173.24 176.29 1upm h VAL 113 N 5.91 0.87 -0.94 4.45 2.07 -1.93 -2.46 116.25 124.22 1upm h VAL 113 Ca -0.09 -0.18 0.17 0.00 0.82 0.00 0.00 66.70 67.42 1upm h VAL 113 Cb 1.02 0.31 -0.17 0.00 -1.52 0.00 0.00 31.29 30.92 1upm h VAL 113 CO 0.73 0.10 -0.30 0.74 0.02 0.00 0.00 177.57 178.85 1upm h THR 114 N 0.52 0.04 -0.28 2.57 2.02 -1.92 -0.77 112.91 115.08 1upm h THR 114 Ca 0.29 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.35 1upm h THR 114 Cb 0.27 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1upm h THR 114 CO -0.23 0.00 -0.31 -1.13 0.37 0.00 0.00 175.52 174.21 1upm h ASN 115 N -0.01 0.62 0.27 4.18 -0.73 -1.80 -0.82 115.58 117.28 1upm h ASN 115 Ca 0.40 -0.24 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1upm h ASN 115 Cb 0.65 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1upm h ASN 115 CO -0.96 0.89 -0.13 -0.03 -0.37 0.00 0.00 177.43 176.83 1upm h MET 116 N 0.51 -0.35 -0.96 6.67 4.05 -0.94 -2.55 114.93 121.36 1upm h MET 116 Ca 0.06 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.61 1upm h MET 116 Cb 0.79 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.59 1upm h MET 116 CO 0.06 -0.07 0.59 0.74 0.23 0.00 0.00 176.91 178.47 1upm h PHE 117 N -0.62 1.08 -0.35 1.39 0.04 -1.25 -2.20 116.94 115.02 1upm h PHE 117 Ca -0.04 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.81 1upm h PHE 117 Cb 0.45 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 1upm h PHE 117 CO 0.01 0.45 0.10 1.15 -0.60 0.00 0.00 178.31 179.42 1upm h THR 118 N 0.97 0.86 0.70 -1.55 2.02 -0.77 -0.25 112.91 114.89 1upm h THR 118 Ca 0.46 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.53 1upm h THR 118 Cb 0.41 0.61 0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1upm h THR 118 CO -0.25 0.04 -0.34 0.28 0.37 0.00 0.00 175.52 175.63 1upm h SER 119 N 0.23 -0.80 0.71 4.18 0.02 -1.35 -2.28 113.55 114.26 1upm h SER 119 Ca 0.16 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 1upm h SER 119 Cb 0.16 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1upm h SER 119 CO -0.19 -0.48 -0.50 0.40 -1.14 0.00 0.00 176.83 174.91 1upm h ILE 120 N -1.09 1.20 0.00 3.27 2.04 -1.04 -3.29 117.51 118.61 1upm h ILE 120 Ca -0.10 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 63.93 1upm h ILE 120 Cb 0.75 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1upm h ILE 120 CO 0.16 0.49 -0.04 0.52 0.00 0.00 0.00 178.15 179.28 1upm n VAL 121 N -3.70 0.64 0.17 1.67 0.31 -0.14 -4.85 118.33 112.43 1upm n VAL 121 Ca -0.01 -0.68 -0.10 0.00 -0.01 0.00 0.00 64.34 63.54 1upm n VAL 121 Cb 0.56 0.61 -0.06 0.00 -0.91 0.00 0.00 33.84 34.04 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 -0.52 0.00 2.92 0.00 -1.37 -3.43 103.07 100.68 1upm h GLY 122 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1upm h GLY 122 CO 0.00 -0.19 -0.91 0.70 0.00 0.00 0.00 176.54 176.14 1upm n ASN 123 N -5.11 4.57 0.24 0.19 3.02 -1.26 -4.84 115.26 112.06 1upm n ASN 123 Ca -0.08 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.57 1upm n ASN 123 Cb 0.25 0.76 0.60 0.00 -0.61 0.00 0.00 39.78 40.78 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 0.76 0.00 2.41 -1.51 -1.86 -2.78 116.25 113.27 1upm h VAL 124 Ca 0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 1upm h VAL 124 Cb 0.31 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1upm h VAL 124 CO 0.00 0.18 0.00 0.49 -1.23 0.00 0.00 177.57 177.01 1upm n PHE 125 N -3.78 0.00 0.02 5.19 3.01 -1.26 -2.80 117.46 117.85 1upm n PHE 125 Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 1upm n PHE 125 Cb 0.29 -0.21 0.04 0.00 -0.01 0.00 0.00 39.48 39.59 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 -0.40 1.43 3.67 1.37 0.00 -1.05 -4.85 105.19 105.36 1upm n GLY 126 Ca 0.06 -0.13 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.00 2.24 -0.25 1.61 3.72 -1.12 -4.88 117.46 118.77 1upm n PHE 127 Ca 0.03 0.32 0.03 0.00 -0.05 0.00 0.00 57.45 57.78 1upm n PHE 127 Cb 0.23 -2.52 0.25 0.00 -0.94 0.00 0.00 39.48 36.51 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 5.43 0.97 0.00 -1.08 1.57 -1.95 -2.42 116.57 119.09 1upm h LYS 128 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1upm h LYS 128 Cb 1.26 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1upm h LYS 128 CO 0.85 0.64 0.00 0.00 -0.57 0.00 0.00 179.45 180.37 1upm n ALA 129 N -2.41 1.43 -2.69 3.86 0.00 -1.26 -4.65 120.51 114.78 1upm n ALA 129 Ca 0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 1upm n ALA 129 Cb 0.12 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 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 -3.12 3.49 -0.06 0.00 1.43 -0.91 -1.68 118.68 117.84 1upm s LEU 130 Ca 0.04 -0.15 0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1upm s LEU 130 Cb 0.06 -2.21 -0.22 0.00 0.03 0.00 0.00 46.19 43.85 1upm s LEU 130 CO 0.18 0.18 0.58 0.54 0.23 0.00 0.00 176.35 178.06 1upm n ARG 131 N 0.61 0.64 -3.50 1.70 1.74 0.14 -4.74 116.66 113.25 1upm n ARG 131 Ca -0.11 0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 1upm n ARG 131 Cb 0.52 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.63 -1.77 -0.15 7.54 0.00 -1.03 -5.02 121.76 118.72 1upm s ALA 132 Ca -0.05 1.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 1upm s ALA 132 Cb 0.08 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.44 1upm s ALA 132 CO 0.83 -0.53 0.36 -1.17 0.00 0.00 0.00 175.76 175.24 1upm s LEU 133 N -1.87 0.16 -0.06 0.00 2.96 -1.20 -1.74 118.68 116.92 1upm s LEU 133 Ca -0.03 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1upm s LEU 133 Cb -0.01 1.18 0.02 0.00 0.50 0.00 0.00 46.19 47.88 1upm s LEU 133 CO -0.02 -0.17 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.14 1upm s ARG 134 N 1.15 1.39 -0.30 1.98 3.52 -0.57 -1.38 118.95 124.74 1upm s ARG 134 Ca -0.08 -0.30 -0.24 0.00 -0.13 0.00 0.00 55.73 54.99 1upm s ARG 134 Cb -0.08 -1.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.09 1upm s ARG 134 CO -0.09 -0.03 0.82 -1.17 -0.81 0.00 0.00 175.30 174.02 1upm s LEU 135 N 0.82 4.07 -0.09 -0.88 2.96 0.29 -0.68 118.68 125.17 1upm s LEU 135 Ca -0.12 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1upm s LEU 135 Cb -0.15 -3.14 -0.25 0.00 0.50 0.00 0.00 46.19 43.16 1upm s LEU 135 CO 0.02 -0.63 0.49 -0.62 -1.32 0.00 0.00 176.35 174.29 1upm n GLU 136 N 6.24 0.70 -3.43 1.98 -0.58 -0.33 -1.18 120.64 124.03 1upm n GLU 136 Ca 0.05 0.27 -0.12 0.00 -0.42 0.00 0.00 57.16 56.94 1upm n GLU 136 Cb 0.48 -1.74 -0.02 0.00 -0.57 0.00 0.00 31.44 29.58 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 -6.59 -0.56 -0.01 1.62 -1.08 -1.22 -4.56 116.67 104.26 1upm s ASP 137 Ca -0.14 0.05 0.02 0.00 -0.52 0.00 0.00 52.55 51.96 1upm s ASP 137 Cb 0.07 0.58 -0.00 0.00 -1.46 0.00 0.00 42.92 42.11 1upm s ASP 137 CO 0.79 -0.92 -0.06 -0.76 0.52 0.00 0.00 175.17 174.74 1upm s LEU 138 N -2.62 1.90 -0.44 -1.34 1.43 -1.26 -2.21 118.68 114.15 1upm s LEU 138 Ca 0.00 -0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 1upm s LEU 138 Cb -0.01 -0.36 0.03 0.00 0.03 0.00 0.00 46.19 45.88 1upm s LEU 138 CO -0.11 0.06 0.43 -0.60 0.23 0.00 0.00 176.35 176.36 1upm s ARG 139 N 0.01 3.06 -0.30 1.70 3.00 0.83 -4.94 118.95 122.31 1upm s ARG 139 Ca 0.00 -0.90 -0.15 0.00 -1.00 0.00 0.00 55.73 53.68 1upm s ARG 139 Cb -0.05 -4.01 -0.03 0.00 0.00 0.00 0.00 34.95 30.87 1upm s ARG 139 CO -0.00 -0.91 0.36 0.42 0.00 0.00 0.00 175.30 175.16 1upm s ILE 140 N 2.06 5.18 0.49 4.11 1.01 -1.26 -2.65 121.20 130.13 1upm s ILE 140 Ca 0.10 0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.87 1upm s ILE 140 Cb -0.19 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 1upm s ILE 140 CO 0.12 0.06 1.13 -2.16 0.00 0.00 0.00 174.94 174.09 1upm s PRO 141 N 2.04 3.62 0.41 2.79 0.04 -1.26 -4.69 135.00 137.95 1upm s PRO 141 Ca 0.13 1.65 0.14 0.00 0.04 0.00 0.00 61.00 62.96 1upm s PRO 141 Cb -0.16 -2.21 0.89 0.00 0.04 0.00 0.00 34.50 33.05 1upm s PRO 141 CO 0.11 -0.64 1.91 -0.39 0.04 0.00 0.00 177.00 178.03 1upm h VAL 142 N 1.57 1.16 0.00 -0.36 -1.51 -1.85 -1.00 116.25 114.27 1upm h VAL 142 Ca -0.50 -0.94 -0.03 0.00 -1.23 0.00 0.00 66.70 64.00 1upm h VAL 142 Cb 1.25 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1upm h VAL 142 CO 0.59 0.27 -0.15 0.00 -1.23 0.00 0.00 177.57 177.05 1upm h ALA 143 N 1.73 1.63 0.15 5.19 0.00 -1.92 -2.17 119.26 123.87 1upm h ALA 143 Ca -0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 1upm h ALA 143 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1upm h ALA 143 CO 0.04 0.19 -1.59 -0.92 0.00 0.00 0.00 179.25 176.96 1upm h TYR 144 N 0.00 0.57 -0.84 0.00 3.20 -1.58 -3.33 116.97 114.99 1upm h TYR 144 Ca -0.00 -0.42 0.09 0.00 3.14 0.00 0.00 58.73 61.54 1upm h TYR 144 Cb 0.28 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 1upm h TYR 144 CO 0.00 1.48 0.55 -0.39 -1.64 0.00 0.00 178.16 178.16 1upm h VAL 145 N 0.09 0.98 0.00 1.81 -1.51 -1.00 -1.46 116.25 115.15 1upm h VAL 145 Ca -0.27 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1upm h VAL 145 Cb 2.05 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1upm h VAL 145 CO 0.18 0.15 0.00 0.29 -1.23 0.00 0.00 177.57 176.96 1upm n LYS 146 N -4.51 0.13 -0.01 5.19 4.76 -0.84 -2.49 118.16 120.39 1upm n LYS 146 Ca 0.14 0.40 0.08 0.00 -2.87 0.00 0.00 58.31 56.07 1upm n LYS 146 Cb 0.29 -1.77 0.48 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.02 0.03 -4.35 -0.18 -2.24 -0.55 -4.88 114.28 100.09 1upm n THR 147 Ca 0.02 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1upm n THR 147 Cb 0.19 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.97 2.41 0.17 4.78 0.08 -1.04 -3.33 117.98 119.08 1upm s PHE 148 Ca 0.26 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.99 1upm s PHE 148 Cb 0.12 -1.29 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1upm s PHE 148 CO 0.20 0.37 1.41 0.37 -0.10 0.00 0.00 175.22 177.46 1upm h GLN 149 N 3.79 0.27 0.00 0.44 4.15 -1.88 -3.50 115.11 118.38 1upm h GLN 149 Ca -0.50 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 58.66 1upm h GLN 149 Cb 1.17 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1upm h GLN 149 CO 0.42 0.94 0.00 0.41 -1.93 0.00 0.00 178.83 178.68 1upm n GLY 150 N 0.72 -0.13 3.63 2.39 0.00 -0.63 -4.82 105.19 106.35 1upm n GLY 150 Ca -0.04 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.40 1.28 -0.31 1.61 -0.02 -1.25 -4.39 135.00 131.53 1upm n PRO 151 Ca 0.00 0.47 -0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1upm n PRO 151 Cb 0.00 -2.15 0.18 0.00 -0.02 0.00 0.00 33.50 31.51 1upm n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1upm h PRO 152 N 1.22 1.15 0.00 0.52 0.11 -1.84 -3.41 132.00 129.75 1upm h PRO 152 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1upm h PRO 152 Cb 1.34 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1upm h PRO 152 CO 0.55 0.76 0.00 0.72 -0.21 0.00 0.00 178.00 179.82 1upm n HIS 153 N -4.41 -0.83 0.00 0.65 8.25 -1.26 -4.69 115.22 112.92 1upm n HIS 153 Ca 0.11 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1upm n HIS 153 Cb 0.05 0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 2.64 0.53 0.16 -1.41 0.00 -1.26 -4.55 105.19 101.29 1upm n GLY 154 Ca 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 1upm n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1upm h ILE 155 N 0.00 0.65 -0.09 -0.61 2.04 -1.71 -1.56 117.51 116.23 1upm h ILE 155 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1upm h ILE 155 Cb 0.00 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1upm h ILE 155 CO 0.00 0.00 0.06 -0.61 0.00 0.00 0.00 178.15 177.60 1upm h GLN 156 N 0.02 0.11 -0.54 2.37 4.15 -1.89 -2.37 115.11 116.97 1upm h GLN 156 Ca 0.18 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 1upm h GLN 156 Cb 0.27 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1upm h GLN 156 CO -0.37 0.08 0.02 0.28 -1.93 0.00 0.00 178.83 176.91 1upm h VAL 157 N 0.12 1.26 -0.18 2.39 2.07 -1.77 -2.25 116.25 117.89 1upm h VAL 157 Ca 0.04 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1upm h VAL 157 Cb -0.01 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1upm h VAL 157 CO -0.01 0.38 -0.04 -0.08 0.02 0.00 0.00 177.57 177.84 1upm h GLU 158 N 0.81 0.01 -0.74 1.57 4.81 -1.17 0.33 114.58 120.20 1upm h GLU 158 Ca 0.15 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1upm h GLU 158 Cb 0.50 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1upm h GLU 158 CO 0.02 0.00 0.40 0.00 -0.73 0.00 0.00 179.01 178.70 1upm h ARG 159 N 0.01 1.03 -0.25 1.92 3.08 -1.31 -1.81 114.38 117.04 1upm h ARG 159 Ca 0.09 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1upm h ARG 159 Cb 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1upm h ARG 159 CO -0.18 0.76 0.02 -0.44 -1.07 0.00 0.00 179.97 179.06 1upm h ASP 160 N 1.03 0.41 -0.78 7.04 3.32 -0.79 0.14 116.42 126.79 1upm h ASP 160 Ca 0.26 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1upm h ASP 160 Cb 0.04 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.42 1upm h ASP 160 CO -0.04 0.59 0.48 0.11 -1.72 0.00 0.00 179.24 178.66 1upm h LYS 161 N 0.22 0.86 -0.00 3.56 1.79 -0.09 -3.04 116.57 119.87 1upm h LYS 161 Ca 0.07 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1upm h LYS 161 Cb 0.37 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1upm h LYS 161 CO 0.01 0.57 -0.44 1.28 -1.08 0.00 0.00 179.45 179.78 1upm n LEU 162 N -4.66 0.84 -3.50 2.94 4.77 -0.71 -4.96 117.00 111.72 1upm n LEU 162 Ca 0.10 -0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 1upm n LEU 162 Cb 0.15 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1upm n LEU 162 CO 0.31 0.18 0.23 -3.20 -1.33 0.00 0.00 177.39 173.58 1upm n ASN 163 N -1.08 -6.29 -4.06 -1.43 4.05 0.42 -4.65 115.26 102.22 1upm n ASN 163 Ca 0.08 -0.52 -0.32 0.00 0.45 0.00 0.00 54.58 54.28 1upm n ASN 163 Cb 0.35 -4.93 -0.16 0.00 1.23 0.00 0.00 39.78 36.28 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 -6.27 2.41 0.01 1.20 1.02 -0.82 -5.04 119.74 112.26 1upm s LYS 164 Ca 0.57 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1upm s LYS 164 Cb -0.25 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1upm s LYS 164 CO 0.70 -0.40 -0.03 0.71 -0.92 0.00 0.00 175.35 175.40 1upm s TYR 165 N 1.27 0.29 0.00 3.18 2.02 -1.26 -4.69 117.35 118.16 1upm s TYR 165 Ca -0.02 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1upm s TYR 165 Cb -0.16 -0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.21 1upm s TYR 165 CO -0.09 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 1upm n GLY 166 N 2.63 0.89 3.54 0.71 0.00 -1.26 -5.04 105.19 106.66 1upm n GLY 166 Ca -0.15 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1upm n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1upm s ARG 167 N -0.68 0.70 0.65 1.61 1.70 -1.26 -5.03 118.95 116.65 1upm s ARG 167 Ca 0.00 -0.07 -0.17 0.00 -0.47 0.00 0.00 55.73 55.02 1upm s ARG 167 Cb 0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1upm s ARG 167 CO 0.00 -0.27 0.71 -2.30 -1.08 0.00 0.00 175.30 172.36 1upm n PRO 168 N 0.24 0.53 -3.05 3.89 -0.02 -1.08 -4.79 135.00 130.72 1upm n PRO 168 Ca -0.09 0.22 -0.25 0.00 -2.02 0.00 0.00 63.50 61.36 1upm n PRO 168 Cb 0.60 -1.95 -0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1upm n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1upm s LEU 169 N -0.94 3.82 -0.14 2.45 1.43 -0.19 -4.95 118.68 120.16 1upm s LEU 169 Ca 0.71 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1upm s LEU 169 Cb -0.39 -3.51 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1upm s LEU 169 CO 0.53 -0.45 -0.18 -0.76 0.23 0.00 0.00 176.35 175.71 1upm s LEU 170 N -4.51 1.90 0.00 1.79 1.02 -1.26 -0.16 118.68 117.46 1upm s LEU 170 Ca 0.44 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.06 1upm s LEU 170 Cb -0.10 -1.28 -0.00 0.00 0.02 0.00 0.00 46.19 44.83 1upm s LEU 170 CO 0.40 0.02 0.00 0.61 0.02 0.00 0.00 176.35 177.40 1upm n GLY 171 N 4.34 4.08 3.20 -3.19 0.00 -0.43 -1.26 105.19 111.94 1upm n GLY 171 Ca -0.19 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 43.98 1upm n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upm s THR 173 N 2.31 4.47 0.25 0.00 2.01 -1.26 -4.36 115.64 119.05 1upm s THR 173 Ca -0.02 2.01 -0.30 0.00 0.31 0.00 0.00 61.69 63.69 1upm s THR 173 Cb -0.03 -4.28 -0.10 0.00 0.01 0.00 0.00 72.50 68.10 1upm s THR 173 CO -0.14 0.29 1.36 -0.63 -0.69 0.00 0.00 174.62 174.81 1upm s ILE 174 N 0.13 2.89 0.53 1.82 -1.09 -1.26 -4.44 121.20 119.77 1upm s ILE 174 Ca 0.48 0.76 0.05 0.00 -2.23 0.00 0.00 60.65 59.71 1upm s ILE 174 Cb -0.24 -3.49 0.05 0.00 -1.58 0.00 0.00 42.46 37.20 1upm s ILE 174 CO 0.30 0.13 0.40 0.29 -1.23 0.00 0.00 174.94 174.83 1upm n LYS 175 N 2.15 0.71 -0.45 2.79 4.76 -1.26 -4.39 118.16 122.46 1upm n LYS 175 Ca 0.05 -3.30 0.00 0.00 -2.87 0.00 0.00 58.31 52.20 1upm n LYS 175 Cb 0.41 0.35 0.00 0.00 -1.84 0.00 0.00 35.03 33.95 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 -1.74 0.00 -0.10 1.97 -0.01 -1.26 -4.93 135.00 128.93 1upm n PRO 176 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 63.50 63.36 1upm n PRO 176 Cb 0.60 -0.12 -0.05 0.00 -0.01 0.00 0.00 33.50 33.91 1upm n PRO 176 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 175.50 176.36 1upm h LYS 177 N 2.65 -0.35 -6.37 -0.52 1.57 -2.00 -3.43 116.57 108.13 1upm h LYS 177 Ca 0.00 0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 58.18 1upm h LYS 177 Cb 0.00 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.23 1upm h LYS 177 CO 0.00 -0.24 -0.79 -0.51 -0.57 0.00 0.00 179.45 177.35 1upm s LEU 178 N -10.46 2.51 0.00 2.94 1.43 -1.26 -4.68 118.68 109.15 1upm s LEU 178 Ca -0.15 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1upm s LEU 178 Cb 0.11 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1upm s LEU 178 CO 0.65 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.91 1upm n GLY 179 N -0.18 2.67 3.82 -3.19 0.00 -1.26 -5.09 105.19 101.95 1upm n GLY 179 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 3.54 0.57 0.99 1.43 -1.26 -5.01 118.68 118.94 1upm s LEU 180 Ca 0.00 1.70 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 1upm s LEU 180 Cb 0.00 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.72 1upm s LEU 180 CO 0.00 -0.92 0.84 -0.94 0.23 0.00 0.00 176.35 175.57 1upm s SER 181 N -2.95 5.47 0.15 2.29 1.04 -1.26 -4.49 113.70 113.95 1upm s SER 181 Ca 0.61 0.45 -0.18 0.00 0.48 0.00 0.00 55.95 57.31 1upm s SER 181 Cb -0.13 -1.43 0.05 0.00 0.10 0.00 0.00 66.02 64.60 1upm s SER 181 CO 0.35 -1.07 1.69 0.00 0.98 0.00 0.00 173.24 175.18 1upm h ALA 182 N -0.06 0.23 -0.07 5.32 0.00 -1.92 0.71 119.26 123.46 1upm h ALA 182 Ca -0.45 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1upm h ALA 182 Cb 1.27 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1upm h ALA 182 CO 0.58 -0.45 -0.36 -0.22 0.00 0.00 0.00 179.25 178.80 1upm h LYS 183 N 0.02 0.14 -0.01 0.00 3.64 -1.95 -2.69 116.57 115.71 1upm h LYS 183 Ca 0.16 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.29 1upm h LYS 183 Cb 0.23 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1upm h LYS 183 CO -0.32 0.49 -0.83 -0.91 -2.27 0.00 0.00 179.45 175.60 1upm h ASN 184 N 0.12 0.25 -0.26 4.20 -0.26 -1.69 -2.02 115.58 115.91 1upm h ASN 184 Ca 0.01 -0.19 0.05 0.00 -0.56 0.00 0.00 56.30 55.61 1upm h ASN 184 Cb 0.70 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.84 1upm h ASN 184 CO 0.05 0.97 -0.02 0.22 -1.06 0.00 0.00 177.43 177.60 1upm h TYR 185 N 0.11 -0.05 -0.54 1.19 3.20 -0.67 -1.17 116.97 119.04 1upm h TYR 185 Ca -0.04 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1upm h TYR 185 Cb 1.44 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 1upm h TYR 185 CO 0.03 -0.06 0.08 0.78 -1.64 0.00 0.00 178.16 177.35 1upm h GLY 186 N 0.06 0.97 0.68 1.82 0.00 -1.39 0.28 103.07 105.49 1upm h GLY 186 Ca 0.13 -0.65 0.04 0.00 0.00 0.00 0.00 47.33 46.84 1upm h GLY 186 CO -0.23 0.60 0.06 -0.09 0.00 0.00 0.00 176.54 176.89 1upm h ARG 187 N 0.79 0.16 -0.27 4.80 2.43 -1.24 -0.09 114.38 120.96 1upm h ARG 187 Ca 0.16 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1upm h ARG 187 Cb 0.41 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1upm h ARG 187 CO 0.01 0.11 0.09 0.00 -1.51 0.00 0.00 179.97 178.66 1upm h ALA 188 N 1.21 0.30 -0.59 2.80 0.00 -0.83 -2.70 119.26 119.45 1upm h ALA 188 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1upm h ALA 188 Cb 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1upm h ALA 188 CO -0.17 -0.32 0.37 0.28 0.00 0.00 0.00 179.25 179.41 1upm h VAL 189 N 0.20 1.09 -0.27 0.00 2.07 -0.63 -1.80 116.25 116.92 1upm h VAL 189 Ca 0.12 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1upm h VAL 189 Cb 0.09 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1upm h VAL 189 CO -0.13 0.13 0.16 0.22 0.02 0.00 0.00 177.57 177.97 1upm h TYR 190 N 0.74 0.36 -0.74 1.57 3.20 -0.90 -1.19 116.97 120.00 1upm h TYR 190 Ca 0.23 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 1upm h TYR 190 Cb -0.01 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1upm h TYR 190 CO -0.05 0.28 0.25 0.93 -1.64 0.00 0.00 178.16 177.92 1upm h GLU 191 N 0.33 1.14 0.54 1.82 4.39 -1.24 -1.93 114.58 119.63 1upm h GLU 191 Ca 0.10 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1upm h GLU 191 Cb 0.03 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1upm h GLU 191 CO -0.02 0.96 -0.26 0.00 -1.16 0.00 0.00 179.01 178.54 1upm h LEU 193 N -0.76 0.22 -0.25 0.00 3.38 -1.13 -1.99 115.31 114.78 1upm h LEU 193 Ca -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1upm h LEU 193 Cb 0.57 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1upm h LEU 193 CO 0.12 0.29 0.00 -2.11 0.09 0.00 0.00 178.44 176.83 1upm n ARG 194 N -4.37 0.19 0.00 1.13 1.85 -0.74 -2.59 116.66 112.14 1upm n ARG 194 Ca -0.00 0.27 0.12 0.00 -1.00 0.00 0.00 57.85 57.24 1upm n ARG 194 Cb 0.19 -1.77 0.31 0.00 -1.05 0.00 0.00 32.46 30.13 1upm n ARG 194 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1upm n GLY 195 N 0.76 -0.79 0.00 2.89 0.00 -0.75 -4.93 105.19 102.37 1upm n GLY 195 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.40 0.48 3.79 -0.02 0.00 -1.07 -2.30 105.19 107.48 1upm n GLY 196 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 4.04 0.04 0.99 1.43 -1.25 -4.83 118.68 119.10 1upm s LEU 197 Ca 0.00 1.97 -0.05 0.00 -1.03 0.00 0.00 54.13 55.02 1upm s LEU 197 Cb 0.00 -4.32 -0.29 0.00 0.03 0.00 0.00 46.19 41.61 1upm s LEU 197 CO 0.00 -0.56 1.02 0.44 0.23 0.00 0.00 176.35 177.49 1upm h ASP 198 N 2.19 0.46 -4.54 2.29 3.32 -1.51 -3.43 116.42 115.20 1upm h ASP 198 Ca -0.49 -0.54 -0.36 0.00 0.02 0.00 0.00 57.03 55.66 1upm h ASP 198 Cb 1.21 -0.15 -0.21 0.00 0.22 0.00 0.00 39.33 40.40 1upm h ASP 198 CO 0.61 1.43 -0.76 -0.36 -1.72 0.00 0.00 179.24 178.44 1upm s PHE 199 N -2.64 1.05 0.00 4.55 0.08 -0.49 -1.86 117.98 118.67 1upm s PHE 199 Ca -0.06 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.49 1upm s PHE 199 Cb 0.07 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.92 1upm s PHE 199 CO 0.88 0.01 0.00 0.25 -0.10 0.00 0.00 175.22 176.26 1upm n THR 200 N 1.22 0.00 -2.12 0.64 -2.24 -0.95 -3.08 114.28 107.75 1upm n THR 200 Ca -0.21 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 1upm n THR 200 Cb 0.55 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 6.66 0.60 3.42 1.01 -0.76 -1.25 116.67 127.35 1upm s ASP 202 Ca 0.00 2.65 -0.18 0.00 0.71 0.00 0.00 52.55 55.73 1upm s ASP 202 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1upm s ASP 202 CO 0.00 -0.61 1.16 -0.62 0.21 0.00 0.00 175.17 175.31 1upm s ASP 203 N -0.59 5.29 0.57 0.27 -1.08 -1.26 -4.89 116.67 114.98 1upm s ASP 203 Ca 0.51 2.23 0.26 0.00 -0.52 0.00 0.00 52.55 55.03 1upm s ASP 203 Cb -0.39 -2.58 1.60 0.00 -1.46 0.00 0.00 42.92 40.09 1upm s ASP 203 CO 0.51 -1.51 2.13 1.05 0.52 0.00 0.00 175.17 177.86 1upm h GLU 204 N 0.74 0.00 -0.01 4.34 9.09 -1.98 -0.97 114.58 125.79 1upm h GLU 204 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1upm h GLU 204 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1upm h GLU 204 CO 0.55 0.00 -0.60 0.27 0.05 0.00 0.00 179.01 179.28 1upm n ASN 205 N -4.00 1.66 -4.56 3.06 6.94 -1.26 -4.79 115.26 112.30 1upm n ASN 205 Ca 0.01 -1.33 -0.40 0.00 -0.02 0.00 0.00 54.58 52.84 1upm n ASN 205 Cb 0.27 0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 38.30 1upm n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1upm s VAL 206 N -2.52 3.40 0.00 3.53 1.01 -0.37 -4.84 120.40 120.61 1upm s VAL 206 Ca 0.14 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1upm s VAL 206 Cb 0.16 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1upm s VAL 206 CO 0.62 -0.75 0.00 0.59 0.00 0.00 0.00 175.10 175.56 1upm n ASN 207 N 12.04 0.00 -3.88 3.32 5.03 -1.26 -4.76 115.26 125.75 1upm n ASN 207 Ca 0.21 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.45 1upm n ASN 207 Cb 0.51 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.10 1upm n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1upm s SER 208 N 1.00 1.25 0.19 6.41 0.15 -1.26 -4.16 113.70 117.28 1upm s SER 208 Ca 0.00 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 1upm s SER 208 Cb 0.00 -0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 63.77 1upm s SER 208 CO 0.00 -0.08 0.26 -1.10 1.20 0.00 0.00 173.24 173.52 1upm s GLN 209 N 1.16 1.24 0.38 5.44 1.11 -0.30 -4.93 119.66 123.76 1upm s GLN 209 Ca -0.07 -1.37 0.12 0.00 0.01 0.00 0.00 55.36 54.05 1upm s GLN 209 Cb -0.14 0.35 0.92 0.00 -1.01 0.00 0.00 33.01 33.13 1upm s GLN 209 CO -0.01 -0.45 1.86 -1.35 0.01 0.00 0.00 175.29 175.35 1upm h PRO 210 N 2.54 0.56 0.00 2.91 0.11 -2.01 0.51 132.00 136.61 1upm h PRO 210 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1upm h PRO 210 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1upm h PRO 210 CO 0.48 0.37 0.00 1.97 -0.21 0.00 0.00 178.00 180.61 1upm n PHE 211 N -4.56 0.52 -3.15 0.65 1.16 -1.26 -4.78 117.46 106.04 1upm n PHE 211 Ca 0.19 0.16 0.05 0.00 -1.87 0.00 0.00 57.45 55.98 1upm n PHE 211 Cb 0.57 -0.77 -0.02 0.00 -1.61 0.00 0.00 39.48 37.66 1upm n PHE 211 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1upm s MET 212 N -3.09 0.18 0.24 3.97 0.00 0.17 -4.24 119.30 116.52 1upm s MET 212 Ca 0.10 0.31 -0.16 0.00 0.00 0.00 0.00 55.69 55.95 1upm s MET 212 Cb 0.14 0.17 -0.08 0.00 0.00 0.00 0.00 34.83 35.06 1upm s MET 212 CO 0.51 -0.21 0.67 1.03 0.00 0.00 0.00 175.02 177.01 1upm s ARG 213 N 2.95 4.06 0.23 4.11 1.81 -1.22 -1.15 118.95 129.74 1upm s ARG 213 Ca 0.00 0.65 -0.07 0.00 -1.72 0.00 0.00 55.73 54.58 1upm s ARG 213 Cb -0.10 -2.73 0.26 0.00 -0.45 0.00 0.00 34.95 31.94 1upm s ARG 213 CO -0.11 0.33 1.87 0.11 -0.68 0.00 0.00 175.30 176.81 1upm h TRP 214 N 2.99 0.98 -0.23 -0.53 5.08 -1.91 -2.88 115.95 119.45 1upm h TRP 214 Ca -0.48 0.03 -0.16 0.00 1.08 0.00 0.00 58.89 59.36 1upm h TRP 214 Cb 1.18 -0.32 -0.01 0.00 -3.00 0.00 0.00 29.16 27.02 1upm h TRP 214 CO 0.63 0.55 -0.51 -0.09 -1.28 0.00 0.00 178.44 177.74 1upm h ARG 215 N 1.01 0.65 -0.95 0.12 2.43 -1.95 -0.17 114.38 115.53 1upm h ARG 215 Ca 0.34 -0.39 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1upm h ARG 215 Cb 0.04 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 1upm h ARG 215 CO -0.13 1.01 0.62 -0.44 -1.51 0.00 0.00 179.97 179.52 1upm h ASP 216 N 0.51 1.02 -0.05 -3.80 3.32 -1.97 -2.66 116.42 112.80 1upm h ASP 216 Ca 0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1upm h ASP 216 Cb 1.07 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1upm h ASP 216 CO 0.10 0.69 -0.00 -0.09 -1.72 0.00 0.00 179.24 178.22 1upm h ARG 217 N 1.18 0.08 -0.52 3.56 2.43 -1.15 -2.47 114.38 117.48 1upm h ARG 217 Ca 0.38 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.63 1upm h ARG 217 Cb 0.03 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.48 1upm h ARG 217 CO -0.13 0.37 0.01 0.74 -1.51 0.00 0.00 179.97 179.45 1upm h PHE 218 N -0.22 -0.01 -0.50 2.20 -1.00 -1.01 0.15 116.94 116.55 1upm h PHE 218 Ca 0.01 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 1upm h PHE 218 Cb 0.33 0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1upm h PHE 218 CO 0.03 -0.11 0.31 1.25 -1.61 0.00 0.00 178.31 178.18 1upm h LEU 219 N 0.13 0.60 -0.29 1.54 6.46 -1.48 -0.84 115.31 121.43 1upm h LEU 219 Ca 0.27 -0.05 -0.20 0.00 -0.12 0.00 0.00 57.88 57.78 1upm h LEU 219 Cb 0.41 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1upm h LEU 219 CO -0.43 0.47 -0.85 -0.26 -0.62 0.00 0.00 178.44 176.75 1upm h PHE 220 N 0.68 0.49 -0.14 1.25 0.04 -0.92 -2.74 116.94 115.59 1upm h PHE 220 Ca 0.18 -0.25 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 1upm h PHE 220 Cb -0.02 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1upm h PHE 220 CO -0.03 1.04 -0.37 0.00 -0.60 0.00 0.00 178.31 178.35 1upm h ALA 222 N 1.36 0.32 -0.51 0.00 0.00 -1.07 0.47 119.26 119.84 1upm h ALA 222 Ca 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1upm h ALA 222 Cb 0.77 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1upm h ALA 222 CO 0.06 -0.14 0.29 1.49 0.00 0.00 0.00 179.25 180.95 1upm h GLU 223 N 0.29 0.56 0.21 0.00 4.81 -1.18 -2.18 114.58 117.08 1upm h GLU 223 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1upm h GLU 223 Cb 0.08 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1upm h GLU 223 CO -0.01 0.37 -0.10 0.00 -0.73 0.00 0.00 179.01 178.53 1upm h ALA 224 N 1.24 -0.28 -0.86 2.92 0.00 -1.18 -1.92 119.26 119.17 1upm h ALA 224 Ca 0.21 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1upm h ALA 224 Cb 0.06 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1upm h ALA 224 CO -0.11 -0.59 0.54 1.37 0.00 0.00 0.00 179.25 180.46 1upm h LEU 225 N -0.43 0.87 -0.94 0.00 8.10 -0.81 -1.74 115.31 120.37 1upm h LEU 225 Ca -0.03 0.01 -0.06 0.00 0.11 0.00 0.00 57.88 57.91 1upm h LEU 225 Cb 0.33 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.35 1upm h LEU 225 CO 0.05 0.57 0.07 1.88 -4.11 0.00 0.00 178.44 176.89 1upm h TYR 226 N 1.01 0.89 -0.76 0.17 0.05 -1.35 -0.69 116.97 116.29 1upm h TYR 226 Ca 0.37 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 59.00 1upm h TYR 226 Cb 0.12 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 1upm h TYR 226 CO -0.03 0.78 0.33 -0.22 -1.05 0.00 0.00 178.16 177.97 1upm h LYS 227 N 0.80 1.12 -0.31 4.88 3.64 -0.81 -2.30 116.57 123.60 1upm h LYS 227 Ca 0.16 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1upm h LYS 227 Cb 0.38 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1upm h LYS 227 CO 0.01 0.90 -0.30 0.00 -2.27 0.00 0.00 179.45 177.78 1upm h ALA 228 N 1.17 0.45 -0.73 5.00 0.00 -0.97 -2.41 119.26 121.77 1upm h ALA 228 Ca 0.26 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1upm h ALA 228 Cb 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1upm h ALA 228 CO -0.03 0.48 0.39 0.37 0.00 0.00 0.00 179.25 180.46 1upm h GLN 229 N 0.51 0.64 -0.08 0.00 4.15 -1.08 -1.86 115.11 117.38 1upm h GLN 229 Ca 0.05 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.27 1upm h GLN 229 Cb 0.88 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1upm h GLN 229 CO 0.08 0.42 -0.66 0.00 -1.93 0.00 0.00 178.83 176.74 1upm h ALA 230 N 1.43 0.71 -0.37 3.38 0.00 -1.29 -0.24 119.26 122.88 1upm h ALA 230 Ca 0.36 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1upm h ALA 230 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1upm h ALA 230 CO -0.25 0.75 -0.12 1.49 0.00 0.00 0.00 179.25 181.12 1upm h GLU 231 N 0.24 0.72 0.00 0.00 4.81 -1.20 -3.35 114.58 115.80 1upm h GLU 231 Ca -0.02 -0.29 -0.27 0.00 -0.13 0.00 0.00 59.36 58.65 1upm h GLU 231 Cb 1.20 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 1upm h GLU 231 CO 0.11 0.89 -1.81 0.25 -0.73 0.00 0.00 179.01 177.71 1upm n THR 232 N -4.36 1.42 -0.83 0.32 -2.24 -0.72 -4.99 114.28 102.89 1upm n THR 232 Ca -0.02 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1upm n THR 232 Cb 0.37 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 1.56 0.57 3.39 3.38 0.00 -0.11 -5.06 105.19 108.93 1upm n GLY 233 Ca -0.19 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.35 1.67 0.33 1.61 2.02 -1.25 -5.07 118.70 117.65 1upm s GLU 234 Ca 0.00 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 53.50 1upm s GLU 234 Cb 0.00 -1.99 -0.10 0.00 0.10 0.00 0.00 34.13 32.14 1upm s GLU 234 CO 0.00 0.49 1.27 0.42 0.02 0.00 0.00 175.26 177.46 1upm s ILE 235 N -0.96 2.84 0.19 -1.63 1.01 -1.26 -4.51 121.20 116.87 1upm s ILE 235 Ca 0.14 0.84 0.09 0.00 0.00 0.00 0.00 60.65 61.72 1upm s ILE 235 Cb -0.10 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1upm s ILE 235 CO 0.05 0.20 -0.18 -0.54 0.00 0.00 0.00 174.94 174.47 1upm s LYS 236 N -1.75 1.35 0.03 2.79 -0.14 -1.26 -4.89 119.74 115.87 1upm s LYS 236 Ca 0.48 -1.50 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 1upm s LYS 236 Cb -0.38 -1.38 -0.02 0.00 -1.68 0.00 0.00 37.83 34.36 1upm s LYS 236 CO 0.51 0.27 -0.04 0.20 -0.76 0.00 0.00 175.35 175.53 1upm s GLY 237 N -2.90 0.32 -0.09 -3.33 0.00 -0.78 -4.80 107.32 95.74 1upm s GLY 237 Ca 0.19 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1upm s GLY 237 CO 0.08 -0.77 -0.08 -1.58 0.00 0.00 0.00 173.10 170.75 1upm s HIS 238 N -1.73 1.38 -0.58 1.90 2.46 -1.26 -2.25 115.29 115.20 1upm s HIS 238 Ca -0.12 -0.61 -0.28 0.00 0.47 0.00 0.00 55.06 54.52 1upm s HIS 238 Cb -0.08 -1.12 0.01 0.00 -0.13 0.00 0.00 32.58 31.26 1upm s HIS 238 CO -0.02 -0.41 1.45 0.71 -2.47 0.00 0.00 174.74 174.00 1upm s TYR 239 N 1.37 2.21 -0.01 3.88 2.02 -0.38 -4.73 117.35 121.72 1upm s TYR 239 Ca -0.02 0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.83 1upm s TYR 239 Cb -0.14 -4.39 -0.03 0.00 -0.40 0.00 0.00 41.96 37.01 1upm s TYR 239 CO -0.04 -2.04 1.03 -0.51 -1.57 0.00 0.00 175.55 172.42 1upm s LEU 240 N 6.33 4.35 -0.15 -1.29 1.43 -1.21 -1.84 118.68 126.31 1upm s LEU 240 Ca 0.52 1.70 -0.22 0.00 -1.03 0.00 0.00 54.13 55.10 1upm s LEU 240 Cb -0.11 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1upm s LEU 240 CO 0.24 -0.34 0.67 0.21 0.23 0.00 0.00 176.35 177.36 1upm s ASN 241 N 1.05 6.82 0.00 2.29 3.04 -1.26 -1.10 114.94 125.78 1upm s ASN 241 Ca 0.53 0.99 0.23 0.00 0.04 0.00 0.00 52.86 54.65 1upm s ASN 241 Cb -0.22 -2.38 0.04 0.00 -1.54 0.00 0.00 41.25 37.15 1upm s ASN 241 CO 0.26 -0.22 1.13 0.00 -3.04 0.00 0.00 177.10 175.23 1upm n ALA 242 N 4.58 3.39 -1.67 1.71 0.00 -0.74 -4.93 120.51 122.85 1upm n ALA 242 Ca -0.01 -0.65 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 1upm n ALA 242 Cb 0.50 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 0.17 2.47 -3.83 0.00 -1.04 -1.26 -4.31 114.28 106.48 1upm n THR 243 Ca 0.10 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.58 1upm n THR 243 Cb 0.49 -1.43 0.01 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 -1.20 -1.58 -0.24 2.41 0.00 -1.26 -4.81 121.76 115.08 1upm s ALA 244 Ca 0.61 -0.18 0.17 0.00 0.00 0.00 0.00 51.96 52.57 1upm s ALA 244 Cb -0.53 0.70 0.13 0.00 0.00 0.00 0.00 23.12 23.42 1upm s ALA 244 CO 0.58 -1.05 1.46 0.78 0.00 0.00 0.00 175.76 177.53 1upm h GLY 245 N 2.00 0.00 -2.97 0.00 0.00 -1.96 -3.47 103.07 96.67 1upm h GLY 245 Ca -0.27 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.82 1upm h GLY 245 CO 0.32 0.00 -0.70 -0.51 0.00 0.00 0.00 176.54 175.66 1upm s THR 246 N -3.04 0.78 0.20 4.70 -4.23 -1.26 -5.06 115.64 107.74 1upm s THR 246 Ca 0.05 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.50 1upm s THR 246 Cb 0.07 -1.73 0.14 0.00 1.34 0.00 0.00 72.50 72.33 1upm s THR 246 CO 0.73 -0.84 1.82 0.00 -0.54 0.00 0.00 174.62 175.79 1upm h GLU 248 N 1.02 0.24 -0.47 0.00 3.07 -1.99 0.70 114.58 117.16 1upm h GLU 248 Ca 0.26 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.06 1upm h GLU 248 Cb 0.03 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1upm h GLU 248 CO -0.04 0.16 0.12 -0.44 -1.40 0.00 0.00 179.01 177.40 1upm h ASP 249 N 0.25 0.71 -0.70 1.42 5.19 -1.92 -0.72 116.42 120.65 1upm h ASP 249 Ca 0.27 -0.23 0.06 0.00 -0.62 0.00 0.00 57.03 56.51 1upm h ASP 249 Cb 0.37 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 1upm h ASP 249 CO -0.34 0.76 0.39 -0.03 -3.12 0.00 0.00 179.24 176.90 1upm h MET 250 N 0.63 0.70 -0.37 3.56 1.85 -1.06 -2.47 114.93 117.77 1upm h MET 250 Ca 0.15 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 59.11 1upm h MET 250 Cb 0.32 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.18 1upm h MET 250 CO 0.00 0.46 -0.14 0.52 -0.40 0.00 0.00 176.91 177.36 1upm h MET 251 N 0.72 0.66 -0.56 0.39 2.86 -0.51 -2.59 114.93 115.91 1upm h MET 251 Ca 0.31 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1upm h MET 251 Cb 0.19 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1upm h MET 251 CO -0.19 0.78 0.24 0.87 1.06 0.00 0.00 176.91 179.67 1upm h LYS 252 N 0.60 0.80 -0.18 1.72 1.57 -0.68 0.74 116.57 121.14 1upm h LYS 252 Ca 0.10 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1upm h LYS 252 Cb 0.58 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.75 1upm h LYS 252 CO 0.04 0.64 -0.70 0.00 -0.57 0.00 0.00 179.45 178.86 1upm h ARG 253 N 0.79 0.76 -0.52 3.15 3.08 -1.21 -2.74 114.38 117.69 1upm h ARG 253 Ca 0.19 -0.58 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 1upm h ARG 253 Cb 0.13 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1upm h ARG 253 CO -0.02 1.19 0.26 0.00 -1.07 0.00 0.00 179.97 180.34 1upm h ALA 254 N 0.65 0.67 -0.65 0.04 0.00 -1.12 -2.10 119.26 116.75 1upm h ALA 254 Ca -0.03 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1upm h ALA 254 Cb 1.32 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1upm h ALA 254 CO 0.14 0.22 0.21 0.28 0.00 0.00 0.00 179.25 180.10 1upm h VAL 255 N 0.69 0.68 -0.01 0.00 2.07 -0.86 -1.21 116.25 117.60 1upm h VAL 255 Ca 0.18 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 67.40 1upm h VAL 255 Cb 0.09 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1upm h VAL 255 CO -0.03 0.06 -0.81 0.15 0.02 0.00 0.00 177.57 176.97 1upm h PHE 256 N 0.35 0.28 -0.66 1.57 3.57 -1.25 -1.71 116.94 119.09 1upm h PHE 256 Ca 0.34 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1upm h PHE 256 Cb 0.50 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1upm h PHE 256 CO -0.20 0.92 0.42 0.00 -2.23 0.00 0.00 178.31 177.21 1upm h ALA 257 N 1.04 0.86 -0.10 2.41 0.00 -1.14 -1.20 119.26 121.13 1upm h ALA 257 Ca -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1upm h ALA 257 Cb 1.40 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1upm h ALA 257 CO 0.12 0.20 -0.25 -0.09 0.00 0.00 0.00 179.25 179.23 1upm h ARG 258 N 0.83 -0.32 -1.00 0.00 1.12 -0.94 -1.97 114.38 112.11 1upm h ARG 258 Ca 0.26 0.02 0.16 0.00 -1.11 0.00 0.00 59.98 59.31 1upm h ARG 258 Cb -0.01 0.07 -0.10 0.00 -0.01 0.00 0.00 29.97 29.92 1upm h ARG 258 CO -0.09 -0.21 0.62 1.49 -3.11 0.00 0.00 179.97 178.67 1upm h GLU 259 N -0.33 0.82 0.00 0.20 4.81 -1.05 0.12 114.58 119.15 1upm h GLU 259 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1upm h GLU 259 Cb 0.46 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1upm h GLU 259 CO -0.29 0.55 0.00 -0.07 -0.73 0.00 0.00 179.01 178.47 1upm h LEU 260 N 0.85 0.00 0.04 1.64 3.38 -0.51 -3.47 115.31 117.24 1upm h LEU 260 Ca 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 1upm h LEU 260 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1upm h LEU 260 CO -0.32 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 178.80 1upm n GLY 261 N 0.57 0.43 3.90 0.83 0.00 0.40 -5.03 105.19 106.29 1upm n GLY 261 Ca 0.03 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.03 4.87 -0.28 1.61 -7.23 -1.22 -5.03 120.40 111.08 1upm s VAL 262 Ca 0.00 0.35 0.22 0.00 -1.81 0.00 0.00 61.98 60.74 1upm s VAL 262 Cb 0.00 -3.83 0.08 0.00 0.56 0.00 0.00 36.38 33.19 1upm s VAL 262 CO 0.00 -0.77 1.19 1.55 -0.31 0.00 0.00 175.10 176.75 1upm h PRO 263 N 0.49 0.00 -2.65 4.82 0.13 -1.92 -3.45 132.00 129.42 1upm h PRO 263 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1upm h PRO 263 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 1upm h PRO 263 CO 0.62 0.01 -0.22 -1.50 -0.23 0.00 0.00 178.00 176.68 1upm s ILE 264 N -3.31 -0.01 0.51 -3.56 2.07 -1.26 -1.41 121.20 114.23 1upm s ILE 264 Ca 0.01 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.30 1upm s ILE 264 Cb 0.08 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 1upm s ILE 264 CO 0.76 0.01 0.04 0.68 -1.91 0.00 0.00 174.94 174.52 1upm s VAL 265 N 0.61 1.28 0.11 4.00 -7.23 -0.48 -3.29 120.40 115.40 1upm s VAL 265 Ca -0.03 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1upm s VAL 265 Cb -0.05 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1upm s VAL 265 CO -0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 175.10 174.74 1upm s MET 266 N -3.90 0.87 -0.05 4.82 0.23 -0.26 -1.28 119.30 119.74 1upm s MET 266 Ca 0.11 -1.38 -0.10 0.00 -1.03 0.00 0.00 55.69 53.28 1upm s MET 266 Cb 0.02 -0.03 0.02 0.00 -1.53 0.00 0.00 34.83 33.31 1upm s MET 266 CO 0.06 -0.12 0.24 -1.58 -2.03 0.00 0.00 175.02 171.59 1upm s HIS 267 N -3.79 -0.18 -0.69 3.16 5.04 -0.63 -1.79 115.29 116.41 1upm s HIS 267 Ca 0.17 0.38 -0.18 0.00 -1.54 0.00 0.00 55.06 53.89 1upm s HIS 267 Cb 0.07 0.06 0.13 0.00 0.04 0.00 0.00 32.58 32.88 1upm s HIS 267 CO -0.02 -0.24 0.79 -0.51 -2.34 0.00 0.00 174.74 172.41 1upm s ASP 268 N -0.62 6.36 0.32 9.88 1.01 -1.26 -1.40 116.67 130.96 1upm s ASP 268 Ca -0.07 -1.76 0.12 0.00 0.71 0.00 0.00 52.55 51.55 1upm s ASP 268 Cb -0.04 -2.30 0.52 0.00 1.01 0.00 0.00 42.92 42.11 1upm s ASP 268 CO 0.02 -1.01 1.70 0.10 0.21 0.00 0.00 175.17 176.18 1upm h TYR 269 N 8.89 0.00 0.12 4.23 -0.00 -1.87 0.14 116.97 128.48 1upm h TYR 269 Ca -0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 58.73 58.27 1upm h TYR 269 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.79 1upm h TYR 269 CO 0.92 0.51 -1.54 -0.07 -0.00 0.00 0.00 178.16 177.99 1upm h LEU 270 N 0.00 0.41 0.20 0.10 3.38 -1.81 0.82 115.31 118.41 1upm h LEU 270 Ca -0.01 -0.56 -0.32 0.00 0.09 0.00 0.00 57.88 57.08 1upm h LEU 270 Cb 0.92 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.57 1upm h LEU 270 CO 0.07 1.47 -1.40 0.71 0.09 0.00 0.00 178.44 179.38 1upm h THR 271 N 0.07 1.32 -0.22 0.22 1.35 -1.68 -3.21 112.91 110.76 1upm h THR 271 Ca -0.25 -2.71 -0.03 0.00 -0.55 0.00 0.00 66.41 62.88 1upm h THR 271 Cb 2.02 2.96 -0.01 0.00 -1.73 0.00 0.00 68.15 71.39 1upm h THR 271 CO 0.16 0.81 0.03 1.23 -0.25 0.00 0.00 175.52 177.51 1upm h GLY 272 N 0.42 0.39 0.00 5.82 0.00 -0.90 -3.50 103.07 105.29 1upm h GLY 272 Ca -0.22 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1upm h GLY 272 CO 0.26 0.24 0.00 0.61 0.00 0.00 0.00 176.54 177.65 1upm n GLY 273 N -0.43 2.49 0.16 4.60 0.00 0.28 -4.67 105.19 107.62 1upm n GLY 273 Ca -0.04 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 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 0.61 -0.28 1.61 0.04 -1.89 -0.22 116.94 116.81 1upm h PHE 274 Ca 0.00 -0.25 0.06 0.00 2.80 0.00 0.00 57.97 60.59 1upm h PHE 274 Cb 0.00 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 37.97 1upm h PHE 274 CO 0.00 0.99 -0.35 1.15 -0.60 0.00 0.00 178.31 179.49 1upm h THR 275 N 0.06 0.22 -0.56 -1.55 2.02 -1.94 0.05 112.91 111.21 1upm h THR 275 Ca -0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1upm h THR 275 Cb 1.00 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1upm h THR 275 CO 0.08 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.16 1upm h ALA 276 N 0.51 1.29 -0.01 6.16 0.00 -1.82 -2.78 119.26 122.62 1upm h ALA 276 Ca 0.13 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1upm h ALA 276 Cb 0.56 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1upm h ALA 276 CO -0.46 0.51 -0.58 -0.97 0.00 0.00 0.00 179.25 177.75 1upm h ASN 277 N 0.81 0.03 -0.24 0.00 -0.73 -0.33 -2.50 115.58 112.62 1upm h ASN 277 Ca 0.19 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.24 1upm h ASN 277 Cb 0.20 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.78 1upm h ASN 277 CO -0.01 0.60 -0.25 0.74 -0.37 0.00 0.00 177.43 178.14 1upm h THR 278 N 0.02 1.32 -0.69 -3.57 2.02 -0.85 -0.76 112.91 110.40 1upm h THR 278 Ca -0.01 -1.42 0.14 0.00 0.77 0.00 0.00 66.41 65.90 1upm h THR 278 Cb 1.03 1.69 -0.10 0.00 -1.74 0.00 0.00 68.15 69.03 1upm h THR 278 CO 0.08 0.44 0.18 0.74 0.37 0.00 0.00 175.52 177.33 1upm h THR 279 N 0.29 0.59 0.06 3.16 2.02 -1.29 -0.82 112.91 116.92 1upm h THR 279 Ca 0.04 -0.10 -0.24 0.00 0.77 0.00 0.00 66.41 66.87 1upm h THR 279 Cb 0.81 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1upm h THR 279 CO 0.06 0.05 -1.12 0.25 0.37 0.00 0.00 175.52 175.14 1upm h LEU 280 N 0.30 0.20 -0.31 2.58 5.85 -1.17 -2.52 115.31 120.24 1upm h LEU 280 Ca 0.38 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1upm h LEU 280 Cb 0.60 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1upm h LEU 280 CO -0.45 1.17 0.20 -1.28 -0.34 0.00 0.00 178.44 177.74 1upm h SER 281 N 0.04 0.36 -0.74 1.25 0.87 -0.69 -0.73 113.55 113.91 1upm h SER 281 Ca -0.07 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1upm h SER 281 Cb 1.87 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.70 1upm h SER 281 CO 0.17 0.28 0.47 0.45 -0.53 0.00 0.00 176.83 177.67 1upm h HIS 282 N 0.41 0.96 -0.40 2.24 3.86 -1.09 -1.91 115.15 119.22 1upm h HIS 282 Ca 0.11 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 1upm h HIS 282 Cb -0.02 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1upm h HIS 282 CO -0.05 0.63 -0.27 -0.92 0.86 0.00 0.00 177.93 178.18 1upm h TYR 283 N 1.02 0.99 -0.28 2.45 3.20 -1.29 -1.38 116.97 121.68 1upm h TYR 283 Ca 0.27 -0.25 -0.15 0.00 3.14 0.00 0.00 58.73 61.74 1upm h TYR 283 Cb -0.07 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1upm h TYR 283 CO 0.00 1.02 -0.43 0.00 -1.64 0.00 0.00 178.16 177.12 1upm h ARG 285 N 0.58 -0.16 0.00 0.00 9.65 -1.21 -1.21 114.38 122.02 1upm h ARG 285 Ca 0.04 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1upm h ARG 285 Cb 0.98 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1upm h ARG 285 CO 0.09 -0.11 0.11 -0.44 2.80 0.00 0.00 179.97 182.42 1upm h ASP 286 N -0.17 0.00 0.00 -3.80 3.32 -1.13 -3.18 116.42 111.46 1upm h ASP 286 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1upm h ASP 286 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1upm h ASP 286 CO 0.02 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 1upm n ASN 287 N -2.59 0.91 -0.62 6.45 3.02 -0.79 -5.01 115.26 116.64 1upm n ASN 287 Ca -0.02 -1.44 -0.06 0.00 -0.03 0.00 0.00 54.58 53.02 1upm n ASN 287 Cb 0.15 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.22 0.50 3.75 7.41 0.00 -0.55 -5.02 105.19 111.07 1upm n GLY 288 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1upm n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upm s LEU 289 N -1.67 4.24 0.50 0.99 1.43 -0.67 -4.96 118.68 118.53 1upm s LEU 289 Ca 0.00 0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.15 1upm s LEU 289 Cb 0.00 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 1upm s LEU 289 CO 0.00 0.21 1.27 -0.76 0.23 0.00 0.00 176.35 177.29 1upm s LEU 290 N 0.18 3.95 -0.30 1.79 1.43 -0.50 -4.61 118.68 120.62 1upm s LEU 290 Ca 0.09 2.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.76 1upm s LEU 290 Cb -0.11 -4.23 0.09 0.00 0.03 0.00 0.00 46.19 41.97 1upm s LEU 290 CO -0.01 -1.22 0.04 -0.22 0.23 0.00 0.00 176.35 175.18 1upm s LEU 291 N -3.21 3.27 -0.10 1.79 2.96 -1.26 -1.38 118.68 120.75 1upm s LEU 291 Ca 0.67 -1.73 -0.27 0.00 -0.22 0.00 0.00 54.13 52.58 1upm s LEU 291 Cb -0.35 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1upm s LEU 291 CO 0.42 -0.36 0.86 -2.28 -1.32 0.00 0.00 176.35 173.67 1upm s HIS 292 N 1.29 3.53 -0.15 5.38 5.65 -0.40 -0.25 115.29 130.34 1upm s HIS 292 Ca 0.07 1.41 -0.04 0.00 0.25 0.00 0.00 55.06 56.74 1upm s HIS 292 Cb -0.18 -3.02 -0.03 0.00 -1.18 0.00 0.00 32.58 28.17 1upm s HIS 292 CO -0.14 -0.11 -0.01 0.42 -0.65 0.00 0.00 174.74 174.25 1upm s ILE 293 N 1.56 4.13 -0.08 0.89 -1.09 -0.66 -1.60 121.20 124.36 1upm s ILE 293 Ca 0.43 -0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.56 1upm s ILE 293 Cb -0.18 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1upm s ILE 293 CO 0.18 0.50 -0.03 -2.28 -1.23 0.00 0.00 174.94 172.09 1upm s HIS 294 N 0.16 3.07 -0.41 3.97 5.65 -0.49 -3.02 115.29 124.22 1upm s HIS 294 Ca 0.00 0.13 0.05 0.00 0.25 0.00 0.00 55.06 55.49 1upm s HIS 294 Cb -0.13 -1.76 0.62 0.00 -1.18 0.00 0.00 32.58 30.13 1upm s HIS 294 CO 0.02 0.42 1.79 2.89 -0.65 0.00 0.00 174.74 179.21 1upm n ARG 295 N 2.16 2.16 -1.53 2.88 1.85 -1.26 -2.95 116.66 119.97 1upm n ARG 295 Ca -0.18 -3.08 -0.53 0.00 -1.00 0.00 0.00 57.85 53.06 1upm n ARG 295 Cb 0.53 -2.08 -0.06 0.00 -1.05 0.00 0.00 32.46 29.80 1upm n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1upm n ALA 296 N -1.13 -2.12 0.00 2.89 0.00 -1.26 -1.12 120.51 117.77 1upm n ALA 296 Ca 0.53 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.48 1upm n ALA 296 Cb 1.46 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 1.69 0.00 -0.29 0.00 0.00 -1.26 -4.21 117.12 113.06 1upm n MET 297 Ca 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.70 57.84 1upm n MET 297 Cb 0.18 -0.54 0.07 0.00 0.00 0.00 0.00 33.22 32.93 1upm n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1upm h HIS 298 N 0.00 1.00 0.00 1.12 -0.00 -1.55 -2.53 115.15 113.19 1upm h HIS 298 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1upm h HIS 298 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.07 1upm h HIS 298 CO 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 177.93 178.56 1upm h ALA 299 N 1.29 1.00 -0.93 6.11 0.00 -1.93 0.23 119.26 125.03 1upm h ALA 299 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1upm h ALA 299 Cb -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1upm h ALA 299 CO -0.06 0.00 0.60 0.28 0.00 0.00 0.00 179.25 180.07 1upm h VAL 300 N 0.00 1.03 0.04 0.00 2.07 -1.87 -3.12 116.25 114.40 1upm h VAL 300 Ca 0.00 -0.35 -0.37 0.00 0.82 0.00 0.00 66.70 66.80 1upm h VAL 300 Cb 0.22 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 1upm h VAL 300 CO 0.00 0.19 -2.25 -0.38 0.02 0.00 0.00 177.57 175.14 1upm n ILE 301 N -4.51 1.59 -0.14 4.57 5.41 0.65 -4.72 119.36 122.21 1upm n ILE 301 Ca 0.15 -0.65 0.06 0.00 1.00 0.00 0.00 62.75 63.31 1upm n ILE 301 Cb 0.24 -1.40 0.15 0.00 -0.71 0.00 0.00 39.64 37.92 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 -3.27 2.87 -0.03 4.38 5.68 -0.25 -2.49 116.55 123.45 1upm n ASP 302 Ca -0.38 -1.97 -0.15 0.00 -0.50 0.00 0.00 54.79 51.79 1upm n ASP 302 Cb 1.03 -0.22 -0.12 0.00 -1.14 0.00 0.00 41.12 40.67 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 2.05 0.14 -6.49 0.11 9.65 -1.79 -3.42 114.38 114.62 1upm h ARG 303 Ca 0.00 -0.17 -0.53 0.00 -1.10 0.00 0.00 59.98 58.18 1upm h ARG 303 Cb 0.72 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.32 1upm h ARG 303 CO 0.00 0.97 0.04 -0.65 2.80 0.00 0.00 179.97 183.13 1upm s GLN 304 N -2.84 4.14 0.23 0.20 -1.52 -1.26 -4.30 119.66 114.30 1upm s GLN 304 Ca -0.16 0.72 0.10 0.00 -1.95 0.00 0.00 55.36 54.07 1upm s GLN 304 Cb -0.00 -2.86 0.17 0.00 -0.22 0.00 0.00 33.01 30.10 1upm s GLN 304 CO 0.74 0.40 1.50 -0.22 -0.25 0.00 0.00 175.29 177.46 1upm h LYS 305 N 3.37 0.00 0.00 2.91 3.64 -1.89 -3.29 116.57 121.31 1upm h LYS 305 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1upm h LYS 305 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1upm h LYS 305 CO 0.65 0.72 -0.50 -2.95 -2.27 0.00 0.00 179.45 175.11 1upm h ASN 306 N 0.00 0.00 -3.42 4.20 -1.07 -1.94 -3.46 115.58 109.89 1upm h ASN 306 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.27 1upm h ASN 306 Cb 1.33 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 37.34 1upm h ASN 306 CO 0.09 0.05 -0.21 -2.28 0.07 0.00 0.00 177.43 175.16 1upm s HIS 307 N -3.25 -0.64 -0.36 4.14 5.04 -1.24 -3.27 115.29 115.71 1upm s HIS 307 Ca 0.03 1.41 0.00 0.00 -1.54 0.00 0.00 55.06 54.96 1upm s HIS 307 Cb 0.07 0.29 0.00 0.00 0.04 0.00 0.00 32.58 32.98 1upm s HIS 307 CO 0.73 -0.34 0.00 0.41 -2.34 0.00 0.00 174.74 173.20 1upm n GLY 308 N 3.79 0.21 2.84 1.59 0.00 -0.48 -4.48 105.19 108.67 1upm n GLY 308 Ca -0.20 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.62 0.23 0.60 1.61 -1.94 -1.04 -0.55 119.30 117.59 1upm s MET 309 Ca 0.00 0.04 -0.18 0.00 -1.71 0.00 0.00 55.69 53.84 1upm s MET 309 Cb 0.00 -0.36 -0.03 0.00 2.01 0.00 0.00 34.83 36.45 1upm s MET 309 CO 0.00 -0.08 1.15 -1.58 -0.01 0.00 0.00 175.02 174.50 1upm s HIS 310 N 0.69 2.54 0.52 -0.03 2.46 -0.33 -3.62 115.29 117.52 1upm s HIS 310 Ca -0.07 1.54 0.20 0.00 0.47 0.00 0.00 55.06 57.21 1upm s HIS 310 Cb -0.10 -3.33 1.32 0.00 -0.13 0.00 0.00 32.58 30.34 1upm s HIS 310 CO -0.01 -1.85 2.06 0.35 -2.47 0.00 0.00 174.74 172.82 1upm h PHE 311 N 0.74 0.03 -0.84 3.88 3.57 -1.92 -2.10 116.94 120.28 1upm h PHE 311 Ca -0.49 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.05 1upm h PHE 311 Cb 1.27 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 1upm h PHE 311 CO 0.50 0.01 0.55 0.07 -2.23 0.00 0.00 178.31 177.22 1upm h ARG 312 N 0.03 1.00 -0.58 1.11 0.11 -1.91 0.30 114.38 114.44 1upm h ARG 312 Ca 0.14 -0.06 -0.07 0.00 0.10 0.00 0.00 59.98 60.09 1upm h ARG 312 Cb 0.53 -0.23 -0.02 0.00 1.11 0.00 0.00 29.97 31.36 1upm h ARG 312 CO -0.01 0.66 0.09 0.28 0.10 0.00 0.00 179.97 181.09 1upm h VAL 313 N 1.03 1.26 -0.10 0.08 2.07 -1.62 -1.44 116.25 117.52 1upm h VAL 313 Ca 0.34 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 1upm h VAL 313 Cb 0.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1upm h VAL 313 CO -0.10 0.36 -0.31 -0.07 0.02 0.00 0.00 177.57 177.47 1upm h LEU 314 N 0.85 0.19 -0.23 2.57 3.38 -1.34 -1.69 115.31 119.05 1upm h LEU 314 Ca 0.17 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1upm h LEU 314 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1upm h LEU 314 CO 0.01 0.49 -0.45 0.00 0.09 0.00 0.00 178.44 178.59 1upm h ALA 315 N 1.52 0.37 -0.80 1.53 0.00 -0.35 -2.48 119.26 119.05 1upm h ALA 315 Ca 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1upm h ALA 315 Cb 0.63 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1upm h ALA 315 CO 0.05 0.50 0.35 0.87 0.00 0.00 0.00 179.25 181.02 1upm h LYS 316 N 0.43 1.17 -0.59 0.00 1.57 -0.97 -1.91 116.57 116.27 1upm h LYS 316 Ca 0.01 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1upm h LYS 316 Cb 1.05 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1upm h LYS 316 CO 0.10 0.93 0.02 0.00 -0.57 0.00 0.00 179.45 179.92 1upm h ALA 317 N 1.23 0.91 -0.58 3.86 0.00 -1.32 -2.38 119.26 120.98 1upm h ALA 317 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1upm h ALA 317 Cb 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1upm h ALA 317 CO -0.03 0.65 0.25 1.25 0.00 0.00 0.00 179.25 181.37 1upm h LEU 318 N 0.94 0.78 -1.37 0.00 7.12 -1.21 -1.22 115.31 120.34 1upm h LEU 318 Ca 0.17 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1upm h LEU 318 Cb 0.52 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.42 1upm h LEU 318 CO 0.03 0.72 0.40 -0.09 -0.13 0.00 0.00 178.44 179.36 1upm h ARG 319 N 0.79 0.82 0.29 1.25 2.43 -0.95 0.32 114.38 119.33 1upm h ARG 319 Ca 0.19 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1upm h ARG 319 Cb 0.17 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1upm h ARG 319 CO -0.02 0.55 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.78 1upm h LEU 320 N 0.85 -0.33 -0.11 3.80 3.38 -1.00 -3.31 115.31 118.58 1upm h LEU 320 Ca 0.23 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1upm h LEU 320 Cb -0.08 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1upm h LEU 320 CO -0.05 0.11 -0.02 -1.28 0.09 0.00 0.00 178.44 177.29 1upm h SER 321 N -0.87 -0.08 0.00 -0.43 0.87 -1.17 -1.66 113.55 110.20 1upm h SER 321 Ca -0.04 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1upm h SER 321 Cb 0.52 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1upm h SER 321 CO 0.07 -0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 1upm n GLY 322 N -1.15 4.17 3.60 5.77 0.00 0.11 -4.42 105.19 113.28 1upm n GLY 322 Ca -0.05 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.18 -0.02 -0.02 0.00 -1.25 -4.79 107.32 101.06 1upm s GLY 323 Ca 0.00 2.08 0.16 0.00 0.00 0.00 0.00 44.72 46.96 1upm s GLY 323 CO 0.00 0.87 0.64 1.22 0.00 0.00 0.00 173.10 175.83 1upm n ASP 324 N 0.38 0.70 -4.34 1.64 8.00 0.66 -4.45 116.55 119.12 1upm n ASP 324 Ca -0.04 0.32 -0.26 0.00 0.71 0.00 0.00 54.79 55.51 1upm n ASP 324 Cb 0.59 0.30 -0.13 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.78 2.06 -0.06 1.24 3.76 -1.06 -1.65 115.29 116.79 1upm s HIS 325 Ca -0.05 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 1upm s HIS 325 Cb 0.08 -1.11 0.02 0.00 1.11 0.00 0.00 32.58 32.68 1upm s HIS 325 CO 0.82 0.29 0.18 -1.50 -0.85 0.00 0.00 174.74 173.69 1upm s ILE 326 N -1.20 0.01 0.31 0.60 2.07 -0.62 -1.65 121.20 120.72 1upm s ILE 326 Ca 0.11 -0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 58.99 1upm s ILE 326 Cb -0.10 -0.29 -0.10 0.00 0.13 0.00 0.00 42.46 42.11 1upm s ILE 326 CO 0.05 -0.04 1.29 -1.00 -1.91 0.00 0.00 174.94 173.34 1upm s HIS 327 N -0.05 3.13 0.00 3.50 3.76 -1.17 -0.74 115.29 123.72 1upm s HIS 327 Ca -0.01 1.41 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 1upm s HIS 327 Cb -0.02 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 30.04 1upm s HIS 327 CO 0.00 -1.75 0.11 -1.13 -0.85 0.00 0.00 174.74 171.12 1upm n SER 328 N 1.11 0.21 0.00 1.40 3.41 -0.36 -4.79 113.62 114.60 1upm n SER 328 Ca 0.01 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1upm n SER 328 Cb 0.42 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 0.56 1.30 0.00 5.00 0.00 -1.25 -4.89 105.19 105.92 1upm n GLY 329 Ca 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 44.08 1upm n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upm n THR 330 N 1.85 0.01 0.00 2.61 -2.24 -1.26 -4.38 114.28 110.87 1upm n THR 330 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1upm n THR 330 Cb 0.00 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.74 0.00 1.18 2.28 0.31 -1.26 -4.46 118.33 114.65 1upm n VAL 331 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1upm n VAL 331 Cb 0.18 0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.38 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 -0.76 2.52 0.24 -1.26 -4.66 118.33 114.41 1upm n VAL 332 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1upm n VAL 332 Cb 0.00 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 1.36 1.85 0.12 7.63 0.00 -1.26 -4.22 105.19 110.67 1upm n GLY 333 Ca 0.12 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.41 1upm n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1upm h LYS 334 N 0.00 0.00 -6.28 1.61 2.10 -1.34 -3.44 116.57 109.22 1upm h LYS 334 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 1upm h LYS 334 Cb 0.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 1upm h LYS 334 CO 0.00 0.00 -0.63 -0.51 -2.00 0.00 0.00 179.45 176.31 1upm s LEU 335 N -5.05 3.40 0.42 7.07 1.43 -1.26 -5.06 118.68 119.63 1upm s LEU 335 Ca 0.06 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 1upm s LEU 335 Cb 0.10 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 1upm s LEU 335 CO 0.69 0.06 1.21 -0.70 0.23 0.00 0.00 176.35 177.85 1upm s GLU 336 N -3.19 3.95 0.00 1.70 2.12 -1.26 -4.67 118.70 117.34 1upm s GLU 336 Ca 0.29 1.94 0.00 0.00 0.36 0.00 0.00 54.97 57.56 1upm s GLU 336 Cb -0.09 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.66 1upm s GLU 336 CO 0.20 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 1upm n GLY 337 N 0.63 -0.01 3.76 -1.50 0.00 -1.26 -4.86 105.19 101.94 1upm n GLY 337 Ca 0.05 0.74 -0.40 0.00 0.00 0.00 0.00 46.02 46.41 1upm n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upm s GLU 338 N 0.00 4.63 0.16 1.61 0.41 -1.26 -4.00 118.70 120.25 1upm s GLU 338 Ca 0.00 1.81 -0.20 0.00 -0.41 0.00 0.00 54.97 56.17 1upm s GLU 338 Cb 0.00 -3.19 0.07 0.00 -1.78 0.00 0.00 34.13 29.23 1upm s GLU 338 CO 0.00 0.19 1.63 -0.09 -0.49 0.00 0.00 175.26 176.50 1upm h ARG 339 N 3.93 -0.17 -0.20 1.61 2.43 -1.98 -1.89 114.38 118.12 1upm h ARG 339 Ca -0.47 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.52 1upm h ARG 339 Cb 1.21 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1upm h ARG 339 CO 0.67 -0.11 -0.66 -0.44 -1.51 0.00 0.00 179.97 177.92 1upm h ASP 340 N -0.17 0.92 -1.01 -3.80 3.32 -1.93 -0.77 116.42 112.98 1upm h ASP 340 Ca 0.17 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.65 1upm h ASP 340 Cb 0.44 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1upm h ASP 340 CO -0.44 1.36 0.66 0.40 -1.72 0.00 0.00 179.24 179.50 1upm h ILE 341 N 0.54 1.22 -0.30 0.35 2.04 -1.74 -2.24 117.51 117.38 1upm h ILE 341 Ca -0.03 -0.45 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 1upm h ILE 341 Cb 1.29 -0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1upm h ILE 341 CO 0.14 0.24 -0.37 0.74 0.00 0.00 0.00 178.15 178.90 1upm h THR 342 N 1.32 1.29 -0.53 -0.27 2.02 -0.99 -2.47 112.91 113.29 1upm h THR 342 Ca 0.39 -1.55 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 1upm h THR 342 Cb -0.08 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1upm h THR 342 CO -0.10 0.50 0.11 -0.07 0.37 0.00 0.00 175.52 176.32 1upm h LEU 343 N 0.54 0.77 0.01 2.58 3.38 -1.07 0.06 115.31 121.57 1upm h LEU 343 Ca 0.04 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1upm h LEU 343 Cb 0.96 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1upm h LEU 343 CO 0.09 0.77 -0.23 1.23 0.09 0.00 0.00 178.44 180.39 1upm h GLY 344 N 0.97 -0.34 1.54 0.83 0.00 -1.26 -2.16 103.07 102.64 1upm h GLY 344 Ca 0.17 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1upm h GLY 344 CO 0.00 -0.20 -0.46 0.27 0.00 0.00 0.00 176.54 176.15 1upm h PHE 345 N -0.37 0.00 -0.42 5.60 -5.15 -1.07 -2.10 116.94 113.43 1upm h PHE 345 Ca 0.06 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.83 1upm h PHE 345 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.59 1upm h PHE 345 CO -0.27 0.00 0.26 0.28 -2.00 0.00 0.00 178.31 176.58 1upm h VAL 346 N 0.00 1.13 -0.59 0.88 2.07 -0.94 -1.89 116.25 116.92 1upm h VAL 346 Ca 0.00 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1upm h VAL 346 Cb 1.00 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1upm h VAL 346 CO 0.00 0.13 0.34 0.44 0.02 0.00 0.00 177.57 178.50 1upm h ASP 347 N 0.56 0.73 -0.17 0.57 3.32 -1.07 -1.22 116.42 119.14 1upm h ASP 347 Ca 0.15 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1upm h ASP 347 Cb -0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1upm h ASP 347 CO -0.03 0.59 0.17 -0.07 -1.72 0.00 0.00 179.24 178.18 1upm h LEU 348 N 0.80 0.00 0.03 1.55 3.38 -1.18 -1.86 115.31 118.03 1upm h LEU 348 Ca 0.21 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.88 1upm h LEU 348 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1upm h LEU 348 CO -0.04 0.00 -1.69 -0.07 0.09 0.00 0.00 178.44 176.74 1upm h LEU 349 N 0.00 0.10 0.00 1.67 3.38 -0.63 -3.41 115.31 116.42 1upm h LEU 349 Ca 0.08 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1upm h LEU 349 Cb 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1upm h LEU 349 CO -0.00 1.17 -2.06 0.54 0.09 0.00 0.00 178.44 178.18 1upm n ARG 350 N -3.17 0.67 -3.69 1.13 1.74 -0.53 -0.82 116.66 111.99 1upm n ARG 350 Ca -0.18 -0.12 -0.21 0.00 -0.77 0.00 0.00 57.85 56.57 1upm n ARG 350 Cb 1.04 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 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 -4.87 5.31 0.16 0.55 1.01 -0.72 -4.53 116.67 113.59 1upm s ASP 351 Ca -0.08 -0.52 0.25 0.00 0.71 0.00 0.00 52.55 52.91 1upm s ASP 351 Cb 0.11 -0.89 0.54 0.00 1.01 0.00 0.00 42.92 43.70 1upm s ASP 351 CO 0.88 -0.45 1.52 -0.67 0.21 0.00 0.00 175.17 176.66 1upm n ASP 352 N -1.46 0.75 -3.64 0.27 2.03 -1.26 -4.78 116.55 108.47 1upm n ASP 352 Ca 0.00 0.31 -0.07 0.00 0.52 0.00 0.00 54.79 55.55 1upm n ASP 352 Cb 0.60 -0.25 -0.07 0.00 -0.72 0.00 0.00 41.12 40.68 1upm n ASP 352 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1upm s TYR 353 N -3.14 -1.03 -0.07 -0.67 5.04 -1.26 -1.28 117.35 114.93 1upm s TYR 353 Ca 0.08 2.09 -0.03 0.00 -2.44 0.00 0.00 57.07 56.77 1upm s TYR 353 Cb 0.13 0.60 0.04 0.00 0.35 0.00 0.00 41.96 43.08 1upm s TYR 353 CO 0.67 -0.51 0.13 0.99 -1.34 0.00 0.00 175.55 175.49 1upm s THR 354 N 1.52 -0.22 0.37 4.34 2.01 -0.29 -5.01 115.64 118.36 1upm s THR 354 Ca -0.09 0.37 -0.24 0.00 0.31 0.00 0.00 61.69 62.04 1upm s THR 354 Cb -0.05 -0.26 -0.10 0.00 0.01 0.00 0.00 72.50 72.11 1upm s THR 354 CO -0.18 0.16 0.99 -0.70 -0.69 0.00 0.00 174.62 174.20 1upm s GLU 355 N 2.25 4.34 0.04 4.92 2.12 -1.26 -0.96 118.70 130.15 1upm s GLU 355 Ca 0.03 1.37 -0.33 0.00 0.36 0.00 0.00 54.97 56.41 1upm s GLU 355 Cb -0.12 -2.59 -0.17 0.00 0.26 0.00 0.00 34.13 31.52 1upm s GLU 355 CO -0.05 0.05 0.82 1.17 -0.54 0.00 0.00 175.26 176.71 1upm n LYS 356 N 0.09 0.00 -3.00 4.30 4.81 -1.26 -4.79 118.16 118.32 1upm n LYS 356 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.47 1upm n LYS 356 Cb 0.50 -1.21 -0.00 0.00 0.02 0.00 0.00 35.03 34.34 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 -0.22 -1.45 0.56 3.14 -1.08 -0.02 -4.97 116.67 112.64 1upm s ASP 357 Ca 0.74 -1.17 0.25 0.00 -0.52 0.00 0.00 52.55 51.85 1upm s ASP 357 Cb -1.04 1.88 1.55 0.00 -1.46 0.00 0.00 42.92 43.84 1upm s ASP 357 CO 0.50 -0.11 2.13 0.03 0.52 0.00 0.00 175.17 178.23 1upm h ARG 358 N 6.05 0.00 0.00 4.34 2.47 -1.91 -0.32 114.38 125.01 1upm h ARG 358 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1upm h ARG 358 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1upm h ARG 358 CO 0.05 0.00 0.00 0.66 0.56 0.00 0.00 179.97 181.24 1upm h SER 359 N 0.00 0.00 -0.37 7.04 4.64 -1.96 -1.06 113.55 121.84 1upm h SER 359 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1upm h SER 359 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1upm h SER 359 CO -0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1upm n ARG 360 N -3.04 3.03 -1.02 4.77 1.74 -0.21 -4.76 116.66 117.17 1upm n ARG 360 Ca 0.00 -2.46 -0.01 0.00 -0.77 0.00 0.00 57.85 54.61 1upm n ARG 360 Cb 0.26 -1.57 -0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.29 0.48 3.46 -0.13 0.00 -0.40 -4.35 105.19 104.54 1upm n GLY 361 Ca 0.17 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1upm n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1upm s ILE 362 N -1.98 4.60 -0.59 -0.61 1.01 -0.71 -4.92 121.20 118.00 1upm s ILE 362 Ca 0.00 -0.27 0.25 0.00 0.00 0.00 0.00 60.65 60.63 1upm s ILE 362 Cb 0.00 -4.47 0.26 0.00 0.01 0.00 0.00 42.46 38.25 1upm s ILE 362 CO 0.00 -1.07 1.62 1.88 0.00 0.00 0.00 174.94 177.37 1upm h TYR 363 N 9.23 0.00 -3.17 3.97 -1.99 -1.93 -0.01 116.97 123.06 1upm h TYR 363 Ca -0.27 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.29 1upm h TYR 363 Cb 1.08 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 39.56 1upm h TYR 363 CO 0.85 0.00 -0.44 -0.06 -0.00 0.00 0.00 178.16 178.52 1upm s PHE 364 N -3.16 -0.24 0.24 4.88 0.08 -1.26 -4.91 117.98 113.61 1upm s PHE 364 Ca 0.08 0.59 -0.30 0.00 0.12 0.00 0.00 56.93 57.42 1upm s PHE 364 Cb 0.10 0.08 -0.09 0.00 -0.57 0.00 0.00 43.02 42.54 1upm s PHE 364 CO 0.65 -0.14 1.28 0.99 -0.10 0.00 0.00 175.22 177.90 1upm s THR 365 N 0.00 3.12 -0.04 0.64 2.01 -1.26 -3.98 115.64 116.13 1upm s THR 365 Ca -0.01 0.99 0.01 0.00 0.31 0.00 0.00 61.69 62.99 1upm s THR 365 Cb -0.02 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1upm s THR 365 CO 0.01 0.18 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.50 1upm s GLN 366 N -0.72 0.71 0.05 4.92 2.00 -0.13 -4.87 119.66 121.62 1upm s GLN 366 Ca 0.53 -0.08 0.07 0.00 -2.00 0.00 0.00 55.36 53.88 1upm s GLN 366 Cb -0.37 -0.74 -0.03 0.00 0.80 0.00 0.00 33.01 32.67 1upm s GLN 366 CO 0.42 -0.08 -0.17 -1.12 -0.50 0.00 0.00 175.29 173.84 1upm s SER 367 N 0.86 3.87 0.00 6.67 0.01 -1.26 -1.14 113.70 122.71 1upm s SER 367 Ca -0.11 -0.42 0.07 0.00 1.31 0.00 0.00 55.95 56.80 1upm s SER 367 Cb -0.14 -0.64 0.10 0.00 0.21 0.00 0.00 66.02 65.55 1upm s SER 367 CO -0.00 0.25 0.85 0.79 0.41 0.00 0.00 173.24 175.54 1upm n TRP 368 N 1.47 0.08 -3.88 2.43 7.02 -0.41 -4.72 117.44 119.44 1upm n TRP 368 Ca -0.16 -0.14 -0.26 0.00 -1.02 0.00 0.00 57.50 55.91 1upm n TRP 368 Cb 0.52 -0.01 -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 0.33 -1.09 -0.93 -0.99 0.24 -1.26 -0.24 118.33 114.38 1upm n VAL 369 Ca 0.05 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1upm n VAL 369 Cb 0.23 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 1upm n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1upm n SER 370 N -1.79 -3.42 -4.60 -1.34 7.64 -1.26 -4.99 113.62 103.86 1upm n SER 370 Ca -0.19 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.11 1upm n SER 370 Cb 0.48 -1.88 -0.07 0.00 -1.01 0.00 0.00 64.21 61.72 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 -2.36 0.04 -1.54 0.44 -1.04 0.66 -4.87 114.28 105.62 1upm n THR 371 Ca 0.00 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1upm n THR 371 Cb 0.20 -0.53 0.05 0.00 -1.82 0.00 0.00 70.33 68.23 1upm n THR 371 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1upm n PRO 372 N 2.74 0.69 -3.11 -2.82 -0.02 -1.26 -4.92 135.00 126.30 1upm n PRO 372 Ca 0.22 0.28 -0.31 0.00 -2.02 0.00 0.00 63.50 61.66 1upm n PRO 372 Cb 0.11 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.27 2.12 -0.15 -1.23 0.00 -1.26 -4.65 107.32 100.87 1upm s GLY 373 Ca 0.73 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 45.16 1upm s GLY 373 CO 0.50 -0.01 0.21 0.14 0.00 0.00 0.00 173.10 173.94 1upm s VAL 374 N -2.11 5.36 -0.09 1.40 1.01 0.00 -2.02 120.40 123.96 1upm s VAL 374 Ca 0.51 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 1upm s VAL 374 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1upm s VAL 374 CO 0.25 0.49 1.21 -0.76 0.00 0.00 0.00 175.10 176.28 1upm s LEU 375 N -0.13 4.25 0.14 3.92 1.43 -0.66 -4.29 118.68 123.35 1upm s LEU 375 Ca 0.14 1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.70 1upm s LEU 375 Cb -0.12 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1upm s LEU 375 CO 0.03 -0.63 1.05 -2.16 0.23 0.00 0.00 176.35 174.87 1upm s PRO 376 N 2.58 4.62 -0.18 1.29 0.04 -1.26 -1.59 135.00 140.49 1upm s PRO 376 Ca 0.55 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 1upm s PRO 376 Cb -0.23 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 1upm s PRO 376 CO 0.19 0.10 -0.05 0.08 0.04 0.00 0.00 177.00 177.37 1upm s VAL 377 N -0.05 3.59 -0.27 -0.36 1.01 0.08 -0.94 120.40 123.45 1upm s VAL 377 Ca 0.49 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1upm s VAL 377 Cb -0.27 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1upm s VAL 377 CO 0.33 0.46 0.14 0.00 0.00 0.00 0.00 175.10 176.02 1upm s ALA 378 N 0.91 3.38 -0.02 5.51 0.00 0.98 -1.23 121.76 131.29 1upm s ALA 378 Ca -0.01 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 50.64 1upm s ALA 378 Cb -0.15 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.70 1upm s ALA 378 CO 0.01 -0.51 0.47 0.45 0.00 0.00 0.00 175.76 176.17 1upm s SER 379 N 1.68 -0.38 0.00 0.00 0.15 -1.26 -0.44 113.70 113.45 1upm s SER 379 Ca 0.07 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1upm s SER 379 Cb -0.16 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1upm s SER 379 CO 0.08 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1upm n GLY 380 N 1.04 1.16 1.20 9.45 0.00 -1.26 -4.58 105.19 112.19 1upm n GLY 380 Ca -0.20 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1upm n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upm n GLY 381 N 0.00 0.81 3.66 -0.02 0.00 -1.26 -1.16 105.19 107.22 1upm n GLY 381 Ca 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 1upm n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1upm s ILE 382 N -2.00 3.53 0.36 -0.61 -4.36 -1.26 -4.39 121.20 112.47 1upm s ILE 382 Ca 0.00 -1.86 -0.05 0.00 -0.26 0.00 0.00 60.65 58.48 1upm s ILE 382 Cb 0.00 -2.90 0.02 0.00 1.25 0.00 0.00 42.46 40.83 1upm s ILE 382 CO 0.00 -0.37 0.56 0.00 0.24 0.00 0.00 174.94 175.37 1upm n HIS 383 N -0.93 -1.66 -0.35 1.37 1.44 -1.26 -4.37 115.22 109.46 1upm n HIS 383 Ca -0.06 -2.22 0.24 0.00 -2.01 0.00 0.00 57.72 53.66 1upm n HIS 383 Cb 0.59 0.64 0.49 0.00 0.12 0.00 0.00 29.99 31.83 1upm n HIS 383 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1upm h VAL 384 N 2.00 0.43 0.00 0.61 -1.51 -1.92 -0.62 116.25 115.23 1upm h VAL 384 Ca -0.28 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 65.02 1upm h VAL 384 Cb 1.19 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1upm h VAL 384 CO 0.38 0.07 -0.15 -0.50 -1.23 0.00 0.00 177.57 176.14 1upm h TRP 385 N 0.39 0.00 0.00 5.19 4.06 -1.95 -1.63 115.95 122.01 1upm h TRP 385 Ca 0.67 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.62 1upm h TRP 385 Cb 1.62 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.78 1upm h TRP 385 CO -0.01 0.15 0.00 0.72 -3.56 0.00 0.00 178.44 175.75 1upm n HIS 386 N -3.24 0.00 0.03 0.49 8.25 -0.24 -4.39 115.22 116.11 1upm n HIS 386 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1upm n HIS 386 Cb 0.44 -0.33 -0.07 0.00 1.12 0.00 0.00 29.99 31.16 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 0.01 -0.27 -0.41 -1.53 -1.37 -1.66 114.93 109.71 1upm h MET 387 Ca 0.00 -0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.32 1upm h MET 387 Cb 0.23 -0.00 -0.07 0.00 -0.55 0.00 0.00 31.60 31.21 1upm h MET 387 CO 0.00 0.00 -0.18 -1.35 0.14 0.00 0.00 176.91 175.52 1upm h PRO 388 N 0.01 -0.16 -0.51 0.39 0.11 -1.81 0.84 132.00 130.87 1upm h PRO 388 Ca 0.01 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1upm h PRO 388 Cb 0.01 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1upm h PRO 388 CO -0.02 -0.10 0.31 0.00 -0.21 0.00 0.00 178.00 177.98 1upm h ALA 389 N 1.00 0.65 -0.23 -0.75 0.00 -1.75 -1.55 119.26 116.61 1upm h ALA 389 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1upm h ALA 389 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1upm h ALA 389 CO -0.37 0.13 0.14 -0.07 0.00 0.00 0.00 179.25 179.08 1upm h LEU 390 N 0.68 0.24 -1.00 0.00 3.38 -0.67 -0.42 115.31 117.53 1upm h LEU 390 Ca 0.18 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1upm h LEU 390 Cb -0.02 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1upm h LEU 390 CO -0.03 0.18 0.65 0.74 0.09 0.00 0.00 178.44 180.06 1upm h THR 391 N 0.30 1.13 -0.40 0.22 2.02 -0.71 -2.16 112.91 113.31 1upm h THR 391 Ca 0.09 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 1upm h THR 391 Cb -0.02 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.19 1upm h THR 391 CO -0.03 0.22 -0.31 -0.08 0.37 0.00 0.00 175.52 175.69 1upm h GLU 392 N 1.22 0.93 -0.14 6.66 4.22 -1.17 -0.64 114.58 125.66 1upm h GLU 392 Ca 0.41 -0.46 -0.07 0.00 0.08 0.00 0.00 59.36 59.33 1upm h GLU 392 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1upm h GLU 392 CO -0.15 1.11 -0.18 0.82 -2.18 0.00 0.00 179.01 178.43 1upm h ILE 393 N 0.75 1.35 0.00 2.32 2.04 -0.87 -3.38 117.51 119.72 1upm h ILE 393 Ca 0.08 -1.38 -0.29 0.00 1.00 0.00 0.00 64.86 64.27 1upm h ILE 393 Cb 0.90 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 1upm h ILE 393 CO 0.08 0.41 -2.23 0.49 0.00 0.00 0.00 178.15 176.90 1upm n PHE 394 N -4.52 0.00 -4.34 1.37 3.72 -0.83 -5.02 117.46 107.84 1upm n PHE 394 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1upm n PHE 394 Cb 0.39 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 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 1.75 -1.38 0.30 1.37 0.00 -0.25 -4.26 105.19 102.72 1upm n GLY 395 Ca -0.26 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 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 0.80 -1.51 1.61 3.32 -1.90 -3.35 116.42 115.40 1upm h ASP 396 Ca 0.00 -0.16 -0.74 0.00 0.02 0.00 0.00 57.03 56.15 1upm h ASP 396 Cb 0.00 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 39.19 1upm h ASP 396 CO 0.00 0.80 1.91 0.47 -1.72 0.00 0.00 179.24 180.70 1upm n ASP 397 N -4.26 5.04 -3.85 6.45 8.00 -1.26 -2.62 116.55 124.06 1upm n ASP 397 Ca 0.04 -3.05 -0.09 0.00 0.71 0.00 0.00 54.79 52.40 1upm n ASP 397 Cb 0.25 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.12 39.78 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 1.74 -0.18 -0.14 -2.24 1.04 -1.26 -4.28 113.70 108.38 1upm s SER 398 Ca 0.42 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1upm s SER 398 Cb 0.06 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1upm s SER 398 CO 0.00 -1.10 -0.15 -0.69 0.98 0.00 0.00 173.24 172.28 1upm s VAL 399 N -3.93 2.77 -0.21 5.02 1.01 -0.12 -1.02 120.40 123.92 1upm s VAL 399 Ca 0.14 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1upm s VAL 399 Cb -0.01 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1upm s VAL 399 CO 0.02 0.52 0.05 -0.76 0.00 0.00 0.00 175.10 174.93 1upm s LEU 400 N 0.58 3.53 -0.15 3.92 1.43 0.78 -0.02 118.68 128.74 1upm s LEU 400 Ca -0.09 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1upm s LEU 400 Cb -0.16 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1upm s LEU 400 CO 0.03 0.08 -0.16 -1.10 0.23 0.00 0.00 176.35 175.43 1upm s GLN 401 N 0.95 3.19 -0.45 1.70 -0.21 0.42 -1.31 119.66 123.96 1upm s GLN 401 Ca 0.03 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 54.69 1upm s GLN 401 Cb -0.14 -2.60 0.12 0.00 1.00 0.00 0.00 33.01 31.39 1upm s GLN 401 CO 0.02 0.02 0.18 -0.06 -2.12 0.00 0.00 175.29 173.33 1upm s PHE 402 N 0.81 3.26 0.00 0.91 0.08 -0.06 -4.27 117.98 118.70 1upm s PHE 402 Ca -0.06 -3.03 0.00 0.00 0.12 0.00 0.00 56.93 53.96 1upm s PHE 402 Cb -0.15 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 1upm s PHE 402 CO -0.00 -0.82 0.00 0.41 -0.10 0.00 0.00 175.22 174.71 1upm n GLY 403 N 3.58 1.63 0.33 4.36 0.00 -1.26 -2.87 105.19 110.96 1upm n GLY 403 Ca 0.05 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.31 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 1.83 1.85 -0.02 0.00 -1.93 0.82 103.07 105.62 1upm h GLY 404 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 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 -1.36 -0.80 0.58 4.60 0.00 -1.26 -0.29 105.19 106.66 1upm n GLY 405 Ca 0.32 -0.04 -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 -1.43 0.40 1.62 2.61 -1.04 0.11 -4.66 114.28 111.89 1upm n THR 406 Ca 0.04 -0.11 0.15 0.00 -2.04 0.00 0.00 64.05 62.08 1upm n THR 406 Cb 0.11 -1.38 0.75 0.00 -1.82 0.00 0.00 70.33 67.99 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 -3.16 0.32 -1.25 -4.42 4.32 -0.22 -2.83 117.00 109.75 1upm n LEU 407 Ca -0.14 0.01 0.12 0.00 -0.02 0.00 0.00 56.01 55.98 1upm n LEU 407 Cb 0.61 -0.13 0.27 0.00 -1.62 0.00 0.00 43.42 42.55 1upm n LEU 407 CO 0.02 0.06 0.74 0.61 -1.22 0.00 0.00 177.39 177.60 1upm n GLY 408 N 1.18 2.15 3.74 -0.72 0.00 0.60 -4.94 105.19 107.21 1upm n GLY 408 Ca 0.18 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.22 3.53 0.54 1.61 5.04 -1.13 -4.94 115.29 118.73 1upm s HIS 409 Ca 0.44 1.57 0.26 0.00 -1.54 0.00 0.00 55.06 55.78 1upm s HIS 409 Cb 0.24 -3.33 1.44 0.00 0.04 0.00 0.00 32.58 30.97 1upm s HIS 409 CO 0.32 -0.79 2.01 -1.00 -2.34 0.00 0.00 174.74 172.94 1upm h PRO 410 N 4.83 0.00 -0.48 2.88 0.13 -1.92 -1.46 132.00 135.98 1upm h PRO 410 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.72 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.40 1upm n TRP 411 N -4.23 0.62 0.00 1.56 8.01 -1.26 -5.09 117.44 117.05 1upm n TRP 411 Ca 0.08 -0.31 0.00 0.00 -1.31 0.00 0.00 57.50 55.96 1upm n TRP 411 Cb 0.55 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.85 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 1.54 -4.03 0.18 6.99 0.00 -0.55 -4.68 105.19 104.64 1upm n GLY 412 Ca 0.21 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 1upm n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1upm h ASN 413 N 0.00 0.55 0.16 1.61 4.21 -1.86 -1.26 115.58 118.98 1upm h ASN 413 Ca 0.00 -0.33 -0.01 0.00 1.21 0.00 0.00 56.30 57.18 1upm h ASN 413 Cb 0.00 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 1upm h ASN 413 CO 0.00 0.74 -0.08 0.00 -1.29 0.00 0.00 177.43 176.81 1upm h ALA 414 N 0.82 -0.21 -0.26 -0.83 0.00 -1.84 0.80 119.26 117.74 1upm h ALA 414 Ca 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1upm h ALA 414 Cb 0.48 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1upm h ALA 414 CO 0.02 -0.61 -0.14 -1.35 0.00 0.00 0.00 179.25 177.17 1upm h PRO 415 N -0.23 0.44 -0.62 0.00 0.11 -1.83 0.41 132.00 130.28 1upm h PRO 415 Ca -0.02 -0.13 0.01 0.00 0.11 0.00 0.00 66.00 65.97 1upm h PRO 415 Cb 0.18 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 1upm h PRO 415 CO 0.04 0.58 0.41 0.78 -0.21 0.00 0.00 178.00 179.59 1upm h GLY 416 N 0.91 0.88 0.93 -0.55 0.00 -0.79 -1.69 103.07 102.76 1upm h GLY 416 Ca 0.08 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1upm h GLY 416 CO 0.03 0.30 -0.01 0.00 0.00 0.00 0.00 176.54 176.86 1upm h ALA 417 N 1.24 0.50 -0.33 3.60 0.00 0.07 -2.66 119.26 121.67 1upm h ALA 417 Ca 0.23 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1upm h ALA 417 Cb -0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 1upm h ALA 417 CO -0.06 0.28 -0.03 0.28 0.00 0.00 0.00 179.25 179.72 1upm h VAL 418 N 0.47 0.73 -0.09 0.00 2.07 -0.52 -0.71 116.25 118.19 1upm h VAL 418 Ca 0.10 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1upm h VAL 418 Cb 0.49 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1upm h VAL 418 CO 0.02 0.01 -0.31 0.00 0.02 0.00 0.00 177.57 177.32 1upm h ALA 419 N 1.30 -0.38 -0.94 1.67 0.00 -1.23 0.29 119.26 119.97 1upm h ALA 419 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1upm h ALA 419 Cb 0.23 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1upm h ALA 419 CO -0.29 -0.79 0.57 -0.91 0.00 0.00 0.00 179.25 177.83 1upm h ASN 420 N -0.41 1.13 -0.29 0.00 -0.26 -1.15 0.47 115.58 115.07 1upm h ASN 420 Ca 0.08 -0.06 -0.13 0.00 -0.56 0.00 0.00 56.30 55.64 1upm h ASN 420 Cb 0.54 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1upm h ASN 420 CO -0.32 0.86 -0.31 -0.09 -1.06 0.00 0.00 177.43 176.51 1upm h ARG 421 N 1.30 0.73 -0.56 0.81 9.65 -0.40 -2.00 114.38 123.91 1upm h ARG 421 Ca 0.34 -0.39 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1upm h ARG 421 Cb -0.07 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 1upm h ARG 421 CO -0.06 1.01 0.26 0.28 2.80 0.00 0.00 179.97 184.26 1upm h VAL 422 N 0.48 1.21 -0.70 0.20 2.07 -0.37 -1.97 116.25 117.18 1upm h VAL 422 Ca 0.04 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1upm h VAL 422 Cb 0.88 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1upm h VAL 422 CO 0.08 0.24 0.44 0.00 0.02 0.00 0.00 177.57 178.34 1upm h ALA 423 N 1.10 0.91 -0.08 1.67 0.00 -0.83 -0.64 119.26 121.38 1upm h ALA 423 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1upm h ALA 423 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1upm h ALA 423 CO -0.02 0.22 -0.06 1.25 0.00 0.00 0.00 179.25 180.64 1upm h LEU 424 N 0.86 0.19 -1.02 0.00 5.85 -1.20 -1.71 115.31 118.28 1upm h LEU 424 Ca 0.28 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1upm h LEU 424 Cb 0.01 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1upm h LEU 424 CO -0.10 0.60 0.66 -0.33 -0.34 0.00 0.00 178.44 178.93 1upm h GLU 425 N -0.21 1.28 -0.82 1.25 5.08 -1.30 0.23 114.58 120.09 1upm h GLU 425 Ca 0.02 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1upm h GLU 425 Cb 0.53 -0.29 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1upm h GLU 425 CO 0.02 0.85 0.51 0.00 -1.00 0.00 0.00 179.01 179.38 1upm h ALA 426 N 1.39 1.11 -0.48 3.43 0.00 -0.93 0.98 119.26 124.76 1upm h ALA 426 Ca 0.38 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1upm h ALA 426 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1upm h ALA 426 CO -0.10 0.28 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 1upm h VAL 428 N 0.78 1.21 -0.34 0.00 2.07 -0.45 -0.23 116.25 119.28 1upm h VAL 428 Ca 0.12 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1upm h VAL 428 Cb 0.69 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1upm h VAL 428 CO 0.05 0.20 0.15 -0.61 0.02 0.00 0.00 177.57 177.39 1upm h GLN 429 N 0.09 0.31 -0.57 1.57 4.15 -0.79 -0.90 115.11 118.97 1upm h GLN 429 Ca 0.05 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1upm h GLN 429 Cb 0.27 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1upm h GLN 429 CO 0.00 0.21 0.26 0.00 -1.93 0.00 0.00 178.83 177.37 1upm h ALA 430 N 1.19 0.73 -0.48 3.38 0.00 -1.19 -0.24 119.26 122.66 1upm h ALA 430 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1upm h ALA 430 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1upm h ALA 430 CO -0.12 0.31 0.31 -0.09 0.00 0.00 0.00 179.25 179.66 1upm h ARG 431 N 0.77 0.61 0.00 0.00 2.43 -0.68 -1.15 114.38 116.36 1upm h ARG 431 Ca 0.19 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1upm h ARG 431 Cb 0.14 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1upm h ARG 431 CO -0.02 0.40 -0.39 -0.91 -1.51 0.00 0.00 179.97 177.54 1upm h ASN 432 N 0.63 0.00 0.00 -3.80 -0.26 -0.71 -1.28 115.58 110.15 1upm h ASN 432 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1upm h ASN 432 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1upm h ASN 432 CO -0.05 0.39 0.00 -0.62 -1.06 0.00 0.00 177.43 176.09 1upm n GLU 433 N -3.92 0.97 0.00 0.81 1.02 -0.14 -4.92 120.64 114.46 1upm n GLU 433 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1upm n GLU 433 Cb 0.44 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.93 0.29 3.78 0.62 0.00 -0.48 -5.07 105.19 105.25 1upm n GLY 434 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.91 2.82 -0.30 1.61 0.52 -0.47 -4.99 118.95 117.22 1upm s ARG 435 Ca 0.00 1.34 -0.14 0.00 -0.52 0.00 0.00 55.73 56.41 1upm s ARG 435 Cb 0.00 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 1upm s ARG 435 CO 0.00 -1.23 0.31 0.34 0.02 0.00 0.00 175.30 174.75 1upm s ASP 436 N -2.70 6.15 0.16 0.23 -1.08 -1.26 -4.38 116.67 113.79 1upm s ASP 436 Ca 0.66 -0.04 0.01 0.00 -0.52 0.00 0.00 52.55 52.66 1upm s ASP 436 Cb -0.20 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1upm s ASP 436 CO 0.42 -0.21 1.38 -0.07 0.52 0.00 0.00 175.17 177.22 1upm h LEU 437 N 8.59 0.33 -0.68 -1.34 3.38 -1.93 0.27 115.31 123.93 1upm h LEU 437 Ca -0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 1upm h LEU 437 Cb 1.16 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1upm h LEU 437 CO 0.64 1.04 0.34 0.00 0.09 0.00 0.00 178.44 180.54 1upm h ALA 438 N 0.94 0.87 0.03 1.53 0.00 -1.93 -2.47 119.26 118.24 1upm h ALA 438 Ca -0.05 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.40 1upm h ALA 438 Cb 1.46 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1upm h ALA 438 CO 0.14 0.43 -1.93 0.54 0.00 0.00 0.00 179.25 178.42 1upm n ARG 439 N -4.47 0.68 -0.25 0.00 1.74 -1.09 -4.40 116.66 108.87 1upm n ARG 439 Ca 0.05 0.24 0.09 0.00 -0.77 0.00 0.00 57.85 57.46 1upm n ARG 439 Cb 0.12 -1.72 0.22 0.00 -1.02 0.00 0.00 32.46 30.07 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 -3.14 2.69 -0.11 5.56 1.02 0.93 -4.73 120.64 122.86 1upm n GLU 440 Ca -0.25 -2.29 -0.10 0.00 -0.02 0.00 0.00 57.16 54.50 1upm n GLU 440 Cb 1.06 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 31.02 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 3.15 -0.58 1.71 0.62 0.00 -1.59 0.36 103.07 106.74 1upm h GLY 441 Ca 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.83 1upm h GLY 441 CO 0.00 -0.19 -0.03 3.43 0.00 0.00 0.00 176.54 179.76 1upm h ASN 442 N -0.35 0.34 0.40 0.19 -0.26 -1.87 -1.61 115.58 112.43 1upm h ASN 442 Ca 0.13 -0.06 -0.15 0.00 -0.56 0.00 0.00 56.30 55.67 1upm h ASN 442 Cb 0.59 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 1upm h ASN 442 CO -0.55 0.43 -0.62 0.74 -1.06 0.00 0.00 177.43 176.36 1upm h THR 443 N 0.36 1.40 -0.01 2.81 2.02 -1.69 0.13 112.91 117.94 1upm h THR 443 Ca 0.08 -2.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.23 1upm h THR 443 Cb 0.29 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1upm h THR 443 CO 0.01 0.60 -0.00 0.40 0.37 0.00 0.00 175.52 176.90 1upm h ILE 444 N 0.16 1.25 -0.40 3.11 2.04 -0.06 -0.89 117.51 122.72 1upm h ILE 444 Ca -0.01 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1upm h ILE 444 Cb 1.13 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1upm h ILE 444 CO 0.09 0.19 0.26 0.40 0.00 0.00 0.00 178.15 179.10 1upm h ILE 445 N -0.30 1.08 -0.61 -0.67 1.08 -1.29 -2.51 117.51 114.29 1upm h ILE 445 Ca 0.00 -0.18 0.03 0.00 -0.39 0.00 0.00 64.86 64.33 1upm h ILE 445 Cb 0.32 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1upm h ILE 445 CO 0.00 0.10 0.37 -0.09 -0.69 0.00 0.00 178.15 177.83 1upm h ARG 446 N 0.52 0.70 -1.00 2.37 9.65 -0.93 -1.20 114.38 124.49 1upm h ARG 446 Ca 0.15 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 1upm h ARG 446 Cb -0.04 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 28.32 1upm h ARG 446 CO -0.05 0.46 0.65 0.93 2.80 0.00 0.00 179.97 184.77 1upm h GLU 447 N 0.72 1.19 0.00 0.20 5.08 -0.81 -2.52 114.58 118.43 1upm h GLU 447 Ca 0.25 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1upm h GLU 447 Cb 0.05 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1upm h GLU 447 CO -0.12 0.79 -0.55 0.00 -1.00 0.00 0.00 179.01 178.13 1upm h ALA 448 N 1.44 1.02 0.00 3.43 0.00 -0.82 -2.63 119.26 121.69 1upm h ALA 448 Ca 0.41 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1upm h ALA 448 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1upm h ALA 448 CO -0.15 0.69 -0.00 1.79 0.00 0.00 0.00 179.25 181.58 1upm h THR 449 N 0.00 0.02 0.00 0.00 1.35 -0.93 -1.31 112.91 112.03 1upm h THR 449 Ca -0.01 -0.12 -0.07 0.00 -0.55 0.00 0.00 66.41 65.66 1upm h THR 449 Cb 1.02 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1upm h THR 449 CO 0.07 0.00 -0.34 0.11 -0.25 0.00 0.00 175.52 175.11 1upm h LYS 450 N 0.00 0.00 -0.00 4.72 1.79 -1.51 -3.27 116.57 118.30 1upm h LYS 450 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1upm h LYS 450 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1upm h LYS 450 CO 0.00 0.34 -0.16 -2.67 -1.08 0.00 0.00 179.45 175.89 1upm n TRP 451 N -3.54 0.00 -3.93 -1.35 4.27 -0.80 -4.90 117.44 107.20 1upm n TRP 451 Ca -0.00 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.28 1upm n TRP 451 Cb 0.48 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.30 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 -1.18 4.79 0.32 -0.67 0.15 -0.56 -4.97 113.70 111.57 1upm s SER 452 Ca 0.03 -2.44 0.06 0.00 0.70 0.00 0.00 55.95 54.30 1upm s SER 452 Cb 0.03 -1.69 0.73 0.00 -1.71 0.00 0.00 66.02 63.38 1upm s SER 452 CO 0.15 -0.37 1.82 -0.65 1.20 0.00 0.00 173.24 175.40 1upm h PRO 453 N 7.33 0.77 -0.38 5.44 0.11 -1.88 -1.35 132.00 142.04 1upm h PRO 453 Ca -0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1upm h PRO 453 Cb 0.98 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1upm h PRO 453 CO 0.62 0.51 0.21 0.93 -0.21 0.00 0.00 178.00 180.05 1upm h GLU 454 N 0.79 0.54 -0.52 1.05 3.07 -1.93 -1.78 114.58 115.80 1upm h GLU 454 Ca 0.51 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.19 1upm h GLU 454 Cb 0.76 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 1upm h GLU 454 CO -0.28 0.44 -0.16 1.25 -1.40 0.00 0.00 179.01 178.86 1upm h LEU 455 N 0.49 1.04 -0.73 1.33 5.85 -1.60 -2.65 115.31 119.04 1upm h LEU 455 Ca 0.14 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.59 1upm h LEU 455 Cb 0.06 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 1upm h LEU 455 CO -0.02 1.18 0.35 0.00 -0.34 0.00 0.00 178.44 179.61 1upm h ALA 456 N 0.90 1.01 -0.47 1.25 0.00 -1.13 0.16 119.26 120.97 1upm h ALA 456 Ca 0.13 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1upm h ALA 456 Cb 0.74 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1upm h ALA 456 CO 0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 179.25 179.13 1upm h ALA 457 N 1.46 0.93 -0.49 0.00 0.00 -1.15 -2.00 119.26 118.00 1upm h ALA 457 Ca 0.37 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1upm h ALA 457 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1upm h ALA 457 CO -0.30 0.62 0.16 0.00 0.00 0.00 0.00 179.25 179.74 1upm h ALA 458 N 1.11 0.64 -0.43 0.00 0.00 -1.06 -2.94 119.26 116.58 1upm h ALA 458 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1upm h ALA 458 Cb 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1upm h ALA 458 CO 0.04 0.28 0.28 0.00 0.00 0.00 0.00 179.25 179.85 1upm h GLU 460 N 0.56 0.28 -0.57 0.00 5.08 -1.38 -1.44 114.58 117.11 1upm h GLU 460 Ca 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1upm h GLU 460 Cb -0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1upm h GLU 460 CO -0.05 0.18 0.29 0.28 -1.00 0.00 0.00 179.01 178.71 1upm h VAL 461 N 0.28 1.20 -0.24 3.13 2.07 -1.32 -3.29 116.25 118.09 1upm h VAL 461 Ca 0.20 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1upm h VAL 461 Cb 0.21 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1upm h VAL 461 CO -0.22 0.22 0.00 0.79 0.02 0.00 0.00 177.57 178.38 1upm n TRP 462 N -4.56 0.55 -0.24 1.57 8.01 -1.04 -4.72 117.44 117.01 1upm n TRP 462 Ca 0.03 -0.69 0.30 0.00 -1.31 0.00 0.00 57.50 55.84 1upm n TRP 462 Cb 0.11 -0.15 0.71 0.00 -2.01 0.00 0.00 31.31 29.97 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 1.51 0.04 -0.02 -0.99 2.10 -1.33 -1.76 116.57 116.12 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 1.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1upm h LYS 463 CO 0.08 0.02 -0.04 0.39 -2.00 0.00 0.00 179.45 177.91 1upm n GLU 464 N -4.27 1.94 -3.29 0.07 -0.58 -1.26 -4.97 120.64 108.29 1upm n GLU 464 Ca 0.21 -1.44 -0.39 0.00 -0.42 0.00 0.00 57.16 55.12 1upm n GLU 464 Cb 1.04 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 30.37 1upm n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1upm s ILE 465 N -2.05 5.13 0.02 -3.67 -1.09 -0.67 -5.04 121.20 113.84 1upm s ILE 465 Ca 0.31 0.86 -0.05 0.00 -2.23 0.00 0.00 60.65 59.54 1upm s ILE 465 Cb 0.20 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1upm s ILE 465 CO 0.34 0.18 0.09 -0.54 -1.23 0.00 0.00 174.94 173.78 1upm s LYS 466 N 1.66 0.49 -0.33 2.79 1.02 -1.26 -5.04 119.74 119.07 1upm s LYS 466 Ca 0.22 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.65 1upm s LYS 466 Cb -0.15 0.19 0.10 0.00 -0.52 0.00 0.00 37.83 37.45 1upm s LYS 466 CO 0.09 -0.11 0.06 -0.06 -0.92 0.00 0.00 175.35 174.40 1upm s PHE 467 N -1.90 3.14 -0.22 3.18 0.40 -1.26 -5.08 117.98 116.24 1upm s PHE 467 Ca -0.11 -2.59 -0.02 0.00 -0.60 0.00 0.00 56.93 53.61 1upm s PHE 467 Cb -0.05 -2.52 0.06 0.00 0.51 0.00 0.00 43.02 41.02 1upm s PHE 467 CO -0.01 -0.92 0.01 -1.21 0.70 0.00 0.00 175.22 173.79 1upm s GLU 468 N 1.12 0.95 0.05 0.44 2.02 -1.26 -4.79 118.70 117.23 1upm s GLU 468 Ca 0.10 -0.64 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 1upm s GLU 468 Cb -0.19 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 1upm s GLU 468 CO -0.13 -0.66 0.05 -0.06 0.02 0.00 0.00 175.26 174.48 1upm s PHE 469 N 1.70 0.35 0.22 1.61 0.40 -1.26 -5.14 117.98 115.86 1upm s PHE 469 Ca -0.02 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.21 1upm s PHE 469 Cb -0.18 -0.25 -0.10 0.00 0.51 0.00 0.00 43.02 43.01 1upm s PHE 469 CO -0.09 -0.40 1.46 -2.14 0.70 0.00 0.00 175.22 174.75 1upm s PRO 470 N -3.44 4.27 0.38 0.24 0.02 -1.26 -5.00 135.00 130.20 1upm s PRO 470 Ca 0.02 2.28 -0.23 0.00 0.02 0.00 0.00 61.00 63.09 1upm s PRO 470 Cb 0.04 -3.13 -0.10 0.00 0.02 0.00 0.00 34.50 31.32 1upm s PRO 470 CO -0.08 -0.45 0.95 0.00 -0.33 0.00 0.00 177.00 177.08 1upm s ALA 471 N 0.33 3.12 -0.15 -1.55 0.00 -1.26 -4.98 121.76 117.26 1upm s ALA 471 Ca 0.62 0.46 0.20 0.00 0.00 0.00 0.00 51.96 53.24 1upm s ALA 471 Cb -0.42 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.40 1upm s ALA 471 CO 0.39 0.15 0.78 -1.33 0.00 0.00 0.00 175.76 175.75 1upm n MET 472 N -0.08 0.63 -3.82 0.00 2.81 -1.26 -4.77 117.12 110.63 1upm n MET 472 Ca 0.05 0.07 -0.34 0.00 -1.81 0.00 0.00 57.70 55.67 1upm n MET 472 Cb 0.52 -1.73 -0.12 0.00 -0.71 0.00 0.00 33.22 31.18 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 -5.32 4.99 0.23 7.83 2.15 -1.26 -4.37 116.67 120.92 1upm s ASP 473 Ca -0.04 -2.60 0.11 0.00 0.43 0.00 0.00 52.55 50.46 1upm s ASP 473 Cb 0.10 -1.78 -0.05 0.00 -0.30 0.00 0.00 42.92 40.90 1upm s ASP 473 CO 0.83 -0.39 -0.21 0.42 -0.17 0.00 0.00 175.17 175.65 1upm s THR 474 N 0.31 2.48 -1.44 1.71 -4.23 -1.26 -4.66 115.64 108.53 1upm s THR 474 Ca 0.14 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1upm s THR 474 Cb -0.22 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1upm s THR 474 CO -0.03 -0.24 0.36 0.52 -0.54 0.00 0.00 174.62 174.69