#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sov s THR 16 N 0.00 4.02 -0.12 2.61 2.01 -1.26 -4.89 115.64 118.01 1sov s THR 16 Ca 0.00 1.17 -0.14 0.00 0.31 0.00 0.00 61.69 63.03 1sov s THR 16 Cb 0.00 -3.95 -0.26 0.00 0.01 0.00 0.00 72.50 68.30 1sov s THR 16 CO 0.00 -0.32 0.47 0.58 -0.69 0.00 0.00 174.62 174.66 1sov h VAL 17 N 5.88 0.91 -3.33 3.82 2.07 -2.12 -3.43 116.25 120.04 1sov h VAL 17 Ca -0.29 -2.36 -0.72 0.00 0.82 0.00 0.00 66.70 64.15 1sov h VAL 17 Cb 1.12 2.60 -0.30 0.00 -1.52 0.00 0.00 31.29 33.18 1sov h VAL 17 CO 1.00 0.71 -0.41 -0.55 0.02 0.00 0.00 177.57 178.34 1sov s SER 18 N -7.02 5.63 0.28 0.57 0.15 -1.26 -5.08 113.70 106.97 1sov s SER 18 Ca -0.22 -1.94 -0.08 0.00 0.70 0.00 0.00 55.95 54.41 1sov s SER 18 Cb 0.05 -1.98 -0.06 0.00 -1.71 0.00 0.00 66.02 62.32 1sov s SER 18 CO 0.75 -0.67 0.59 0.00 1.20 0.00 0.00 173.24 175.11 1sov s ARG 19 N 1.31 3.75 0.69 5.44 1.70 -1.26 -5.07 118.95 125.50 1sov s ARG 19 Ca 0.06 0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 55.43 1sov s ARG 19 Cb -0.26 -2.60 0.01 0.00 -0.57 0.00 0.00 34.95 31.53 1sov s ARG 19 CO -0.01 0.22 1.06 1.03 -1.08 0.00 0.00 175.30 176.52 1sov s ARG 20 N -3.23 2.93 0.78 3.89 0.52 -1.26 -5.02 118.95 117.55 1sov s ARG 20 Ca 0.47 1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 56.60 1sov s ARG 20 Cb -0.11 -1.99 0.06 0.00 0.52 0.00 0.00 34.95 33.43 1sov s ARG 20 CO 0.26 -1.11 1.08 0.15 0.02 0.00 0.00 175.30 175.70 1sov s LYS 21 N -4.85 2.25 -0.03 3.54 -0.14 -1.26 -4.83 119.74 114.41 1sov s LYS 21 Ca 0.59 0.96 0.01 0.00 -1.36 0.00 0.00 55.97 56.18 1sov s LYS 21 Cb -0.15 -1.91 0.02 0.00 -1.68 0.00 0.00 37.83 34.11 1sov s LYS 21 CO 0.52 -1.59 -0.04 0.21 -0.76 0.00 0.00 175.35 173.69 1sov s LYS 22 N -4.99 0.64 -0.10 1.68 2.20 -1.26 -0.45 119.74 117.47 1sov s LYS 22 Ca 0.61 -0.08 0.02 0.00 -0.36 0.00 0.00 55.97 56.16 1sov s LYS 22 Cb -0.16 -0.68 0.01 0.00 -1.51 0.00 0.00 37.83 35.49 1sov s LYS 22 CO 0.56 -0.06 -0.17 0.42 -0.36 0.00 0.00 175.35 175.74 1sov s ILE 23 N 0.75 1.58 -0.24 5.43 1.01 -0.27 -0.55 121.20 128.91 1sov s ILE 23 Ca -0.09 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1sov s ILE 23 Cb -0.12 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1sov s ILE 23 CO -0.00 0.46 0.14 0.00 0.00 0.00 0.00 174.94 175.53 1sov s ALA 24 N 0.73 3.54 -0.47 9.38 0.00 -0.15 -1.94 121.76 132.84 1sov s ALA 24 Ca -0.12 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 1sov s ALA 24 Cb -0.16 -2.27 0.05 0.00 0.00 0.00 0.00 23.12 20.75 1sov s ALA 24 CO 0.02 -0.20 0.50 -1.64 0.00 0.00 0.00 175.76 174.45 1sov s MET 25 N 1.08 3.07 -0.75 0.00 1.00 0.70 -0.87 119.30 123.52 1sov s MET 25 Ca 0.07 -0.99 -0.21 0.00 0.00 0.00 0.00 55.69 54.56 1sov s MET 25 Cb -0.14 -4.07 0.10 0.00 0.00 0.00 0.00 34.83 30.72 1sov s MET 25 CO 0.04 -1.06 0.99 0.42 0.00 0.00 0.00 175.02 175.42 1sov s ILE 26 N 2.19 4.52 0.00 2.53 -1.09 -0.08 -0.71 121.20 128.56 1sov s ILE 26 Ca 0.11 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 1sov s ILE 26 Cb -0.20 -4.70 0.00 0.00 -1.58 0.00 0.00 42.46 35.98 1sov s ILE 26 CO 0.11 -1.44 0.00 0.61 -1.23 0.00 0.00 174.94 172.99 1sov n GLY 27 N 5.39 3.19 1.53 6.18 0.00 0.59 -0.73 105.19 121.34 1sov n GLY 27 Ca 0.05 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1sov n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sov n SER 28 N 0.00 3.78 -3.18 1.61 7.64 -1.17 -4.16 113.62 118.13 1sov n SER 28 Ca 0.00 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1sov n SER 28 Cb 0.00 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1sov n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sov n GLY 29 N -0.98 -0.85 0.21 0.23 0.00 -1.26 -4.28 105.19 98.26 1sov n GLY 29 Ca 0.39 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 1sov n GLY 29 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1sov h MET 30 N 0.00 0.64 -0.00 1.61 2.86 -1.98 -0.17 114.93 117.89 1sov h MET 30 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1sov h MET 30 Cb 0.00 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 1sov h MET 30 CO 0.00 0.43 0.00 0.82 1.06 0.00 0.00 176.91 179.22 1sov h ILE 31 N 0.66 1.22 -0.32 -1.22 2.04 -1.90 -2.00 117.51 116.00 1sov h ILE 31 Ca 0.20 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.48 1sov h ILE 31 Cb -0.04 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1sov h ILE 31 CO -0.06 0.16 -0.02 1.23 0.00 0.00 0.00 178.15 179.46 1sov h GLY 32 N -0.27 0.29 1.62 5.37 0.00 -1.67 0.11 103.07 108.53 1sov h GLY 32 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1sov h GLY 32 CO 0.00 -0.08 0.04 -1.33 0.00 0.00 0.00 176.54 175.17 1sov h GLY 33 N 0.06 0.52 1.41 4.60 0.00 -1.04 -1.52 103.07 107.11 1sov h GLY 33 Ca 0.15 -0.28 -0.20 0.00 0.00 0.00 0.00 47.33 47.00 1sov h GLY 33 CO -0.28 0.26 -0.77 -0.84 0.00 0.00 0.00 176.54 174.92 1sov h THR 35 N 0.47 1.34 -0.30 4.70 2.02 -0.70 -1.49 112.91 118.95 1sov h THR 35 Ca 0.11 -2.09 -0.09 0.00 0.77 0.00 0.00 66.41 65.11 1sov h THR 35 Cb 0.25 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1sov h THR 35 CO 0.00 0.64 -0.19 0.24 0.37 0.00 0.00 175.52 176.59 1sov h MET 36 N 0.38 0.54 -0.75 6.66 2.86 -0.45 -1.09 114.93 123.09 1sov h MET 36 Ca -0.04 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1sov h MET 36 Cb 1.37 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 1sov h MET 36 CO 0.14 0.70 0.36 0.78 1.06 0.00 0.00 176.91 179.96 1sov h GLY 37 N 0.98 1.16 1.00 8.32 0.00 -1.06 -1.73 103.07 111.75 1sov h GLY 37 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1sov h GLY 37 CO 0.04 0.54 0.37 -1.82 0.00 0.00 0.00 176.54 175.68 1sov h TYR 38 N 1.05 0.73 -0.85 5.60 3.20 -0.53 -2.07 116.97 124.09 1sov h TYR 38 Ca 0.26 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1sov h TYR 38 Cb 0.12 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1sov h TYR 38 CO 0.01 0.47 0.52 -0.07 -1.64 0.00 0.00 178.16 177.44 1sov h LEU 39 N 0.78 1.02 -0.96 2.82 3.38 -0.88 -0.07 115.31 121.39 1sov h LEU 39 Ca 0.21 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1sov h LEU 39 Cb -0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1sov h LEU 39 CO -0.04 0.78 0.43 0.00 0.09 0.00 0.00 178.44 179.70 1sov h VAL 41 N 1.16 1.18 -0.88 0.00 2.07 -0.72 0.29 116.25 119.35 1sov h VAL 41 Ca 0.29 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1sov h VAL 41 Cb 0.07 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1sov h VAL 41 CO -0.04 0.14 0.56 -0.07 0.02 0.00 0.00 177.57 178.18 1sov h LEU 42 N -0.18 1.03 -0.60 2.57 3.38 -0.78 -2.66 115.31 118.07 1sov h LEU 42 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sov h LEU 42 Cb 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1sov h LEU 42 CO -0.00 0.77 -0.32 0.54 0.09 0.00 0.00 178.44 179.51 1sov n ARG 43 N -4.44 0.91 -3.88 1.13 1.74 -0.51 -4.95 116.66 106.65 1sov n ARG 43 Ca 0.10 -0.60 -0.27 0.00 -0.77 0.00 0.00 57.85 56.30 1sov n ARG 43 Cb 0.03 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 1sov n ARG 43 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1sov n GLU 44 N -0.52 -4.86 0.08 5.56 2.13 0.81 -4.89 120.64 118.94 1sov n GLU 44 Ca 0.11 0.56 -0.12 0.00 0.66 0.00 0.00 57.16 58.37 1sov n GLU 44 Cb 0.38 -5.24 -0.05 0.00 0.27 0.00 0.00 31.44 26.80 1sov n GLU 44 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1sov h LEU 45 N -1.94 0.43 -7.03 4.31 5.85 -1.24 -3.49 115.31 112.21 1sov h LEU 45 Ca -0.60 -0.36 0.31 0.00 0.84 0.00 0.00 57.88 58.07 1sov h LEU 45 Cb 1.37 -0.13 -0.18 0.00 0.37 0.00 0.00 40.66 42.09 1sov h LEU 45 CO 0.64 1.17 0.90 0.00 -0.34 0.00 0.00 178.44 180.82 1sov s ALA 46 N -3.17 -2.19 0.60 1.25 0.00 -1.26 -4.56 121.76 112.44 1sov s ALA 46 Ca -0.05 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 1sov s ALA 46 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1sov s ALA 46 CO 0.86 -0.68 1.12 -0.51 0.00 0.00 0.00 175.76 176.55 1sov s ASP 47 N -2.29 5.40 -0.04 0.00 1.01 0.40 -4.69 116.67 116.46 1sov s ASP 47 Ca 0.11 2.09 0.05 0.00 0.71 0.00 0.00 52.55 55.51 1sov s ASP 47 Cb 0.01 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1sov s ASP 47 CO -0.04 -1.43 -0.17 -0.69 0.21 0.00 0.00 175.17 173.04 1sov s VAL 49 N -2.05 1.43 -0.21 -1.27 1.01 0.80 -1.11 120.40 118.99 1sov s VAL 49 Ca 0.70 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1sov s VAL 49 Cb -0.22 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1sov s VAL 49 CO 0.34 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 175.03 1sov s VAL 50 N -0.08 2.48 -0.60 2.92 1.01 -0.82 -1.29 120.40 124.03 1sov s VAL 50 Ca -0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 1sov s VAL 50 Cb -0.10 -2.16 0.11 0.00 0.00 0.00 0.00 36.38 34.22 1sov s VAL 50 CO 0.01 0.38 0.71 -0.76 0.00 0.00 0.00 175.10 175.45 1sov s LEU 51 N 1.31 5.40 -0.15 3.92 1.43 0.66 -0.22 118.68 131.04 1sov s LEU 51 Ca 0.02 -1.46 -0.09 0.00 -1.03 0.00 0.00 54.13 51.58 1sov s LEU 51 Cb -0.15 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1sov s LEU 51 CO -0.08 -1.11 0.15 0.12 0.23 0.00 0.00 176.35 175.65 1sov s PHE 52 N 2.66 3.53 -0.12 0.29 5.36 0.11 -1.49 117.98 128.33 1sov s PHE 52 Ca 0.12 0.47 -0.30 0.00 -0.96 0.00 0.00 56.93 56.26 1sov s PHE 52 Cb -0.24 -2.04 0.12 0.00 -0.34 0.00 0.00 43.02 40.52 1sov s PHE 52 CO 0.06 0.56 0.94 0.34 -1.46 0.00 0.00 175.22 175.65 1sov s ASP 53 N -0.48 -0.41 -1.13 6.13 -1.08 -0.78 -0.30 116.67 118.61 1sov s ASP 53 Ca 0.13 0.37 -0.04 0.00 -0.52 0.00 0.00 52.55 52.49 1sov s ASP 53 Cb -0.12 0.35 0.26 0.00 -1.46 0.00 0.00 42.92 41.95 1sov s ASP 53 CO 0.02 -0.43 1.81 1.33 0.52 0.00 0.00 175.17 178.43 1sov n VAL 54 N 0.58 5.46 -3.87 1.11 0.24 -1.26 -4.27 118.33 116.32 1sov n VAL 54 Ca -0.11 -5.47 -0.12 0.00 -2.04 0.00 0.00 64.34 56.60 1sov n VAL 54 Cb 0.58 -1.93 -0.13 0.00 -1.47 0.00 0.00 33.84 30.89 1sov n VAL 54 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1sov s VAL 55 N -2.60 0.02 0.06 3.34 1.01 -1.26 -5.15 120.40 115.82 1sov s VAL 55 Ca 0.39 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 1sov s VAL 55 Cb 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.32 1sov s VAL 55 CO -0.02 -0.08 0.55 0.42 0.00 0.00 0.00 175.10 175.97 1sov s THR 56 N -0.22 4.79 0.00 3.92 -4.23 -1.26 -4.57 115.64 114.07 1sov s THR 56 Ca -0.03 1.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 1sov s THR 56 Cb -0.02 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1sov s THR 56 CO 0.00 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1sov n GLY 57 N 1.81 0.90 0.22 3.99 0.00 -1.26 -4.69 105.19 106.16 1sov n GLY 57 Ca -0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 1sov n GLY 57 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1sov h MET 58 N 0.00 -0.02 -0.74 1.61 1.85 -2.00 -0.22 114.93 115.41 1sov h MET 58 Ca 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1sov h MET 58 Cb 0.00 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.00 1sov h MET 58 CO 0.00 -0.02 0.49 -1.35 -0.40 0.00 0.00 176.91 175.63 1sov h PRO 59 N -0.03 0.96 -0.30 0.39 0.11 -1.83 -1.12 132.00 130.18 1sov h PRO 59 Ca 0.24 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.19 1sov h PRO 59 Cb 0.40 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1sov h PRO 59 CO -0.54 0.64 -0.25 1.49 -0.21 0.00 0.00 178.00 179.13 1sov h GLU 60 N 0.99 0.59 -0.63 1.05 4.57 -1.49 -0.58 114.58 119.08 1sov h GLU 60 Ca 0.27 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1sov h GLU 60 Cb -0.10 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1sov h GLU 60 CO -0.06 0.79 0.22 0.78 -1.18 0.00 0.00 179.01 179.57 1sov h GLY 61 N 1.01 1.04 1.60 1.92 0.00 -0.09 -1.09 103.07 107.45 1sov h GLY 61 Ca 0.07 -0.59 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 1sov h GLY 61 CO 0.05 0.55 -0.52 0.50 0.00 0.00 0.00 176.54 177.13 1sov h LYS 62 N 0.90 0.43 -0.58 4.80 1.57 -1.05 -1.62 116.57 121.01 1sov h LYS 62 Ca 0.21 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1sov h LYS 62 Cb 0.25 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1sov h LYS 62 CO -0.01 0.84 0.02 0.00 -0.57 0.00 0.00 179.45 179.73 1sov h ALA 63 N 1.11 0.93 -0.43 3.86 0.00 -0.82 0.16 119.26 124.08 1sov h ALA 63 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1sov h ALA 63 Cb 1.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sov h ALA 63 CO 0.09 0.64 0.06 -0.07 0.00 0.00 0.00 179.25 179.97 1sov h LEU 64 N 0.92 0.69 0.35 0.00 3.38 -1.05 0.14 115.31 119.74 1sov h LEU 64 Ca 0.17 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1sov h LEU 64 Cb 0.51 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1sov h LEU 64 CO 0.02 0.78 -0.17 -0.78 0.09 0.00 0.00 178.44 178.39 1sov h ASP 65 N 0.57 -0.39 -0.69 -0.43 3.58 -0.94 -0.58 116.42 117.53 1sov h ASP 65 Ca 0.13 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1sov h ASP 65 Cb 0.40 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1sov h ASP 65 CO 0.01 -0.21 0.41 0.44 -2.88 0.00 0.00 179.24 177.01 1sov h ASP 66 N -0.56 0.84 -0.69 2.28 3.32 -0.68 -2.37 116.42 118.56 1sov h ASP 66 Ca -0.05 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.96 1sov h ASP 66 Cb 0.41 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1sov h ASP 66 CO 0.08 0.67 0.44 -1.28 -1.72 0.00 0.00 179.24 177.42 1sov h SER 67 N 0.95 0.72 0.32 6.45 0.87 -0.60 -2.08 113.55 120.18 1sov h SER 67 Ca 0.25 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1sov h SER 67 Cb -0.01 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1sov h SER 67 CO -0.04 0.50 -0.19 1.56 -0.53 0.00 0.00 176.83 178.13 1sov h GLN 68 N 0.86 0.00 0.00 2.24 4.20 -0.80 -1.94 115.11 119.67 1sov h GLN 68 Ca 0.28 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1sov h GLN 68 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1sov h GLN 68 CO -0.10 0.19 -0.12 0.00 -0.67 0.00 0.00 178.83 178.12 1sov h ALA 69 N 1.81 1.13 -0.76 3.87 0.00 -0.86 -2.94 119.26 121.52 1sov h ALA 69 Ca -0.00 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1sov h ALA 69 Cb 0.40 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1sov h ALA 69 CO 0.02 0.16 0.50 1.79 0.00 0.00 0.00 179.25 181.72 1sov h THR 70 N 0.00 1.07 -0.33 0.00 1.35 -1.32 -1.57 112.91 112.10 1sov h THR 70 Ca -0.00 -0.29 0.01 0.00 -0.55 0.00 0.00 66.41 65.58 1sov h THR 70 Cb 0.47 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 1sov h THR 70 CO 0.02 0.16 0.20 0.28 -0.25 0.00 0.00 175.52 175.92 1sov h SER 71 N 0.86 0.33 0.24 5.36 0.02 -1.68 0.12 113.55 118.79 1sov h SER 71 Ca 0.32 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.11 1sov h SER 71 Cb 0.17 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1sov h SER 71 CO -0.10 0.24 -0.61 0.40 -1.14 0.00 0.00 176.83 175.62 1sov h ILE 72 N 0.41 1.36 0.00 3.27 2.04 -1.61 -2.49 117.51 120.49 1sov h ILE 72 Ca 0.13 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1sov h ILE 72 Cb -0.01 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1sov h ILE 72 CO -0.06 0.59 0.00 0.00 0.00 0.00 0.00 178.15 178.68 1sov n ALA 73 N -2.49 2.22 -3.21 1.87 0.00 -0.62 -4.90 120.51 113.37 1sov n ALA 73 Ca -0.03 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 1sov n ALA 73 Cb 0.63 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.70 1sov n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sov n ASP 73 N -1.48 -6.14 -4.72 0.00 8.00 0.27 -5.00 116.55 107.48 1sov n ASP 73 Ca 0.07 -0.37 -0.26 0.00 0.71 0.00 0.00 54.79 54.94 1sov n ASP 73 Cb 0.30 -4.92 -0.08 0.00 -0.02 0.00 0.00 41.12 36.39 1sov n ASP 73 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1sov s THR 74 N -3.22 2.15 -0.30 -3.53 -4.23 -0.28 -5.03 115.64 101.20 1sov s THR 74 Ca 0.39 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1sov s THR 74 Cb -0.17 -2.93 0.10 0.00 1.34 0.00 0.00 72.50 70.84 1sov s THR 74 CO 0.49 0.00 0.13 0.21 -0.54 0.00 0.00 174.62 174.91 1sov s ASN 75 N -3.87 3.53 0.09 3.99 2.47 -1.26 -4.48 114.94 115.41 1sov s ASN 75 Ca 0.38 -1.41 0.02 0.00 0.42 0.00 0.00 52.86 52.27 1sov s ASN 75 Cb 0.05 -0.40 -0.04 0.00 -1.45 0.00 0.00 41.25 39.41 1sov s ASN 75 CO 0.20 -0.43 -0.07 0.68 -3.72 0.00 0.00 177.10 173.77 1sov s VAL 76 N 1.96 0.70 -0.16 -5.21 -7.23 -1.26 -5.01 120.40 104.19 1sov s VAL 76 Ca 0.10 -1.76 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 1sov s VAL 76 Cb -0.17 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 1sov s VAL 76 CO -0.32 -0.76 0.27 -0.55 -0.31 0.00 0.00 175.10 173.43 1sov s SER 77 N -2.74 6.41 -0.19 4.85 0.15 -1.26 -4.97 113.70 115.94 1sov s SER 77 Ca 0.08 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.22 1sov s SER 77 Cb 0.02 -2.17 0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1sov s SER 77 CO -0.03 0.13 -0.16 -0.69 1.20 0.00 0.00 173.24 173.68 1sov s VAL 78 N 0.37 1.96 0.32 4.45 1.01 -1.26 -0.14 120.40 127.10 1sov s VAL 78 Ca 0.15 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1sov s VAL 78 Cb -0.13 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 1sov s VAL 78 CO 0.03 0.36 0.06 0.42 0.00 0.00 0.00 175.10 175.97 1sov s THR 79 N 1.29 1.15 0.27 3.92 -4.23 -0.41 -4.74 115.64 112.89 1sov s THR 79 Ca 0.01 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.64 1sov s THR 79 Cb -0.15 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 1sov s THR 79 CO -0.10 0.00 -0.18 -0.94 -0.54 0.00 0.00 174.62 172.85 1sov s SER 80 N -3.48 3.68 0.13 3.99 1.04 -1.26 -0.24 113.70 117.56 1sov s SER 80 Ca 0.36 -0.98 -0.18 0.00 0.48 0.00 0.00 55.95 55.63 1sov s SER 80 Cb 0.09 -0.36 0.04 0.00 0.10 0.00 0.00 66.02 65.89 1sov s SER 80 CO 0.15 0.04 0.45 0.00 0.98 0.00 0.00 173.24 174.87 1sov s ALA 81 N -2.45 -1.11 0.00 5.32 0.00 -0.55 -4.85 121.76 118.12 1sov s ALA 81 Ca 0.30 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1sov s ALA 81 Cb -0.05 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1sov s ALA 81 CO 0.15 -0.67 0.08 0.27 0.00 0.00 0.00 175.76 175.59 1sov n ASN 83 N -0.24 0.16 -4.40 0.00 0.23 -1.26 -1.88 115.26 107.88 1sov n ASN 83 Ca -0.16 -0.66 -0.33 0.00 -0.53 0.00 0.00 54.58 52.89 1sov n ASN 83 Cb 0.64 0.10 -0.14 0.00 -2.08 0.00 0.00 39.78 38.30 1sov n ASN 83 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1sov s GLN 84 N -0.10 3.43 0.57 -3.83 -1.52 -1.26 -4.81 119.66 112.14 1sov s GLN 84 Ca 0.00 -0.65 0.27 0.00 -1.95 0.00 0.00 55.36 53.02 1sov s GLN 84 Cb 0.00 -2.68 1.56 0.00 -0.22 0.00 0.00 33.01 31.67 1sov s GLN 84 CO 0.00 0.22 2.07 1.88 -0.25 0.00 0.00 175.29 179.21 1sov h TYR 85 N 6.69 0.00 -0.14 0.91 0.05 -1.96 -1.64 116.97 120.87 1sov h TYR 85 Ca -0.27 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.56 1sov h TYR 85 Cb 1.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 1sov h TYR 85 CO 0.51 0.00 0.20 1.05 -1.05 0.00 0.00 178.16 178.87 1sov h GLU 86 N 0.00 0.00 0.00 4.88 9.09 -1.96 0.14 114.58 126.73 1sov h GLU 86 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.53 1sov h GLU 86 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1sov h GLU 86 CO -0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 1sov n LYS 87 N -3.59 0.07 -0.28 1.06 4.76 -0.62 -2.36 118.16 117.20 1sov n LYS 87 Ca 0.01 0.26 0.10 0.00 -2.87 0.00 0.00 58.31 55.81 1sov n LYS 87 Cb 0.31 -1.62 0.27 0.00 -1.84 0.00 0.00 35.03 32.15 1sov n LYS 87 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1sov n ILE 88 N -1.75 0.73 -1.75 -0.18 -5.35 0.48 -4.95 119.36 106.59 1sov n ILE 88 Ca 0.04 -0.77 -0.42 0.00 -0.27 0.00 0.00 62.75 61.33 1sov n ILE 88 Cb 0.23 0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 38.62 1sov n ILE 88 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sov n ALA 89 N 1.26 2.20 -0.92 -1.28 0.00 -1.00 -2.02 120.51 118.76 1sov n ALA 89 Ca 0.20 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1sov n ALA 89 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1sov n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sov n GLY 90 N 1.06 0.83 3.76 0.00 0.00 -1.22 -5.00 105.19 104.62 1sov n GLY 90 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1sov n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sov s SER 91 N -2.68 6.60 -0.02 1.61 0.01 -0.86 -4.77 113.70 113.60 1sov s SER 91 Ca 0.00 2.78 0.02 0.00 1.31 0.00 0.00 55.95 60.07 1sov s SER 91 Cb 0.00 -2.64 -0.25 0.00 0.21 0.00 0.00 66.02 63.33 1sov s SER 91 CO 0.00 -0.70 0.76 0.44 0.41 0.00 0.00 173.24 174.15 1sov h ASP 92 N 3.95 0.23 -4.38 2.44 3.32 -1.18 -3.37 116.42 117.43 1sov h ASP 92 Ca -0.48 -0.38 -0.31 0.00 0.02 0.00 0.00 57.03 55.87 1sov h ASP 92 Cb 1.23 -0.07 -0.24 0.00 0.22 0.00 0.00 39.33 40.46 1sov h ASP 92 CO 0.70 1.33 -0.75 -0.69 -1.72 0.00 0.00 179.24 178.11 1sov s VAL 93 N -2.61 0.55 -0.09 -1.35 1.01 -1.07 -0.94 120.40 115.89 1sov s VAL 93 Ca -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1sov s VAL 93 Cb 0.07 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1sov s VAL 93 CO 0.83 -0.14 -0.12 -0.69 0.00 0.00 0.00 175.10 174.97 1sov s VAL 94 N -0.83 1.26 -0.21 2.92 1.01 -0.44 -0.98 120.40 123.13 1sov s VAL 94 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1sov s VAL 94 Cb -0.07 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1sov s VAL 94 CO 0.00 0.39 -0.15 -0.63 0.00 0.00 0.00 175.10 174.72 1sov s ILE 95 N 1.04 2.34 -0.36 2.22 1.01 -0.05 -0.93 121.20 126.46 1sov s ILE 95 Ca -0.07 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 1sov s ILE 95 Cb -0.15 -2.09 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1sov s ILE 95 CO -0.01 0.38 0.24 -0.63 0.00 0.00 0.00 174.94 174.92 1sov s ILE 96 N 1.28 5.09 -0.42 2.92 1.01 -0.23 -0.90 121.20 129.95 1sov s ILE 96 Ca 0.02 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1sov s ILE 96 Cb -0.15 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1sov s ILE 96 CO -0.09 -0.11 0.66 0.35 0.00 0.00 0.00 174.94 175.74 1sov n THR 97 N 5.09 0.10 -1.83 2.92 -2.24 0.09 -0.12 114.28 118.29 1sov n THR 97 Ca -0.12 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 1sov n THR 97 Cb 0.48 1.02 0.05 0.00 -2.10 0.00 0.00 70.33 69.78 1sov n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sov s ALA 98 N -0.36 2.52 0.00 6.98 0.00 -0.83 -4.70 121.76 125.38 1sov s ALA 98 Ca 0.04 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1sov s ALA 98 Cb 0.03 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1sov s ALA 98 CO 0.04 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.79 1sov n GLY 99 N 0.76 2.96 3.79 0.00 0.00 -1.26 -4.66 105.19 106.78 1sov n GLY 99 Ca 0.14 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1sov n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sov s LEU 100 N 0.00 3.99 -0.01 0.99 1.43 -1.26 -4.95 118.68 118.86 1sov s LEU 100 Ca 0.00 2.04 0.14 0.00 -1.03 0.00 0.00 54.13 55.28 1sov s LEU 100 Cb 0.00 -4.36 -0.19 0.00 0.03 0.00 0.00 46.19 41.67 1sov s LEU 100 CO 0.00 -0.70 0.42 0.35 0.23 0.00 0.00 176.35 176.65 1sov n THR 101 N -0.54 0.00 -3.85 5.49 -2.24 -1.26 -4.73 114.28 107.15 1sov n THR 101 Ca 0.07 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 1sov n THR 101 Cb 0.51 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 1sov n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sov s LYS 102 N -2.71 1.31 0.00 -0.78 1.02 -1.26 -5.00 119.74 112.33 1sov s LYS 102 Ca -0.01 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1sov s LYS 102 Cb 0.10 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.87 1sov s LYS 102 CO 0.58 -0.53 0.00 0.28 -0.92 0.00 0.00 175.35 174.76 1sov n VAL 103 N -0.30 0.00 0.00 3.17 0.31 -1.26 -5.05 118.33 115.20 1sov n VAL 103 Ca -0.08 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1sov n VAL 103 Cb 0.63 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 1sov n VAL 103 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sov n SER 108 N -2.22 0.00 0.22 4.52 2.88 -1.26 -5.21 113.62 112.54 1sov n SER 108 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1sov n SER 108 Cb 0.00 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.09 1sov n SER 108 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1sov h ARG 109 N 0.00 0.04 -0.70 -1.46 3.08 -2.00 0.11 114.38 113.45 1sov h ARG 109 Ca 0.00 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1sov h ARG 109 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1sov h ARG 109 CO 0.00 0.03 0.46 -0.91 -1.07 0.00 0.00 179.97 178.48 1sov h ASN 110 N 0.04 0.65 0.48 7.04 2.35 -1.99 -0.51 115.58 123.63 1sov h ASN 110 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1sov h ASN 110 Cb 0.09 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1sov h ASN 110 CO -0.00 0.42 0.00 0.44 -1.65 0.00 0.00 177.43 176.64 1sov h ASP 111 N 0.74 0.00 1.10 5.81 3.32 -1.22 -2.51 116.42 123.65 1sov h ASP 111 Ca 0.30 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 1sov h ASP 111 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1sov h ASP 111 CO -0.10 0.00 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.22 1sov h LEU 112 N 0.00 0.00 -0.48 1.55 3.38 -1.13 -3.38 115.31 115.25 1sov h LEU 112 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1sov h LEU 112 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1sov h LEU 112 CO 0.00 0.13 -0.28 -0.11 0.09 0.00 0.00 178.44 178.27 1sov n LEU 113 N -3.24 -0.51 -0.14 1.67 7.94 -0.95 -1.57 117.00 120.20 1sov n LEU 113 Ca 0.01 1.03 -0.04 0.00 -1.11 0.00 0.00 56.01 55.90 1sov n LEU 113 Cb 0.41 -0.20 0.05 0.00 0.53 0.00 0.00 43.42 44.20 1sov n LEU 113 CO 0.31 -0.78 0.90 -0.65 -1.11 0.00 0.00 177.39 176.07 1sov h PRO 114 N 0.00 0.21 -0.22 1.96 0.11 -1.86 -0.33 132.00 131.87 1sov h PRO 114 Ca 0.08 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1sov h PRO 114 Cb 0.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1sov h PRO 114 CO -0.45 0.14 -0.15 0.74 -0.21 0.00 0.00 178.00 178.08 1sov h PHE 115 N 0.22 0.57 0.00 0.65 -1.00 -1.69 -3.26 116.94 112.43 1sov h PHE 115 Ca 0.22 -0.15 -0.10 0.00 2.81 0.00 0.00 57.97 60.74 1sov h PHE 115 Cb 0.28 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1sov h PHE 115 CO -0.21 0.79 -0.49 -0.91 -1.61 0.00 0.00 178.31 175.88 1sov h ASN 116 N 0.18 0.00 -0.87 2.17 2.35 -1.19 -3.10 115.58 115.13 1sov h ASN 116 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1sov h ASN 116 Cb 0.66 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 1sov h ASN 116 CO 0.04 0.49 0.45 0.00 -1.65 0.00 0.00 177.43 176.75 1sov h ALA 117 N 1.51 1.15 -0.49 -0.83 0.00 -1.12 0.13 119.26 119.60 1sov h ALA 117 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1sov h ALA 117 Cb 1.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1sov h ALA 117 CO 0.06 0.66 0.13 -0.22 0.00 0.00 0.00 179.25 179.89 1sov h LYS 118 N 1.23 0.77 -0.30 0.00 3.64 -1.59 -0.89 116.57 119.43 1sov h LYS 118 Ca 0.30 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1sov h LYS 118 Cb 0.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1sov h LYS 118 CO -0.04 0.74 -0.02 0.82 -2.27 0.00 0.00 179.45 178.67 1sov h ILE 119 N 0.66 1.27 -0.66 2.00 2.04 -1.37 -2.43 117.51 119.02 1sov h ILE 119 Ca 0.16 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1sov h ILE 119 Cb 0.30 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1sov h ILE 119 CO -0.00 0.32 0.31 0.40 0.00 0.00 0.00 178.15 179.18 1sov h ILE 120 N 0.33 1.22 -0.22 -0.67 1.08 -0.67 -1.19 117.51 117.38 1sov h ILE 120 Ca 0.08 -0.61 -0.07 0.00 -0.39 0.00 0.00 64.86 63.87 1sov h ILE 120 Cb 0.48 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1sov h ILE 120 CO 0.02 0.26 -0.19 0.03 -0.69 0.00 0.00 178.15 177.58 1sov h ARG 121 N 0.94 0.38 -0.40 2.37 3.08 -0.98 0.71 114.38 120.48 1sov h ARG 121 Ca 0.23 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 1sov h ARG 121 Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1sov h ARG 121 CO -0.03 0.56 -0.28 0.93 -1.07 0.00 0.00 179.97 180.08 1sov h GLU 122 N 0.35 0.89 -0.54 0.04 5.08 -0.81 -2.17 114.58 117.43 1sov h GLU 122 Ca 0.06 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1sov h GLU 122 Cb 0.54 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1sov h GLU 122 CO 0.04 1.08 0.17 0.28 -1.00 0.00 0.00 179.01 179.57 1sov h VAL 123 N 0.70 1.24 -0.95 3.13 2.07 -0.82 -1.99 116.25 119.63 1sov h VAL 123 Ca 0.08 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.88 1sov h VAL 123 Cb 0.86 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1sov h VAL 123 CO 0.08 0.30 0.61 0.00 0.02 0.00 0.00 177.57 178.57 1sov h ALA 124 N 1.03 1.50 -0.54 1.67 0.00 -0.73 0.11 119.26 122.30 1sov h ALA 124 Ca 0.17 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1sov h ALA 124 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1sov h ALA 124 CO -0.01 0.34 -0.09 1.96 0.00 0.00 0.00 179.25 181.46 1sov h GLN 125 N 1.05 1.00 -0.35 0.00 1.08 -0.95 0.81 115.11 117.76 1sov h GLN 125 Ca 0.42 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1sov h GLN 125 Cb 0.26 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1sov h GLN 125 CO -0.17 1.04 0.10 0.78 -0.95 0.00 0.00 178.83 179.62 1sov h GLY 126 N 0.95 0.59 0.90 3.46 0.00 -0.57 -2.03 103.07 106.37 1sov h GLY 126 Ca 0.14 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1sov h GLY 126 CO 0.04 0.33 -0.03 -2.08 0.00 0.00 0.00 176.54 174.81 1sov h VAL 127 N 0.41 1.27 -0.91 4.60 2.07 -0.90 -1.12 116.25 121.66 1sov h VAL 127 Ca 0.11 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.67 1sov h VAL 127 Cb 0.27 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1sov h VAL 127 CO -0.00 0.33 0.60 0.50 0.02 0.00 0.00 177.57 179.01 1sov h LYS 128 N 0.37 1.05 0.06 1.57 3.64 -0.81 -0.35 116.57 122.10 1sov h LYS 128 Ca 0.09 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1sov h LYS 128 Cb 0.49 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1sov h LYS 128 CO 0.02 0.69 -0.54 -0.22 -2.27 0.00 0.00 179.45 177.14 1sov h LYS 129 N 1.08 0.26 0.00 1.90 3.64 -1.24 -3.37 116.57 118.83 1sov h LYS 129 Ca 0.38 -0.36 -0.24 0.00 -1.27 0.00 0.00 60.65 59.17 1sov h LYS 129 Cb 0.14 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1sov h LYS 129 CO -0.14 1.11 -2.19 0.66 -2.27 0.00 0.00 179.45 176.62 1sov n TYR 130 N -4.29 0.07 -2.92 1.91 4.02 -0.44 -4.74 117.16 110.78 1sov n TYR 130 Ca -0.12 0.03 -0.13 0.00 -0.01 0.00 0.00 57.90 57.67 1sov n TYR 130 Cb 0.68 -0.85 0.03 0.00 -0.02 0.00 0.00 39.34 39.18 1sov n TYR 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sov h PRO 132 N 2.90 0.00 -0.23 0.00 0.13 -1.41 -1.84 132.00 131.56 1sov h PRO 132 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1sov h PRO 132 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1sov h PRO 132 CO 0.32 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.37 1sov n LEU 132 N -2.56 1.91 -4.80 1.56 4.77 -1.26 -4.90 117.00 111.72 1sov n LEU 132 Ca -0.00 -0.83 -0.30 0.00 -0.03 0.00 0.00 56.01 54.84 1sov n LEU 132 Cb 0.15 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1sov n LEU 132 CO 0.18 0.41 0.70 0.00 -1.33 0.00 0.00 177.39 177.36 1sov s ALA 133 N -1.71 2.34 -0.18 -1.18 0.00 -0.69 -4.98 121.76 115.36 1sov s ALA 133 Ca 0.32 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 1sov s ALA 133 Cb 0.17 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1sov s ALA 133 CO 0.25 -1.61 0.33 0.12 0.00 0.00 0.00 175.76 174.85 1sov s PHE 134 N -3.06 3.42 -0.15 0.00 5.36 -0.12 -4.91 117.98 118.53 1sov s PHE 134 Ca 0.60 0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 57.14 1sov s PHE 134 Cb -0.15 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1sov s PHE 134 CO 0.55 0.14 -0.09 0.08 -1.46 0.00 0.00 175.22 174.43 1sov s VAL 135 N 0.81 3.33 -0.26 3.12 1.01 0.15 -1.33 120.40 127.22 1sov s VAL 135 Ca 0.17 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1sov s VAL 135 Cb -0.14 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.87 1sov s VAL 135 CO 0.06 0.51 -0.09 -0.63 0.00 0.00 0.00 175.10 174.94 1sov s ILE 136 N 0.47 2.36 0.09 2.22 1.01 -0.10 -1.33 121.20 125.92 1sov s ILE 136 Ca -0.07 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 58.88 1sov s ILE 136 Cb -0.15 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 1sov s ILE 136 CO 0.04 -0.00 0.56 -0.69 0.00 0.00 0.00 174.94 174.84 1sov s VAL 137 N 1.15 4.79 0.00 2.92 1.01 0.37 -1.06 120.40 129.57 1sov s VAL 137 Ca -0.07 1.08 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1sov s VAL 137 Cb -0.19 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1sov s VAL 137 CO -0.05 0.46 0.00 0.52 0.00 0.00 0.00 175.10 176.03 1sov n VAL 138 N 1.44 0.00 -1.58 2.92 0.31 0.82 -0.58 118.33 121.66 1sov n VAL 138 Ca -0.09 0.00 -0.52 0.00 -0.01 0.00 0.00 64.34 63.72 1sov n VAL 138 Cb 0.51 -0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 33.04 1sov n VAL 138 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1sov n THR 139 N -1.65 0.14 -3.30 2.52 -1.04 -1.09 -4.72 114.28 105.14 1sov n THR 139 Ca 0.00 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.67 1sov n THR 139 Cb 0.26 -0.75 -0.04 0.00 -1.82 0.00 0.00 70.33 67.99 1sov n THR 139 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1sov s ASN 140 N 0.36 6.53 -0.16 8.00 0.02 -1.26 -3.04 114.94 125.40 1sov s ASN 140 Ca 0.83 0.86 -0.29 0.00 -1.02 0.00 0.00 52.86 53.24 1sov s ASN 140 Cb -0.97 -2.20 -0.02 0.00 0.02 0.00 0.00 41.25 38.08 1sov s ASN 140 CO 0.48 -0.17 1.40 -2.16 0.02 0.00 0.00 177.10 176.68 1sov s PRO 141 N -3.29 4.14 0.07 -0.60 0.04 -1.26 -4.71 135.00 129.40 1sov s PRO 141 Ca 0.46 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 1sov s PRO 141 Cb -0.11 -3.86 -0.08 0.00 0.04 0.00 0.00 34.50 30.49 1sov s PRO 141 CO 0.26 -0.85 1.34 1.25 0.04 0.00 0.00 177.00 179.04 1sov h LEU 142 N 10.19 -1.06 -1.10 -3.56 7.12 -1.82 0.60 115.31 125.69 1sov h LEU 142 Ca -0.30 0.13 0.11 0.00 0.13 0.00 0.00 57.88 57.94 1sov h LEU 142 Cb 1.13 0.41 -0.08 0.00 -0.53 0.00 0.00 40.66 41.60 1sov h LEU 142 CO 0.98 -0.29 0.61 0.44 -0.13 0.00 0.00 178.44 180.04 1sov h ASP 143 N -0.35 0.87 -0.22 1.25 3.32 -1.87 0.12 116.42 119.54 1sov h ASP 143 Ca 0.02 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 1sov h ASP 143 Cb 0.41 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1sov h ASP 143 CO -0.27 0.49 -0.33 0.00 -1.72 0.00 0.00 179.24 177.41 1sov h MET 145 N 0.31 0.16 -0.57 0.00 2.86 0.19 -0.73 114.93 117.15 1sov h MET 145 Ca 0.02 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 1sov h MET 145 Cb 0.91 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1sov h MET 145 CO 0.08 0.47 0.01 0.28 1.06 0.00 0.00 176.91 178.81 1sov h VAL 146 N 0.14 1.26 -0.51 -2.22 2.07 -0.76 0.30 116.25 116.54 1sov h VAL 146 Ca 0.02 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1sov h VAL 146 Cb 0.64 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1sov h VAL 146 CO 0.05 0.40 0.17 0.50 0.02 0.00 0.00 177.57 178.70 1sov h LYS 147 N 0.88 0.78 -0.35 1.57 1.63 -1.23 -0.75 116.57 119.11 1sov h LYS 147 Ca 0.16 -0.16 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1sov h LYS 147 Cb 0.53 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1sov h LYS 147 CO 0.03 0.72 0.19 0.00 -3.45 0.00 0.00 179.45 176.94 1sov h PHE 149 N 0.39 0.54 -0.37 0.00 3.57 -0.71 -1.50 116.94 118.86 1sov h PHE 149 Ca 0.14 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1sov h PHE 149 Cb 0.03 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1sov h PHE 149 CO -0.09 0.49 0.18 1.25 -2.23 0.00 0.00 178.31 177.92 1sov h HIS 150 N 0.43 0.34 -0.32 0.41 2.76 -0.82 0.75 115.15 118.71 1sov h HIS 150 Ca 0.12 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1sov h HIS 150 Cb 0.18 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1sov h HIS 150 CO -0.00 0.18 0.12 1.49 -1.30 0.00 0.00 177.93 178.42 1sov h GLU 151 N 0.38 0.48 -0.11 5.26 4.22 -0.97 -2.17 114.58 121.67 1sov h GLU 151 Ca 0.15 -0.09 -0.16 0.00 0.08 0.00 0.00 59.36 59.35 1sov h GLU 151 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1sov h GLU 151 CO -0.11 0.49 -0.61 0.00 -2.18 0.00 0.00 179.01 176.61 1sov h ALA 152 N 0.96 0.76 0.00 2.92 0.00 -1.07 -3.30 119.26 119.52 1sov h ALA 152 Ca 0.10 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1sov h ALA 152 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1sov h ALA 152 CO -0.01 0.72 -0.96 0.66 0.00 0.00 0.00 179.25 179.67 1sov h SER 153 N 0.28 0.00 0.00 0.00 4.64 -0.81 -3.44 113.55 114.21 1sov h SER 153 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1sov h SER 153 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1sov h SER 153 CO 0.10 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1sov n GLY 154 N 1.33 0.53 3.80 -0.77 0.00 -0.82 -4.71 105.19 104.55 1sov n GLY 154 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1sov n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sov s LEU 155 N 0.00 3.34 0.54 0.99 1.02 -1.26 -4.98 118.68 118.34 1sov s LEU 155 Ca 0.00 1.80 -0.22 0.00 0.02 0.00 0.00 54.13 55.74 1sov s LEU 155 Cb 0.00 -4.53 -0.05 0.00 0.02 0.00 0.00 46.19 41.63 1sov s LEU 155 CO 0.00 -1.41 1.28 -2.65 0.02 0.00 0.00 176.35 173.60 1sov n PRO 156 N -2.52 1.57 0.26 1.29 -0.02 -1.26 -4.89 135.00 129.42 1sov n PRO 156 Ca 0.09 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1sov n PRO 156 Cb 0.53 -2.48 0.66 0.00 -0.02 0.00 0.00 33.50 32.18 1sov n PRO 156 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1sov h LYS 157 N 1.32 0.00 0.00 -0.52 2.10 -1.94 -1.61 116.57 115.92 1sov h LYS 157 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1sov h LYS 157 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1sov h LYS 157 CO 0.56 0.05 0.00 0.27 -2.00 0.00 0.00 179.45 178.33 1sov n ASN 158 N -4.34 0.00 -0.86 7.07 6.94 -1.26 -3.50 115.26 119.31 1sov n ASN 158 Ca -0.03 0.22 0.07 0.00 -0.02 0.00 0.00 54.58 54.83 1sov n ASN 158 Cb 0.13 -0.40 0.21 0.00 -2.36 0.00 0.00 39.78 37.36 1sov n ASN 158 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1sov n MET 159 N -1.40 2.85 -4.33 -3.83 2.81 -0.61 -0.73 117.12 111.90 1sov n MET 159 Ca 0.09 -2.25 -0.22 0.00 -1.81 0.00 0.00 57.70 53.51 1sov n MET 159 Cb 0.24 -1.37 -0.16 0.00 -0.71 0.00 0.00 33.22 31.22 1sov n MET 159 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1sov s VAL 160 N -1.04 0.81 0.28 2.03 1.01 -1.23 0.30 120.40 122.56 1sov s VAL 160 Ca 0.31 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1sov s VAL 160 Cb 0.16 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1sov s VAL 160 CO 0.21 0.29 0.62 0.00 0.00 0.00 0.00 175.10 176.22 1sov s GLY 162 N -2.98 0.92 -0.25 0.00 0.00 -0.24 -0.48 107.32 104.29 1sov s GLY 162 Ca 0.17 -0.81 -0.18 0.00 0.00 0.00 0.00 44.72 43.89 1sov s GLY 162 CO 0.09 -0.67 0.53 -0.29 0.00 0.00 0.00 173.10 172.75 1sov s MET 163 N -0.44 4.10 0.43 2.90 1.75 0.25 -0.73 119.30 127.57 1sov s MET 163 Ca 0.07 0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 1sov s MET 163 Cb -0.07 -3.63 0.00 0.00 2.84 0.00 0.00 34.83 33.97 1sov s MET 163 CO -0.01 -0.31 0.00 0.00 -0.65 0.00 0.00 175.02 174.06 1sov n ALA 164 N 5.37 0.26 0.21 4.11 0.00 -1.26 -4.74 120.51 124.46 1sov n ALA 164 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1sov n ALA 164 Cb 0.50 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.71 1sov n ALA 164 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1sov h ASN 165 N 0.00 0.00 -0.56 0.00 -0.26 -1.85 -0.97 115.58 111.94 1sov h ASN 165 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1sov h ASN 165 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1sov h ASN 165 CO 0.00 0.00 0.08 0.58 -1.06 0.00 0.00 177.43 177.03 1sov h VAL 166 N 0.00 1.26 -0.21 2.81 2.07 -1.84 0.16 116.25 120.49 1sov h VAL 166 Ca 0.06 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1sov h VAL 166 Cb 0.30 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1sov h VAL 166 CO -0.00 0.36 0.01 0.25 0.02 0.00 0.00 177.57 178.21 1sov h LEU 167 N 0.82 0.36 -0.59 2.57 5.85 -1.57 -0.37 115.31 122.38 1sov h LEU 167 Ca 0.17 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1sov h LEU 167 Cb 0.42 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1sov h LEU 167 CO 0.01 0.57 0.35 0.44 -0.34 0.00 0.00 178.44 179.47 1sov h ASP 168 N 0.14 0.57 0.05 1.25 3.32 -1.05 -1.90 116.42 118.80 1sov h ASP 168 Ca 0.06 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1sov h ASP 168 Cb 0.37 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1sov h ASP 168 CO 0.01 0.39 -0.23 0.28 -1.72 0.00 0.00 179.24 177.97 1sov h SER 169 N 0.69 0.31 -0.65 6.45 0.02 -0.57 -1.67 113.55 118.13 1sov h SER 169 Ca 0.24 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1sov h SER 169 Cb 0.05 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1sov h SER 169 CO -0.11 0.55 0.36 0.00 -1.14 0.00 0.00 176.83 176.48 1sov h ALA 170 N 1.48 0.83 -0.05 3.77 0.00 -0.29 0.18 119.26 125.18 1sov h ALA 170 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sov h ALA 170 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sov h ALA 170 CO 0.04 0.35 0.01 0.00 0.00 0.00 0.00 179.25 179.64 1sov h ARG 171 N 0.89 0.09 -0.55 0.00 3.08 -1.04 -0.40 114.38 116.46 1sov h ARG 171 Ca 0.23 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.34 1sov h ARG 171 Cb 0.04 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 1sov h ARG 171 CO -0.04 0.34 0.16 0.35 -1.07 0.00 0.00 179.97 179.71 1sov h PHE 172 N -0.17 0.27 -0.44 3.04 3.57 -1.07 -1.33 116.94 120.80 1sov h PHE 172 Ca 0.02 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1sov h PHE 172 Cb 0.29 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1sov h PHE 172 CO 0.02 0.04 -0.01 0.00 -2.23 0.00 0.00 178.31 176.13 1sov h ARG 173 N 0.31 0.78 -0.54 1.11 3.08 -0.54 -2.44 114.38 116.15 1sov h ARG 173 Ca 0.28 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1sov h ARG 173 Cb 0.36 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1sov h ARG 173 CO -0.32 0.85 0.30 -0.09 -1.07 0.00 0.00 179.97 179.64 1sov h ARG 174 N 0.63 0.75 -0.75 0.04 9.65 -0.48 0.20 114.38 124.41 1sov h ARG 174 Ca 0.12 -0.09 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 1sov h ARG 174 Cb 0.50 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 1sov h ARG 174 CO 0.02 0.58 0.23 0.74 2.80 0.00 0.00 179.97 184.35 1sov h PHE 175 N 0.72 1.21 -0.29 2.20 0.05 -1.23 0.14 116.94 119.75 1sov h PHE 175 Ca 0.19 -0.12 -0.14 0.00 3.82 0.00 0.00 57.97 61.72 1sov h PHE 175 Cb 0.04 -0.35 -0.00 0.00 2.00 0.00 0.00 35.95 37.64 1sov h PHE 175 CO -0.02 0.95 -0.37 0.82 -0.18 0.00 0.00 178.31 179.52 1sov h ILE 176 N 1.12 1.30 -0.82 -0.55 2.04 -1.15 -2.68 117.51 116.77 1sov h ILE 176 Ca 0.24 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1sov h ILE 176 Cb 0.31 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1sov h ILE 176 CO -0.01 0.50 0.52 0.00 0.00 0.00 0.00 178.15 179.17 1sov h ALA 177 N 0.69 1.05 -0.62 1.87 0.00 -0.31 -0.74 119.26 121.19 1sov h ALA 177 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sov h ALA 177 Cb 0.95 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1sov h ALA 177 CO 0.09 0.48 0.38 -0.44 0.00 0.00 0.00 179.25 179.75 1sov h ASP 178 N 1.12 0.74 -0.43 0.00 3.32 -0.90 0.06 116.42 120.33 1sov h ASP 178 Ca 0.30 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 1sov h ASP 178 Cb -0.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1sov h ASP 178 CO -0.06 0.58 -0.21 -0.61 -1.72 0.00 0.00 179.24 177.22 1sov h GLN 179 N 0.84 0.91 -0.00 3.56 5.75 -1.09 -3.21 115.11 121.86 1sov h GLN 179 Ca 0.22 -0.40 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1sov h GLN 179 Cb -0.03 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.49 1sov h GLN 179 CO -0.04 1.05 -0.29 1.28 -2.65 0.00 0.00 178.83 178.17 1sov n LEU 180 N -4.18 0.62 -3.44 -2.39 4.77 -0.33 -4.95 117.00 107.10 1sov n LEU 180 Ca -0.01 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.76 1sov n LEU 180 Cb 0.44 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1sov n LEU 180 CO 0.46 0.13 0.08 -0.62 -1.33 0.00 0.00 177.39 176.11 1sov n GLU 181 N -1.10 -6.03 -4.04 3.23 1.02 -0.02 -5.03 120.64 108.67 1sov n GLU 181 Ca 0.10 0.83 -0.13 0.00 -0.02 0.00 0.00 57.16 57.93 1sov n GLU 181 Cb 0.33 -5.78 -0.13 0.00 -0.02 0.00 0.00 31.44 25.84 1sov n GLU 181 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sov s ILE 182 N -3.40 0.33 0.52 -3.67 1.01 -1.04 -5.07 121.20 109.88 1sov s ILE 182 Ca 0.04 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 1sov s ILE 182 Cb -0.01 -0.36 -0.06 0.00 0.01 0.00 0.00 42.46 42.04 1sov s ILE 182 CO 0.74 -0.18 1.36 -0.24 0.00 0.00 0.00 174.94 176.62 1sov n SER 183 N 2.23 2.79 0.17 3.58 2.88 -1.26 -4.54 113.62 119.47 1sov n SER 183 Ca -0.18 1.02 0.13 0.00 -1.33 0.00 0.00 58.87 58.50 1sov n SER 183 Cb 0.57 -1.57 0.58 0.00 -0.75 0.00 0.00 64.21 63.04 1sov n SER 183 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1sov h PRO 184 N 1.66 0.00 -0.84 -1.46 0.13 -1.93 -1.33 132.00 128.24 1sov h PRO 184 Ca -0.51 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1sov h PRO 184 Cb 1.30 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1sov h PRO 184 CO 0.58 0.00 0.55 -0.09 -0.23 0.00 0.00 178.00 178.81 1sov h ARG 185 N 0.00 0.93 -0.59 0.86 9.65 -1.97 -2.25 114.38 121.02 1sov h ARG 185 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1sov h ARG 185 Cb 0.22 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1sov h ARG 185 CO 0.00 0.62 0.00 -0.25 2.80 0.00 0.00 179.97 183.14 1sov n ASP 186 N -4.47 3.40 -4.32 -3.80 8.00 -0.50 -4.78 116.55 110.08 1sov n ASP 186 Ca 0.12 -2.18 -0.36 0.00 0.71 0.00 0.00 54.79 53.09 1sov n ASP 186 Cb 0.18 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 1sov n ASP 186 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sov s ILE 187 N -1.52 3.61 -0.38 0.53 -1.09 -0.85 -1.20 121.20 120.30 1sov s ILE 187 Ca 0.38 -0.62 -0.13 0.00 -2.23 0.00 0.00 60.65 58.06 1sov s ILE 187 Cb 0.23 -2.76 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 1sov s ILE 187 CO 0.22 0.25 0.26 -1.10 -1.23 0.00 0.00 174.94 173.34 1sov s GLN 188 N 1.48 3.04 -0.04 2.79 1.11 0.37 -4.94 119.66 123.46 1sov s GLN 188 Ca 0.04 -0.96 -0.01 0.00 0.01 0.00 0.00 55.36 54.44 1sov s GLN 188 Cb -0.16 -3.86 0.03 0.00 -1.01 0.00 0.00 33.01 28.01 1sov s GLN 188 CO -0.01 -0.67 0.07 0.00 0.01 0.00 0.00 175.29 174.70 1sov s ALA 189 N 1.65 -0.07 -0.02 6.09 0.00 -1.26 -0.43 121.76 127.72 1sov s ALA 189 Ca 0.04 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.48 1sov s ALA 189 Cb -0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1sov s ALA 189 CO 0.09 -0.11 -0.19 0.99 0.00 0.00 0.00 175.76 176.53 1sov s THR 190 N 0.96 1.51 -0.09 0.00 2.01 -1.26 -4.72 115.64 114.05 1sov s THR 190 Ca -0.08 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1sov s THR 190 Cb -0.11 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1sov s THR 190 CO -0.04 0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 1sov s VAL 191 N -0.41 3.15 0.43 3.82 1.01 -1.26 -0.88 120.40 126.26 1sov s VAL 191 Ca 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1sov s VAL 191 Cb -0.08 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1sov s VAL 191 CO -0.00 0.56 0.09 0.27 0.00 0.00 0.00 175.10 176.01 1sov s ILE 192 N -0.19 0.83 0.00 2.22 -4.36 -0.54 -4.78 121.20 114.37 1sov s ILE 192 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1sov s ILE 192 Cb -0.13 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1sov s ILE 192 CO 0.03 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.82 1sov n GLY 193 N -0.98 -1.52 0.00 6.27 0.00 0.27 -0.40 105.19 108.84 1sov n GLY 193 Ca -0.09 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1sov n GLY 193 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1sov n THR 194 N 0.00 0.00 -2.02 2.61 5.66 -1.26 -2.87 114.28 116.40 1sov n THR 194 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1sov n THR 194 Cb 0.00 -0.84 0.11 0.00 -1.55 0.00 0.00 70.33 68.05 1sov n THR 194 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1sov s HIS 195 N 1.12 2.54 0.00 1.09 -3.43 -1.26 -3.41 115.29 111.94 1sov s HIS 195 Ca 0.00 0.51 0.00 0.00 -0.80 0.00 0.00 55.06 54.77 1sov s HIS 195 Cb 0.00 -3.55 0.00 0.00 -1.43 0.00 0.00 32.58 27.60 1sov s HIS 195 CO 0.00 -1.90 0.00 0.41 -2.00 0.00 0.00 174.74 171.25 1sov n GLY 196 N -3.30 -1.37 0.00 -1.38 0.00 -1.26 -3.87 105.19 94.00 1sov n GLY 196 Ca 0.10 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.92 1sov n GLY 196 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sov n ASP 197 N -0.16 0.00 -0.39 1.61 8.00 -1.26 -2.13 116.55 122.22 1sov n ASP 197 Ca 0.00 0.28 0.13 0.00 0.71 0.00 0.00 54.79 55.91 1sov n ASP 197 Cb 0.00 -0.40 0.38 0.00 -0.02 0.00 0.00 41.12 41.09 1sov n ASP 197 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1sov n HIS 198 N -1.40 0.00 -1.27 1.24 8.25 -1.25 -4.89 115.22 115.90 1sov n HIS 198 Ca 0.06 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.18 1sov n HIS 198 Cb 0.17 -0.06 0.11 0.00 1.12 0.00 0.00 29.99 31.33 1sov n HIS 198 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sov s MET 199 N -2.29 1.85 -0.46 -0.41 0.23 -0.90 -4.40 119.30 112.92 1sov s MET 199 Ca 0.29 1.85 0.04 0.00 -1.03 0.00 0.00 55.69 56.84 1sov s MET 199 Cb 0.20 -1.79 0.12 0.00 -1.53 0.00 0.00 34.83 31.83 1sov s MET 199 CO 0.44 -2.08 0.20 -1.17 -2.03 0.00 0.00 175.02 170.39 1sov s LEU 200 N -5.37 4.23 -0.28 0.18 2.96 0.47 -4.97 118.68 115.89 1sov s LEU 200 Ca 0.76 -2.73 -0.29 0.00 -0.22 0.00 0.00 54.13 51.65 1sov s LEU 200 Cb -0.31 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 1sov s LEU 200 CO 0.48 -0.28 1.50 -2.84 -1.32 0.00 0.00 176.35 173.89 1sov s PRO 201 N 0.11 3.77 -1.22 0.98 0.02 -1.26 -1.47 135.00 135.93 1sov s PRO 201 Ca 0.15 1.40 -0.20 0.00 0.02 0.00 0.00 61.00 62.38 1sov s PRO 201 Cb -0.24 -3.99 0.04 0.00 0.02 0.00 0.00 34.50 30.32 1sov s PRO 201 CO -0.03 -1.32 1.73 -0.51 -0.33 0.00 0.00 177.00 176.54 1sov s LEU 202 N 5.09 3.63 0.32 -5.54 1.43 -0.06 -4.83 118.68 118.72 1sov s LEU 202 Ca 0.66 -2.08 0.05 0.00 -1.03 0.00 0.00 54.13 51.73 1sov s LEU 202 Cb -0.20 -2.58 0.70 0.00 0.03 0.00 0.00 46.19 44.14 1sov s LEU 202 CO 0.28 -1.59 1.85 0.00 0.23 0.00 0.00 176.35 177.12 1sov h ALA 203 N 8.45 1.69 0.00 4.21 0.00 -1.91 -1.42 119.26 130.28 1sov h ALA 203 Ca 0.35 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1sov h ALA 203 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1sov h ALA 203 CO 1.41 0.05 -0.20 -0.09 0.00 0.00 0.00 179.25 180.43 1sov h ARG 204 N 0.83 0.00 -0.64 0.00 2.43 -1.99 -2.87 114.38 112.15 1sov h ARG 204 Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1sov h ARG 204 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1sov h ARG 204 CO -0.25 0.20 0.00 0.66 -1.51 0.00 0.00 179.97 179.07 1sov n TYR 205 N -3.53 1.09 -2.56 2.20 4.01 -0.54 -4.85 117.16 112.98 1sov n TYR 205 Ca -0.01 -0.47 -0.42 0.00 -0.16 0.00 0.00 57.90 56.84 1sov n TYR 205 Cb 0.35 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1sov n TYR 205 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sov s VAL 206 N -1.50 4.46 0.12 -0.72 1.01 -1.08 -4.68 120.40 118.01 1sov s VAL 206 Ca 0.44 1.77 0.04 0.00 0.00 0.00 0.00 61.98 64.22 1sov s VAL 206 Cb 0.26 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1sov s VAL 206 CO 0.25 0.11 -0.09 0.42 0.00 0.00 0.00 175.10 175.79 1sov s THR 207 N 1.24 0.99 -0.39 3.92 -4.23 0.43 -1.30 115.64 116.30 1sov s THR 207 Ca 0.55 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1sov s THR 207 Cb -0.25 -1.69 0.09 0.00 1.34 0.00 0.00 72.50 72.00 1sov s THR 207 CO 0.27 -0.73 0.17 -0.69 -0.54 0.00 0.00 174.62 173.10 1sov s VAL 208 N -3.18 3.34 -1.51 2.29 1.01 0.25 -0.48 120.40 122.11 1sov s VAL 208 Ca 0.13 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.17 1sov s VAL 208 Cb 0.02 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.28 1sov s VAL 208 CO -0.01 -0.56 0.69 -3.20 0.00 0.00 0.00 175.10 172.02 1sov n ASN 209 N 4.64 -2.30 0.00 3.32 5.15 -0.34 -0.67 115.26 125.05 1sov n ASN 209 Ca -0.05 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1sov n ASN 209 Cb 0.42 -3.27 0.00 0.00 -0.53 0.00 0.00 39.78 36.40 1sov n ASN 209 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sov n GLY 209 N -1.70 2.52 3.67 8.20 0.00 -1.26 -5.02 105.19 111.60 1sov n GLY 209 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1sov n GLY 209 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sov s PHE 209 N -2.39 3.42 0.30 1.61 2.99 0.15 -4.95 117.98 119.10 1sov s PHE 209 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 56.93 57.98 1sov s PHE 209 Cb 0.00 -3.09 -0.13 0.00 0.00 0.00 0.00 43.02 39.81 1sov s PHE 209 CO 0.00 -0.29 1.32 -2.30 -0.00 0.00 0.00 175.22 173.96 1sov n PRO 209 N 5.41 2.05 0.02 0.24 -0.02 -1.26 -0.59 135.00 140.85 1sov n PRO 209 Ca 0.06 0.72 0.09 0.00 -2.02 0.00 0.00 63.50 62.35 1sov n PRO 209 Cb 0.48 -2.32 0.51 0.00 -0.02 0.00 0.00 33.50 32.15 1sov n PRO 209 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sov h LEU 210 N 3.21 0.32 -1.81 2.45 5.85 -1.53 -2.07 115.31 121.73 1sov h LEU 210 Ca -0.45 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.44 1sov h LEU 210 Cb 1.28 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1sov h LEU 210 CO 0.68 0.21 0.49 0.08 -0.34 0.00 0.00 178.44 179.56 1sov h ARG 210 N 0.36 0.18 -0.27 1.25 0.11 -1.90 0.11 114.38 114.22 1sov h ARG 210 Ca 0.17 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 60.12 1sov h ARG 210 Cb 0.23 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 1sov h ARG 210 CO -0.04 0.12 -0.34 0.93 0.10 0.00 0.00 179.97 180.73 1sov h GLU 211 N 0.18 0.59 -0.26 0.08 5.08 -1.74 -1.06 114.58 117.46 1sov h GLU 211 Ca 0.34 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1sov h GLU 211 Cb 1.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1sov h GLU 211 CO -0.06 0.86 -0.49 0.74 -1.00 0.00 0.00 179.01 179.06 1sov h PHE 212 N 0.50 0.85 -0.22 4.33 -1.00 -0.95 -2.05 116.94 118.41 1sov h PHE 212 Ca 0.05 -0.28 -0.02 0.00 2.81 0.00 0.00 57.97 60.53 1sov h PHE 212 Cb 0.83 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.21 1sov h PHE 212 CO 0.03 1.04 0.05 0.82 -1.61 0.00 0.00 178.31 178.65 1sov h ILE 213 N 0.55 1.21 -0.92 -0.55 2.04 -1.10 0.17 117.51 118.91 1sov h ILE 213 Ca 0.03 -0.68 0.13 0.00 1.00 0.00 0.00 64.86 65.34 1sov h ILE 213 Cb 1.05 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 1sov h ILE 213 CO 0.10 0.21 0.59 0.11 0.00 0.00 0.00 178.15 179.16 1sov h LYS 214 N 0.17 0.77 -0.04 2.37 1.57 -1.07 0.73 116.57 121.08 1sov h LYS 214 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1sov h LYS 214 Cb 0.28 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1sov h LYS 214 CO 0.00 0.51 0.00 1.63 -0.57 0.00 0.00 179.45 181.02 1sov n LYS 215 N -4.57 1.13 -1.35 3.15 4.76 -0.78 -4.89 118.16 115.61 1sov n LYS 215 Ca 0.17 -0.20 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 1sov n LYS 215 Cb 0.42 -1.26 -0.05 0.00 -1.84 0.00 0.00 35.03 32.30 1sov n LYS 215 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sov n GLY 216 N 0.81 1.30 0.16 0.72 0.00 0.26 -4.87 105.19 103.57 1sov n GLY 216 Ca 0.12 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1sov n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sov h LYS 218 N 0.01 0.00 -1.97 1.61 1.79 -0.85 -3.44 116.57 113.72 1sov h LYS 218 Ca -0.24 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.19 1sov h LYS 218 Cb 0.79 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.23 1sov h LYS 218 CO 0.36 0.00 0.15 1.41 -1.08 0.00 0.00 179.45 180.29 1sov s MET 219 N -3.28 0.82 0.40 3.15 1.75 -1.25 -4.76 119.30 116.13 1sov s MET 219 Ca 0.06 0.98 0.00 0.00 -1.25 0.00 0.00 55.69 55.49 1sov s MET 219 Cb 0.09 0.39 -0.02 0.00 2.84 0.00 0.00 34.83 38.14 1sov s MET 219 CO 0.54 -0.10 0.62 0.95 -0.65 0.00 0.00 175.02 176.38 1sov s THR 220 N 0.41 4.59 0.34 10.11 -4.23 -1.26 -4.10 115.64 121.50 1sov s THR 220 Ca -0.00 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.11 1sov s THR 220 Cb -0.05 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.30 1sov s THR 220 CO -0.00 -0.48 1.93 -0.33 -0.54 0.00 0.00 174.62 175.20 1sov h GLU 221 N 0.56 0.64 -0.52 3.99 4.39 -1.99 -1.30 114.58 120.34 1sov h GLU 221 Ca -0.48 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.09 1sov h GLU 221 Cb 1.23 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1sov h GLU 221 CO 0.59 0.54 0.18 0.00 -1.16 0.00 0.00 179.01 179.17 1sov h ALA 222 N 1.55 0.68 -0.61 3.43 0.00 -1.99 -0.63 119.26 121.69 1sov h ALA 222 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1sov h ALA 222 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sov h ALA 222 CO -0.01 0.32 0.08 -0.22 0.00 0.00 0.00 179.25 179.42 1sov h LYS 223 N 0.71 1.02 -0.51 0.00 1.63 -1.84 -0.96 116.57 116.63 1sov h LYS 223 Ca 0.17 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1sov h LYS 223 Cb 0.25 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 1sov h LYS 223 CO -0.01 0.97 0.33 1.25 -3.45 0.00 0.00 179.45 178.54 1sov h LEU 225 N 0.92 0.57 -0.81 5.20 5.85 -0.94 0.51 115.31 126.62 1sov h LEU 225 Ca 0.18 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1sov h LEU 225 Cb 0.45 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1sov h LEU 225 CO 0.02 0.42 0.34 0.00 -0.34 0.00 0.00 178.44 178.87 1sov h ALA 226 N 1.19 1.05 -0.83 1.25 0.00 -0.83 0.33 119.26 121.42 1sov h ALA 226 Ca 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sov h ALA 226 Cb -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 1sov h ALA 226 CO -0.04 0.67 0.51 1.49 0.00 0.00 0.00 179.25 181.88 1sov h GLU 227 N 1.18 1.13 -0.53 0.00 4.81 -0.54 -0.30 114.58 120.32 1sov h GLU 227 Ca 0.27 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1sov h GLU 227 Cb 0.20 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1sov h GLU 227 CO -0.02 0.79 -0.11 0.82 -0.73 0.00 0.00 179.01 179.76 1sov h ILE 228 N 1.14 1.27 -0.43 2.32 2.04 -0.15 0.19 117.51 123.90 1sov h ILE 228 Ca 0.30 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1sov h ILE 228 Cb -0.05 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1sov h ILE 228 CO -0.06 0.44 0.21 0.58 0.00 0.00 0.00 178.15 179.32 1sov h VAL 229 N 0.88 1.18 -0.58 1.67 2.07 -0.41 -0.76 116.25 120.30 1sov h VAL 229 Ca 0.14 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1sov h VAL 229 Cb 0.67 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1sov h VAL 229 CO 0.05 0.19 -0.00 -0.08 0.02 0.00 0.00 177.57 177.75 1sov h GLU 230 N 0.55 1.03 -0.31 1.57 4.57 -0.76 -2.71 114.58 118.52 1sov h GLU 230 Ca 0.15 -0.33 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1sov h GLU 230 Cb 0.12 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1sov h GLU 230 CO -0.02 1.02 0.02 -0.09 -1.18 0.00 0.00 179.01 178.76 1sov h ARG 231 N 0.92 0.46 -0.73 1.92 2.43 -0.28 -1.90 114.38 117.20 1sov h ARG 231 Ca 0.16 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1sov h ARG 231 Cb 0.55 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1sov h ARG 231 CO 0.03 0.47 0.30 1.15 -1.51 0.00 0.00 179.97 180.41 1sov h THR 232 N 0.45 1.25 -0.57 0.20 2.02 -0.84 0.71 112.91 116.13 1sov h THR 232 Ca 0.10 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 1sov h THR 232 Cb 0.26 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1sov h THR 232 CO 0.00 0.31 -0.03 0.11 0.37 0.00 0.00 175.52 176.28 1sov h LYS 233 N 1.05 1.03 -0.01 6.66 1.57 -1.16 -3.16 116.57 122.54 1sov h LYS 233 Ca 0.24 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1sov h LYS 233 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1sov h LYS 233 CO -0.02 1.03 -0.22 1.63 -0.57 0.00 0.00 179.45 181.30 1sov n LYS 234 N -4.20 0.78 -0.14 3.15 4.76 -0.77 -4.50 118.16 117.24 1sov n LYS 234 Ca 0.02 -0.42 -0.03 0.00 -2.87 0.00 0.00 58.31 55.01 1sov n LYS 234 Cb 0.36 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 32.10 1sov n LYS 234 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sov h ALA 235 N 3.65 0.45 -0.64 7.82 0.00 -0.83 -1.13 119.26 128.58 1sov h ALA 235 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1sov h ALA 235 Cb 0.47 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1sov h ALA 235 CO 0.00 -0.36 0.28 0.78 0.00 0.00 0.00 179.25 179.94 1sov h GLY 236 N 0.15 1.02 1.62 0.00 0.00 -1.81 -2.49 103.07 101.55 1sov h GLY 236 Ca 0.22 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1sov h GLY 236 CO -0.34 0.51 -0.14 -1.33 0.00 0.00 0.00 176.54 175.23 1sov h GLY 237 N 0.90 0.49 1.03 4.60 0.00 -1.75 -1.88 103.07 106.45 1sov h GLY 237 Ca 0.22 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1sov h GLY 237 CO -0.02 0.32 0.26 0.83 0.00 0.00 0.00 176.54 177.92 1sov h GLU 238 N 0.42 1.07 -0.48 4.80 4.39 -0.89 0.13 114.58 124.01 1sov h GLU 238 Ca 0.08 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1sov h GLU 238 Cb 0.50 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1sov h GLU 238 CO 0.03 0.90 -0.03 0.82 -1.16 0.00 0.00 179.01 179.57 1sov h ILE 239 N 1.01 1.27 -0.24 3.13 2.04 -1.16 -2.85 117.51 120.71 1sov h ILE 239 Ca 0.23 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1sov h ILE 239 Cb 0.25 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1sov h ILE 239 CO -0.01 0.39 0.05 0.58 0.00 0.00 0.00 178.15 179.16 1sov h VAL 240 N 0.72 0.89 0.00 1.67 2.07 -1.00 0.18 116.25 120.78 1sov h VAL 240 Ca 0.13 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1sov h VAL 240 Cb 0.55 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1sov h VAL 240 CO 0.03 0.03 0.00 -1.14 0.02 0.00 0.00 177.57 176.51 1sov n ARG 241 N -5.08 0.00 0.00 1.57 0.63 0.00 -1.79 116.66 111.99 1sov n ARG 241 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1sov n ARG 241 Cb 0.10 -0.97 0.00 0.00 0.45 0.00 0.00 32.46 32.04 1sov n ARG 241 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1sov n LEU 242 N 0.00 0.00 0.00 6.15 4.77 0.62 -4.87 117.00 123.66 1sov n LEU 242 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sov n LEU 242 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sov n LEU 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1sov n GLY 242 N 0.00 2.77 3.19 -0.72 0.00 -0.74 -4.89 105.19 104.80 1sov n GLY 242 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1sov n GLY 242 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sov s GLN 243 N -0.06 0.35 1.85 1.61 0.74 -1.26 -5.13 119.66 117.76 1sov s GLN 243 Ca 0.00 0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.87 1sov s GLN 243 Cb 0.00 0.14 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1sov s GLN 243 CO 0.00 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 1sov n GLY 244 N 3.10 -1.27 3.47 2.59 0.00 -1.26 -5.01 105.19 106.80 1sov n GLY 244 Ca -0.14 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 1sov n GLY 244 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sov s SER 245 N -4.00 0.97 0.58 1.61 1.04 -1.26 -4.59 113.70 108.05 1sov s SER 245 Ca 0.00 -1.50 -0.19 0.00 0.48 0.00 0.00 55.95 54.74 1sov s SER 245 Cb 0.00 0.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.71 1sov s SER 245 CO 0.00 -1.26 0.96 0.00 0.98 0.00 0.00 173.24 173.91 1sov n ALA 246 N -0.56 0.15 0.00 5.32 0.00 -1.26 -4.93 120.51 119.22 1sov n ALA 246 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1sov n ALA 246 Cb 0.62 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1sov n ALA 246 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1sov n TYR 247 N -1.57 0.00 0.10 0.00 4.11 -1.26 -4.77 117.16 113.77 1sov n TYR 247 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.90 1sov n TYR 247 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.72 1sov n TYR 247 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 1sov h TYR 248 N 0.00 -0.23 -0.25 -3.48 0.99 -1.92 -0.65 116.97 111.42 1sov h TYR 248 Ca 0.00 -0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.53 1sov h TYR 248 Cb 0.00 0.08 0.00 0.00 1.00 0.00 0.00 36.73 37.81 1sov h TYR 248 CO 0.00 0.07 -0.59 0.00 -0.00 0.00 0.00 178.16 177.63 1sov h ALA 249 N 0.20 0.47 -0.56 3.88 0.00 -1.99 -2.66 119.26 118.60 1sov h ALA 249 Ca -0.03 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1sov h ALA 249 Cb 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1sov h ALA 249 CO 0.04 0.69 0.37 -1.35 0.00 0.00 0.00 179.25 179.00 1sov h PRO 250 N 0.61 0.73 -0.48 0.00 0.11 -1.86 0.29 132.00 131.41 1sov h PRO 250 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1sov h PRO 250 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1sov h PRO 250 CO 0.13 0.48 0.29 0.00 -0.21 0.00 0.00 178.00 178.69 1sov h ALA 251 N 1.21 0.61 -0.23 -0.75 0.00 -1.10 -1.41 119.26 117.58 1sov h ALA 251 Ca 0.21 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1sov h ALA 251 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1sov h ALA 251 CO -0.05 0.09 -0.29 1.25 0.00 0.00 0.00 179.25 180.24 1sov h LEU 252 N 0.64 0.47 -0.22 0.00 5.85 -1.18 -1.07 115.31 119.80 1sov h LEU 252 Ca 0.17 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sov h LEU 252 Cb -0.02 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1sov h LEU 252 CO -0.03 0.75 0.14 0.28 -0.34 0.00 0.00 178.44 179.23 1sov h SER 253 N 0.40 0.27 -0.48 1.25 0.02 -0.47 -0.02 113.55 114.53 1sov h SER 253 Ca 0.05 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1sov h SER 253 Cb 0.72 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1sov h SER 253 CO 0.06 0.24 -0.16 0.00 -1.14 0.00 0.00 176.83 175.83 1sov h ALA 254 N 1.04 0.66 0.00 3.77 0.00 -1.06 -2.74 119.26 120.93 1sov h ALA 254 Ca 0.08 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1sov h ALA 254 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sov h ALA 254 CO -0.02 0.60 -0.41 0.82 0.00 0.00 0.00 179.25 180.25 1sov h ILE 255 N 0.80 1.18 -0.34 0.00 1.08 -1.05 -0.81 117.51 118.36 1sov h ILE 255 Ca 0.12 -1.45 -0.13 0.00 -0.39 0.00 0.00 64.86 63.01 1sov h ILE 255 Cb 0.72 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 1sov h ILE 255 CO 0.06 0.40 -0.30 0.74 -0.69 0.00 0.00 178.15 178.36 1sov h THR 256 N 0.00 1.28 -0.37 -0.27 2.02 -0.85 0.40 112.91 115.12 1sov h THR 256 Ca -0.00 -1.43 -0.09 0.00 0.77 0.00 0.00 66.41 65.65 1sov h THR 256 Cb 0.78 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1sov h THR 256 CO 0.05 0.47 -0.11 0.24 0.37 0.00 0.00 175.52 176.55 1sov h MET 257 N 0.62 0.73 -0.64 6.66 2.86 -1.17 -1.97 114.93 122.03 1sov h MET 257 Ca 0.07 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1sov h MET 257 Cb 0.82 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1sov h MET 257 CO 0.07 0.89 0.31 0.00 1.06 0.00 0.00 176.91 179.24 1sov h ALA 258 N 0.82 0.83 -0.43 6.32 0.00 -0.83 -2.44 119.26 123.53 1sov h ALA 258 Ca 0.09 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1sov h ALA 258 Cb 0.63 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sov h ALA 258 CO 0.04 0.39 -0.17 0.37 0.00 0.00 0.00 179.25 179.87 1sov h GLN 259 N 0.88 0.83 -0.48 0.00 4.15 -0.88 0.24 115.11 119.84 1sov h GLN 259 Ca 0.22 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1sov h GLN 259 Cb 0.11 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1sov h GLN 259 CO -0.03 0.94 0.31 0.00 -1.93 0.00 0.00 178.83 178.12 1sov h ALA 260 N 1.07 1.65 0.07 3.38 0.00 -1.06 0.80 119.26 125.17 1sov h ALA 260 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sov h ALA 260 Cb 0.69 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sov h ALA 260 CO 0.05 0.32 -0.03 0.35 0.00 0.00 0.00 179.25 179.94 1sov h PHE 261 N 0.65 -0.09 -0.99 0.00 3.57 -0.94 -0.69 116.94 118.45 1sov h PHE 261 Ca 0.18 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1sov h PHE 261 Cb -0.07 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 1sov h PHE 261 CO 0.00 0.49 0.65 -0.07 -2.23 0.00 0.00 178.31 177.15 1sov h LEU 262 N -0.82 1.09 -2.89 0.59 3.38 -0.71 -2.20 115.31 113.76 1sov h LEU 262 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sov h LEU 262 Cb 0.62 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sov h LEU 262 CO 0.02 0.75 0.00 0.29 0.09 0.00 0.00 178.44 179.59 1sov n LYS 263 N -4.43 3.21 -4.00 1.13 5.02 0.25 -4.96 118.16 114.37 1sov n LYS 263 Ca 0.13 -2.74 -0.33 0.00 -2.02 0.00 0.00 58.31 53.35 1sov n LYS 263 Cb 0.09 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.35 1sov n LYS 263 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sov n ASP 264 N 1.40 -2.09 0.07 4.39 2.03 -0.83 -4.88 116.55 116.64 1sov n ASP 264 Ca 0.25 -1.14 -0.06 0.00 0.52 0.00 0.00 54.79 54.36 1sov n ASP 264 Cb 0.75 -2.48 -0.11 0.00 -0.72 0.00 0.00 41.12 38.57 1sov n ASP 264 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1sov h GLU 265 N -2.04 0.00 -4.43 -0.67 5.08 -1.35 -3.42 114.58 107.75 1sov h GLU 265 Ca -0.67 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.51 1sov h GLU 265 Cb 1.39 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.75 1sov h GLU 265 CO 0.58 0.96 -0.52 1.63 -1.00 0.00 0.00 179.01 180.67 1sov n LYS 266 N -3.35 -2.92 -3.41 2.33 5.02 -0.57 -5.00 118.16 110.25 1sov n LYS 266 Ca 0.00 0.55 -0.36 0.00 -2.02 0.00 0.00 58.31 56.48 1sov n LYS 266 Cb 0.92 -4.47 -0.06 0.00 -0.02 0.00 0.00 35.03 31.41 1sov n LYS 266 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sov s ARG 267 N -4.41 3.96 -0.46 1.97 1.81 -0.60 -4.76 118.95 116.46 1sov s ARG 267 Ca 0.14 0.45 -0.25 0.00 -1.72 0.00 0.00 55.73 54.34 1sov s ARG 267 Cb -0.02 -3.04 0.03 0.00 -0.45 0.00 0.00 34.95 31.47 1sov s ARG 267 CO 0.47 0.56 0.93 0.08 -0.68 0.00 0.00 175.30 176.65 1sov s VAL 268 N -1.33 4.47 -0.17 3.52 1.01 -1.26 -0.65 120.40 125.99 1sov s VAL 268 Ca 0.33 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.02 1sov s VAL 268 Cb -0.16 -4.44 0.06 0.00 0.00 0.00 0.00 36.38 31.84 1sov s VAL 268 CO 0.18 -0.84 0.05 -0.76 0.00 0.00 0.00 175.10 173.73 1sov s LEU 269 N 3.76 0.83 0.17 3.92 1.43 0.37 -4.95 118.68 124.22 1sov s LEU 269 Ca 0.37 -0.68 -0.32 0.00 -1.03 0.00 0.00 54.13 52.48 1sov s LEU 269 Cb -0.10 -0.45 -0.10 0.00 0.03 0.00 0.00 46.19 45.56 1sov s LEU 269 CO 0.26 -0.31 1.58 -2.16 0.23 0.00 0.00 176.35 175.95 1sov s PRO 270 N 1.97 4.21 0.25 1.29 0.04 -1.26 -3.32 135.00 138.18 1sov s PRO 270 Ca 0.01 2.38 -0.17 0.00 0.04 0.00 0.00 61.00 63.26 1sov s PRO 270 Cb -0.16 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1sov s PRO 270 CO -0.08 -0.62 0.59 0.00 0.04 0.00 0.00 177.00 176.93 1sov s SER 272 N -2.95 6.73 0.16 0.00 0.15 0.09 -1.23 113.70 116.64 1sov s SER 272 Ca 0.15 1.12 0.07 0.00 0.70 0.00 0.00 55.95 57.99 1sov s SER 272 Cb -0.03 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1sov s SER 272 CO 0.06 -1.05 -0.14 0.68 1.20 0.00 0.00 173.24 173.99 1sov s VAL 273 N 4.22 1.50 0.09 4.45 -7.23 -0.89 -1.08 120.40 121.46 1sov s VAL 273 Ca 0.53 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 1sov s VAL 273 Cb -0.15 -1.78 -0.06 0.00 0.56 0.00 0.00 36.38 34.94 1sov s VAL 273 CO 0.22 -0.51 1.20 -0.47 -0.31 0.00 0.00 175.10 175.23 1sov s TYR 274 N -2.57 3.43 -0.11 2.82 5.04 -1.26 -2.28 117.35 122.42 1sov s TYR 274 Ca 0.15 1.32 -0.03 0.00 -2.44 0.00 0.00 57.07 56.08 1sov s TYR 274 Cb -0.03 -3.43 -0.03 0.00 0.35 0.00 0.00 41.96 38.82 1sov s TYR 274 CO 0.04 -1.29 -0.01 0.00 -1.34 0.00 0.00 175.55 172.95 1sov n GLN 276 N 2.70 1.28 0.00 0.00 6.02 -1.23 -1.67 117.38 124.48 1sov n GLN 276 Ca -0.18 -3.58 0.00 0.00 -0.01 0.00 0.00 57.00 53.23 1sov n GLN 276 Cb 0.53 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1sov n GLN 276 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sov n GLY 277 N 0.29 0.77 3.74 1.08 0.00 0.11 -5.00 105.19 106.17 1sov n GLY 277 Ca 0.26 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1sov n GLY 277 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sov n GLU 278 N 0.00 2.67 -1.66 1.61 4.71 -1.25 -0.73 120.64 125.98 1sov n GLU 278 Ca 0.00 0.95 -0.19 0.00 -0.01 0.00 0.00 57.16 57.91 1sov n GLU 278 Cb 0.00 -2.73 -0.07 0.00 -1.01 0.00 0.00 31.44 27.63 1sov n GLU 278 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1sov n TYR 279 N 2.32 -0.25 -1.26 -0.32 4.01 -1.26 -1.03 117.16 119.36 1sov n TYR 279 Ca 0.10 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.74 1sov n TYR 279 Cb 0.36 -3.28 -0.04 0.00 -0.31 0.00 0.00 39.34 36.07 1sov n TYR 279 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sov n GLY 280 N -0.43 1.05 3.85 2.72 0.00 0.09 -5.01 105.19 107.46 1sov n GLY 280 Ca -0.19 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1sov n GLY 280 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sov s LEU 281 N -2.05 4.17 0.01 0.99 1.43 -0.20 -4.90 118.68 118.13 1sov s LEU 281 Ca 0.00 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1sov s LEU 281 Cb 0.00 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1sov s LEU 281 CO 0.00 0.30 -0.04 -1.00 0.23 0.00 0.00 176.35 175.84 1sov s HIS 282 N -1.20 0.32 -1.42 0.29 3.76 -1.26 0.10 115.29 115.88 1sov s HIS 282 Ca 0.23 -0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.86 1sov s HIS 282 Cb -0.12 -0.20 0.04 0.00 1.11 0.00 0.00 32.58 33.41 1sov s HIS 282 CO 0.13 -0.04 0.97 -3.47 -0.85 0.00 0.00 174.74 171.48 1sov n ASP 283 N 2.56 -4.20 -3.48 1.40 4.64 -0.67 -4.98 116.55 111.82 1sov n ASP 283 Ca -0.16 -0.72 -0.12 0.00 -1.38 0.00 0.00 54.79 52.41 1sov n ASP 283 Cb 0.58 -4.28 -0.03 0.00 -1.04 0.00 0.00 41.12 36.35 1sov n ASP 283 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1sov s MET 285 N -6.32 1.21 -0.09 -0.67 0.23 -1.26 -5.01 119.30 107.40 1sov s MET 285 Ca 0.46 -0.48 -0.02 0.00 -1.03 0.00 0.00 55.69 54.62 1sov s MET 285 Cb -0.22 0.55 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 1sov s MET 285 CO 0.80 -0.51 -0.01 -0.06 -2.03 0.00 0.00 175.02 173.21 1sov s PHE 286 N -3.57 3.13 0.03 3.16 0.40 -1.26 -1.11 117.98 118.75 1sov s PHE 286 Ca 0.01 0.16 -0.20 0.00 -0.60 0.00 0.00 56.93 56.29 1sov s PHE 286 Cb -0.00 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.78 1sov s PHE 286 CO -0.11 0.44 0.46 -1.50 0.70 0.00 0.00 175.22 175.21 1sov s ILE 287 N -0.83 0.04 -0.02 0.64 2.07 -0.97 -4.75 121.20 117.39 1sov s ILE 287 Ca 0.13 -0.34 -0.30 0.00 -1.41 0.00 0.00 60.65 58.72 1sov s ILE 287 Cb -0.11 -0.92 -0.07 0.00 0.13 0.00 0.00 42.46 41.48 1sov s ILE 287 CO 0.02 -0.19 1.80 -0.83 -1.91 0.00 0.00 174.94 173.83 1sov s GLY 288 N -1.83 1.49 0.07 1.50 0.00 -1.14 -2.10 107.32 105.31 1sov s GLY 288 Ca -0.07 1.11 -0.05 0.00 0.00 0.00 0.00 44.72 45.71 1sov s GLY 288 CO -0.00 3.24 0.07 1.08 0.00 0.00 0.00 173.10 177.49 1sov s LEU 289 N 4.26 1.99 0.16 0.66 1.43 -0.37 -0.57 118.68 126.24 1sov s LEU 289 Ca 0.80 -0.84 -0.31 0.00 -1.03 0.00 0.00 54.13 52.75 1sov s LEU 289 Cb -0.37 0.59 -0.09 0.00 0.03 0.00 0.00 46.19 46.35 1sov s LEU 289 CO 0.35 -0.66 1.40 -2.84 0.23 0.00 0.00 176.35 174.83 1sov s PRO 290 N -3.89 4.31 0.07 1.29 0.02 -1.26 -1.49 135.00 134.05 1sov s PRO 290 Ca 0.06 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.21 1sov s PRO 290 Cb 0.07 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 1sov s PRO 290 CO -0.10 -0.42 0.01 0.00 -0.33 0.00 0.00 177.00 176.16 1sov s ALA 291 N 0.73 0.52 -0.20 -1.55 0.00 -1.21 -0.97 121.76 119.08 1sov s ALA 291 Ca 0.63 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1sov s ALA 291 Cb -0.38 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1sov s ALA 291 CO 0.34 -0.41 -0.03 0.08 0.00 0.00 0.00 175.76 175.74 1sov s VAL 292 N -3.94 3.60 -0.20 0.00 1.01 -0.31 -0.48 120.40 120.08 1sov s VAL 292 Ca 0.10 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1sov s VAL 292 Cb 0.08 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1sov s VAL 292 CO -0.08 0.44 0.04 -0.63 0.00 0.00 0.00 175.10 174.87 1sov s ILE 293 N 1.12 4.38 0.00 2.22 1.01 0.17 -0.71 121.20 129.39 1sov s ILE 293 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1sov s ILE 293 Cb -0.15 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1sov s ILE 293 CO 0.00 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1sov n GLY 294 N 4.10 4.23 0.00 6.18 0.00 -0.12 -1.51 105.19 118.06 1sov n GLY 294 Ca -0.17 -1.42 0.04 0.00 0.00 0.00 0.00 46.02 44.47 1sov n GLY 294 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sov n GLY 295 N 0.00 -0.76 1.47 -0.02 0.00 -1.23 -0.46 105.19 104.19 1sov n GLY 295 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1sov n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sov n GLY 296 N -0.72 2.70 6.74 -0.02 0.00 -1.26 -5.00 105.19 107.63 1sov n GLY 296 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1sov n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sov n GLY 297 N 1.25 0.45 3.55 -0.02 0.00 0.39 -4.55 105.19 106.26 1sov n GLY 297 Ca 0.25 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1sov n GLY 297 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sov s ILE 298 N 0.00 3.80 -0.13 -0.61 -1.09 0.09 -0.95 121.20 122.32 1sov s ILE 298 Ca 0.00 0.46 0.16 0.00 -2.23 0.00 0.00 60.65 59.04 1sov s ILE 298 Cb 0.00 -4.88 -0.08 0.00 -1.58 0.00 0.00 42.46 35.92 1sov s ILE 298 CO 0.00 -1.75 1.01 -0.33 -1.23 0.00 0.00 174.94 172.63 1sov h GLU 299 N 9.93 0.00 -3.17 2.79 5.08 -1.16 -3.45 114.58 124.60 1sov h GLU 299 Ca -0.28 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1sov h GLU 299 Cb 1.05 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.08 1sov h GLU 299 CO 1.26 0.36 -0.38 -0.65 -1.00 0.00 0.00 179.01 178.60 1sov s GLN 301 N -2.93 0.47 -0.19 2.33 -0.21 -1.19 -4.96 119.66 112.97 1sov s GLN 301 Ca -0.01 0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.40 1sov s GLN 301 Cb 0.08 0.21 0.03 0.00 1.00 0.00 0.00 33.01 34.33 1sov s GLN 301 CO 0.79 -0.10 -0.16 0.08 -2.12 0.00 0.00 175.29 173.78 1sov s VAL 302 N -0.68 1.92 -0.19 1.09 1.01 -1.26 -1.17 120.40 121.12 1sov s VAL 302 Ca -0.08 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 1sov s VAL 302 Cb -0.04 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1sov s VAL 302 CO 0.02 0.39 0.73 -0.63 0.00 0.00 0.00 175.10 175.61 1sov s ILE 303 N 1.32 4.95 -0.47 2.22 1.01 -0.15 -5.01 121.20 125.07 1sov s ILE 303 Ca 0.02 1.40 -0.15 0.00 0.00 0.00 0.00 60.65 61.92 1sov s ILE 303 Cb -0.14 -4.04 0.08 0.00 0.01 0.00 0.00 42.46 38.36 1sov s ILE 303 CO -0.11 0.06 0.38 -0.70 0.00 0.00 0.00 174.94 174.57 1sov s GLU 304 N 2.11 2.92 0.50 2.79 2.12 -1.26 -4.38 118.70 123.50 1sov s GLU 304 Ca 0.33 -1.38 -0.19 0.00 0.36 0.00 0.00 54.97 54.09 1sov s GLU 304 Cb -0.16 -4.09 -0.08 0.00 0.26 0.00 0.00 34.13 30.07 1sov s GLU 304 CO 0.11 -1.02 1.03 -0.51 -0.54 0.00 0.00 175.26 174.32 1sov s LEU 305 N 1.61 3.78 -1.34 2.70 1.43 -1.26 -4.94 118.68 120.66 1sov s LEU 305 Ca 0.04 1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 54.85 1sov s LEU 305 Cb -0.24 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.52 1sov s LEU 305 CO 0.06 -0.79 1.88 -0.62 0.23 0.00 0.00 176.35 177.11 1sov n GLU 306 N -1.15 3.17 -2.09 1.70 1.02 -1.26 -4.97 120.64 117.07 1sov n GLU 306 Ca 0.09 -3.18 -0.41 0.00 -0.02 0.00 0.00 57.16 53.64 1sov n GLU 306 Cb 0.53 -3.27 -0.02 0.00 -0.02 0.00 0.00 31.44 28.65 1sov n GLU 306 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sov s LEU 307 N 2.50 4.41 0.93 -4.62 1.43 -1.26 -5.01 118.68 117.06 1sov s LEU 307 Ca 0.48 2.72 -0.13 0.00 -1.03 0.00 0.00 54.13 56.16 1sov s LEU 307 Cb 0.07 -3.66 0.15 0.00 0.03 0.00 0.00 46.19 42.78 1sov s LEU 307 CO 0.00 -0.57 1.16 0.42 0.23 0.00 0.00 176.35 177.59 1sov s THR 308 N -1.14 1.97 0.22 5.49 -4.23 -1.26 -4.76 115.64 111.93 1sov s THR 308 Ca 0.49 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.92 1sov s THR 308 Cb -0.40 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 70.83 1sov s THR 308 CO 0.54 0.00 1.85 0.45 -0.54 0.00 0.00 174.62 176.92 1sov h HIS 309 N -1.55 0.91 -0.55 3.99 -0.00 -1.99 0.19 115.15 116.15 1sov h HIS 309 Ca -0.49 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 59.83 1sov h HIS 309 Cb 1.32 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.41 1sov h HIS 309 CO -0.06 0.50 0.03 1.49 -0.00 0.00 0.00 177.93 179.89 1sov h GLU 310 N 0.93 0.95 -0.69 2.45 4.81 -2.00 -1.85 114.58 119.18 1sov h GLU 310 Ca 0.32 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1sov h GLU 310 Cb 0.07 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1sov h GLU 310 CO -0.13 0.94 0.18 0.93 -0.73 0.00 0.00 179.01 180.20 1sov h GLU 311 N 0.83 1.09 -0.90 1.92 5.08 -1.79 -2.22 114.58 118.59 1sov h GLU 311 Ca 0.16 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1sov h GLU 311 Cb 0.49 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1sov h GLU 311 CO 0.02 0.96 0.51 1.96 -1.00 0.00 0.00 179.01 181.47 1sov h GLN 312 N 1.02 1.25 -0.70 2.33 4.20 -0.75 0.83 115.11 123.29 1sov h GLN 312 Ca 0.22 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1sov h GLN 312 Cb 0.35 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1sov h GLN 312 CO 0.00 0.89 0.32 1.49 -0.67 0.00 0.00 178.83 180.86 1sov h GLU 313 N 1.26 1.02 -0.47 1.46 4.57 -0.91 0.17 114.58 121.68 1sov h GLU 313 Ca 0.32 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1sov h GLU 313 Cb -0.00 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 1sov h GLU 313 CO -0.05 0.81 -0.00 0.00 -1.18 0.00 0.00 179.01 178.59 1sov h PHE 315 N 0.68 1.22 -0.53 0.00 -0.00 -0.40 -2.42 116.94 115.50 1sov h PHE 315 Ca 0.13 -0.06 0.10 0.00 -0.00 0.00 0.00 57.97 58.15 1sov h PHE 315 Cb 0.51 -0.38 -0.03 0.00 -0.00 0.00 0.00 35.95 36.04 1sov h PHE 315 CO 0.04 0.88 0.36 0.00 -0.00 0.00 0.00 178.31 179.59 1sov h ARG 316 N 1.22 0.27 -0.20 1.11 3.08 -0.52 0.13 114.38 119.46 1sov h ARG 316 Ca 0.29 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.18 1sov h ARG 316 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1sov h ARG 316 CO -0.04 0.18 -0.51 0.87 -1.07 0.00 0.00 179.97 179.40 1sov h LYS 317 N 0.28 0.56 -0.19 0.04 1.57 -1.38 0.20 116.57 117.65 1sov h LYS 317 Ca 0.25 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1sov h LYS 317 Cb 0.60 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1sov h LYS 317 CO -0.05 0.94 -0.04 1.03 -0.57 0.00 0.00 179.45 180.76 1sov h SER 318 N 0.44 0.36 -0.54 0.86 0.87 -0.99 -1.93 113.55 112.63 1sov h SER 318 Ca 0.02 -0.36 0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1sov h SER 318 Cb 1.04 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 1sov h SER 318 CO 0.10 0.63 0.33 0.58 -0.53 0.00 0.00 176.83 177.93 1sov h VAL 319 N 0.08 1.07 -0.74 2.23 2.07 -0.60 -2.30 116.25 118.05 1sov h VAL 319 Ca 0.05 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1sov h VAL 319 Cb 0.47 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1sov h VAL 319 CO 0.02 0.12 0.42 -0.78 0.02 0.00 0.00 177.57 177.37 1sov h ASP 320 N 0.65 0.91 -0.51 0.57 3.58 -0.51 -0.13 116.42 120.98 1sov h ASP 320 Ca 0.21 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1sov h ASP 320 Cb 0.01 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 1sov h ASP 320 CO -0.09 0.72 0.31 0.44 -2.88 0.00 0.00 179.24 177.74 1sov h ASP 321 N 1.03 0.61 -0.16 2.28 3.32 -0.82 -0.71 116.42 121.97 1sov h ASP 321 Ca 0.26 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1sov h ASP 321 Cb 0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1sov h ASP 321 CO -0.05 0.48 0.01 0.58 -1.72 0.00 0.00 179.24 178.54 1sov h VAL 322 N 0.68 1.25 -0.67 -1.35 2.07 -0.91 -2.48 116.25 114.83 1sov h VAL 322 Ca 0.18 -0.81 0.09 0.00 0.82 0.00 0.00 66.70 66.98 1sov h VAL 322 Cb -0.02 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1sov h VAL 322 CO -0.03 0.24 0.32 0.58 0.02 0.00 0.00 177.57 178.70 1sov h VAL 323 N 0.02 0.85 -0.46 2.57 2.07 -0.88 0.41 116.25 120.83 1sov h VAL 323 Ca 0.04 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1sov h VAL 323 Cb 0.36 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1sov h VAL 323 CO 0.01 0.10 0.28 -0.33 0.02 0.00 0.00 177.57 177.65 1sov h GLU 324 N 0.56 0.62 -0.45 1.57 4.39 -1.04 0.81 114.58 121.05 1sov h GLU 324 Ca 0.33 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1sov h GLU 324 Cb 0.34 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1sov h GLU 324 CO -0.26 0.45 0.16 -0.07 -1.16 0.00 0.00 179.01 178.12 1sov h LEU 325 N 0.61 0.64 -1.49 1.33 3.38 -0.89 -2.00 115.31 116.89 1sov h LEU 325 Ca 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1sov h LEU 325 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1sov h LEU 325 CO -0.03 0.66 0.00 0.78 0.09 0.00 0.00 178.44 179.94 1sov h ASN 325 N 0.58 0.30 -0.10 -0.43 2.35 -0.66 0.31 115.58 117.93 1sov h ASN 325 Ca 0.15 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1sov h ASN 325 Cb 0.24 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1sov h ASN 325 CO -0.01 0.35 0.05 0.50 -1.65 0.00 0.00 177.43 176.67 1sov h LYS 326 N 0.32 0.14 -0.57 0.81 3.64 -0.45 -0.59 116.57 119.86 1sov h LYS 326 Ca 0.07 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1sov h LYS 326 Cb 0.22 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1sov h LYS 326 CO 0.00 0.20 0.19 0.77 -2.27 0.00 0.00 179.45 178.34 1sov h SER 327 N 0.04 0.78 -0.48 4.20 0.02 -0.61 -2.12 113.55 115.38 1sov h SER 327 Ca 0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1sov h SER 327 Cb 0.10 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1sov h SER 327 CO -0.00 0.73 0.26 0.25 -1.14 0.00 0.00 176.83 176.92 1sov h LEU 328 N 0.83 0.61 -1.07 5.07 5.85 -0.03 -2.50 115.31 124.07 1sov h LEU 328 Ca 0.19 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1sov h LEU 328 Cb 0.22 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1sov h LEU 328 CO -0.01 0.53 0.18 0.00 -0.34 0.00 0.00 178.44 178.80 1sov h ALA 329 N 1.10 1.25 0.00 1.25 0.00 -0.82 -1.77 119.26 120.28 1sov h ALA 329 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sov h ALA 329 Cb 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sov h ALA 329 CO -0.03 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1sov n ALA 330 N -2.46 1.93 1.12 0.00 0.00 -0.82 -5.12 120.51 115.17 1sov n ALA 330 Ca 0.04 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1sov n ALA 330 Cb 0.20 -1.14 0.21 0.00 0.00 0.00 0.00 19.45 18.71 1sov n ALA 330 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78