#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sov h THR 16 N 0.00 1.02 0.00 2.61 1.35 -2.07 -3.37 112.91 112.44 1sov h THR 16 Ca 0.00 -0.10 -0.10 0.00 -0.55 0.00 0.00 66.41 65.66 1sov h THR 16 Cb 0.00 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.44 1sov h THR 16 CO 0.00 0.03 -1.07 0.52 -0.25 0.00 0.00 175.52 174.75 1sov n VAL 17 N -4.51 1.20 -3.69 6.82 0.31 -1.26 -4.94 118.33 112.26 1sov n VAL 17 Ca -0.03 0.08 -0.39 0.00 -0.01 0.00 0.00 64.34 63.99 1sov n VAL 17 Cb 0.11 -1.91 -0.12 0.00 -0.91 0.00 0.00 33.84 31.01 1sov n VAL 17 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1sov s SER 18 N -6.13 5.47 0.18 4.52 0.15 -1.26 -5.08 113.70 111.55 1sov s SER 18 Ca -0.19 -1.15 0.01 0.00 0.70 0.00 0.00 55.95 55.32 1sov s SER 18 Cb 0.05 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 1sov s SER 18 CO 0.26 -0.37 0.34 0.00 1.20 0.00 0.00 173.24 174.67 1sov s ARG 19 N 1.44 3.48 0.61 5.44 1.70 -1.26 -4.85 118.95 125.51 1sov s ARG 19 Ca -0.00 -0.47 -0.16 0.00 -0.47 0.00 0.00 55.73 54.63 1sov s ARG 19 Cb -0.20 -2.89 -0.03 0.00 -0.57 0.00 0.00 34.95 31.26 1sov s ARG 19 CO 0.04 0.45 1.07 1.03 -1.08 0.00 0.00 175.30 176.81 1sov s ARG 20 N -3.32 3.19 0.87 3.89 0.52 -1.26 -5.02 118.95 117.82 1sov s ARG 20 Ca 0.37 1.26 -0.11 0.00 -0.52 0.00 0.00 55.73 56.73 1sov s ARG 20 Cb -0.11 -2.01 0.12 0.00 0.52 0.00 0.00 34.95 33.47 1sov s ARG 20 CO 0.29 -0.92 1.09 0.15 0.02 0.00 0.00 175.30 175.93 1sov s LYS 21 N -4.05 1.43 -0.02 3.54 -0.14 -1.26 -4.82 119.74 114.42 1sov s LYS 21 Ca 0.65 1.03 0.00 0.00 -1.36 0.00 0.00 55.97 56.29 1sov s LYS 21 Cb -0.17 -1.81 0.02 0.00 -1.68 0.00 0.00 37.83 34.18 1sov s LYS 21 CO 0.38 -2.18 0.00 0.21 -0.76 0.00 0.00 175.35 173.00 1sov s LYS 22 N -4.86 0.16 -0.11 1.68 2.20 -1.26 -0.92 119.74 116.63 1sov s LYS 22 Ca 0.63 0.06 0.01 0.00 -0.36 0.00 0.00 55.97 56.32 1sov s LYS 22 Cb -0.19 -0.31 0.02 0.00 -1.51 0.00 0.00 37.83 35.84 1sov s LYS 22 CO 0.57 -0.09 -0.15 0.42 -0.36 0.00 0.00 175.35 175.75 1sov s ILE 23 N 0.69 1.47 -0.22 5.43 1.01 -0.30 -0.48 121.20 128.80 1sov s ILE 23 Ca -0.06 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1sov s ILE 23 Cb -0.09 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1sov s ILE 23 CO -0.01 0.44 0.17 0.00 0.00 0.00 0.00 174.94 175.53 1sov s ALA 24 N 1.06 3.63 -0.52 9.38 0.00 -0.46 -1.73 121.76 133.13 1sov s ALA 24 Ca -0.05 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1sov s ALA 24 Cb -0.15 -2.29 0.10 0.00 0.00 0.00 0.00 23.12 20.78 1sov s ALA 24 CO -0.03 -0.07 0.52 -1.64 0.00 0.00 0.00 175.76 174.54 1sov s MET 25 N 0.82 3.01 -0.79 0.00 1.00 0.49 -0.89 119.30 122.94 1sov s MET 25 Ca 0.08 -1.42 -0.23 0.00 0.00 0.00 0.00 55.69 54.12 1sov s MET 25 Cb -0.13 -4.21 0.07 0.00 0.00 0.00 0.00 34.83 30.56 1sov s MET 25 CO 0.02 -1.25 1.14 0.42 0.00 0.00 0.00 175.02 175.35 1sov s ILE 26 N 1.92 4.22 0.00 2.53 -1.09 -0.20 -1.23 121.20 127.36 1sov s ILE 26 Ca 0.06 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 1sov s ILE 26 Cb -0.26 -4.81 0.00 0.00 -1.58 0.00 0.00 42.46 35.81 1sov s ILE 26 CO 0.06 -1.63 0.00 0.61 -1.23 0.00 0.00 174.94 172.75 1sov n GLY 27 N 5.62 3.01 2.05 6.18 0.00 0.52 -0.94 105.19 121.62 1sov n GLY 27 Ca 0.09 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 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 5.69 -2.91 1.61 7.64 -1.10 -4.20 113.62 120.35 1sov n SER 28 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 1sov n SER 28 Cb 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 -0.83 -0.39 0.21 0.23 0.00 -1.26 -4.37 105.19 98.77 1sov n GLY 29 Ca 0.50 -1.62 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 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 0.44 -0.07 1.61 2.86 -1.99 -0.00 114.93 117.78 1sov h MET 30 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1sov h MET 30 Cb 0.00 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1sov h MET 30 CO 0.00 0.29 0.00 0.82 1.06 0.00 0.00 176.91 179.08 1sov h ILE 31 N 0.45 1.24 -0.26 -1.22 2.04 -1.91 -2.19 117.51 115.66 1sov h ILE 31 Ca 0.24 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1sov h ILE 31 Cb 0.21 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1sov h ILE 31 CO -0.20 0.20 0.04 1.23 0.00 0.00 0.00 178.15 179.42 1sov h GLY 32 N -0.15 0.29 1.73 5.37 0.00 -1.64 0.15 103.07 108.81 1sov h GLY 32 Ca 0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1sov h GLY 32 CO 0.00 -0.02 -0.05 -1.33 0.00 0.00 0.00 176.54 175.15 1sov h GLY 33 N 0.13 0.37 1.64 4.60 0.00 -1.02 -1.92 103.07 106.88 1sov h GLY 33 Ca 0.12 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.05 1sov h GLY 33 CO -0.17 0.19 -0.82 -0.84 0.00 0.00 0.00 176.54 174.90 1sov h THR 35 N 0.33 1.42 -0.39 4.70 2.02 -0.78 -1.39 112.91 118.82 1sov h THR 35 Ca 0.07 -2.34 -0.09 0.00 0.77 0.00 0.00 66.41 64.82 1sov h THR 35 Cb 0.30 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 1sov h THR 35 CO 0.01 0.70 -0.14 0.24 0.37 0.00 0.00 175.52 176.70 1sov h MET 36 N 0.21 0.70 -0.65 6.66 2.86 -0.71 -0.74 114.93 123.27 1sov h MET 36 Ca -0.05 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1sov h MET 36 Cb 1.42 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 1sov h MET 36 CO 0.14 0.81 0.34 0.78 1.06 0.00 0.00 176.91 180.04 1sov h GLY 37 N 0.97 0.98 0.90 8.32 0.00 -1.14 -1.80 103.07 111.31 1sov h GLY 37 Ca 0.11 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1sov h GLY 37 CO 0.04 0.44 0.43 -1.82 0.00 0.00 0.00 176.54 175.63 1sov h TYR 38 N 0.89 0.81 -0.79 5.60 3.20 -0.62 -1.93 116.97 124.13 1sov h TYR 38 Ca 0.23 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1sov h TYR 38 Cb 0.07 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 1sov h TYR 38 CO -0.00 0.47 0.43 -0.07 -1.64 0.00 0.00 178.16 177.35 1sov h LEU 39 N 0.85 0.97 -0.98 2.82 3.38 -0.69 -0.37 115.31 121.30 1sov h LEU 39 Ca 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1sov h LEU 39 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1sov h LEU 39 CO -0.09 0.78 0.23 0.00 0.09 0.00 0.00 178.44 179.44 1sov h VAL 41 N 0.95 1.26 -0.86 0.00 2.07 -0.62 0.16 116.25 119.20 1sov h VAL 41 Ca 0.22 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1sov h VAL 41 Cb 0.23 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1sov h VAL 41 CO -0.01 0.21 0.56 -0.07 0.02 0.00 0.00 177.57 178.27 1sov h LEU 42 N -0.23 0.94 -1.15 2.57 3.38 -0.85 -2.71 115.31 117.26 1sov h LEU 42 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sov h LEU 42 Cb 0.34 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sov h LEU 42 CO 0.00 0.65 -0.14 0.54 0.09 0.00 0.00 178.44 179.59 1sov n ARG 43 N -4.53 1.60 -3.97 1.13 1.74 -0.50 -4.94 116.66 107.19 1sov n ARG 43 Ca 0.10 -1.15 -0.29 0.00 -0.77 0.00 0.00 57.85 55.74 1sov n ARG 43 Cb 0.07 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 0.30 -4.36 0.03 5.56 2.13 0.39 -4.88 120.64 119.81 1sov n GLU 44 Ca 0.14 0.50 -0.15 0.00 0.66 0.00 0.00 57.16 58.32 1sov n GLU 44 Cb 0.44 -5.14 -0.04 0.00 0.27 0.00 0.00 31.44 26.98 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 -1.85 0.71 -7.08 4.31 5.85 -1.34 -3.49 115.31 112.42 1sov h LEU 45 Ca -0.60 -0.50 0.28 0.00 0.84 0.00 0.00 57.88 57.89 1sov h LEU 45 Cb 1.38 -0.21 -0.17 0.00 0.37 0.00 0.00 40.66 42.03 1sov h LEU 45 CO 0.67 1.28 0.81 0.00 -0.34 0.00 0.00 178.44 180.87 1sov s ALA 46 N -3.54 -2.12 0.59 1.25 0.00 -1.26 -4.56 121.76 112.13 1sov s ALA 46 Ca -0.08 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 1sov s ALA 46 Cb 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1sov s ALA 46 CO 0.88 -0.74 1.09 -0.51 0.00 0.00 0.00 175.76 176.47 1sov s ASP 47 N -2.44 5.60 -0.02 0.00 1.01 -0.10 -4.69 116.67 116.03 1sov s ASP 47 Ca 0.11 1.97 0.05 0.00 0.71 0.00 0.00 52.55 55.38 1sov s ASP 47 Cb 0.01 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1sov s ASP 47 CO -0.04 -1.29 -0.16 -0.69 0.21 0.00 0.00 175.17 173.20 1sov s VAL 49 N -2.21 1.26 -0.21 -1.27 1.01 0.71 -1.14 120.40 118.55 1sov s VAL 49 Ca 0.67 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1sov s VAL 49 Cb -0.19 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1sov s VAL 49 CO 0.34 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.96 1sov s VAL 50 N -0.23 2.35 -0.60 2.92 1.01 -0.71 -1.70 120.40 123.45 1sov s VAL 50 Ca 0.03 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 1sov s VAL 50 Cb -0.08 -2.08 0.11 0.00 0.00 0.00 0.00 36.38 34.33 1sov s VAL 50 CO 0.00 0.40 0.70 -0.76 0.00 0.00 0.00 175.10 175.45 1sov s LEU 51 N 1.29 5.44 -0.07 3.92 1.43 0.84 -0.38 118.68 131.15 1sov s LEU 51 Ca 0.03 -1.48 -0.10 0.00 -1.03 0.00 0.00 54.13 51.55 1sov s LEU 51 Cb -0.15 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 1sov s LEU 51 CO -0.10 -1.10 0.26 0.12 0.23 0.00 0.00 176.35 175.76 1sov s PHE 52 N 2.61 3.66 -0.13 0.29 5.36 -0.37 -1.02 117.98 128.38 1sov s PHE 52 Ca 0.11 0.73 -0.30 0.00 -0.96 0.00 0.00 56.93 56.52 1sov s PHE 52 Cb -0.24 -2.09 0.11 0.00 -0.34 0.00 0.00 43.02 40.46 1sov s PHE 52 CO 0.06 0.70 0.91 0.34 -1.46 0.00 0.00 175.22 175.77 1sov s ASP 53 N -1.05 -0.45 0.29 6.13 -1.08 -0.58 -0.35 116.67 119.57 1sov s ASP 53 Ca 0.19 0.50 0.11 0.00 -0.52 0.00 0.00 52.55 52.83 1sov s ASP 53 Cb -0.14 0.38 0.41 0.00 -1.46 0.00 0.00 42.92 42.11 1sov s ASP 53 CO 0.08 -0.41 1.64 -0.37 0.52 0.00 0.00 175.17 176.63 1sov h VAL 54 N 2.70 1.41 -3.20 1.11 -1.51 -1.89 -3.36 116.25 111.51 1sov h VAL 54 Ca -0.21 -2.00 -0.53 0.00 -1.23 0.00 0.00 66.70 62.73 1sov h VAL 54 Cb 1.16 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1sov h VAL 54 CO 0.33 0.57 0.56 -0.69 -1.23 0.00 0.00 177.57 177.10 1sov s VAL 55 N -3.68 4.04 0.21 7.19 1.01 -1.26 -5.01 120.40 122.88 1sov s VAL 55 Ca -0.01 1.47 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1sov s VAL 55 Cb 0.13 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1sov s VAL 55 CO 0.76 0.12 0.33 0.42 0.00 0.00 0.00 175.10 176.73 1sov s THR 56 N 1.03 5.28 0.00 3.92 -4.23 -1.26 -4.49 115.64 115.89 1sov s THR 56 Ca 0.58 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1sov s THR 56 Cb -0.29 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.73 1sov s THR 56 CO 0.29 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1sov n GLY 57 N -1.08 1.94 0.26 3.99 0.00 -1.26 -4.75 105.19 104.29 1sov n GLY 57 Ca -0.08 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.38 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 0.42 -0.82 1.61 1.85 -2.00 -1.46 114.93 114.53 1sov h MET 58 Ca 0.00 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 1sov h MET 58 Cb 0.00 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 31.90 1sov h MET 58 CO 0.00 0.28 0.46 -1.35 -0.40 0.00 0.00 176.91 175.89 1sov h PRO 59 N 0.43 1.13 -0.43 0.39 0.11 -1.85 -1.22 132.00 130.55 1sov h PRO 59 Ca 0.37 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 1sov h PRO 59 Cb 0.52 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1sov h PRO 59 CO -0.37 0.82 0.02 1.49 -0.21 0.00 0.00 178.00 179.75 1sov h GLU 60 N 1.14 0.69 -0.39 1.05 4.81 -1.63 0.54 114.58 120.79 1sov h GLU 60 Ca 0.29 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1sov h GLU 60 Cb 0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1sov h GLU 60 CO -0.05 0.69 0.07 0.78 -0.73 0.00 0.00 179.01 179.77 1sov h GLY 61 N 0.92 0.69 1.57 1.92 0.00 -0.48 -1.56 103.07 106.14 1sov h GLY 61 Ca 0.14 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1sov h GLY 61 CO 0.01 0.42 -0.29 0.50 0.00 0.00 0.00 176.54 177.19 1sov h LYS 62 N 0.49 0.49 -0.68 4.80 1.57 -0.94 -2.19 116.57 120.11 1sov h LYS 62 Ca 0.12 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1sov h LYS 62 Cb 0.36 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1sov h LYS 62 CO 0.01 0.73 0.16 0.00 -0.57 0.00 0.00 179.45 179.77 1sov h ALA 63 N 1.27 0.90 -0.46 3.86 0.00 -0.69 0.85 119.26 125.00 1sov h ALA 63 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1sov h ALA 63 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1sov h ALA 63 CO 0.06 0.63 0.18 -0.07 0.00 0.00 0.00 179.25 180.04 1sov h LEU 64 N 1.03 0.64 0.08 0.00 3.38 -1.06 0.88 115.31 120.26 1sov h LEU 64 Ca 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sov h LEU 64 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sov h LEU 64 CO 0.00 0.64 -0.04 -0.78 0.09 0.00 0.00 178.44 178.36 1sov h ASP 65 N 0.60 -0.09 -0.72 -0.43 3.58 -1.16 -0.63 116.42 117.56 1sov h ASP 65 Ca 0.15 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1sov h ASP 65 Cb 0.21 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 1sov h ASP 65 CO -0.01 0.13 0.34 0.44 -2.88 0.00 0.00 179.24 177.27 1sov h ASP 66 N -0.32 0.95 -0.26 2.28 3.32 -0.80 -2.29 116.42 119.29 1sov h ASP 66 Ca -0.01 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 1sov h ASP 66 Cb 0.27 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1sov h ASP 66 CO 0.02 0.82 -0.06 0.77 -1.72 0.00 0.00 179.24 179.06 1sov h SER 67 N 1.01 0.61 0.48 6.45 4.64 -0.67 -2.31 113.55 123.76 1sov h SER 67 Ca 0.25 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1sov h SER 67 Cb 0.12 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1sov h SER 67 CO -0.03 0.72 -0.26 1.56 -0.87 0.00 0.00 176.83 177.96 1sov h GLN 68 N 0.59 0.00 0.00 4.77 4.20 -0.77 -1.89 115.11 122.00 1sov h GLN 68 Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1sov h GLN 68 Cb 0.47 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1sov h GLN 68 CO 0.02 0.26 -0.09 0.00 -0.67 0.00 0.00 178.83 178.35 1sov h ALA 69 N 1.74 1.11 -0.64 3.87 0.00 -0.85 -2.77 119.26 121.72 1sov h ALA 69 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sov h ALA 69 Cb 0.56 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1sov h ALA 69 CO 0.03 0.11 0.42 1.79 0.00 0.00 0.00 179.25 181.60 1sov h THR 70 N 0.00 1.09 -0.32 0.00 1.35 -1.35 -1.64 112.91 112.04 1sov h THR 70 Ca -0.00 -0.26 0.01 0.00 -0.55 0.00 0.00 66.41 65.60 1sov h THR 70 Cb 0.41 0.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 1sov h THR 70 CO 0.01 0.14 0.20 0.28 -0.25 0.00 0.00 175.52 175.90 1sov h SER 71 N 0.76 0.34 0.35 5.36 0.02 -1.65 0.11 113.55 118.85 1sov h SER 71 Ca 0.25 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.06 1sov h SER 71 Cb 0.07 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1sov h SER 71 CO -0.07 0.25 -0.58 0.40 -1.14 0.00 0.00 176.83 175.68 1sov h ILE 72 N 0.41 1.38 0.00 3.27 2.04 -1.57 -2.60 117.51 120.44 1sov h ILE 72 Ca 0.12 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1sov h ILE 72 Cb -0.03 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1sov h ILE 72 CO -0.04 0.57 0.00 0.00 0.00 0.00 0.00 178.15 178.69 1sov n ALA 73 N -2.47 2.27 -2.85 1.87 0.00 -0.66 -4.91 120.51 113.76 1sov n ALA 73 Ca -0.02 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 1sov n ALA 73 Cb 0.60 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.68 -5.88 -4.82 0.00 8.00 0.28 -5.01 116.55 107.45 1sov n ASP 73 Ca 0.06 -0.22 -0.25 0.00 0.71 0.00 0.00 54.79 55.10 1sov n ASP 73 Cb 0.35 -4.74 -0.04 0.00 -0.02 0.00 0.00 41.12 36.66 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 -3.12 2.11 -0.31 -3.53 -4.23 -0.51 -5.03 115.64 101.02 1sov s THR 74 Ca 0.23 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1sov s THR 74 Cb -0.10 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 71.17 1sov s THR 74 CO 0.28 0.00 0.20 0.21 -0.54 0.00 0.00 174.62 174.77 1sov s ASN 75 N -4.06 2.80 0.09 3.99 2.47 -1.26 -4.51 114.94 114.45 1sov s ASN 75 Ca 0.38 -1.35 0.02 0.00 0.42 0.00 0.00 52.86 52.33 1sov s ASN 75 Cb 0.00 -0.08 -0.04 0.00 -1.45 0.00 0.00 41.25 39.69 1sov s ASN 75 CO 0.22 -0.39 -0.06 0.68 -3.72 0.00 0.00 177.10 173.83 1sov s VAL 76 N 1.92 0.65 -0.14 -5.21 -7.23 -1.26 -5.01 120.40 104.12 1sov s VAL 76 Ca 0.11 -1.85 -0.13 0.00 -1.81 0.00 0.00 61.98 58.31 1sov s VAL 76 Cb -0.17 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1sov s VAL 76 CO -0.26 -0.83 0.26 -0.55 -0.31 0.00 0.00 175.10 173.41 1sov s SER 77 N -2.90 6.44 -0.17 4.85 0.15 -1.26 -4.98 113.70 115.83 1sov s SER 77 Ca 0.09 0.52 0.01 0.00 0.70 0.00 0.00 55.95 57.27 1sov s SER 77 Cb 0.04 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1sov s SER 77 CO -0.05 0.17 -0.13 -0.69 1.20 0.00 0.00 173.24 173.75 1sov s VAL 78 N 0.09 1.61 0.25 4.45 1.01 -1.26 -0.21 120.40 126.34 1sov s VAL 78 Ca 0.16 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1sov s VAL 78 Cb -0.13 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1sov s VAL 78 CO 0.04 0.34 0.04 0.42 0.00 0.00 0.00 175.10 175.94 1sov s THR 79 N 1.44 0.82 0.35 3.92 -4.23 -0.69 -4.73 115.64 112.54 1sov s THR 79 Ca 0.02 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 1sov s THR 79 Cb -0.14 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 1sov s THR 79 CO -0.10 -0.18 0.06 -0.94 -0.54 0.00 0.00 174.62 172.92 1sov s SER 80 N -3.31 4.28 0.06 3.99 1.04 -1.26 -0.11 113.70 118.38 1sov s SER 80 Ca 0.32 -0.99 -0.26 0.00 0.48 0.00 0.00 55.95 55.50 1sov s SER 80 Cb 0.07 -0.55 0.08 0.00 0.10 0.00 0.00 66.02 65.72 1sov s SER 80 CO 0.11 -0.30 0.73 0.00 0.98 0.00 0.00 173.24 174.75 1sov s ALA 81 N -2.52 -1.72 -0.01 5.32 0.00 -0.19 -4.83 121.76 117.82 1sov s ALA 81 Ca 0.36 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1sov s ALA 81 Cb 0.01 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1sov s ALA 81 CO 0.20 -0.65 0.73 0.27 0.00 0.00 0.00 175.76 176.31 1sov n ASN 83 N -0.06 0.59 -4.19 0.00 6.94 -1.26 -1.53 115.26 115.74 1sov n ASN 83 Ca -0.14 -1.50 -0.30 0.00 -0.02 0.00 0.00 54.58 52.61 1sov n ASN 83 Cb 0.62 -0.06 -0.17 0.00 -2.36 0.00 0.00 39.78 37.82 1sov n ASN 83 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1sov s GLN 84 N -0.40 2.59 0.58 -3.83 -0.21 -1.26 -4.85 119.66 112.28 1sov s GLN 84 Ca 0.02 -0.79 0.31 0.00 0.02 0.00 0.00 55.36 54.92 1sov s GLN 84 Cb 0.02 -2.05 1.78 0.00 1.00 0.00 0.00 33.01 33.76 1sov s GLN 84 CO 0.00 0.22 2.21 1.88 -2.12 0.00 0.00 175.29 177.48 1sov h TYR 85 N 6.53 0.00 -0.47 0.91 0.05 -1.96 -1.67 116.97 120.35 1sov h TYR 85 Ca -0.25 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.66 1sov h TYR 85 Cb 1.21 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.93 1sov h TYR 85 CO 0.46 0.04 0.36 0.93 -1.05 0.00 0.00 178.16 178.90 1sov h GLU 86 N 0.00 0.00 0.00 4.88 5.08 -1.95 0.13 114.58 122.72 1sov h GLU 86 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sov h GLU 86 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1sov h GLU 86 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1sov n LYS 87 N -4.27 0.06 -0.13 2.33 4.76 -0.63 -2.63 118.16 117.65 1sov n LYS 87 Ca 0.08 0.21 0.11 0.00 -2.87 0.00 0.00 58.31 55.84 1sov n LYS 87 Cb 0.57 -1.59 0.27 0.00 -1.84 0.00 0.00 35.03 32.44 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 -1.70 0.34 -1.78 -0.18 -5.35 0.03 -4.93 119.36 105.80 1sov n ILE 88 Ca 0.04 -0.56 -0.40 0.00 -0.27 0.00 0.00 62.75 61.56 1sov n ILE 88 Cb 0.25 0.76 0.01 0.00 -1.74 0.00 0.00 39.64 38.93 1sov n ILE 88 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sov s ALA 89 N -1.66 3.37 0.00 -1.28 0.00 -1.08 -2.02 121.76 119.09 1sov s ALA 89 Ca 0.35 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1sov s ALA 89 Cb 0.20 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1sov s ALA 89 CO 0.29 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1sov n GLY 90 N 0.52 1.11 3.74 0.00 0.00 -1.25 -5.02 105.19 104.29 1sov n GLY 90 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.08 6.80 0.03 1.61 0.01 -0.86 -4.69 113.70 113.52 1sov s SER 91 Ca 0.00 2.49 0.02 0.00 1.31 0.00 0.00 55.95 59.77 1sov s SER 91 Cb 0.00 -2.61 -0.25 0.00 0.21 0.00 0.00 66.02 63.37 1sov s SER 91 CO 0.00 -0.61 0.96 0.44 0.41 0.00 0.00 173.24 174.44 1sov h ASP 92 N 5.42 0.23 -4.27 2.44 3.32 -1.13 -3.38 116.42 119.05 1sov h ASP 92 Ca -0.45 -0.31 -0.27 0.00 0.02 0.00 0.00 57.03 56.02 1sov h ASP 92 Cb 1.21 -0.07 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 1sov h ASP 92 CO 0.79 1.25 -0.74 -0.69 -1.72 0.00 0.00 179.24 178.13 1sov s VAL 93 N -2.64 0.35 -0.09 -1.35 1.01 -1.08 -0.83 120.40 115.76 1sov s VAL 93 Ca -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1sov s VAL 93 Cb 0.08 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.11 1sov s VAL 93 CO 0.84 -0.13 -0.16 -0.69 0.00 0.00 0.00 175.10 174.96 1sov s VAL 94 N -0.65 1.48 -0.22 2.92 1.01 -0.13 -1.35 120.40 123.46 1sov s VAL 94 Ca -0.04 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1sov s VAL 94 Cb -0.05 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 35.03 1sov s VAL 94 CO -0.00 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 1sov s ILE 95 N 0.76 2.31 -0.33 2.22 1.01 -0.07 -0.91 121.20 126.20 1sov s ILE 95 Ca -0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 1sov s ILE 95 Cb -0.16 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1sov s ILE 95 CO 0.02 0.30 0.20 -0.63 0.00 0.00 0.00 174.94 174.83 1sov s ILE 96 N 1.25 5.01 -0.19 2.92 1.01 -0.12 -1.03 121.20 130.04 1sov s ILE 96 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1sov s ILE 96 Cb -0.16 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.76 1sov s ILE 96 CO -0.09 0.03 0.55 0.35 0.00 0.00 0.00 174.94 175.78 1sov n THR 97 N 5.05 0.00 -1.70 2.92 -2.24 -0.12 0.00 114.28 118.20 1sov n THR 97 Ca -0.13 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.77 1sov n THR 97 Cb 0.49 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.81 1sov n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sov n ALA 98 N 0.08 1.01 0.00 6.98 0.00 -0.69 -4.68 120.51 123.21 1sov n ALA 98 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1sov n ALA 98 Cb 0.04 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1sov n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sov n GLY 99 N 0.97 4.07 3.76 0.00 0.00 -1.26 -4.64 105.19 108.10 1sov n GLY 99 Ca 0.13 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 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 3.86 -0.00 0.99 1.43 -1.26 -4.94 118.68 118.77 1sov s LEU 100 Ca 0.00 2.38 0.14 0.00 -1.03 0.00 0.00 54.13 55.62 1sov s LEU 100 Cb 0.00 -4.38 -0.15 0.00 0.03 0.00 0.00 46.19 41.68 1sov s LEU 100 CO 0.00 -1.23 0.59 0.35 0.23 0.00 0.00 176.35 176.30 1sov n THR 101 N -0.96 0.00 -3.70 5.49 -2.24 -1.26 -4.82 114.28 106.80 1sov n THR 101 Ca 0.10 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1sov n THR 101 Cb 0.48 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.33 0.74 0.17 -0.78 1.02 -1.26 -5.03 119.74 112.27 1sov s LYS 102 Ca 0.05 0.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.79 1sov s LYS 102 Cb 0.11 0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 37.67 1sov s LYS 102 CO 0.58 -0.20 1.38 0.08 -0.92 0.00 0.00 175.35 176.27 1sov s VAL 103 N -1.04 3.13 -0.57 3.17 1.01 -1.26 -5.07 120.40 119.77 1sov s VAL 103 Ca -0.11 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1sov s VAL 103 Cb -0.04 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1sov s VAL 103 CO 0.05 0.10 0.00 -2.65 0.00 0.00 0.00 175.10 172.60 1sov n PRO 103 N 3.22 0.00 0.00 2.72 -0.02 -1.26 -5.18 135.00 134.48 1sov n PRO 103 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1sov n PRO 103 Cb 0.42 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 1sov n PRO 103 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sov n SER 108 N 0.09 0.00 -0.07 2.55 2.88 -1.26 -5.28 113.62 112.53 1sov n SER 108 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1sov n SER 108 Cb 0.00 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.09 0.41 -0.82 -1.46 -0.00 -1.99 0.11 114.38 110.73 1sov h ARG 109 Ca 0.00 -0.02 0.17 0.00 -0.50 0.00 0.00 59.98 59.62 1sov h ARG 109 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 29.97 29.82 1sov h ARG 109 CO 0.00 0.27 0.54 -0.91 0.00 0.00 0.00 179.97 179.88 1sov h ASN 110 N 0.42 0.41 1.13 7.04 2.35 -1.98 -0.22 115.58 124.73 1sov h ASN 110 Ca 0.26 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1sov h ASN 110 Cb 0.46 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1sov h ASN 110 CO -0.07 0.19 0.00 0.44 -1.65 0.00 0.00 177.43 176.34 1sov h ASP 111 N 0.42 0.00 0.94 5.81 3.32 -1.21 -2.84 116.42 122.86 1sov h ASP 111 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1sov h ASP 111 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1sov h ASP 111 CO -0.14 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.31 1sov h LEU 112 N 0.00 0.00 -0.61 1.55 3.38 -1.08 -3.37 115.31 115.18 1sov h LEU 112 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1sov h LEU 112 Cb 0.56 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1sov h LEU 112 CO 0.00 0.00 -0.36 -0.11 0.09 0.00 0.00 178.44 178.06 1sov n LEU 113 N -2.70 -0.65 0.04 1.67 7.94 -1.08 -0.98 117.00 121.24 1sov n LEU 113 Ca 0.01 1.19 -0.13 0.00 -1.11 0.00 0.00 56.01 55.98 1sov n LEU 113 Cb 0.28 -0.19 -0.06 0.00 0.53 0.00 0.00 43.42 43.98 1sov n LEU 113 CO 0.24 -0.94 0.59 -0.65 -1.11 0.00 0.00 177.39 175.52 1sov h PRO 114 N 0.00 -0.52 -0.38 1.96 0.11 -1.86 0.55 132.00 131.85 1sov h PRO 114 Ca 0.10 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1sov h PRO 114 Cb 0.25 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1sov h PRO 114 CO -0.58 -0.35 0.18 0.74 -0.21 0.00 0.00 178.00 177.78 1sov h PHE 115 N -0.54 0.56 0.00 0.65 -1.00 -1.58 -3.07 116.94 111.96 1sov h PHE 115 Ca 0.06 -0.03 -0.12 0.00 2.81 0.00 0.00 57.97 60.69 1sov h PHE 115 Cb 0.64 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 1sov h PHE 115 CO -0.45 0.48 -0.55 -0.91 -1.61 0.00 0.00 178.31 175.27 1sov h ASN 116 N 0.48 0.00 -0.50 2.17 2.35 -0.97 -3.04 115.58 116.08 1sov h ASN 116 Ca 0.13 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1sov h ASN 116 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1sov h ASN 116 CO -0.02 0.55 0.13 0.00 -1.65 0.00 0.00 177.43 176.45 1sov h ALA 117 N 1.45 1.20 -0.42 -0.83 0.00 -0.83 0.24 119.26 120.06 1sov h ALA 117 Ca -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1sov h ALA 117 Cb 1.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1sov h ALA 117 CO 0.07 0.55 0.00 -0.22 0.00 0.00 0.00 179.25 179.65 1sov h LYS 118 N 0.82 0.73 -0.30 0.00 3.64 -1.47 -0.06 116.57 119.94 1sov h LYS 118 Ca 0.18 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1sov h LYS 118 Cb 0.30 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1sov h LYS 118 CO -0.00 0.81 -0.07 0.82 -2.27 0.00 0.00 179.45 178.74 1sov h ILE 119 N 0.57 1.28 -0.57 2.00 2.04 -1.34 -1.92 117.51 119.57 1sov h ILE 119 Ca 0.12 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1sov h ILE 119 Cb 0.48 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1sov h ILE 119 CO 0.02 0.35 0.22 0.40 0.00 0.00 0.00 178.15 179.14 1sov h ILE 120 N 0.34 1.21 -0.38 -0.67 1.08 -0.45 -0.73 117.51 117.90 1sov h ILE 120 Ca 0.08 -0.66 -0.09 0.00 -0.39 0.00 0.00 64.86 63.79 1sov h ILE 120 Cb 0.55 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1sov h ILE 120 CO 0.03 0.26 -0.14 0.03 -0.69 0.00 0.00 178.15 177.64 1sov h ARG 121 N 0.82 0.69 -0.44 2.37 3.08 -0.81 0.92 114.38 121.02 1sov h ARG 121 Ca 0.19 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1sov h ARG 121 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1sov h ARG 121 CO -0.02 0.80 -0.03 0.93 -1.07 0.00 0.00 179.97 180.58 1sov h GLU 122 N 0.62 0.79 -0.68 0.04 5.08 -0.53 -1.35 114.58 118.55 1sov h GLU 122 Ca 0.10 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1sov h GLU 122 Cb 0.59 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1sov h GLU 122 CO 0.04 0.88 0.38 0.28 -1.00 0.00 0.00 179.01 179.59 1sov h VAL 123 N 0.63 1.21 -0.94 3.13 2.07 -0.89 -1.46 116.25 120.00 1sov h VAL 123 Ca 0.12 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1sov h VAL 123 Cb 0.54 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1sov h VAL 123 CO 0.03 0.23 0.62 0.00 0.02 0.00 0.00 177.57 178.47 1sov h ALA 124 N 1.19 1.35 -0.56 1.67 0.00 -0.56 0.15 119.26 122.50 1sov h ALA 124 Ca 0.24 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1sov h ALA 124 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1sov h ALA 124 CO -0.04 0.59 0.10 1.96 0.00 0.00 0.00 179.25 181.86 1sov h GLN 125 N 1.24 0.91 -0.50 0.00 1.08 -0.74 0.24 115.11 117.35 1sov h GLN 125 Ca 0.35 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 1sov h GLN 125 Cb -0.10 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 1sov h GLN 125 CO -0.09 0.87 0.17 0.78 -0.95 0.00 0.00 178.83 179.62 1sov h GLY 126 N 0.81 0.82 0.93 3.46 0.00 -0.42 -2.40 103.07 106.26 1sov h GLY 126 Ca 0.17 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1sov h GLY 126 CO 0.01 0.44 -0.24 -2.08 0.00 0.00 0.00 176.54 174.68 1sov h VAL 127 N 0.67 1.31 -0.93 4.60 2.07 -0.86 -1.08 116.25 122.03 1sov h VAL 127 Ca 0.16 -1.39 0.11 0.00 0.82 0.00 0.00 66.70 66.40 1sov h VAL 127 Cb 0.25 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 1sov h VAL 127 CO -0.01 0.44 0.59 0.50 0.02 0.00 0.00 177.57 179.12 1sov h LYS 128 N 0.37 0.88 0.10 1.57 3.64 -0.90 -0.34 116.57 121.89 1sov h LYS 128 Ca 0.05 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1sov h LYS 128 Cb 0.79 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1sov h LYS 128 CO 0.06 0.58 -1.26 -0.22 -2.27 0.00 0.00 179.45 176.34 1sov h LYS 129 N 0.91 0.22 0.00 1.90 3.64 -1.36 -3.38 116.57 118.49 1sov h LYS 129 Ca 0.44 -0.37 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 1sov h LYS 129 Cb 0.46 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1sov h LYS 129 CO -0.20 1.18 -2.04 0.66 -2.27 0.00 0.00 179.45 176.78 1sov n TYR 130 N -4.02 0.29 -2.97 1.91 4.02 -0.42 -4.72 117.16 111.25 1sov n TYR 130 Ca -0.23 0.10 -0.14 0.00 -0.01 0.00 0.00 57.90 57.61 1sov n TYR 130 Cb 0.85 -0.92 0.02 0.00 -0.02 0.00 0.00 39.34 39.27 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 3.23 0.00 -0.54 0.00 0.13 -1.47 -2.22 132.00 131.12 1sov h PRO 132 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1sov h PRO 132 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1sov h PRO 132 CO 0.34 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.39 1sov n LEU 132 N -2.35 3.26 -4.81 1.56 4.77 -1.26 -4.88 117.00 113.29 1sov n LEU 132 Ca -0.00 -1.57 -0.32 0.00 -0.03 0.00 0.00 56.01 54.08 1sov n LEU 132 Cb 0.10 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1sov n LEU 132 CO 0.14 0.78 0.71 0.00 -1.33 0.00 0.00 177.39 177.70 1sov s ALA 133 N -1.28 2.75 -0.15 -1.18 0.00 -0.84 -4.98 121.76 116.08 1sov s ALA 133 Ca 0.41 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 1sov s ALA 133 Cb 0.22 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1sov s ALA 133 CO 0.29 -0.84 0.47 0.12 0.00 0.00 0.00 175.76 175.80 1sov s PHE 134 N -2.54 3.46 -0.16 0.00 5.36 -0.01 -4.91 117.98 119.20 1sov s PHE 134 Ca 0.63 0.82 -0.02 0.00 -0.96 0.00 0.00 56.93 57.40 1sov s PHE 134 Cb -0.15 -2.57 -0.02 0.00 -0.34 0.00 0.00 43.02 39.94 1sov s PHE 134 CO 0.39 0.09 -0.08 0.08 -1.46 0.00 0.00 175.22 174.24 1sov s VAL 135 N 0.92 3.39 -0.27 3.12 1.01 0.16 -0.96 120.40 127.77 1sov s VAL 135 Ca 0.24 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1sov s VAL 135 Cb -0.15 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.81 1sov s VAL 135 CO 0.10 0.49 -0.06 -0.63 0.00 0.00 0.00 175.10 175.00 1sov s ILE 136 N 0.60 2.63 0.10 2.22 1.01 -0.08 -1.40 121.20 126.27 1sov s ILE 136 Ca -0.05 -1.38 -0.19 0.00 0.00 0.00 0.00 60.65 59.03 1sov s ILE 136 Cb -0.15 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.78 1sov s ILE 136 CO 0.03 0.01 0.59 -0.69 0.00 0.00 0.00 174.94 174.89 1sov s VAL 137 N 1.21 4.71 0.00 2.92 1.01 0.79 -0.94 120.40 130.10 1sov s VAL 137 Ca -0.05 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1sov s VAL 137 Cb -0.19 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1sov s VAL 137 CO -0.04 0.48 0.00 0.52 0.00 0.00 0.00 175.10 176.06 1sov n VAL 138 N 1.50 0.00 -1.57 2.92 0.31 0.10 -0.42 118.33 121.17 1sov n VAL 138 Ca -0.09 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.74 1sov n VAL 138 Cb 0.51 -0.27 -0.05 0.00 -0.91 0.00 0.00 33.84 33.11 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 -1.55 0.59 -3.30 2.52 -1.04 -1.12 -4.73 114.28 105.65 1sov n THR 139 Ca 0.00 -0.15 -0.32 0.00 -2.04 0.00 0.00 64.05 61.55 1sov n THR 139 Cb 0.23 -0.76 -0.05 0.00 -1.82 0.00 0.00 70.33 67.93 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 0.12 6.63 -0.23 8.00 0.02 -1.26 -2.88 114.94 125.34 1sov s ASN 140 Ca 0.77 1.00 -0.29 0.00 -1.02 0.00 0.00 52.86 53.32 1sov s ASN 140 Cb -0.91 -2.26 -0.01 0.00 0.02 0.00 0.00 41.25 38.09 1sov s ASN 140 CO 0.51 -0.14 1.34 -2.16 0.02 0.00 0.00 177.10 176.67 1sov s PRO 141 N -3.01 4.02 0.01 -0.60 0.04 -1.26 -4.77 135.00 129.43 1sov s PRO 141 Ca 0.49 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1sov s PRO 141 Cb -0.11 -3.86 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 1sov s PRO 141 CO 0.22 -0.99 1.04 1.25 0.04 0.00 0.00 177.00 178.56 1sov h LEU 142 N 10.56 -0.16 -1.08 -3.56 7.12 -1.81 -0.34 115.31 126.04 1sov h LEU 142 Ca -0.28 0.02 0.17 0.00 0.13 0.00 0.00 57.88 57.92 1sov h LEU 142 Cb 1.11 0.07 -0.09 0.00 -0.53 0.00 0.00 40.66 41.21 1sov h LEU 142 CO 1.00 -0.03 0.62 0.44 -0.13 0.00 0.00 178.44 180.34 1sov h ASP 143 N -0.02 0.78 -0.35 1.25 3.32 -1.89 0.76 116.42 120.28 1sov h ASP 143 Ca 0.01 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1sov h ASP 143 Cb 0.04 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1sov h ASP 143 CO -0.06 0.34 -0.37 0.00 -1.72 0.00 0.00 179.24 177.42 1sov h MET 145 N 0.67 0.05 -0.45 0.00 2.86 0.75 -0.32 114.93 118.49 1sov h MET 145 Ca 0.05 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1sov h MET 145 Cb 0.97 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1sov h MET 145 CO 0.09 0.45 -0.04 0.28 1.06 0.00 0.00 176.91 178.76 1sov h VAL 146 N 0.04 1.27 -0.31 -2.22 2.07 -0.86 0.10 116.25 116.33 1sov h VAL 146 Ca 0.00 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1sov h VAL 146 Cb 0.74 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1sov h VAL 146 CO 0.06 0.38 0.16 0.50 0.02 0.00 0.00 177.57 178.69 1sov h LYS 147 N 0.66 0.43 -0.49 1.57 3.11 -1.21 0.15 116.57 120.79 1sov h LYS 147 Ca 0.12 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.94 1sov h LYS 147 Cb 0.55 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.66 1sov h LYS 147 CO 0.03 0.38 0.27 0.00 -2.81 0.00 0.00 179.45 177.31 1sov h PHE 149 N 0.53 0.68 -0.40 0.00 3.57 -0.39 -1.42 116.94 119.52 1sov h PHE 149 Ca 0.21 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1sov h PHE 149 Cb 0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1sov h PHE 149 CO -0.09 0.66 0.24 1.25 -2.23 0.00 0.00 178.31 178.14 1sov h HIS 150 N 0.51 0.45 -0.52 0.41 2.76 -0.66 0.17 115.15 118.27 1sov h HIS 150 Ca 0.13 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1sov h HIS 150 Cb 0.33 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1sov h HIS 150 CO 0.02 0.27 0.15 1.49 -1.30 0.00 0.00 177.93 178.56 1sov h GLU 151 N 0.49 0.82 0.00 5.26 4.57 -1.05 -1.53 114.58 123.13 1sov h GLU 151 Ca 0.15 -0.18 -0.20 0.00 -1.18 0.00 0.00 59.36 57.95 1sov h GLU 151 Cb -0.01 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1sov h GLU 151 CO -0.06 0.77 -0.87 0.00 -1.18 0.00 0.00 179.01 177.66 1sov h ALA 152 N 1.02 0.52 0.00 2.92 0.00 -1.04 -3.33 119.26 119.35 1sov h ALA 152 Ca 0.17 -0.72 -0.24 0.00 0.00 0.00 0.00 54.91 54.11 1sov h ALA 152 Cb 0.30 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1sov h ALA 152 CO -0.00 0.92 -1.28 0.66 0.00 0.00 0.00 179.25 179.54 1sov h SER 153 N 0.11 0.01 0.00 0.00 4.64 -0.62 -3.43 113.55 114.25 1sov h SER 153 Ca -0.04 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1sov h SER 153 Cb 1.50 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1sov h SER 153 CO 0.13 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 1sov n GLY 154 N 1.44 0.43 3.74 -0.77 0.00 -0.58 -4.69 105.19 104.75 1sov n GLY 154 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 3.10 0.44 0.99 1.02 -1.26 -4.96 118.68 118.01 1sov s LEU 155 Ca 0.00 2.01 -0.26 0.00 0.02 0.00 0.00 54.13 55.90 1sov s LEU 155 Cb 0.00 -4.55 -0.09 0.00 0.02 0.00 0.00 46.19 41.58 1sov s LEU 155 CO 0.00 -2.23 1.45 -2.84 0.02 0.00 0.00 176.35 172.75 1sov s PRO 156 N -4.55 3.76 0.55 1.29 0.02 -1.26 -4.89 135.00 129.91 1sov s PRO 156 Ca 0.65 2.47 0.23 0.00 0.02 0.00 0.00 61.00 64.37 1sov s PRO 156 Cb -0.21 -2.72 1.46 0.00 0.02 0.00 0.00 34.50 33.05 1sov s PRO 156 CO 0.52 -0.78 2.13 1.57 -0.33 0.00 0.00 177.00 180.11 1sov h LYS 157 N 2.45 0.00 -0.00 5.54 5.09 -1.94 -0.45 116.57 127.26 1sov h LYS 157 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.23 1sov h LYS 157 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.59 1sov h LYS 157 CO 0.62 0.00 -0.01 0.27 -2.09 0.00 0.00 179.45 178.24 1sov n ASN 158 N -4.26 0.03 -1.07 7.07 6.94 -1.26 -3.54 115.26 119.18 1sov n ASN 158 Ca 0.00 -0.02 0.08 0.00 -0.02 0.00 0.00 54.58 54.62 1sov n ASN 158 Cb 0.24 -0.32 0.26 0.00 -2.36 0.00 0.00 39.78 37.60 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 -1.32 3.21 -4.13 -3.83 2.81 -0.18 -0.58 117.12 113.11 1sov n MET 159 Ca 0.13 -2.60 -0.18 0.00 -1.81 0.00 0.00 57.70 53.24 1sov n MET 159 Cb 0.27 -1.67 -0.16 0.00 -0.71 0.00 0.00 33.22 30.95 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 -1.85 0.43 0.31 2.03 1.01 -1.23 -0.67 120.40 120.43 1sov s VAL 160 Ca 0.39 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 1sov s VAL 160 Cb 0.26 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1sov s VAL 160 CO 0.17 0.18 0.66 0.00 0.00 0.00 0.00 175.10 176.11 1sov s GLY 162 N -3.02 0.75 -0.20 0.00 0.00 -0.48 -0.15 107.32 104.22 1sov s GLY 162 Ca 0.17 -0.67 -0.18 0.00 0.00 0.00 0.00 44.72 44.03 1sov s GLY 162 CO 0.10 -0.58 0.51 -0.29 0.00 0.00 0.00 173.10 172.85 1sov s MET 163 N -0.46 4.19 0.40 2.90 1.75 0.44 -0.82 119.30 127.71 1sov s MET 163 Ca 0.05 0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.90 1sov s MET 163 Cb -0.06 -3.56 0.00 0.00 2.84 0.00 0.00 34.83 34.05 1sov s MET 163 CO -0.00 -0.14 0.00 0.00 -0.65 0.00 0.00 175.02 174.23 1sov n ALA 164 N 4.74 0.00 0.29 4.11 0.00 -1.26 -4.73 120.51 123.66 1sov n ALA 164 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.54 1sov n ALA 164 Cb 0.50 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.85 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 -0.41 0.00 -0.26 -1.85 -1.27 115.58 111.79 1sov h ASN 165 Ca 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 1sov h ASN 165 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1sov h ASN 165 CO 0.00 0.02 -0.27 0.58 -1.06 0.00 0.00 177.43 176.70 1sov h VAL 166 N 0.00 1.27 -0.21 2.81 2.07 -1.84 0.14 116.25 120.50 1sov h VAL 166 Ca -0.00 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 1sov h VAL 166 Cb 0.05 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1sov h VAL 166 CO 0.00 0.49 -0.07 0.25 0.02 0.00 0.00 177.57 178.26 1sov h LEU 167 N 0.80 0.42 -0.85 2.57 5.85 -1.63 -0.21 115.31 122.26 1sov h LEU 167 Ca 0.09 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1sov h LEU 167 Cb 0.85 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1sov h LEU 167 CO 0.07 0.72 0.56 0.44 -0.34 0.00 0.00 178.44 179.89 1sov h ASP 168 N 0.13 0.95 0.06 1.25 3.32 -1.17 -2.09 116.42 118.88 1sov h ASP 168 Ca 0.05 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 1sov h ASP 168 Cb 0.54 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1sov h ASP 168 CO 0.03 0.68 -0.39 0.28 -1.72 0.00 0.00 179.24 178.11 1sov h SER 169 N 1.12 0.46 -0.95 6.45 0.02 -0.59 -2.10 113.55 117.95 1sov h SER 169 Ca 0.32 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1sov h SER 169 Cb -0.09 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 1sov h SER 169 CO -0.08 0.80 0.63 0.00 -1.14 0.00 0.00 176.83 177.04 1sov h ALA 170 N 1.22 1.33 0.08 3.77 0.00 -0.37 0.14 119.26 125.43 1sov h ALA 170 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sov h ALA 170 Cb 0.85 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sov h ALA 170 CO 0.07 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 179.89 1sov h ARG 171 N 1.27 -0.11 -0.50 0.00 3.08 -1.19 -0.32 114.38 116.62 1sov h ARG 171 Ca 0.36 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.50 1sov h ARG 171 Cb -0.12 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.89 1sov h ARG 171 CO -0.08 0.24 0.07 0.35 -1.07 0.00 0.00 179.97 179.48 1sov h PHE 172 N -0.46 0.11 -0.45 3.04 3.57 -1.07 -1.20 116.94 120.47 1sov h PHE 172 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1sov h PHE 172 Cb 0.40 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1sov h PHE 172 CO 0.04 -0.03 0.10 0.00 -2.23 0.00 0.00 178.31 176.18 1sov h ARG 173 N 0.20 0.73 -0.63 1.11 3.08 -0.69 -2.10 114.38 116.09 1sov h ARG 173 Ca 0.25 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1sov h ARG 173 Cb 0.35 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1sov h ARG 173 CO -0.35 0.74 0.28 -0.09 -1.07 0.00 0.00 179.97 179.48 1sov h ARG 174 N 0.60 0.92 -0.47 0.04 9.65 -0.49 0.22 114.38 124.85 1sov h ARG 174 Ca 0.14 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1sov h ARG 174 Cb 0.34 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1sov h ARG 174 CO 0.00 0.76 0.18 0.74 2.80 0.00 0.00 179.97 184.45 1sov h PHE 175 N 0.87 0.74 -0.50 2.20 0.05 -1.15 -0.57 116.94 118.57 1sov h PHE 175 Ca 0.21 -0.06 -0.07 0.00 3.82 0.00 0.00 57.97 61.87 1sov h PHE 175 Cb 0.16 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 37.87 1sov h PHE 175 CO 0.01 0.63 0.05 0.82 -0.18 0.00 0.00 178.31 179.63 1sov h ILE 176 N 0.63 1.26 -0.66 -0.55 1.08 -1.12 -2.56 117.51 115.59 1sov h ILE 176 Ca 0.16 -1.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.66 1sov h ILE 176 Cb 0.22 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 1sov h ILE 176 CO -0.01 0.35 0.40 0.00 -0.69 0.00 0.00 178.15 178.20 1sov h ALA 177 N 0.96 0.86 -0.62 1.87 0.00 -0.27 -1.36 119.26 120.69 1sov h ALA 177 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sov h ALA 177 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1sov h ALA 177 CO 0.02 0.14 0.35 -0.44 0.00 0.00 0.00 179.25 179.32 1sov h ASP 178 N 0.77 0.77 -0.45 0.00 3.32 -0.93 -0.25 116.42 119.64 1sov h ASP 178 Ca 0.27 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1sov h ASP 178 Cb 0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1sov h ASP 178 CO -0.12 0.63 -0.15 -0.61 -1.72 0.00 0.00 179.24 177.27 1sov h GLN 179 N 0.84 0.91 -0.00 3.56 5.75 -1.03 -3.20 115.11 121.94 1sov h GLN 179 Ca 0.22 -0.37 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1sov h GLN 179 Cb 0.02 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1sov h GLN 179 CO -0.04 1.02 -0.31 1.28 -2.65 0.00 0.00 178.83 178.14 1sov n LEU 180 N -4.21 0.49 -3.30 -2.39 4.77 -0.56 -4.95 117.00 106.85 1sov n LEU 180 Ca -0.00 0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1sov n LEU 180 Cb 0.41 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 41.32 1sov n LEU 180 CO 0.45 0.11 0.10 -0.62 -1.33 0.00 0.00 177.39 176.10 1sov n GLU 181 N -1.27 -6.24 -4.09 3.23 1.02 -0.14 -5.03 120.64 108.12 1sov n GLU 181 Ca 0.08 0.81 -0.14 0.00 -0.02 0.00 0.00 57.16 57.89 1sov n GLU 181 Cb 0.33 -5.70 -0.13 0.00 -0.02 0.00 0.00 31.44 25.93 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 -3.34 0.46 0.50 -3.67 1.01 -1.01 -5.07 121.20 110.08 1sov s ILE 182 Ca 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1sov s ILE 182 Cb -0.00 -0.49 -0.07 0.00 0.01 0.00 0.00 42.46 41.92 1sov s ILE 182 CO 0.69 -0.20 1.36 -0.24 0.00 0.00 0.00 174.94 176.55 1sov n SER 183 N 2.04 2.80 0.16 3.58 2.88 -1.26 -4.54 113.62 119.27 1sov n SER 183 Ca -0.19 1.03 0.13 0.00 -1.33 0.00 0.00 58.87 58.51 1sov n SER 183 Cb 0.56 -1.57 0.57 0.00 -0.75 0.00 0.00 64.21 63.02 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 1.75 0.00 -0.95 -1.46 0.13 -1.92 -1.29 132.00 128.26 1sov h PRO 184 Ca -0.50 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1sov h PRO 184 Cb 1.29 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1sov h PRO 184 CO 0.58 0.00 0.61 -0.09 -0.23 0.00 0.00 178.00 178.88 1sov h ARG 185 N 0.00 1.03 -0.52 0.86 9.65 -1.97 -1.94 114.38 121.50 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 0.25 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1sov h ARG 185 CO 0.00 0.68 0.00 -0.25 2.80 0.00 0.00 179.97 183.20 1sov n ASP 186 N -4.51 2.80 -4.39 -3.80 8.00 -0.49 -4.77 116.55 109.39 1sov n ASP 186 Ca 0.15 -2.05 -0.36 0.00 0.71 0.00 0.00 54.79 53.23 1sov n ASP 186 Cb 0.22 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.40 4.01 -0.34 0.53 -1.09 -0.73 -1.25 121.20 120.92 1sov s ILE 187 Ca 0.34 -0.35 -0.11 0.00 -2.23 0.00 0.00 60.65 58.30 1sov s ILE 187 Cb 0.18 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 1sov s ILE 187 CO 0.22 0.31 0.19 -1.10 -1.23 0.00 0.00 174.94 173.33 1sov s GLN 188 N 1.56 3.21 -0.01 2.79 1.11 -0.07 -4.93 119.66 123.32 1sov s GLN 188 Ca 0.06 -0.81 -0.01 0.00 0.01 0.00 0.00 55.36 54.60 1sov s GLN 188 Cb -0.15 -3.67 0.01 0.00 -1.01 0.00 0.00 33.01 28.19 1sov s GLN 188 CO 0.02 -0.51 0.03 0.00 0.01 0.00 0.00 175.29 174.84 1sov s ALA 189 N 1.62 -0.04 -0.01 6.09 0.00 -1.26 -0.95 121.76 127.20 1sov s ALA 189 Ca 0.04 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1sov s ALA 189 Cb -0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1sov s ALA 189 CO 0.07 -0.03 -0.11 0.99 0.00 0.00 0.00 175.76 176.68 1sov s THR 190 N 0.25 0.85 -0.06 0.00 2.01 -1.26 -4.77 115.64 112.67 1sov s THR 190 Ca -0.02 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1sov s THR 190 Cb -0.03 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1sov s THR 190 CO -0.01 0.25 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.29 1sov s VAL 191 N -0.16 2.62 0.44 3.82 1.01 -1.26 -0.76 120.40 126.10 1sov s VAL 191 Ca 0.03 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1sov s VAL 191 Cb -0.05 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1sov s VAL 191 CO -0.00 0.57 0.12 0.27 0.00 0.00 0.00 175.10 176.06 1sov s ILE 192 N -0.38 0.61 0.00 2.22 -4.36 -0.54 -4.79 121.20 113.96 1sov s ILE 192 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1sov s ILE 192 Cb -0.12 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.32 1sov s ILE 192 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1sov n GLY 193 N -1.00 -0.78 0.00 6.27 0.00 -0.12 -0.11 105.19 109.45 1sov n GLY 193 Ca -0.08 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.50 2.61 5.66 -1.26 -2.41 114.28 116.38 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 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.22 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 3.56 0.00 1.09 -3.43 -1.26 -3.53 115.29 112.84 1sov s HIS 195 Ca 0.00 0.88 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 1sov s HIS 195 Cb 0.00 -2.38 0.00 0.00 -1.43 0.00 0.00 32.58 28.77 1sov s HIS 195 CO 0.00 -0.36 0.00 0.41 -2.00 0.00 0.00 174.74 172.79 1sov n GLY 196 N -2.35 -1.81 0.08 -1.38 0.00 -1.26 -4.14 105.19 94.32 1sov n GLY 196 Ca 0.02 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 0.29 0.31 0.04 1.61 8.00 -1.26 -1.15 116.55 124.40 1sov n ASP 197 Ca 0.00 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.24 1sov n ASP 197 Cb 0.00 -0.67 0.39 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.89 0.37 -1.58 1.24 8.25 -1.26 -4.86 115.22 115.50 1sov n HIS 198 Ca 0.01 0.11 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 1sov n HIS 198 Cb 0.09 -0.60 0.04 0.00 1.12 0.00 0.00 29.99 30.64 1sov n HIS 198 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sov n MET 199 N -1.84 0.87 -3.97 -0.41 0.00 -0.30 -4.59 117.12 106.88 1sov n MET 199 Ca 0.05 0.33 -0.31 0.00 0.00 0.00 0.00 57.70 57.78 1sov n MET 199 Cb 0.39 -2.05 -0.14 0.00 0.00 0.00 0.00 33.22 31.41 1sov n MET 199 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1sov s LEU 200 N -1.28 4.53 -0.13 3.17 2.96 0.84 -4.97 118.68 123.80 1sov s LEU 200 Ca 0.73 -2.66 -0.29 0.00 -0.22 0.00 0.00 54.13 51.68 1sov s LEU 200 Cb -0.44 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1sov s LEU 200 CO 0.50 -0.30 1.41 -2.84 -1.32 0.00 0.00 176.35 173.79 1sov s PRO 201 N 0.20 4.20 -1.13 0.98 0.02 -1.26 -1.46 135.00 136.55 1sov s PRO 201 Ca 0.15 1.83 -0.19 0.00 0.02 0.00 0.00 61.00 62.80 1sov s PRO 201 Cb -0.23 -3.85 0.09 0.00 0.02 0.00 0.00 34.50 30.53 1sov s PRO 201 CO -0.03 -0.78 1.50 -0.51 -0.33 0.00 0.00 177.00 176.85 1sov s LEU 202 N 3.74 4.06 0.26 -5.54 1.43 0.06 -4.85 118.68 117.84 1sov s LEU 202 Ca 0.61 -2.09 -0.02 0.00 -1.03 0.00 0.00 54.13 51.61 1sov s LEU 202 Cb -0.26 -2.52 0.49 0.00 0.03 0.00 0.00 46.19 43.92 1sov s LEU 202 CO 0.20 -1.22 1.80 0.00 0.23 0.00 0.00 176.35 177.36 1sov h ALA 203 N 8.54 1.30 0.00 4.21 0.00 -1.91 -1.84 119.26 129.56 1sov h ALA 203 Ca 0.29 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1sov h ALA 203 Cb 0.95 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sov h ALA 203 CO 1.37 0.06 -0.15 -0.09 0.00 0.00 0.00 179.25 180.44 1sov h ARG 204 N 0.78 0.00 -0.64 0.00 2.43 -1.99 -2.78 114.38 112.18 1sov h ARG 204 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1sov h ARG 204 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1sov h ARG 204 CO -0.29 0.15 0.00 0.66 -1.51 0.00 0.00 179.97 178.98 1sov n TYR 205 N -3.99 1.38 -2.70 2.20 4.01 -0.69 -4.86 117.16 112.51 1sov n TYR 205 Ca -0.02 -0.54 -0.42 0.00 -0.16 0.00 0.00 57.90 56.77 1sov n TYR 205 Cb 0.24 -0.26 -0.04 0.00 -0.31 0.00 0.00 39.34 38.97 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 -1.92 4.63 0.08 -0.72 1.01 -1.05 -4.68 120.40 117.75 1sov s VAL 206 Ca 0.45 2.03 0.02 0.00 0.00 0.00 0.00 61.98 64.48 1sov s VAL 206 Cb 0.30 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1sov s VAL 206 CO 0.20 0.24 -0.07 0.42 0.00 0.00 0.00 175.10 175.89 1sov s THR 207 N 0.49 0.69 -0.38 3.92 -4.23 -0.13 -1.45 115.64 114.55 1sov s THR 207 Ca 0.50 -1.68 -0.07 0.00 -1.18 0.00 0.00 61.69 59.26 1sov s THR 207 Cb -0.23 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.31 1sov s THR 207 CO 0.29 -0.71 0.18 -0.69 -0.54 0.00 0.00 174.62 173.15 1sov s VAL 208 N -2.91 3.81 -1.51 2.29 1.01 0.71 -0.89 120.40 122.92 1sov s VAL 208 Ca 0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 1sov s VAL 208 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.11 1sov s VAL 208 CO -0.03 -0.40 0.39 -3.20 0.00 0.00 0.00 175.10 171.87 1sov n ASN 209 N 4.80 -0.60 0.00 3.32 5.15 -0.38 -0.53 115.26 127.02 1sov n ASN 209 Ca -0.10 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 1sov n ASN 209 Cb 0.43 -2.60 0.00 0.00 -0.53 0.00 0.00 39.78 37.08 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 -1.99 2.54 3.68 8.20 0.00 -1.26 -5.01 105.19 111.34 1sov n GLY 209 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.66 3.45 0.28 1.61 2.99 0.30 -4.96 117.98 119.00 1sov s PHE 209 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 56.93 57.87 1sov s PHE 209 Cb 0.00 -2.97 -0.13 0.00 0.00 0.00 0.00 43.02 39.93 1sov s PHE 209 CO 0.00 -0.17 1.38 -2.30 -0.00 0.00 0.00 175.22 174.12 1sov n PRO 209 N 4.93 2.10 -0.04 0.24 -0.02 -1.26 -0.20 135.00 140.75 1sov n PRO 209 Ca 0.03 0.75 0.14 0.00 -2.02 0.00 0.00 63.50 62.39 1sov n PRO 209 Cb 0.49 -2.38 0.55 0.00 -0.02 0.00 0.00 33.50 32.14 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 3.69 0.26 -1.58 2.45 5.85 -1.58 -0.89 115.31 123.50 1sov h LEU 210 Ca -0.45 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.43 1sov h LEU 210 Cb 1.28 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1sov h LEU 210 CO 0.71 0.15 0.52 -0.09 -0.34 0.00 0.00 178.44 179.40 1sov h ARG 210 N 0.29 0.39 -0.27 1.25 2.43 -1.89 0.17 114.38 116.74 1sov h ARG 210 Ca 0.25 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.31 1sov h ARG 210 Cb 0.62 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1sov h ARG 210 CO -0.06 0.26 -0.24 0.93 -1.51 0.00 0.00 179.97 179.35 1sov h GLU 211 N 0.40 0.51 -0.18 0.20 5.08 -1.51 -0.42 114.58 118.66 1sov h GLU 211 Ca 0.39 -0.19 -0.18 0.00 -1.00 0.00 0.00 59.36 58.37 1sov h GLU 211 Cb 0.92 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1sov h GLU 211 CO -0.13 0.72 -0.63 0.74 -1.00 0.00 0.00 179.01 178.71 1sov h PHE 212 N 0.46 0.84 -0.57 4.33 -1.00 -0.82 -2.22 116.94 117.95 1sov h PHE 212 Ca 0.07 -0.32 -0.06 0.00 2.81 0.00 0.00 57.97 60.47 1sov h PHE 212 Cb 0.66 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 1sov h PHE 212 CO 0.02 1.10 0.13 0.82 -1.61 0.00 0.00 178.31 178.78 1sov h ILE 213 N 0.48 1.25 0.00 -0.55 2.04 -0.91 -0.25 117.51 119.57 1sov h ILE 213 Ca -0.01 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 1sov h ILE 213 Cb 1.21 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1sov h ILE 213 CO 0.12 0.33 -0.19 0.11 0.00 0.00 0.00 178.15 178.53 1sov h LYS 214 N 0.82 0.00 -0.31 2.37 1.57 -0.96 -1.07 116.57 118.99 1sov h LYS 214 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1sov h LYS 214 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1sov h LYS 214 CO 0.00 0.19 0.00 1.63 -0.57 0.00 0.00 179.45 180.70 1sov n LYS 215 N -4.15 1.86 -1.32 3.15 4.76 -0.85 -4.93 118.16 116.68 1sov n LYS 215 Ca -0.02 -1.32 -0.05 0.00 -2.87 0.00 0.00 58.31 54.05 1sov n LYS 215 Cb 0.26 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 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 1.13 0.66 0.02 0.72 0.00 -0.40 -4.92 105.19 102.41 1sov n GLY 216 Ca 0.14 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.48 1sov n GLY 216 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sov n LYS 218 N -2.61 0.08 -3.57 1.61 4.76 -0.15 -4.87 118.16 113.41 1sov n LYS 218 Ca -0.05 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 1sov n LYS 218 Cb 0.24 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.80 1sov n LYS 218 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1sov s MET 219 N -3.04 0.76 0.26 1.97 1.75 -1.25 -4.69 119.30 115.05 1sov s MET 219 Ca 0.11 0.34 0.06 0.00 -1.25 0.00 0.00 55.69 54.95 1sov s MET 219 Cb 0.17 0.36 -0.03 0.00 2.84 0.00 0.00 34.83 38.17 1sov s MET 219 CO 0.64 -0.20 0.37 0.95 -0.65 0.00 0.00 175.02 176.12 1sov s THR 220 N -0.77 4.87 0.40 10.11 -4.23 -1.26 -4.22 115.64 120.53 1sov s THR 220 Ca -0.04 -1.04 0.08 0.00 -1.18 0.00 0.00 61.69 59.51 1sov s THR 220 Cb -0.01 -3.70 0.20 0.00 1.34 0.00 0.00 72.50 70.33 1sov s THR 220 CO 0.03 -0.29 1.97 -0.33 -0.54 0.00 0.00 174.62 175.46 1sov h GLU 221 N 1.14 0.35 -0.60 3.99 4.39 -1.99 -1.79 114.58 120.07 1sov h GLU 221 Ca -0.50 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.08 1sov h GLU 221 Cb 1.24 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1sov h GLU 221 CO 0.59 0.37 0.14 0.00 -1.16 0.00 0.00 179.01 178.96 1sov h ALA 222 N 1.67 0.80 -0.66 3.43 0.00 -1.99 -0.82 119.26 121.69 1sov h ALA 222 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1sov h ALA 222 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1sov h ALA 222 CO 0.00 0.51 0.08 -0.22 0.00 0.00 0.00 179.25 179.63 1sov h LYS 223 N 0.88 1.11 -0.34 0.00 1.63 -1.82 -0.35 116.57 117.69 1sov h LYS 223 Ca 0.19 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1sov h LYS 223 Cb 0.36 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1sov h LYS 223 CO 0.00 1.03 0.18 1.25 -3.45 0.00 0.00 179.45 178.46 1sov h LEU 225 N 1.03 0.42 -1.05 5.20 5.85 -1.09 0.35 115.31 126.02 1sov h LEU 225 Ca 0.20 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1sov h LEU 225 Cb 0.47 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1sov h LEU 225 CO 0.02 0.39 0.64 0.00 -0.34 0.00 0.00 178.44 179.15 1sov h ALA 226 N 1.05 1.33 -0.46 1.25 0.00 -0.86 -0.28 119.26 121.29 1sov h ALA 226 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sov h ALA 226 Cb 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1sov h ALA 226 CO -0.02 0.61 0.23 1.49 0.00 0.00 0.00 179.25 181.57 1sov h GLU 227 N 1.29 0.65 -0.83 0.00 4.81 -0.43 -1.98 114.58 118.10 1sov h GLU 227 Ca 0.36 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1sov h GLU 227 Cb -0.11 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 1sov h GLU 227 CO -0.09 0.54 0.38 0.82 -0.73 0.00 0.00 179.01 179.93 1sov h ILE 228 N 0.60 1.26 -0.48 2.32 2.04 -0.24 0.15 117.51 123.16 1sov h ILE 228 Ca 0.16 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1sov h ILE 228 Cb 0.09 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1sov h ILE 228 CO -0.02 0.32 0.28 0.58 0.00 0.00 0.00 178.15 179.30 1sov h VAL 229 N 1.18 1.16 -0.47 1.67 2.07 -0.81 -0.41 116.25 120.64 1sov h VAL 229 Ca 0.28 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 1sov h VAL 229 Cb 0.14 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1sov h VAL 229 CO -0.03 0.16 -0.13 -0.08 0.02 0.00 0.00 177.57 177.50 1sov h GLU 230 N 0.64 0.92 -0.34 1.57 4.57 -0.94 -2.73 114.58 118.26 1sov h GLU 230 Ca 0.17 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 1sov h GLU 230 Cb 0.01 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1sov h GLU 230 CO -0.03 1.02 0.08 0.00 -1.18 0.00 0.00 179.01 178.90 1sov h ARG 231 N 0.77 0.50 -0.51 1.92 3.08 -0.41 -1.46 114.38 118.27 1sov h ARG 231 Ca 0.12 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1sov h ARG 231 Cb 0.69 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1sov h ARG 231 CO 0.05 0.47 0.27 1.15 -1.07 0.00 0.00 179.97 180.84 1sov h THR 232 N 0.49 1.18 -0.56 2.04 2.02 -0.83 0.23 112.91 117.48 1sov h THR 232 Ca 0.12 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 1sov h THR 232 Cb 0.20 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1sov h THR 232 CO -0.00 0.19 0.01 0.11 0.37 0.00 0.00 175.52 176.19 1sov h LYS 233 N 0.68 0.97 -0.01 6.66 1.57 -1.12 -3.08 116.57 122.24 1sov h LYS 233 Ca 0.18 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1sov h LYS 233 Cb 0.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1sov h LYS 233 CO -0.03 0.95 -0.23 1.63 -0.57 0.00 0.00 179.45 181.21 1sov n LYS 234 N -4.19 0.68 -0.17 3.15 4.76 -0.60 -4.49 118.16 117.30 1sov n LYS 234 Ca 0.03 -0.34 -0.02 0.00 -2.87 0.00 0.00 58.31 55.11 1sov n LYS 234 Cb 0.33 -1.49 0.08 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 3.57 0.59 -0.52 7.82 0.00 -0.45 -1.30 119.26 128.98 1sov h ALA 235 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sov h ALA 235 Cb 0.46 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1sov h ALA 235 CO 0.00 -0.30 0.31 0.78 0.00 0.00 0.00 179.25 180.04 1sov h GLY 236 N 0.25 0.75 1.30 0.00 0.00 -1.81 -2.42 103.07 101.14 1sov h GLY 236 Ca 0.26 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1sov h GLY 236 CO -0.34 0.30 0.20 -1.33 0.00 0.00 0.00 176.54 175.38 1sov h GLY 237 N 0.69 0.96 1.00 4.60 0.00 -1.74 -1.47 103.07 107.11 1sov h GLY 237 Ca 0.19 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1sov h GLY 237 CO -0.03 0.49 0.37 0.83 0.00 0.00 0.00 176.54 178.20 1sov h GLU 238 N 0.87 0.89 -0.47 4.80 4.39 -0.91 0.73 114.58 124.88 1sov h GLU 238 Ca 0.20 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 1sov h GLU 238 Cb 0.23 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1sov h GLU 238 CO -0.01 0.65 -0.14 0.82 -1.16 0.00 0.00 179.01 179.16 1sov h ILE 239 N 0.88 1.27 -0.63 3.13 2.04 -1.04 -2.71 117.51 120.45 1sov h ILE 239 Ca 0.23 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1sov h ILE 239 Cb 0.00 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1sov h ILE 239 CO -0.04 0.44 0.38 0.58 0.00 0.00 0.00 178.15 179.51 1sov h VAL 240 N 0.77 1.04 0.00 1.67 2.07 -0.90 0.16 116.25 121.05 1sov h VAL 240 Ca 0.11 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1sov h VAL 240 Cb 0.70 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1sov h VAL 240 CO 0.05 0.13 0.00 -1.14 0.02 0.00 0.00 177.57 176.63 1sov n ARG 241 N -4.75 0.05 0.00 1.57 0.00 0.22 -2.25 116.66 111.51 1sov n ARG 241 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1sov n ARG 241 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.56 1sov n ARG 241 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1sov n LEU 242 N -0.25 0.00 0.00 6.15 4.77 0.56 -4.87 117.00 123.36 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 2.47 2.88 -0.72 0.00 -0.95 -4.91 105.19 103.96 1sov n GLY 242 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.05 2.05 1.61 0.74 -1.26 -5.11 119.66 117.74 1sov s GLN 243 Ca 0.00 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.63 1sov s GLN 243 Cb 0.00 -0.12 0.00 0.00 1.10 0.00 0.00 33.01 33.99 1sov s GLN 243 CO 0.00 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 1sov n GLY 244 N 3.77 -1.06 2.30 2.59 0.00 -1.26 -5.00 105.19 106.53 1sov n GLY 244 Ca -0.22 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 1sov n GLY 244 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sov n SER 245 N -0.62 -0.55 -4.67 1.61 3.41 -1.26 -4.55 113.62 106.99 1sov n SER 245 Ca 0.00 -2.55 -0.38 0.00 -0.26 0.00 0.00 58.87 55.68 1sov n SER 245 Cb 0.00 1.25 0.06 0.00 -0.26 0.00 0.00 64.21 65.26 1sov n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sov n ALA 246 N -1.36 0.70 0.00 7.33 0.00 -1.26 -4.94 120.51 120.97 1sov n ALA 246 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1sov n ALA 246 Cb 0.43 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.70 0.00 0.04 0.00 4.11 -1.26 -4.76 117.16 113.59 1sov n TYR 247 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.91 1sov n TYR 247 Cb 0.47 0.00 -0.09 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 -0.12 -0.23 -3.48 -1.99 -1.93 -1.23 116.97 107.99 1sov h TYR 248 Ca 0.00 -0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.55 1sov h TYR 248 Cb 0.00 0.04 -0.00 0.00 2.00 0.00 0.00 36.73 38.77 1sov h TYR 248 CO 0.00 0.27 -0.56 0.00 -0.00 0.00 0.00 178.16 177.87 1sov h ALA 249 N 0.31 0.58 -0.79 3.88 0.00 -1.99 -2.53 119.26 118.73 1sov h ALA 249 Ca -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1sov h ALA 249 Cb 0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1sov h ALA 249 CO 0.02 0.69 0.42 -1.35 0.00 0.00 0.00 179.25 179.03 1sov h PRO 250 N 0.54 1.10 -0.53 0.00 0.11 -1.86 0.18 132.00 131.56 1sov h PRO 250 Ca 0.01 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 1sov h PRO 250 Cb 1.13 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1sov h PRO 250 CO 0.11 0.83 0.14 0.00 -0.21 0.00 0.00 178.00 178.88 1sov h ALA 251 N 1.22 0.69 -0.20 -0.75 0.00 -1.18 -1.74 119.26 117.30 1sov h ALA 251 Ca 0.28 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1sov h ALA 251 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sov h ALA 251 CO -0.04 0.37 -0.36 1.25 0.00 0.00 0.00 179.25 180.47 1sov h LEU 252 N 0.73 0.45 -0.09 0.00 5.85 -1.24 -1.05 115.31 119.96 1sov h LEU 252 Ca 0.17 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1sov h LEU 252 Cb 0.31 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1sov h LEU 252 CO -0.00 0.78 0.05 0.28 -0.34 0.00 0.00 178.44 179.20 1sov h SER 253 N 0.36 0.11 -0.47 1.25 0.02 -0.63 0.05 113.55 114.24 1sov h SER 253 Ca 0.04 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1sov h SER 253 Cb 0.81 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1sov h SER 253 CO 0.07 0.15 0.04 0.00 -1.14 0.00 0.00 176.83 175.94 1sov h ALA 254 N 0.97 0.63 -0.02 3.77 0.00 -1.22 -2.36 119.26 121.03 1sov h ALA 254 Ca 0.03 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1sov h ALA 254 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sov h ALA 254 CO -0.01 0.39 -0.43 0.82 0.00 0.00 0.00 179.25 180.03 1sov h ILE 255 N 0.66 1.31 -0.43 0.00 1.08 -1.11 -0.38 117.51 118.65 1sov h ILE 255 Ca 0.14 -1.49 -0.12 0.00 -0.39 0.00 0.00 64.86 63.00 1sov h ILE 255 Cb 0.44 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 1sov h ILE 255 CO 0.02 0.43 -0.20 0.74 -0.69 0.00 0.00 178.15 178.44 1sov h THR 256 N 0.03 1.27 -0.47 -0.27 2.02 -0.81 0.45 112.91 115.13 1sov h THR 256 Ca -0.00 -1.33 -0.10 0.00 0.77 0.00 0.00 66.41 65.75 1sov h THR 256 Cb 0.77 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1sov h THR 256 CO 0.06 0.45 -0.08 0.24 0.37 0.00 0.00 175.52 176.56 1sov h MET 257 N 0.74 0.89 -0.57 6.66 2.86 -0.92 -1.96 114.93 122.63 1sov h MET 257 Ca 0.10 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1sov h MET 257 Cb 0.74 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1sov h MET 257 CO 0.06 0.97 0.28 0.00 1.06 0.00 0.00 176.91 179.28 1sov h ALA 258 N 0.89 0.74 -0.45 6.32 0.00 -0.76 -2.73 119.26 123.26 1sov h ALA 258 Ca 0.12 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1sov h ALA 258 Cb 0.62 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1sov h ALA 258 CO 0.04 0.29 -0.00 0.37 0.00 0.00 0.00 179.25 179.95 1sov h GLN 259 N 0.77 0.73 -0.61 0.00 4.15 -0.82 0.39 115.11 119.73 1sov h GLN 259 Ca 0.20 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1sov h GLN 259 Cb 0.10 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1sov h GLN 259 CO -0.03 0.75 0.26 0.00 -1.93 0.00 0.00 178.83 177.88 1sov h ALA 260 N 1.31 1.31 0.18 3.38 0.00 -1.10 -0.08 119.26 124.26 1sov h ALA 260 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sov h ALA 260 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sov h ALA 260 CO 0.02 0.52 -0.09 0.35 0.00 0.00 0.00 179.25 180.05 1sov h PHE 261 N 0.87 -0.23 -1.01 0.00 3.57 -1.15 0.27 116.94 119.27 1sov h PHE 261 Ca 0.21 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.83 1sov h PHE 261 Cb 0.15 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.88 1sov h PHE 261 CO 0.01 0.19 0.63 -0.07 -2.23 0.00 0.00 178.31 176.84 1sov h LEU 262 N -0.84 0.92 -3.03 0.59 3.38 -0.73 -1.76 115.31 113.83 1sov h LEU 262 Ca -0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sov h LEU 262 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1sov h LEU 262 CO 0.04 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.34 1sov n LYS 263 N -4.63 3.34 -4.02 1.13 5.02 -0.06 -4.96 118.16 113.99 1sov n LYS 263 Ca 0.19 -2.72 -0.34 0.00 -2.02 0.00 0.00 58.31 53.42 1sov n LYS 263 Cb 0.37 -1.73 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 1.03 -2.04 0.08 4.39 2.03 -0.66 -4.87 116.55 116.50 1sov n ASP 264 Ca 0.23 -1.15 -0.05 0.00 0.52 0.00 0.00 54.79 54.33 1sov n ASP 264 Cb 0.77 -2.40 -0.08 0.00 -0.72 0.00 0.00 41.12 38.69 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 -2.06 0.00 -4.51 -0.67 5.08 -1.16 -3.42 114.58 107.84 1sov h GLU 265 Ca -0.67 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.49 1sov h GLU 265 Cb 1.39 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.76 1sov h GLU 265 CO 0.59 0.91 -0.54 1.63 -1.00 0.00 0.00 179.01 180.60 1sov n LYS 266 N -3.38 -3.33 -3.53 2.33 5.02 -0.47 -4.99 118.16 109.81 1sov n LYS 266 Ca 0.00 0.57 -0.36 0.00 -2.02 0.00 0.00 58.31 56.50 1sov n LYS 266 Cb 0.89 -4.62 -0.06 0.00 -0.02 0.00 0.00 35.03 31.22 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 -4.54 3.83 -0.46 1.97 1.81 -0.78 -4.76 118.95 116.02 1sov s ARG 267 Ca 0.11 0.29 -0.27 0.00 -1.72 0.00 0.00 55.73 54.15 1sov s ARG 267 Cb -0.01 -3.07 0.03 0.00 -0.45 0.00 0.00 34.95 31.44 1sov s ARG 267 CO 0.49 0.60 1.00 0.08 -0.68 0.00 0.00 175.30 176.79 1sov s VAL 268 N -1.29 4.39 -0.17 3.52 1.01 -1.26 -0.84 120.40 125.77 1sov s VAL 268 Ca 0.30 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 1sov s VAL 268 Cb -0.15 -4.49 0.06 0.00 0.00 0.00 0.00 36.38 31.80 1sov s VAL 268 CO 0.16 -0.87 0.05 -0.76 0.00 0.00 0.00 175.10 173.68 1sov s LEU 269 N 3.97 0.79 0.23 3.92 1.43 -0.08 -4.95 118.68 123.99 1sov s LEU 269 Ca 0.41 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1sov s LEU 269 Cb -0.09 -0.44 -0.10 0.00 0.03 0.00 0.00 46.19 45.59 1sov s LEU 269 CO 0.28 -0.31 1.50 -2.16 0.23 0.00 0.00 176.35 175.88 1sov s PRO 270 N 1.98 4.23 0.27 1.29 0.04 -1.26 -3.54 135.00 138.01 1sov s PRO 270 Ca 0.01 2.35 -0.21 0.00 0.04 0.00 0.00 61.00 63.19 1sov s PRO 270 Cb -0.16 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1sov s PRO 270 CO -0.08 -0.50 0.74 0.00 0.04 0.00 0.00 177.00 177.20 1sov s SER 272 N -2.93 6.53 0.15 0.00 0.15 -0.00 -1.37 113.70 116.23 1sov s SER 272 Ca 0.11 1.09 0.08 0.00 0.70 0.00 0.00 55.95 57.93 1sov s SER 272 Cb -0.06 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1sov s SER 272 CO 0.07 -1.22 -0.17 0.68 1.20 0.00 0.00 173.24 173.80 1sov s VAL 273 N 4.81 1.64 0.10 4.45 -7.23 -0.56 -1.39 120.40 122.24 1sov s VAL 273 Ca 0.59 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.62 1sov s VAL 273 Cb -0.16 -1.72 -0.07 0.00 0.56 0.00 0.00 36.38 34.99 1sov s VAL 273 CO 0.27 -0.34 1.31 -0.47 -0.31 0.00 0.00 175.10 175.57 1sov s TYR 274 N -2.03 3.32 -0.14 2.82 5.04 -1.26 -2.25 117.35 122.84 1sov s TYR 274 Ca 0.13 1.10 -0.06 0.00 -2.44 0.00 0.00 57.07 55.80 1sov s TYR 274 Cb -0.06 -3.58 -0.04 0.00 0.35 0.00 0.00 41.96 38.64 1sov s TYR 274 CO 0.05 -1.93 0.06 0.00 -1.34 0.00 0.00 175.55 172.39 1sov n GLN 276 N 2.87 2.29 0.00 0.00 6.02 -1.24 -2.13 117.38 125.19 1sov n GLN 276 Ca -0.18 -3.85 0.00 0.00 -0.01 0.00 0.00 57.00 52.96 1sov n GLN 276 Cb 0.53 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.32 1.30 3.75 1.08 0.00 0.50 -5.00 105.19 106.50 1sov n GLY 277 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1sov n GLY 277 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sov s GLU 278 N 0.00 4.21 -2.02 1.61 8.01 -1.25 -1.13 118.70 128.13 1sov s GLU 278 Ca 0.00 2.41 0.00 0.00 0.01 0.00 0.00 54.97 57.39 1sov s GLU 278 Cb 0.00 -3.07 0.00 0.00 -4.31 0.00 0.00 34.13 26.75 1sov s GLU 278 CO 0.00 -0.49 0.00 0.66 0.01 0.00 0.00 175.26 175.44 1sov n TYR 279 N 2.10 0.00 -1.04 1.61 4.01 -1.26 -1.40 117.16 121.18 1sov n TYR 279 Ca 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.79 1sov n TYR 279 Cb 0.39 -3.32 -0.01 0.00 -0.31 0.00 0.00 39.34 36.09 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 -0.35 0.43 3.89 2.72 0.00 -0.28 -5.01 105.19 106.59 1sov n GLY 280 Ca -0.19 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.31 4.38 0.04 0.99 1.43 -0.49 -4.90 118.68 119.82 1sov s LEU 281 Ca 0.00 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1sov s LEU 281 Cb 0.00 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1sov s LEU 281 CO 0.00 0.31 -0.08 -1.00 0.23 0.00 0.00 176.35 175.81 1sov s HIS 282 N -1.22 0.68 -1.61 0.29 3.76 -1.26 -0.37 115.29 115.55 1sov s HIS 282 Ca 0.23 -0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 54.55 1sov s HIS 282 Cb -0.13 -0.41 0.11 0.00 1.11 0.00 0.00 32.58 33.27 1sov s HIS 282 CO 0.13 -0.07 0.74 -3.47 -0.85 0.00 0.00 174.74 171.22 1sov n ASP 283 N 1.59 -2.87 -3.70 1.40 4.64 -0.90 -4.95 116.55 111.75 1sov n ASP 283 Ca -0.22 -0.97 -0.10 0.00 -1.38 0.00 0.00 54.79 52.12 1sov n ASP 283 Cb 0.55 -3.00 -0.04 0.00 -1.04 0.00 0.00 41.12 37.58 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 -6.80 1.21 -0.02 -0.67 0.23 -1.26 -5.01 119.30 106.97 1sov s MET 285 Ca 0.56 -0.81 0.03 0.00 -1.03 0.00 0.00 55.69 54.44 1sov s MET 285 Cb -0.30 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 1sov s MET 285 CO 0.90 -0.49 -0.09 -0.06 -2.03 0.00 0.00 175.02 173.25 1sov s PHE 286 N -3.85 2.83 0.08 3.16 0.40 -1.26 -1.08 117.98 118.27 1sov s PHE 286 Ca 0.07 -0.07 -0.23 0.00 -0.60 0.00 0.00 56.93 56.11 1sov s PHE 286 Cb 0.01 -1.62 0.06 0.00 0.51 0.00 0.00 43.02 41.97 1sov s PHE 286 CO -0.07 0.32 0.55 -1.50 0.70 0.00 0.00 175.22 175.21 1sov s ILE 287 N -0.89 0.02 -0.08 0.64 2.07 -0.96 -4.80 121.20 117.21 1sov s ILE 287 Ca 0.15 -0.19 -0.29 0.00 -1.41 0.00 0.00 60.65 58.90 1sov s ILE 287 Cb -0.11 -1.01 -0.06 0.00 0.13 0.00 0.00 42.46 41.42 1sov s ILE 287 CO 0.04 -0.10 1.75 -0.83 -1.91 0.00 0.00 174.94 173.89 1sov s GLY 288 N -2.21 1.39 0.09 1.50 0.00 -1.01 -1.49 107.32 105.59 1sov s GLY 288 Ca -0.03 0.92 -0.08 0.00 0.00 0.00 0.00 44.72 45.53 1sov s GLY 288 CO -0.05 3.18 0.18 1.08 0.00 0.00 0.00 173.10 177.49 1sov s LEU 289 N 4.62 1.46 0.27 0.66 1.43 -0.47 -0.94 118.68 125.71 1sov s LEU 289 Ca 0.78 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 1sov s LEU 289 Cb -0.34 1.01 -0.10 0.00 0.03 0.00 0.00 46.19 46.79 1sov s LEU 289 CO 0.32 -0.73 1.29 -2.84 0.23 0.00 0.00 176.35 174.62 1sov s PRO 290 N -3.86 4.40 0.11 1.29 0.02 -1.26 -1.42 135.00 134.28 1sov s PRO 290 Ca 0.05 2.11 -0.08 0.00 0.02 0.00 0.00 61.00 63.10 1sov s PRO 290 Cb 0.05 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.43 1sov s PRO 290 CO -0.11 -0.17 0.21 0.00 -0.33 0.00 0.00 177.00 176.61 1sov s ALA 291 N -0.65 -0.11 -0.19 -1.55 0.00 -1.23 -1.16 121.76 116.87 1sov s ALA 291 Ca 0.52 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1sov s ALA 291 Cb -0.38 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1sov s ALA 291 CO 0.46 -0.55 -0.05 0.08 0.00 0.00 0.00 175.76 175.70 1sov s VAL 292 N -3.90 3.52 -0.24 0.00 1.01 -0.09 -0.90 120.40 119.80 1sov s VAL 292 Ca 0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1sov s VAL 292 Cb 0.04 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1sov s VAL 292 CO -0.07 0.45 0.04 -0.63 0.00 0.00 0.00 175.10 174.89 1sov s ILE 293 N 1.02 4.06 0.00 2.22 1.01 -0.02 -0.59 121.20 128.91 1sov s ILE 293 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1sov s ILE 293 Cb -0.15 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1sov s ILE 293 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1sov n GLY 294 N 4.83 4.81 0.13 6.18 0.00 -0.50 -1.36 105.19 119.29 1sov n GLY 294 Ca -0.17 -1.47 0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.03 1.14 -0.02 0.00 -1.24 -0.87 105.19 103.17 1sov n GLY 295 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.68 1.82 6.20 -0.02 0.00 -1.26 -5.01 105.19 106.23 1sov n GLY 296 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.07 0.37 3.54 -0.02 0.00 -0.05 -4.48 105.19 105.62 1sov n GLY 297 Ca 0.18 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 3.78 -0.05 -0.61 -1.09 0.26 -1.41 121.20 122.07 1sov s ILE 298 Ca 0.00 0.32 0.13 0.00 -2.23 0.00 0.00 60.65 58.87 1sov s ILE 298 Cb 0.00 -4.90 -0.10 0.00 -1.58 0.00 0.00 42.46 35.88 1sov s ILE 298 CO 0.00 -1.83 1.18 -0.33 -1.23 0.00 0.00 174.94 172.73 1sov h GLU 299 N 9.98 0.00 -3.18 2.79 5.08 -1.07 -3.46 114.58 124.72 1sov h GLU 299 Ca -0.27 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 1sov h GLU 299 Cb 1.05 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.05 1sov h GLU 299 CO 1.27 0.62 -0.45 -0.65 -1.00 0.00 0.00 179.01 178.80 1sov s GLN 301 N -2.83 0.28 -0.29 2.33 -0.21 -1.19 -4.95 119.66 112.80 1sov s GLN 301 Ca 0.01 0.29 -0.02 0.00 0.02 0.00 0.00 55.36 55.66 1sov s GLN 301 Cb 0.09 0.14 0.04 0.00 1.00 0.00 0.00 33.01 34.27 1sov s GLN 301 CO 0.79 -0.04 -0.01 0.08 -2.12 0.00 0.00 175.29 174.00 1sov s VAL 302 N 0.05 3.03 -0.07 1.09 1.01 -1.26 -0.92 120.40 123.33 1sov s VAL 302 Ca -0.01 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 1sov s VAL 302 Cb -0.02 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1sov s VAL 302 CO 0.00 -0.02 1.08 -0.63 0.00 0.00 0.00 175.10 175.53 1sov s ILE 303 N 1.29 4.58 -0.45 2.22 1.01 -0.31 -5.00 121.20 124.53 1sov s ILE 303 Ca -0.03 1.86 -0.10 0.00 0.00 0.00 0.00 60.65 62.38 1sov s ILE 303 Cb -0.19 -4.20 0.09 0.00 0.01 0.00 0.00 42.46 38.18 1sov s ILE 303 CO -0.02 0.02 0.31 -0.70 0.00 0.00 0.00 174.94 174.55 1sov s GLU 304 N 1.98 2.64 0.41 2.79 2.12 -1.26 -4.45 118.70 122.93 1sov s GLU 304 Ca 0.52 -1.54 -0.22 0.00 0.36 0.00 0.00 54.97 54.09 1sov s GLU 304 Cb -0.21 -3.89 -0.11 0.00 0.26 0.00 0.00 34.13 30.18 1sov s GLU 304 CO 0.20 -1.05 0.95 -0.51 -0.54 0.00 0.00 175.26 174.31 1sov s LEU 305 N 1.45 4.00 -1.33 2.70 1.43 -1.26 -4.96 118.68 120.70 1sov s LEU 305 Ca 0.04 1.71 -0.16 0.00 -1.03 0.00 0.00 54.13 54.69 1sov s LEU 305 Cb -0.24 -4.46 0.08 0.00 0.03 0.00 0.00 46.19 41.60 1sov s LEU 305 CO 0.02 -0.31 1.85 -0.62 0.23 0.00 0.00 176.35 177.52 1sov n GLU 306 N -0.46 3.14 -2.13 1.70 1.02 -1.26 -4.97 120.64 117.68 1sov n GLU 306 Ca 0.06 -3.16 -0.40 0.00 -0.02 0.00 0.00 57.16 53.64 1sov n GLU 306 Cb 0.53 -3.36 -0.02 0.00 -0.02 0.00 0.00 31.44 28.58 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 3.13 4.32 0.94 -4.62 1.43 -1.26 -5.02 118.68 117.60 1sov s LEU 307 Ca 0.50 2.61 -0.12 0.00 -1.03 0.00 0.00 54.13 56.08 1sov s LEU 307 Cb 0.06 -3.80 0.16 0.00 0.03 0.00 0.00 46.19 42.64 1sov s LEU 307 CO 0.02 -0.65 1.13 0.42 0.23 0.00 0.00 176.35 177.49 1sov s THR 308 N -1.23 2.00 0.25 5.49 -4.23 -1.26 -4.76 115.64 111.90 1sov s THR 308 Ca 0.53 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.98 1sov s THR 308 Cb -0.37 -2.67 0.25 0.00 1.34 0.00 0.00 72.50 71.04 1sov s THR 308 CO 0.49 0.00 1.91 0.45 -0.54 0.00 0.00 174.62 176.93 1sov h HIS 309 N -1.63 1.21 -0.40 3.99 -0.00 -1.99 -0.03 115.15 116.30 1sov h HIS 309 Ca -0.52 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 59.85 1sov h HIS 309 Cb 1.33 -0.41 -0.02 0.00 -0.00 0.00 0.00 27.41 28.32 1sov h HIS 309 CO 0.27 0.73 0.11 1.49 -0.00 0.00 0.00 177.93 180.53 1sov h GLU 310 N 1.27 0.62 -0.63 2.45 4.81 -2.00 -1.56 114.58 119.55 1sov h GLU 310 Ca 0.37 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1sov h GLU 310 Cb -0.08 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1sov h GLU 310 CO -0.10 0.64 0.14 0.93 -0.73 0.00 0.00 179.01 179.89 1sov h GLU 311 N 0.50 0.99 -0.81 1.92 5.08 -1.82 -2.17 114.58 118.27 1sov h GLU 311 Ca 0.13 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1sov h GLU 311 Cb 0.29 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1sov h GLU 311 CO -0.00 0.89 0.47 1.96 -1.00 0.00 0.00 179.01 181.33 1sov h GLN 312 N 0.94 1.11 -0.48 2.33 4.20 -0.75 0.24 115.11 122.71 1sov h GLN 312 Ca 0.20 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1sov h GLN 312 Cb 0.36 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1sov h GLN 312 CO 0.00 0.79 0.17 1.49 -0.67 0.00 0.00 178.83 180.62 1sov h GLU 313 N 1.12 0.73 -0.26 1.46 4.81 -0.77 0.24 114.58 121.91 1sov h GLU 313 Ca 0.29 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1sov h GLU 313 Cb -0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1sov h GLU 313 CO -0.05 0.68 0.03 0.00 -0.73 0.00 0.00 179.01 178.94 1sov h PHE 315 N 0.24 1.14 -0.64 0.00 -0.00 -0.28 -1.51 116.94 115.89 1sov h PHE 315 Ca 0.08 0.03 0.14 0.00 -0.00 0.00 0.00 57.97 58.22 1sov h PHE 315 Cb 0.35 -0.38 -0.04 0.00 -0.00 0.00 0.00 35.95 35.89 1sov h PHE 315 CO 0.03 0.67 0.44 -0.09 -0.00 0.00 0.00 178.31 179.36 1sov h ARG 316 N 1.19 0.26 -0.77 1.11 2.43 -0.37 0.53 114.38 118.76 1sov h ARG 316 Ca 0.36 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1sov h ARG 316 Cb -0.03 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1sov h ARG 316 CO -0.11 0.17 0.28 0.87 -1.51 0.00 0.00 179.97 179.68 1sov h LYS 317 N 0.27 1.17 -0.33 0.20 1.57 -1.19 0.15 116.57 118.42 1sov h LYS 317 Ca 0.31 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1sov h LYS 317 Cb 0.84 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1sov h LYS 317 CO -0.07 0.97 -0.05 0.77 -0.57 0.00 0.00 179.45 180.50 1sov h SER 318 N 1.13 0.61 -0.06 0.86 0.02 -0.96 -2.12 113.55 113.03 1sov h SER 318 Ca 0.25 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1sov h SER 318 Cb 0.26 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1sov h SER 318 CO -0.02 0.81 -0.17 0.58 -1.14 0.00 0.00 176.83 176.90 1sov h VAL 319 N 0.39 0.58 -0.84 2.27 2.07 -0.83 -1.39 116.25 118.51 1sov h VAL 319 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 1sov h VAL 319 Cb 0.53 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1sov h VAL 319 CO 0.03 0.00 0.47 0.44 0.02 0.00 0.00 177.57 178.52 1sov h ASP 320 N -0.24 0.63 -0.10 0.57 3.32 -0.63 0.75 116.42 120.72 1sov h ASP 320 Ca 0.07 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1sov h ASP 320 Cb 0.34 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1sov h ASP 320 CO -0.20 0.33 0.04 0.44 -1.72 0.00 0.00 179.24 178.13 1sov h ASP 321 N 0.74 0.05 -0.21 6.45 3.32 -0.69 -0.88 116.42 125.19 1sov h ASP 321 Ca 0.42 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 1sov h ASP 321 Cb 0.47 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1sov h ASP 321 CO -0.29 0.04 0.04 0.58 -1.72 0.00 0.00 179.24 177.90 1sov h VAL 322 N 0.09 1.22 -0.91 -1.35 2.07 -0.64 -1.69 116.25 115.04 1sov h VAL 322 Ca 0.04 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1sov h VAL 322 Cb 0.01 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1sov h VAL 322 CO -0.04 0.22 0.57 0.58 0.02 0.00 0.00 177.57 178.93 1sov h VAL 323 N 0.15 1.04 -0.41 2.57 2.07 -0.76 0.13 116.25 121.05 1sov h VAL 323 Ca 0.06 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 1sov h VAL 323 Cb 0.30 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1sov h VAL 323 CO 0.00 0.19 -0.18 -0.33 0.02 0.00 0.00 177.57 177.27 1sov h GLU 324 N 1.03 0.84 -0.70 1.57 4.39 -0.97 -1.62 114.58 119.12 1sov h GLU 324 Ca 0.40 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1sov h GLU 324 Cb 0.20 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1sov h GLU 324 CO -0.18 1.00 0.20 -0.07 -1.16 0.00 0.00 179.01 178.80 1sov h LEU 325 N 0.66 1.03 -1.32 1.33 3.38 -0.73 -2.48 115.31 117.17 1sov h LEU 325 Ca 0.09 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1sov h LEU 325 Cb 0.74 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1sov h LEU 325 CO 0.06 0.97 -0.14 0.78 0.09 0.00 0.00 178.44 180.20 1sov h ASN 325 N 1.03 0.27 -0.74 -0.43 2.35 -0.60 0.06 115.58 117.52 1sov h ASN 325 Ca 0.22 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1sov h ASN 325 Cb 0.32 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1sov h ASN 325 CO -0.00 0.44 0.37 0.11 -1.65 0.00 0.00 177.43 176.70 1sov h LYS 326 N 0.27 1.05 -0.43 0.81 1.57 -0.84 -0.43 116.57 118.57 1sov h LYS 326 Ca 0.05 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1sov h LYS 326 Cb 0.42 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1sov h LYS 326 CO 0.03 0.81 -0.19 0.77 -0.57 0.00 0.00 179.45 180.29 1sov h SER 327 N 1.03 0.92 -0.27 0.86 0.02 -1.16 -1.80 113.55 113.16 1sov h SER 327 Ca 0.26 -0.40 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1sov h SER 327 Cb 0.09 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.31 1sov h SER 327 CO -0.04 1.11 -0.16 0.25 -1.14 0.00 0.00 176.83 176.85 1sov h LEU 328 N 0.72 -0.54 -0.65 5.07 5.85 -0.35 -1.00 115.31 124.41 1sov h LEU 328 Ca 0.10 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1sov h LEU 328 Cb 0.76 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1sov h LEU 328 CO 0.06 -0.20 0.36 0.00 -0.34 0.00 0.00 178.44 178.32 1sov h ALA 329 N 1.04 0.86 0.00 1.25 0.00 -0.96 -2.43 119.26 119.02 1sov h ALA 329 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sov h ALA 329 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sov h ALA 329 CO -0.36 0.05 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1sov n ALA 330 N -2.34 1.66 0.65 0.00 0.00 -0.38 -5.12 120.51 114.98 1sov n ALA 330 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1sov n ALA 330 Cb 0.16 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.67 1sov n ALA 330 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78