#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pll s ARG 6 N 0.00 0.42 0.58 -1.46 6.06 -1.26 -5.15 118.95 118.14 2pll s ARG 6 Ca 0.00 0.19 -0.17 0.00 -2.50 0.00 0.00 55.73 53.25 2pll s ARG 6 Cb 0.00 -0.29 -0.04 0.00 0.06 0.00 0.00 34.95 34.68 2pll s ARG 6 CO 0.00 -1.00 1.09 0.95 -2.50 0.00 0.00 175.30 173.84 2pll s THR 7 N 2.56 3.48 0.11 4.11 -4.23 -1.26 -4.23 115.64 116.18 2pll s THR 7 Ca 0.10 0.79 0.10 0.00 -1.18 0.00 0.00 61.69 61.49 2pll s THR 7 Cb -0.13 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 2pll s THR 7 CO -0.29 -0.33 -0.23 -0.63 -0.54 0.00 0.00 174.62 172.60 2pll s ILE 8 N -2.17 2.51 -0.34 2.99 -1.09 -0.74 -0.84 121.20 121.53 2pll s ILE 8 Ca 0.67 -1.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 2pll s ILE 8 Cb -0.19 -2.11 0.11 0.00 -1.58 0.00 0.00 42.46 38.68 2pll s ILE 8 CO 0.33 0.14 0.11 -0.83 -1.23 0.00 0.00 174.94 173.46 2pll s GLY 9 N -1.96 1.29 -0.02 6.18 0.00 0.63 -2.66 107.32 110.77 2pll s GLY 9 Ca 0.15 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 42.63 2pll s GLY 9 CO 0.07 1.51 1.10 -0.42 0.00 0.00 0.00 173.10 175.36 2pll s ILE 10 N 1.31 4.48 -0.15 0.90 -1.09 -1.21 -1.29 121.20 124.16 2pll s ILE 10 Ca 0.11 1.78 -0.01 0.00 -2.23 0.00 0.00 60.65 60.31 2pll s ILE 10 Cb -0.19 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.59 2pll s ILE 10 CO -0.19 0.07 -0.06 -0.63 -1.23 0.00 0.00 174.94 172.91 2pll s ILE 11 N 1.57 1.07 0.00 2.92 1.01 -0.14 0.40 121.20 128.03 2pll s ILE 11 Ca 0.54 -0.54 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 2pll s ILE 11 Cb -0.23 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2pll s ILE 11 CO 0.24 0.18 0.74 -0.83 0.00 0.00 0.00 174.94 175.27 2pll s GLY 12 N 1.66 2.73 -0.57 6.18 0.00 -0.19 -1.58 107.32 115.55 2pll s GLY 12 Ca 0.02 0.23 0.06 0.00 0.00 0.00 0.00 44.72 45.02 2pll s GLY 12 CO -0.08 1.12 0.54 0.00 0.00 0.00 0.00 173.10 174.69 2pll n ALA 13 N 3.17 3.32 -2.29 3.20 0.00 -0.41 -1.04 120.51 126.46 2pll n ALA 13 Ca -0.02 -4.11 -0.38 0.00 0.00 0.00 0.00 53.44 48.94 2pll n ALA 13 Cb 0.51 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 2pll n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pll n PRO 14 N 1.70 2.55 -4.34 0.00 -0.04 -1.26 -1.93 135.00 131.67 2pll n PRO 14 Ca 0.25 -2.89 -0.19 0.00 -0.04 0.00 0.00 63.50 60.63 2pll n PRO 14 Cb 0.43 -3.54 -0.14 0.00 -0.04 0.00 0.00 33.50 30.21 2pll n PRO 14 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2pll s PHE 15 N 6.57 0.96 0.00 0.54 5.36 -1.26 -4.86 117.98 125.30 2pll s PHE 15 Ca 0.59 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 2pll s PHE 15 Cb 0.03 -0.59 0.00 0.00 -0.34 0.00 0.00 43.02 42.12 2pll s PHE 15 CO 0.09 -0.01 0.26 -1.13 -1.46 0.00 0.00 175.22 172.97 2pll n SER 16 N 2.36 0.00 0.00 6.13 3.41 -1.26 -2.30 113.62 121.96 2pll n SER 16 Ca -0.16 -1.00 0.06 0.00 -0.26 0.00 0.00 58.87 57.51 2pll n SER 16 Cb 0.56 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.80 2pll n SER 16 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pll n LYS 17 N 0.00 0.09 0.00 4.33 4.76 -1.26 -2.19 118.16 123.89 2pll n LYS 17 Ca 0.00 0.23 0.10 0.00 -2.87 0.00 0.00 58.31 55.77 2pll n LYS 17 Cb 0.40 -1.50 0.50 0.00 -1.84 0.00 0.00 35.03 32.58 2pll n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pll n GLY 18 N -0.21 -1.12 3.71 0.72 0.00 -1.26 -4.68 105.19 102.35 2pll n GLY 18 Ca 0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2pll n GLY 18 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pll s GLN 19 N -2.80 1.76 0.10 1.61 1.03 -0.93 -1.00 119.66 119.43 2pll s GLN 19 Ca 0.15 -1.23 -0.23 0.00 0.04 0.00 0.00 55.36 54.10 2pll s GLN 19 Cb 0.14 0.54 -0.13 0.00 0.03 0.00 0.00 33.01 33.60 2pll s GLN 19 CO 0.36 -0.77 1.73 -1.35 -2.54 0.00 0.00 175.29 172.71 2pll h PRO 20 N 2.12 -0.04 -6.50 9.60 0.11 -1.89 -3.45 132.00 131.95 2pll h PRO 20 Ca -0.24 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.34 2pll h PRO 20 Cb 1.25 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2pll h PRO 20 CO 0.32 -0.03 0.46 1.03 -0.21 0.00 0.00 178.00 179.57 2pll s ARG 21 N -6.19 4.53 0.00 1.05 0.52 -1.26 -4.97 118.95 112.64 2pll s ARG 21 Ca -0.13 1.61 0.27 0.00 -0.52 0.00 0.00 55.73 56.96 2pll s ARG 21 Cb 0.07 -3.38 0.90 0.00 0.52 0.00 0.00 34.95 33.07 2pll s ARG 21 CO 0.66 -0.08 1.66 0.41 0.02 0.00 0.00 175.30 177.97 2pll n GLY 22 N 2.81 -0.90 0.29 -3.53 0.00 -1.26 -4.35 105.19 98.25 2pll n GLY 22 Ca 0.06 -0.33 0.17 0.00 0.00 0.00 0.00 46.02 45.92 2pll n GLY 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pll h GLY 23 N 4.96 0.00 2.00 -0.02 0.00 -1.96 -2.89 103.07 105.16 2pll h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pll h GLY 23 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 176.54 176.15 2pll h VAL 24 N 0.00 0.00 0.00 4.60 -1.51 -1.76 -1.55 116.25 116.03 2pll h VAL 24 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2pll h VAL 24 Cb 0.31 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 2pll h VAL 24 CO 0.01 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 176.02 2pll h GLU 25 N 0.00 0.00 -0.03 5.19 5.08 -1.70 -1.67 114.58 121.45 2pll h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pll h GLU 25 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2pll h GLU 25 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 2pll n GLU 26 N -2.86 1.71 -0.01 2.33 -0.58 -0.58 -4.39 120.64 116.25 2pll n GLU 26 Ca -0.01 -1.04 -0.09 0.00 -0.42 0.00 0.00 57.16 55.60 2pll n GLU 26 Cb 0.17 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 2pll n GLU 26 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2pll h GLY 27 N 4.86 -0.10 0.40 0.62 0.00 -1.46 -1.99 103.07 105.39 2pll h GLY 27 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.67 2pll h GLY 27 CO 0.00 -0.17 0.47 -2.55 0.00 0.00 0.00 176.54 174.29 2pll h PRO 28 N -0.21 0.71 0.72 4.80 0.11 -1.73 -2.09 132.00 134.31 2pll h PRO 28 Ca 0.11 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 2pll h PRO 28 Cb 0.37 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.32 2pll h PRO 28 CO -0.28 0.47 -0.35 1.15 -0.21 0.00 0.00 178.00 178.78 2pll h THR 29 N 0.74 0.01 -0.73 -1.15 2.02 -1.75 -2.18 112.91 109.86 2pll h THR 29 Ca 0.43 -0.29 0.10 0.00 0.77 0.00 0.00 66.41 67.42 2pll h THR 29 Cb 0.49 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 2pll h THR 29 CO -0.29 0.00 0.48 0.58 0.37 0.00 0.00 175.52 176.66 2pll h VAL 30 N -1.26 0.93 -0.44 3.16 2.07 -1.35 0.18 116.25 119.55 2pll h VAL 30 Ca -0.10 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 2pll h VAL 30 Cb 0.75 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2pll h VAL 30 CO 0.16 0.11 -0.13 -0.07 0.02 0.00 0.00 177.57 177.67 2pll h LEU 31 N 0.62 0.87 -0.34 2.57 3.38 -1.40 -1.96 115.31 119.04 2pll h LEU 31 Ca 0.34 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2pll h LEU 31 Cb 0.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2pll h LEU 31 CO -0.12 1.04 -0.22 0.03 0.09 0.00 0.00 178.44 179.26 2pll h ARG 32 N 0.69 0.76 0.00 1.13 3.08 -0.52 -2.61 114.38 116.91 2pll h ARG 32 Ca 0.11 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2pll h ARG 32 Cb 0.68 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2pll h ARG 32 CO 0.05 0.98 0.00 1.63 -1.07 0.00 0.00 179.97 181.55 2pll n LYS 33 N -4.27 0.27 0.03 0.04 5.02 0.51 -1.70 118.16 118.06 2pll n LYS 33 Ca -0.03 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.50 2pll n LYS 33 Cb 0.44 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.25 2pll n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pll n ALA 34 N -1.26 3.00 -0.16 7.82 0.00 -0.74 -4.92 120.51 124.25 2pll n ALA 34 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2pll n ALA 34 Cb 0.13 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2pll n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pll n GLY 35 N 1.43 0.91 0.49 0.00 0.00 -0.69 -5.01 105.19 102.32 2pll n GLY 35 Ca 0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 2pll n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pll h LEU 36 N 0.00 -1.54 0.05 0.99 5.85 -1.64 0.46 115.31 119.49 2pll h LEU 36 Ca 0.00 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2pll h LEU 36 Cb 0.00 0.55 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2pll h LEU 36 CO 0.00 -0.60 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.01 2pll h LEU 37 N -0.84 -1.26 -1.95 2.25 3.38 -1.85 -1.04 115.31 113.99 2pll h LEU 37 Ca -0.03 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.16 2pll h LEU 37 Cb 0.80 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2pll h LEU 37 CO -0.21 -0.47 0.20 -0.33 0.09 0.00 0.00 178.44 177.71 2pll h GLU 38 N -0.61 0.06 0.00 1.13 3.07 -1.89 -1.24 114.58 115.09 2pll h GLU 38 Ca 0.03 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.79 2pll h GLU 38 Cb 0.67 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2pll h GLU 38 CO -0.28 0.04 -0.47 0.87 -1.40 0.00 0.00 179.01 177.76 2pll h LYS 39 N 0.07 0.00 -0.05 2.33 1.57 -0.15 -2.59 116.57 117.74 2pll h LYS 39 Ca 0.13 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.71 2pll h LYS 39 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.76 2pll h LYS 39 CO -0.01 0.47 -0.76 -0.07 -0.57 0.00 0.00 179.45 178.52 2pll h LEU 40 N 0.00 0.74 -0.95 2.94 3.38 -0.05 -3.16 115.31 118.22 2pll h LEU 40 Ca -0.00 -0.71 -0.06 0.00 0.09 0.00 0.00 57.88 57.20 2pll h LEU 40 Cb 1.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2pll h LEU 40 CO 0.06 1.35 0.15 0.11 0.09 0.00 0.00 178.44 180.20 2pll h LYS 41 N 0.21 0.92 0.00 1.13 1.57 -1.41 0.67 116.57 119.65 2pll h LYS 41 Ca -0.08 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2pll h LYS 41 Cb 1.42 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2pll h LYS 41 CO 0.15 0.82 0.00 0.39 -0.57 0.00 0.00 179.45 180.24 2pll n GLU 42 N -4.26 0.01 -0.49 3.15 1.02 -0.98 -4.56 120.64 114.52 2pll n GLU 42 Ca 0.04 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 2pll n GLU 42 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2pll n GLU 42 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2pll n GLN 43 N -1.48 1.14 -0.31 3.49 7.27 0.23 -4.97 117.38 122.74 2pll n GLN 43 Ca 0.01 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.11 2pll n GLN 43 Cb 0.06 0.00 0.15 0.00 2.41 0.00 0.00 30.24 32.86 2pll n GLN 43 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2pll n GLU 44 N -0.73 2.37 -4.42 3.69 -0.00 -1.26 -4.91 120.64 115.38 2pll n GLU 44 Ca 0.00 -1.17 -0.30 0.00 -0.00 0.00 0.00 57.16 55.69 2pll n GLU 44 Cb 0.00 -1.71 -0.11 0.00 -0.00 0.00 0.00 31.44 29.61 2pll n GLU 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pll s ASP 46 N -1.83 6.03 0.29 0.00 1.01 -1.26 -4.22 116.67 116.68 2pll s ASP 46 Ca 0.18 -1.02 -0.09 0.00 0.71 0.00 0.00 52.55 52.32 2pll s ASP 46 Cb -0.11 -2.13 -0.07 0.00 1.01 0.00 0.00 42.92 41.63 2pll s ASP 46 CO 0.09 -0.48 0.61 -0.69 0.21 0.00 0.00 175.17 174.91 2pll s VAL 47 N 1.64 4.91 -0.40 -1.27 1.01 -1.26 -1.78 120.40 123.24 2pll s VAL 47 Ca 0.04 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.48 2pll s VAL 47 Cb -0.20 -3.67 0.16 0.00 0.00 0.00 0.00 36.38 32.67 2pll s VAL 47 CO 0.08 -0.25 0.43 -0.54 0.00 0.00 0.00 175.10 174.83 2pll s LYS 48 N -3.26 0.74 -0.05 2.72 -0.14 -1.09 -4.94 119.74 113.71 2pll s LYS 48 Ca 0.48 -0.98 -0.30 0.00 -1.36 0.00 0.00 55.97 53.80 2pll s LYS 48 Cb -0.11 -0.66 -0.08 0.00 -1.68 0.00 0.00 37.83 35.30 2pll s LYS 48 CO 0.25 -1.23 2.04 -3.47 -0.76 0.00 0.00 175.35 172.18 2pll n ASP 49 N 3.95 3.84 -0.87 2.83 -0.08 -1.26 -3.31 116.55 121.65 2pll n ASP 49 Ca 0.14 0.71 0.04 0.00 -1.51 0.00 0.00 54.79 54.17 2pll n ASP 49 Cb 0.48 -1.52 0.16 0.00 2.34 0.00 0.00 41.12 42.58 2pll n ASP 49 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2pll n TYR 50 N 8.67 0.69 -4.43 -0.67 4.02 0.16 -4.92 117.16 120.68 2pll n TYR 50 Ca 0.23 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2pll n TYR 50 Cb 0.41 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 2pll n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pll n GLY 51 N 0.61 -1.45 3.56 2.72 0.00 -1.25 -4.85 105.19 104.53 2pll n GLY 51 Ca 0.11 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 2pll n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pll s ASP 52 N -4.00 4.47 0.23 1.61 1.01 -1.26 -1.03 116.67 117.71 2pll s ASP 52 Ca 0.00 -0.09 -0.30 0.00 0.71 0.00 0.00 52.55 52.87 2pll s ASP 52 Cb 0.00 -1.06 -0.09 0.00 1.01 0.00 0.00 42.92 42.78 2pll s ASP 52 CO 0.00 0.34 1.14 -0.76 0.21 0.00 0.00 175.17 176.10 2pll s LEU 53 N -0.89 4.50 -0.86 1.23 1.43 -0.21 -4.91 118.68 118.98 2pll s LEU 53 Ca 0.13 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.30 2pll s LEU 53 Cb -0.11 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.66 2pll s LEU 53 CO 0.02 -0.24 0.95 -2.16 0.23 0.00 0.00 176.35 175.15 2pll s PRO 54 N -0.88 3.55 -0.53 1.29 0.04 -1.26 -4.61 135.00 132.60 2pll s PRO 54 Ca 0.48 -1.99 -0.28 0.00 0.04 0.00 0.00 61.00 59.26 2pll s PRO 54 Cb -0.32 -4.66 0.01 0.00 0.04 0.00 0.00 34.50 29.57 2pll s PRO 54 CO 0.39 -1.57 1.49 -0.06 0.04 0.00 0.00 177.00 177.29 2pll s PHE 55 N 1.72 2.20 0.32 0.56 0.08 -1.26 -4.98 117.98 116.61 2pll s PHE 55 Ca 0.25 0.54 -0.29 0.00 0.12 0.00 0.00 56.93 57.55 2pll s PHE 55 Cb -0.09 -4.33 -0.10 0.00 -0.57 0.00 0.00 43.02 37.92 2pll s PHE 55 CO -0.08 -2.09 1.40 0.00 -0.10 0.00 0.00 175.22 174.36 2pll s ALA 56 N 6.34 3.56 0.58 5.36 0.00 -1.26 -4.97 121.76 131.38 2pll s ALA 56 Ca 0.57 1.37 -0.19 0.00 0.00 0.00 0.00 51.96 53.71 2pll s ALA 56 Cb -0.12 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 2pll s ALA 56 CO 0.26 -0.79 1.21 0.34 0.00 0.00 0.00 175.76 176.79 2pll s ASP 57 N -0.12 5.31 -0.56 0.00 3.68 -1.26 -5.01 116.67 118.71 2pll s ASP 57 Ca 0.53 2.40 0.04 0.00 2.13 0.00 0.00 52.55 57.65 2pll s ASP 57 Cb -0.42 -2.60 0.16 0.00 -1.45 0.00 0.00 42.92 38.60 2pll s ASP 57 CO 0.52 -1.51 0.37 -0.63 0.13 0.00 0.00 175.17 174.05 2pll s ILE 58 N -1.58 1.95 0.30 4.11 -1.09 -1.26 -5.01 121.20 118.63 2pll s ILE 58 Ca 0.76 -3.40 0.03 0.00 -2.23 0.00 0.00 60.65 55.80 2pll s ILE 58 Cb -0.31 -2.32 0.35 0.00 -1.58 0.00 0.00 42.46 38.61 2pll s ILE 58 CO 0.34 -1.00 1.61 -0.65 -1.23 0.00 0.00 174.94 174.00 2pll h PRO 59 N 5.90 0.10 -3.70 2.79 0.11 -2.04 -3.26 132.00 131.90 2pll h PRO 59 Ca 0.11 -0.01 -0.77 0.00 0.11 0.00 0.00 66.00 65.44 2pll h PRO 59 Cb 0.84 -0.02 -0.29 0.00 0.11 0.00 0.00 31.00 31.65 2pll h PRO 59 CO 0.58 0.06 0.05 -0.80 -0.21 0.00 0.00 178.00 177.69 2pll s ASN 60 N -5.01 6.51 -0.55 -2.05 0.01 -1.26 -4.91 114.94 107.68 2pll s ASN 60 Ca -0.12 -2.94 0.07 0.00 -0.71 0.00 0.00 52.86 49.16 2pll s ASN 60 Cb 0.28 -2.12 0.27 0.00 0.41 0.00 0.00 41.25 40.08 2pll s ASN 60 CO 0.77 -0.46 0.71 -0.67 -1.51 0.00 0.00 177.10 175.94 2pll n ASP 61 N 3.56 2.72 -4.76 -1.22 -0.08 -1.23 -5.03 116.55 110.51 2pll n ASP 61 Ca 0.15 -3.25 -0.39 0.00 -1.51 0.00 0.00 54.79 49.79 2pll n ASP 61 Cb 0.43 -0.65 0.03 0.00 2.34 0.00 0.00 41.12 43.27 2pll n ASP 61 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2pll s SER 62 N -2.26 5.59 0.73 1.67 0.01 -1.26 -4.26 113.70 113.92 2pll s SER 62 Ca 0.40 2.74 -0.16 0.00 1.31 0.00 0.00 55.95 60.24 2pll s SER 62 Cb 0.18 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2pll s SER 62 CO -0.06 -1.35 1.26 -2.84 0.41 0.00 0.00 173.24 170.66 2pll s PRO 63 N -2.73 2.08 -0.46 12.44 0.02 -1.26 -4.69 135.00 140.40 2pll s PRO 63 Ca 0.67 1.93 -0.12 0.00 0.02 0.00 0.00 61.00 63.50 2pll s PRO 63 Cb -0.40 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.41 2pll s PRO 63 CO 0.48 -1.92 0.35 0.12 -0.33 0.00 0.00 177.00 175.70 2pll s PHE 64 N -1.74 3.32 0.00 6.54 5.36 0.13 -4.89 117.98 126.70 2pll s PHE 64 Ca 0.78 -1.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.34 2pll s PHE 64 Cb -0.34 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.08 2pll s PHE 64 CO 0.45 -0.89 0.00 1.04 -1.46 0.00 0.00 175.22 174.36 2pll n GLN 65 N 5.04 0.00 -0.01 10.12 6.02 -1.26 -0.05 117.38 137.24 2pll n GLN 65 Ca -0.11 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.99 2pll n GLN 65 Cb 0.42 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.53 2pll n GLN 65 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2pll n ILE 66 N 0.00 0.00 -2.39 5.09 3.06 -1.26 -4.96 119.36 118.91 2pll n ILE 66 Ca 0.00 -0.38 -0.42 0.00 -2.50 0.00 0.00 62.75 59.44 2pll n ILE 66 Cb 0.00 0.22 -0.03 0.00 0.54 0.00 0.00 39.64 40.38 2pll n ILE 66 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 2pll s VAL 67 N -3.34 4.05 0.14 9.51 1.01 0.93 -4.41 120.40 128.29 2pll s VAL 67 Ca -0.04 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.33 2pll s VAL 67 Cb 0.14 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2pll s VAL 67 CO 0.86 0.02 0.34 -0.54 0.00 0.00 0.00 175.10 175.79 2pll s LYS 68 N 1.99 3.55 -1.61 2.72 1.02 -0.96 0.22 119.74 126.67 2pll s LYS 68 Ca 0.59 -0.25 -0.12 0.00 0.02 0.00 0.00 55.97 56.20 2pll s LYS 68 Cb -0.28 -2.89 0.11 0.00 -0.52 0.00 0.00 37.83 34.25 2pll s LYS 68 CO 0.25 0.48 0.67 0.09 -0.92 0.00 0.00 175.35 175.91 2pll n ASN 69 N -0.11 -2.41 -0.05 2.83 3.02 -1.26 -4.69 115.26 112.60 2pll n ASN 69 Ca -0.04 -1.01 0.02 0.00 -0.03 0.00 0.00 54.58 53.53 2pll n ASN 69 Cb 0.52 -2.87 0.35 0.00 -0.61 0.00 0.00 39.78 37.18 2pll n ASN 69 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2pll h PRO 70 N -1.64 0.64 0.01 3.52 0.13 -1.84 -1.01 132.00 131.82 2pll h PRO 70 Ca -0.60 -0.06 -0.23 0.00 -0.87 0.00 0.00 66.00 64.24 2pll h PRO 70 Cb 1.38 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2pll h PRO 70 CO 0.73 0.47 -0.96 0.00 -0.23 0.00 0.00 178.00 178.01 2pll h ARG 71 N 0.65 0.39 0.17 0.86 3.08 -1.89 -0.27 114.38 117.37 2pll h ARG 71 Ca 0.17 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 2pll h ARG 71 Cb 0.01 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2pll h ARG 71 CO -0.03 1.11 -0.08 0.77 -1.07 0.00 0.00 179.97 180.67 2pll h SER 72 N 0.21 -0.19 -0.08 7.04 0.02 -1.84 -0.76 113.55 117.94 2pll h SER 72 Ca -0.08 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2pll h SER 72 Cb 1.61 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 2pll h SER 72 CO 0.16 0.21 -0.00 0.58 -1.14 0.00 0.00 176.83 176.64 2pll h VAL 73 N -0.62 1.12 -0.08 2.27 2.07 -1.26 -0.41 116.25 119.33 2pll h VAL 73 Ca -0.02 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 2pll h VAL 73 Cb 0.46 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2pll h VAL 73 CO 0.04 0.15 -0.43 1.23 0.02 0.00 0.00 177.57 178.58 2pll h GLY 74 N 0.51 0.48 1.21 2.17 0.00 -0.94 -2.72 103.07 103.79 2pll h GLY 74 Ca 0.06 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.57 2pll h GLY 74 CO 0.00 0.60 -0.33 1.70 0.00 0.00 0.00 176.54 178.52 2pll h LYS 75 N -0.02 0.88 -0.40 4.80 1.63 -0.94 -1.70 116.57 120.81 2pll h LYS 75 Ca -0.03 -0.42 0.04 0.00 -0.85 0.00 0.00 60.65 59.38 2pll h LYS 75 Cb 1.08 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.67 2pll h LYS 75 CO 0.09 1.07 0.18 0.00 -3.45 0.00 0.00 179.45 177.34 2pll h ALA 76 N 0.89 0.49 -0.14 5.00 0.00 -1.13 0.59 119.26 124.96 2pll h ALA 76 Ca 0.07 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2pll h ALA 76 Cb 0.89 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2pll h ALA 76 CO 0.08 -0.20 -0.64 0.77 0.00 0.00 0.00 179.25 179.26 2pll h SER 77 N 0.36 0.59 -0.74 0.00 0.02 -1.45 -2.31 113.55 110.02 2pll h SER 77 Ca 0.18 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2pll h SER 77 Cb 0.12 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2pll h SER 77 CO -0.15 1.07 0.34 -0.08 -1.14 0.00 0.00 176.83 176.88 2pll h GLU 78 N 0.37 1.09 -0.20 3.45 4.81 -0.83 -0.38 114.58 122.89 2pll h GLU 78 Ca -0.01 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2pll h GLU 78 Cb 1.20 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2pll h GLU 78 CO 0.12 0.85 0.03 1.96 -0.73 0.00 0.00 179.01 181.24 2pll h GLN 79 N 1.08 0.33 -0.26 1.92 4.20 -0.80 -3.02 115.11 118.57 2pll h GLN 79 Ca 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2pll h GLN 79 Cb 0.14 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2pll h GLN 79 CO -0.03 0.50 0.17 1.25 -0.67 0.00 0.00 178.83 180.05 2pll h LEU 80 N 0.12 0.29 -1.17 1.46 5.85 -1.04 -2.09 115.31 118.74 2pll h LEU 80 Ca 0.06 -0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.96 2pll h LEU 80 Cb 0.33 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 2pll h LEU 80 CO 0.00 0.21 0.61 0.00 -0.34 0.00 0.00 178.44 178.93 2pll h ALA 81 N 1.10 1.83 -0.07 1.25 0.00 -0.88 0.17 119.26 122.65 2pll h ALA 81 Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2pll h ALA 81 Cb -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2pll h ALA 81 CO -0.02 -0.15 -0.03 0.78 0.00 0.00 0.00 179.25 179.82 2pll h GLY 82 N 0.68 0.16 2.00 0.00 0.00 -1.27 -1.97 103.07 102.68 2pll h GLY 82 Ca 0.53 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 2pll h GLY 82 CO -0.30 0.13 -0.17 0.50 0.00 0.00 0.00 176.54 176.71 2pll h LYS 83 N -0.22 0.00 0.03 4.80 1.79 -0.59 -2.35 116.57 120.03 2pll h LYS 83 Ca 0.02 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2pll h LYS 83 Cb 0.46 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2pll h LYS 83 CO 0.01 0.17 -0.21 0.28 -1.08 0.00 0.00 179.45 178.62 2pll h VAL 84 N 0.00 1.66 -0.63 0.50 2.07 -0.66 -2.70 116.25 116.49 2pll h VAL 84 Ca -0.00 -2.22 0.15 0.00 0.82 0.00 0.00 66.70 65.45 2pll h VAL 84 Cb 0.37 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.25 2pll h VAL 84 CO 0.02 0.59 0.44 0.00 0.02 0.00 0.00 177.57 178.64 2pll h ALA 85 N 0.11 2.35 -0.06 1.67 0.00 -1.24 0.12 119.26 122.20 2pll h ALA 85 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2pll h ALA 85 Cb 1.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2pll h ALA 85 CO 0.04 -0.52 -0.01 1.49 0.00 0.00 0.00 179.25 180.25 2pll h GLU 86 N 0.18 0.11 -0.53 0.00 4.57 -1.41 0.67 114.58 118.17 2pll h GLU 86 Ca 0.30 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.36 2pll h GLU 86 Cb 0.95 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 2pll h GLU 86 CO -0.05 0.41 -0.02 -0.39 -1.18 0.00 0.00 179.01 177.78 2pll h VAL 87 N -0.20 1.26 -0.55 0.32 -1.51 -0.84 -1.32 116.25 113.41 2pll h VAL 87 Ca 0.02 -1.11 -0.01 0.00 -1.23 0.00 0.00 66.70 64.37 2pll h VAL 87 Cb 0.37 0.87 -0.03 0.00 -2.13 0.00 0.00 31.29 30.37 2pll h VAL 87 CO 0.00 0.39 0.31 0.11 -1.23 0.00 0.00 177.57 177.16 2pll h LYS 88 N 0.84 0.76 0.00 5.19 1.79 -0.73 -1.26 116.57 123.17 2pll h LYS 88 Ca 0.15 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2pll h LYS 88 Cb 0.53 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2pll h LYS 88 CO 0.03 0.58 -0.20 0.87 -1.08 0.00 0.00 179.45 179.65 2pll h LYS 89 N 0.74 0.00 -0.10 3.15 1.57 -0.47 0.25 116.57 121.72 2pll h LYS 89 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2pll h LYS 89 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2pll h LYS 89 CO -0.03 0.20 0.00 0.09 -0.57 0.00 0.00 179.45 179.14 2pll n ASN 90 N -3.98 0.58 -1.17 0.86 3.02 -0.53 -4.88 115.26 109.16 2pll n ASN 90 Ca -0.02 -1.88 -0.11 0.00 -0.03 0.00 0.00 54.58 52.53 2pll n ASN 90 Cb 0.28 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 2pll n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pll n GLY 91 N 0.73 0.34 3.67 7.41 0.00 0.08 -5.03 105.19 112.38 2pll n GLY 91 Ca 0.06 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 2pll n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pll s ARG 92 N -4.05 2.38 -0.16 1.61 0.52 -0.60 -4.64 118.95 114.01 2pll s ARG 92 Ca 0.00 -1.34 -0.28 0.00 -0.52 0.00 0.00 55.73 53.59 2pll s ARG 92 Cb 0.00 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 2pll s ARG 92 CO 0.00 0.38 0.97 0.42 0.02 0.00 0.00 175.30 177.09 2pll s ILE 93 N -2.23 4.78 0.02 1.52 1.01 -0.02 -4.11 121.20 122.18 2pll s ILE 93 Ca 0.31 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.58 2pll s ILE 93 Cb -0.07 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 2pll s ILE 93 CO 0.20 -0.04 1.17 -0.94 0.00 0.00 0.00 174.94 175.33 2pll s SER 94 N 1.15 7.11 -0.28 3.58 1.04 -1.02 -0.27 113.70 125.01 2pll s SER 94 Ca 0.44 1.92 0.01 0.00 0.48 0.00 0.00 55.95 58.80 2pll s SER 94 Cb -0.17 -2.57 0.08 0.00 0.10 0.00 0.00 66.02 63.46 2pll s SER 94 CO 0.13 -0.47 0.01 -0.22 0.98 0.00 0.00 173.24 173.66 2pll s LEU 95 N 1.34 3.12 -0.35 2.42 0.20 -0.41 -0.28 118.68 124.72 2pll s LEU 95 Ca 0.57 -1.55 -0.15 0.00 0.69 0.00 0.00 54.13 53.70 2pll s LEU 95 Cb -0.27 -1.24 -0.01 0.00 -0.43 0.00 0.00 46.19 44.24 2pll s LEU 95 CO 0.27 -0.31 0.33 -0.69 -0.29 0.00 0.00 176.35 175.66 2pll s VAL 96 N 1.30 5.20 -0.85 1.68 1.01 0.69 -0.97 120.40 128.45 2pll s VAL 96 Ca 0.02 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2pll s VAL 96 Cb -0.19 -3.81 0.19 0.00 0.00 0.00 0.00 36.38 32.57 2pll s VAL 96 CO -0.11 -0.10 0.89 -0.76 0.00 0.00 0.00 175.10 175.02 2pll s LEU 97 N 1.93 6.15 0.00 3.92 1.43 -0.61 -0.54 118.68 130.96 2pll s LEU 97 Ca 0.10 -2.44 0.00 0.00 -1.03 0.00 0.00 54.13 50.76 2pll s LEU 97 Cb -0.17 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2pll s LEU 97 CO 0.11 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.55 2pll n GLY 98 N 4.53 1.44 0.00 -3.19 0.00 -0.93 -1.28 105.19 105.76 2pll n GLY 98 Ca 0.16 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2pll n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pll n GLY 99 N 5.00 0.73 3.83 -0.02 0.00 -0.81 -4.20 105.19 109.72 2pll n GLY 99 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2pll n GLY 99 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2pll s ASP 100 N -0.07 6.75 0.00 1.61 1.47 -0.97 -0.33 116.67 125.12 2pll s ASP 100 Ca 0.00 1.61 0.05 0.00 1.18 0.00 0.00 52.55 55.39 2pll s ASP 100 Cb 0.00 -2.52 0.31 0.00 -0.34 0.00 0.00 42.92 40.37 2pll s ASP 100 CO 0.00 -0.49 0.83 1.57 0.68 0.00 0.00 175.17 177.76 2pll n HIS 101 N -1.20 0.00 0.27 2.11 -0.00 -1.26 -2.55 115.22 112.58 2pll n HIS 101 Ca 0.07 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.94 2pll n HIS 101 Cb 0.54 -0.05 0.64 0.00 -0.00 0.00 0.00 29.99 31.12 2pll n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2pll h SER 102 N 0.00 0.00 0.55 0.26 4.64 -1.78 -2.19 113.55 115.04 2pll h SER 102 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pll h SER 102 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2pll h SER 102 CO 0.00 0.05 0.00 -0.07 -0.87 0.00 0.00 176.83 175.94 2pll h LEU 103 N 0.00 0.00 -1.93 5.97 3.38 -1.86 -2.74 115.31 118.14 2pll h LEU 103 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pll h LEU 103 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2pll h LEU 103 CO 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.53 2pll h ALA 104 N 2.16 1.94 -0.05 1.53 0.00 -1.65 -2.00 119.26 121.21 2pll h ALA 104 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2pll h ALA 104 Cb 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2pll h ALA 104 CO 0.00 0.04 -0.18 0.82 0.00 0.00 0.00 179.25 179.93 2pll h ILE 105 N 0.03 0.56 -0.45 0.00 2.04 -1.71 -1.86 117.51 116.12 2pll h ILE 105 Ca 0.01 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.73 2pll h ILE 105 Cb 0.04 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2pll h ILE 105 CO 0.00 0.00 -0.26 1.23 0.00 0.00 0.00 178.15 179.12 2pll h GLY 106 N -0.27 1.06 0.94 5.37 0.00 -1.53 -2.21 103.07 106.42 2pll h GLY 106 Ca 0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 2pll h GLY 106 CO -0.20 0.89 -0.17 0.23 0.00 0.00 0.00 176.54 177.29 2pll h SER 107 N 0.82 -0.41 0.14 0.19 0.87 -1.18 0.30 113.55 114.28 2pll h SER 107 Ca 0.09 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 2pll h SER 107 Cb 0.85 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2pll h SER 107 CO 0.08 -0.27 -0.40 0.40 -0.53 0.00 0.00 176.83 176.10 2pll h ILE 108 N -0.43 1.31 -0.24 2.23 2.04 -1.43 -1.42 117.51 119.56 2pll h ILE 108 Ca -0.03 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 2pll h ILE 108 Cb 0.35 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2pll h ILE 108 CO 0.04 0.46 -0.02 0.28 0.00 0.00 0.00 178.15 178.91 2pll h SER 109 N 0.28 0.43 -0.18 1.72 0.02 -1.22 0.11 113.55 114.71 2pll h SER 109 Ca 0.03 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.56 2pll h SER 109 Cb 0.83 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2pll h SER 109 CO 0.07 0.66 -0.17 1.23 -1.14 0.00 0.00 176.83 177.48 2pll h GLY 110 N 0.19 0.64 0.93 -3.77 0.00 -0.86 -2.37 103.07 97.84 2pll h GLY 110 Ca 0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 2pll h GLY 110 CO 0.02 0.45 -0.02 0.84 0.00 0.00 0.00 176.54 177.82 2pll h HIS 111 N 0.53 0.73 0.00 5.60 6.17 -1.06 -2.97 115.15 124.15 2pll h HIS 111 Ca 0.09 -0.14 -0.01 0.00 0.71 0.00 0.00 60.37 61.02 2pll h HIS 111 Cb 0.59 -0.19 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 2pll h HIS 111 CO 0.02 0.78 -0.06 0.00 0.71 0.00 0.00 177.93 179.38 2pll h ALA 112 N 0.86 1.08 -0.53 5.26 0.00 -0.53 0.13 119.26 125.51 2pll h ALA 112 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2pll h ALA 112 Cb 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2pll h ALA 112 CO 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.30 2pll h ARG 113 N 0.00 0.95 0.09 0.00 3.08 -1.26 -0.44 114.38 116.80 2pll h ARG 113 Ca -0.00 -0.30 -0.33 0.00 0.07 0.00 0.00 59.98 59.42 2pll h ARG 113 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2pll h ARG 113 CO 0.01 0.96 -1.80 0.28 -1.07 0.00 0.00 179.97 178.35 2pll h VAL 114 N 0.86 0.82 -2.71 2.04 2.07 -1.54 -3.42 116.25 114.37 2pll h VAL 114 Ca 0.15 -2.55 -0.60 0.00 0.82 0.00 0.00 66.70 64.51 2pll h VAL 114 Cb 0.57 2.55 -0.40 0.00 -1.52 0.00 0.00 31.29 32.49 2pll h VAL 114 CO 0.03 0.76 -0.80 -1.00 0.02 0.00 0.00 177.57 176.58 2pll s HIS 115 N -2.58 2.03 -2.00 1.57 3.76 -0.00 -4.96 115.29 113.10 2pll s HIS 115 Ca -0.14 -2.65 0.13 0.00 -0.15 0.00 0.00 55.06 52.25 2pll s HIS 115 Cb 0.07 -1.66 0.76 0.00 1.11 0.00 0.00 32.58 32.86 2pll s HIS 115 CO 0.81 -0.73 1.24 -0.35 -0.85 0.00 0.00 174.74 174.86 2pll n PRO 116 N 2.71 0.63 -0.12 8.40 -0.04 -0.18 -2.59 135.00 143.82 2pll n PRO 116 Ca 0.23 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.78 2pll n PRO 116 Cb 0.41 -1.32 0.15 0.00 -0.04 0.00 0.00 33.50 32.70 2pll n PRO 116 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2pll n ASP 117 N -0.82 2.94 -4.73 3.54 5.75 -1.26 -4.99 116.55 116.98 2pll n ASP 117 Ca 0.10 -1.86 -0.37 0.00 -0.01 0.00 0.00 54.79 52.64 2pll n ASP 117 Cb 0.04 -0.16 0.07 0.00 -1.03 0.00 0.00 41.12 40.04 2pll n ASP 117 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 2pll s LEU 118 N -1.32 3.59 0.08 -2.12 0.05 -1.07 -4.54 118.68 113.36 2pll s LEU 118 Ca 0.28 2.63 0.06 0.00 0.05 0.00 0.00 54.13 57.15 2pll s LEU 118 Cb 0.17 -4.60 -0.04 0.00 -2.05 0.00 0.00 46.19 39.67 2pll s LEU 118 CO 0.24 -1.99 -0.06 -0.83 -0.55 0.00 0.00 176.35 173.17 2pll s GLY 119 N -1.37 1.83 -0.05 -3.48 0.00 0.83 -4.96 107.32 100.13 2pll s GLY 119 Ca 0.82 -1.16 0.04 0.00 0.00 0.00 0.00 44.72 44.43 2pll s GLY 119 CO 0.40 -1.11 -0.17 0.14 0.00 0.00 0.00 173.10 172.36 2pll s VAL 120 N -1.21 2.85 -0.23 1.40 1.01 0.12 -0.88 120.40 123.46 2pll s VAL 120 Ca 0.22 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2pll s VAL 120 Cb -0.11 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2pll s VAL 120 CO 0.14 0.58 -0.14 -0.63 0.00 0.00 0.00 175.10 175.05 2pll s ILE 121 N -0.60 2.10 -0.49 2.22 1.01 -0.49 -0.01 121.20 124.93 2pll s ILE 121 Ca 0.09 -1.35 -0.04 0.00 0.00 0.00 0.00 60.65 59.35 2pll s ILE 121 Cb -0.11 -2.09 0.13 0.00 0.01 0.00 0.00 42.46 40.40 2pll s ILE 121 CO 0.01 0.19 0.30 0.86 0.00 0.00 0.00 174.94 176.30 2pll s TRP 122 N 1.19 3.52 -0.18 3.97 -0.11 0.93 -1.32 118.94 126.94 2pll s TRP 122 Ca -0.03 -2.45 -0.24 0.00 1.22 0.00 0.00 56.10 54.59 2pll s TRP 122 Cb -0.17 -3.25 -0.02 0.00 -1.50 0.00 0.00 33.47 28.53 2pll s TRP 122 CO -0.08 -0.93 0.78 0.08 -4.62 0.00 0.00 176.95 172.18 2pll s VAL 123 N 0.77 4.91 -0.21 5.86 1.01 -1.07 -1.90 120.40 129.77 2pll s VAL 123 Ca 0.11 1.52 -0.33 0.00 0.00 0.00 0.00 61.98 63.28 2pll s VAL 123 Cb -0.22 -4.09 0.15 0.00 0.00 0.00 0.00 36.38 32.22 2pll s VAL 123 CO -0.04 0.04 1.21 -0.62 0.00 0.00 0.00 175.10 175.70 2pll s ASP 124 N 1.17 -0.15 0.00 3.32 -1.08 -0.39 -2.08 116.67 117.46 2pll s ASP 124 Ca 0.36 0.06 0.26 0.00 -0.52 0.00 0.00 52.55 52.71 2pll s ASP 124 Cb -0.16 0.14 0.69 0.00 -1.46 0.00 0.00 42.92 42.13 2pll s ASP 124 CO 0.12 -0.20 1.53 0.00 0.52 0.00 0.00 175.17 177.14 2pll n ALA 125 N 0.16 3.25 -2.50 3.66 0.00 -1.26 -1.80 120.51 122.02 2pll n ALA 125 Ca -0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 2pll n ALA 125 Cb 0.58 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.76 2pll n ALA 125 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2pll s HIS 126 N -2.77 1.63 -0.28 0.00 3.76 -1.26 -1.87 115.29 114.50 2pll s HIS 126 Ca 0.18 -0.49 0.20 0.00 -0.15 0.00 0.00 55.06 54.80 2pll s HIS 126 Cb 0.18 -0.85 0.11 0.00 1.11 0.00 0.00 32.58 33.14 2pll s HIS 126 CO 0.61 0.22 1.28 1.79 -0.85 0.00 0.00 174.74 177.79 2pll h THR 127 N 3.60 0.23 -6.63 1.30 1.35 -1.89 -3.48 112.91 107.39 2pll h THR 127 Ca -0.42 -1.37 -0.53 0.00 -0.55 0.00 0.00 66.41 63.54 2pll h THR 127 Cb 1.20 1.92 -0.16 0.00 -1.73 0.00 0.00 68.15 69.38 2pll h THR 127 CO 0.48 0.13 -0.83 0.47 -0.25 0.00 0.00 175.52 175.52 2pll n ASP 128 N -2.96 -3.20 -0.58 5.36 8.00 -1.26 -4.71 116.55 117.20 2pll n ASP 128 Ca 0.00 -0.97 0.05 0.00 0.71 0.00 0.00 54.79 54.59 2pll n ASP 128 Cb 0.62 -3.01 0.14 0.00 -0.02 0.00 0.00 41.12 38.85 2pll n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pll n ILE 129 N -4.45 1.13 -2.07 0.53 0.00 -1.22 -1.41 119.36 111.87 2pll n ILE 129 Ca 0.02 -1.09 -0.38 0.00 0.00 0.00 0.00 62.75 61.29 2pll n ILE 129 Cb 0.52 0.42 0.01 0.00 0.00 0.00 0.00 39.64 40.59 2pll n ILE 129 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2pll s ASN 130 N -1.11 5.99 0.48 9.51 0.01 -0.96 -4.47 114.94 124.40 2pll s ASN 130 Ca 0.22 2.53 0.09 0.00 -0.71 0.00 0.00 52.86 54.99 2pll s ASN 130 Cb 0.13 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 39.21 2pll s ASN 130 CO 0.13 -1.06 0.65 0.42 -1.51 0.00 0.00 177.10 175.73 2pll s THR 131 N -1.39 2.63 0.64 1.60 -4.23 -1.26 -4.20 115.64 109.43 2pll s THR 131 Ca 0.63 -1.02 0.38 0.00 -1.18 0.00 0.00 61.69 60.51 2pll s THR 131 Cb -0.35 -2.65 0.41 0.00 1.34 0.00 0.00 72.50 71.25 2pll s THR 131 CO 0.43 0.00 2.29 -0.65 -0.54 0.00 0.00 174.62 176.14 2pll h PRO 132 N 0.47 0.00 0.00 3.99 0.11 -1.93 -2.13 132.00 132.51 2pll h PRO 132 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2pll h PRO 132 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2pll h PRO 132 CO 0.44 0.00 -1.71 1.28 -0.21 0.00 0.00 178.00 177.80 2pll n LEU 133 N -3.33 0.24 -0.02 2.35 4.77 -1.26 -4.44 117.00 115.32 2pll n LEU 133 Ca -0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2pll n LEU 133 Cb 0.12 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 2pll n LEU 133 CO 0.22 -0.02 -0.72 0.35 -1.33 0.00 0.00 177.39 175.89 2pll n THR 134 N -2.28 0.88 -1.70 -5.08 -2.24 -0.95 -4.97 114.28 97.94 2pll n THR 134 Ca -0.03 -0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 2pll n THR 134 Cb 0.55 -0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 2pll n THR 134 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2pll n THR 135 N -2.64 1.48 -0.03 4.28 5.66 -0.84 -4.88 114.28 117.32 2pll n THR 135 Ca -0.15 -0.37 0.04 0.00 -3.05 0.00 0.00 64.05 60.52 2pll n THR 135 Cb 0.86 -1.63 -0.13 0.00 -1.55 0.00 0.00 70.33 67.88 2pll n THR 135 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2pll n THR 136 N 1.17 0.27 -0.00 1.09 -2.24 -1.26 -4.46 114.28 108.85 2pll n THR 136 Ca 0.07 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 2pll n THR 136 Cb 0.35 -0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 2pll n THR 136 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2pll h SER 137 N 0.00 0.25 0.00 3.42 4.64 -1.95 -3.48 113.55 116.43 2pll h SER 137 Ca -0.11 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 2pll h SER 137 Cb 1.07 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2pll h SER 137 CO 0.01 1.49 0.00 0.61 -0.87 0.00 0.00 176.83 178.07 2pll n GLY 138 N 1.80 0.77 3.65 -0.77 0.00 -1.26 -4.94 105.19 104.44 2pll n GLY 138 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2pll n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pll s ASN 139 N -2.57 6.89 0.39 1.61 0.01 -1.26 -2.27 114.94 117.74 2pll s ASN 139 Ca 0.00 1.11 0.28 0.00 -0.71 0.00 0.00 52.86 53.54 2pll s ASN 139 Cb 0.00 -2.45 1.33 0.00 0.41 0.00 0.00 41.25 40.53 2pll s ASN 139 CO 0.00 -0.50 1.84 -0.07 -1.51 0.00 0.00 177.10 176.86 2pll h LEU 140 N 8.95 0.00 0.00 0.60 3.38 -1.58 -2.47 115.31 124.19 2pll h LEU 140 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2pll h LEU 140 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2pll h LEU 140 CO 0.87 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.40 2pll n HIS 141 N -2.50 0.00 -0.84 1.13 1.44 -0.17 -1.92 115.22 112.36 2pll n HIS 141 Ca -0.00 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.79 2pll n HIS 141 Cb 0.15 -0.27 0.24 0.00 0.12 0.00 0.00 29.99 30.23 2pll n HIS 141 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2pll n GLY 142 N 0.44 3.80 0.00 -1.39 0.00 -0.93 -4.46 105.19 102.64 2pll n GLY 142 Ca 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2pll n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pll n GLN 143 N -0.32 -0.24 -0.31 1.61 6.02 -0.81 -2.26 117.38 121.08 2pll n GLN 143 Ca 0.19 -0.15 0.11 0.00 -0.01 0.00 0.00 57.00 57.14 2pll n GLN 143 Cb 0.81 -0.63 0.28 0.00 1.02 0.00 0.00 30.24 31.71 2pll n GLN 143 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2pll h PRO 144 N 0.00 0.56 -0.83 -1.09 0.13 -1.54 -2.75 132.00 126.49 2pll h PRO 144 Ca 0.00 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2pll h PRO 144 Cb 0.38 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.34 2pll h PRO 144 CO 0.00 0.37 0.47 0.28 -0.23 0.00 0.00 178.00 178.89 2pll h VAL 145 N 0.58 1.24 -0.82 1.56 2.07 -1.52 -2.95 116.25 116.41 2pll h VAL 145 Ca 0.53 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2pll h VAL 145 Cb 0.86 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 2pll h VAL 145 CO -0.42 0.26 0.53 0.77 0.02 0.00 0.00 177.57 178.73 2pll h SER 146 N 1.15 0.88 0.45 0.57 4.64 -1.64 -0.82 113.55 118.78 2pll h SER 146 Ca 0.29 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 2pll h SER 146 Cb 0.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2pll h SER 146 CO -0.05 0.62 -0.21 -0.26 -0.87 0.00 0.00 176.83 176.05 2pll h PHE 147 N 1.04 0.00 0.00 4.77 -1.00 -1.60 -3.04 116.94 117.11 2pll h PHE 147 Ca 0.32 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.97 2pll h PHE 147 Cb -0.02 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 2pll h PHE 147 CO -0.02 0.21 -1.13 -0.07 -1.61 0.00 0.00 178.31 175.69 2pll h LEU 148 N 0.00 0.00 -9.32 1.54 3.38 -1.20 -3.35 115.31 106.37 2pll h LEU 148 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2pll h LEU 148 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2pll h LEU 148 CO 0.03 0.48 0.49 -0.76 0.09 0.00 0.00 178.44 178.77 2pll s LEU 149 N -5.90 4.29 0.16 1.67 1.43 -0.41 -1.68 118.68 118.25 2pll s LEU 149 Ca -0.01 1.58 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 2pll s LEU 149 Cb 0.08 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.78 2pll s LEU 149 CO 0.79 -0.38 1.62 0.11 0.23 0.00 0.00 176.35 178.73 2pll h LYS 150 N 6.99 0.92 -0.02 1.70 1.57 -1.45 -2.62 116.57 123.65 2pll h LYS 150 Ca -0.35 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.16 2pll h LYS 150 Cb 1.17 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2pll h LYS 150 CO 0.82 0.92 0.04 0.93 -0.57 0.00 0.00 179.45 181.58 2pll h GLU 151 N 0.80 0.00 0.00 3.15 3.07 -1.93 -0.71 114.58 118.95 2pll h GLU 151 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2pll h GLU 151 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2pll h GLU 151 CO 0.02 0.00 -0.87 1.28 -1.40 0.00 0.00 179.01 178.04 2pll n LEU 152 N -3.53 0.66 -4.51 1.33 4.32 -1.01 -4.84 117.00 109.42 2pll n LEU 152 Ca -0.02 0.13 -0.45 0.00 -0.02 0.00 0.00 56.01 55.64 2pll n LEU 152 Cb 0.12 -0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 41.73 2pll n LEU 152 CO 0.24 -0.03 1.89 1.17 -1.22 0.00 0.00 177.39 179.44 2pll n LYS 153 N -2.12 1.28 0.00 3.23 0.00 -0.28 0.43 118.16 120.72 2pll n LYS 153 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 58.31 58.63 2pll n LYS 153 Cb 0.45 -2.82 0.00 0.00 0.00 0.00 0.00 35.03 32.66 2pll n LYS 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pll n GLY 154 N 6.21 1.35 0.02 3.14 0.00 -1.26 -4.92 105.19 109.72 2pll n GLY 154 Ca 0.38 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.49 2pll n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pll n LYS 155 N 0.00 1.01 -3.41 1.61 4.76 0.17 -4.88 118.16 117.42 2pll n LYS 155 Ca 0.00 -0.04 -0.40 0.00 -2.87 0.00 0.00 58.31 55.01 2pll n LYS 155 Cb 0.00 -1.36 -0.09 0.00 -1.84 0.00 0.00 35.03 31.74 2pll n LYS 155 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2pll s ILE 156 N -2.70 5.18 0.80 -0.18 1.09 -1.24 -4.75 121.20 119.41 2pll s ILE 156 Ca 0.07 0.36 -0.11 0.00 -1.10 0.00 0.00 60.65 59.87 2pll s ILE 156 Cb 0.14 -3.73 0.07 0.00 -1.06 0.00 0.00 42.46 37.88 2pll s ILE 156 CO 0.74 0.07 1.09 -2.16 -0.10 0.00 0.00 174.94 174.59 2pll s PRO 157 N 2.04 2.03 -0.78 2.79 0.04 -1.26 -4.90 135.00 134.96 2pll s PRO 157 Ca 0.13 0.68 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 2pll s PRO 157 Cb -0.16 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2pll s PRO 157 CO 0.11 -1.67 2.22 -0.51 0.04 0.00 0.00 177.00 177.19 2pll s ASP 158 N -3.84 4.45 -0.08 6.66 1.01 -1.26 -4.93 116.67 118.68 2pll s ASP 158 Ca 0.61 -0.03 -0.21 0.00 0.71 0.00 0.00 52.55 53.63 2pll s ASP 158 Cb -0.15 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 2pll s ASP 158 CO 0.55 -3.29 0.60 -0.69 0.21 0.00 0.00 175.17 172.54 2pll s VAL 159 N 12.57 5.08 0.02 -1.27 1.01 -1.26 -5.01 120.40 131.55 2pll s VAL 159 Ca 0.84 1.23 -0.34 0.00 0.00 0.00 0.00 61.98 63.70 2pll s VAL 159 Cb -0.11 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 2pll s VAL 159 CO 0.08 0.30 1.72 -2.65 0.00 0.00 0.00 175.10 174.56 2pll n PRO 160 N 3.59 2.09 -0.37 2.72 -0.02 -1.26 -1.80 135.00 139.95 2pll n PRO 160 Ca -0.04 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2pll n PRO 160 Cb 0.51 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2pll n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pll n GLY 161 N 3.88 0.70 0.10 -1.23 0.00 -1.26 -3.35 105.19 104.03 2pll n GLY 161 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2pll n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pll n PHE 162 N -2.04 0.00 0.23 1.61 3.01 -0.74 -4.14 117.46 115.38 2pll n PHE 162 Ca 0.00 -0.88 0.10 0.00 1.01 0.00 0.00 57.45 57.68 2pll n PHE 162 Cb 0.00 -0.14 0.53 0.00 -0.01 0.00 0.00 39.48 39.86 2pll n PHE 162 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2pll h SER 163 N 0.00 0.00 0.87 4.37 4.64 -1.93 -2.39 113.55 119.11 2pll h SER 163 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pll h SER 163 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2pll h SER 163 CO 0.00 0.21 0.00 4.11 -0.87 0.00 0.00 176.83 180.28 2pll h TRP 164 N 0.00 0.00 -4.06 4.77 5.08 -1.96 -3.44 115.95 116.33 2pll h TRP 164 Ca -0.00 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.49 2pll h TRP 164 Cb 0.64 0.00 0.04 0.00 -3.00 0.00 0.00 29.16 26.83 2pll h TRP 164 CO 0.00 0.00 0.40 0.08 -1.28 0.00 0.00 178.44 177.64 2pll s VAL 165 N -3.74 3.60 -0.19 0.12 1.01 -0.90 -5.06 120.40 115.24 2pll s VAL 165 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.94 2pll s VAL 165 Cb 0.10 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 33.13 2pll s VAL 165 CO 0.52 -0.18 0.41 -0.89 0.00 0.00 0.00 175.10 174.96 2pll s THR 166 N -1.87 -0.58 -0.41 3.92 2.01 -1.26 -5.11 115.64 112.33 2pll s THR 166 Ca 0.67 0.17 -0.42 0.00 0.31 0.00 0.00 61.69 62.42 2pll s THR 166 Cb -0.19 -0.65 -0.17 0.00 0.01 0.00 0.00 72.50 71.50 2pll s THR 166 CO 0.23 0.07 1.94 -2.65 -0.69 0.00 0.00 174.62 173.52 2pll n PRO 167 N 5.29 0.53 0.00 4.92 -0.02 -1.26 -4.86 135.00 139.60 2pll n PRO 167 Ca -0.10 0.17 0.09 0.00 -2.02 0.00 0.00 63.50 61.65 2pll n PRO 167 Cb 0.50 -1.87 0.07 0.00 -0.02 0.00 0.00 33.50 32.19 2pll n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pll s ILE 169 N -1.57 0.07 0.41 0.00 -4.36 -0.76 -4.96 121.20 110.02 2pll s ILE 169 Ca 0.22 -0.29 -0.03 0.00 -0.26 0.00 0.00 60.65 60.29 2pll s ILE 169 Cb 0.16 -0.12 -0.04 0.00 1.25 0.00 0.00 42.46 43.71 2pll s ILE 169 CO 0.24 -0.14 0.67 -0.44 0.24 0.00 0.00 174.94 175.51 2pll s SER 170 N -0.44 6.30 0.46 4.36 0.01 -1.26 -1.29 113.70 121.84 2pll s SER 170 Ca -0.04 0.72 0.18 0.00 1.31 0.00 0.00 55.95 58.11 2pll s SER 170 Cb -0.03 -2.15 1.14 0.00 0.21 0.00 0.00 66.02 65.19 2pll s SER 170 CO -0.00 -0.42 1.97 0.00 0.41 0.00 0.00 173.24 175.19 2pll h ALA 171 N 0.61 2.18 -0.03 1.44 0.00 -1.97 -0.99 119.26 120.50 2pll h ALA 171 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2pll h ALA 171 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pll h ALA 171 CO 0.62 -0.34 0.00 0.36 0.00 0.00 0.00 179.25 179.89 2pll n LYS 172 N -4.45 1.12 -0.25 0.00 2.85 -1.26 -3.82 118.16 112.35 2pll n LYS 172 Ca 0.11 -0.18 0.06 0.00 -1.05 0.00 0.00 58.31 57.26 2pll n LYS 172 Cb 0.49 -1.30 0.18 0.00 -0.65 0.00 0.00 35.03 33.75 2pll n LYS 172 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2pll n ASP 173 N -0.60 3.18 -4.08 -5.58 8.00 -0.38 -4.97 116.55 112.11 2pll n ASP 173 Ca 0.14 -2.27 -0.17 0.00 0.71 0.00 0.00 54.79 53.20 2pll n ASP 173 Cb 0.11 -0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 40.77 2pll n ASP 173 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2pll s ILE 174 N -1.48 0.78 -0.06 0.53 2.07 -1.25 -0.71 121.20 121.08 2pll s ILE 174 Ca 0.28 -0.92 0.01 0.00 -1.41 0.00 0.00 60.65 58.61 2pll s ILE 174 Cb 0.18 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 42.03 2pll s ILE 174 CO 0.14 -0.14 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.27 2pll s VAL 175 N -0.95 0.83 0.00 4.00 1.01 0.99 -3.89 120.40 122.39 2pll s VAL 175 Ca -0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 2pll s VAL 175 Cb -0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2pll s VAL 175 CO 0.01 0.30 0.36 -0.31 0.00 0.00 0.00 175.10 175.46 2pll s TYR 176 N 0.97 3.67 -0.03 5.22 2.02 -0.89 -0.05 117.35 128.26 2pll s TYR 176 Ca -0.10 0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 57.45 2pll s TYR 176 Cb -0.15 -2.19 0.03 0.00 -0.40 0.00 0.00 41.96 39.25 2pll s TYR 176 CO 0.00 0.62 0.05 0.42 -1.57 0.00 0.00 175.55 175.07 2pll s ILE 177 N -1.17 -0.08 0.00 2.71 1.01 -0.80 -0.41 121.20 122.46 2pll s ILE 177 Ca 0.25 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.21 2pll s ILE 177 Cb -0.15 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.20 2pll s ILE 177 CO 0.13 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2pll n GLY 178 N 4.68 0.51 3.62 6.18 0.00 -0.65 -1.26 105.19 118.28 2pll n GLY 178 Ca -0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.38 2pll n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pll n LEU 179 N 0.00 2.31 0.00 0.99 4.77 -0.74 -4.10 117.00 120.23 2pll n LEU 179 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 2pll n LEU 179 Cb 0.00 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 2pll n LEU 179 CO 0.00 -0.89 0.00 -2.11 -1.33 0.00 0.00 177.39 173.06 2pll n ARG 180 N 1.92 0.00 -2.90 3.23 1.85 -0.88 -0.92 116.66 118.95 2pll n ARG 180 Ca 0.13 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.85 2pll n ARG 180 Cb 0.28 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.71 2pll n ARG 180 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2pll n ASP 181 N 0.00 -1.64 -4.76 2.89 2.03 -0.78 -5.04 116.55 109.25 2pll n ASP 181 Ca 0.00 -3.19 -0.36 0.00 0.52 0.00 0.00 54.79 51.76 2pll n ASP 181 Cb 0.43 0.97 -0.08 0.00 -0.72 0.00 0.00 41.12 41.72 2pll n ASP 181 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2pll s VAL 182 N -0.17 5.24 0.53 5.18 1.01 -1.26 -4.64 120.40 126.28 2pll s VAL 182 Ca 0.32 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 2pll s VAL 182 Cb 0.24 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 2pll s VAL 182 CO -0.16 0.52 1.07 -1.81 0.00 0.00 0.00 175.10 174.72 2pll s ASP 183 N -0.19 6.02 0.29 3.32 1.01 -1.26 -4.83 116.67 121.03 2pll s ASP 183 Ca 0.10 1.99 0.03 0.00 0.71 0.00 0.00 52.55 55.38 2pll s ASP 183 Cb -0.12 -2.56 0.71 0.00 1.01 0.00 0.00 42.92 41.96 2pll s ASP 183 CO 0.01 -1.01 1.70 -0.65 0.21 0.00 0.00 175.17 175.43 2pll h PRO 184 N 1.23 0.41 -0.52 8.23 0.11 -1.99 0.39 132.00 139.85 2pll h PRO 184 Ca -0.49 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 2pll h PRO 184 Cb 1.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2pll h PRO 184 CO 0.58 0.27 -0.04 0.78 -0.21 0.00 0.00 178.00 179.37 2pll h GLY 185 N 0.42 1.02 1.45 -0.55 0.00 -1.93 -2.23 103.07 101.24 2pll h GLY 185 Ca 0.55 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 2pll h GLY 185 CO -0.51 0.72 0.06 0.83 0.00 0.00 0.00 176.54 177.64 2pll h GLU 186 N 0.81 0.69 -0.34 4.80 5.08 -1.33 -1.65 114.58 122.65 2pll h GLU 186 Ca 0.14 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2pll h GLU 186 Cb 0.58 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2pll h GLU 186 CO 0.03 0.66 -0.06 1.25 -1.00 0.00 0.00 179.01 179.90 2pll h HIS 187 N 0.66 0.71 -0.77 4.33 2.76 -1.00 0.11 115.15 121.96 2pll h HIS 187 Ca 0.14 -0.15 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 2pll h HIS 187 Cb 0.32 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 2pll h HIS 187 CO 0.02 0.79 0.44 -0.92 -1.30 0.00 0.00 177.93 176.96 2pll h TYR 188 N 0.43 0.81 0.35 5.26 3.20 -1.06 0.08 116.97 126.03 2pll h TYR 188 Ca 0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2pll h TYR 188 Cb 0.55 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2pll h TYR 188 CO 0.05 0.38 -0.17 0.82 -1.64 0.00 0.00 178.16 177.60 2pll h ILE 189 N 0.79 0.67 -0.61 1.81 1.08 -0.95 -0.12 117.51 120.19 2pll h ILE 189 Ca 0.35 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.67 2pll h ILE 189 Cb 0.23 0.79 -0.10 0.00 -3.07 0.00 0.00 36.82 34.67 2pll h ILE 189 CO -0.20 0.04 -0.55 -0.07 -0.69 0.00 0.00 178.15 176.69 2pll h LEU 190 N -0.59 -1.90 -0.21 1.44 3.38 0.11 -1.11 115.31 116.43 2pll h LEU 190 Ca -0.05 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2pll h LEU 190 Cb 0.43 0.81 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2pll h LEU 190 CO 0.08 -0.35 0.09 0.11 0.09 0.00 0.00 178.44 178.47 2pll h LYS 191 N -0.26 0.31 -0.53 1.13 1.79 -0.99 -1.93 116.57 116.11 2pll h LYS 191 Ca 0.12 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2pll h LYS 191 Cb 0.54 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.10 2pll h LYS 191 CO -0.71 0.35 0.31 1.15 -1.08 0.00 0.00 179.45 179.47 2pll h THR 192 N 0.20 1.05 -0.01 -0.16 2.02 -0.60 -2.46 112.91 112.95 2pll h THR 192 Ca 0.07 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2pll h THR 192 Cb 0.15 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2pll h THR 192 CO -0.01 0.11 -0.10 0.18 0.37 0.00 0.00 175.52 176.07 2pll n LEU 193 N -4.80 1.09 -3.64 2.58 4.77 -0.46 -4.95 117.00 111.60 2pll n LEU 193 Ca 0.04 -0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.47 2pll n LEU 193 Cb 0.08 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2pll n LEU 193 CO 0.32 0.19 0.17 0.61 -1.33 0.00 0.00 177.39 177.35 2pll n GLY 194 N 1.24 -0.48 3.76 -0.72 0.00 -0.77 -4.81 105.19 103.40 2pll n GLY 194 Ca 0.16 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 2pll n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pll s ILE 195 N -3.35 3.69 0.08 -0.61 1.09 -0.95 -4.84 121.20 116.31 2pll s ILE 195 Ca 0.44 1.70 -0.31 0.00 -1.10 0.00 0.00 60.65 61.38 2pll s ILE 195 Cb -0.20 -4.08 -0.06 0.00 -1.06 0.00 0.00 42.46 37.06 2pll s ILE 195 CO 0.76 0.40 1.21 -0.75 -0.10 0.00 0.00 174.94 176.46 2pll s LYS 196 N -1.38 4.44 0.02 2.79 2.47 -1.25 -4.90 119.74 121.93 2pll s LYS 196 Ca 0.43 1.80 -0.13 0.00 -1.56 0.00 0.00 55.97 56.52 2pll s LYS 196 Cb -0.30 -3.32 0.02 0.00 -1.46 0.00 0.00 37.83 32.76 2pll s LYS 196 CO 0.38 -0.24 0.27 1.52 0.16 0.00 0.00 175.35 177.43 2pll s TYR 197 N 0.89 -0.08 -0.50 4.03 -0.85 -1.26 -2.08 117.35 117.50 2pll s TYR 197 Ca 0.58 0.00 0.03 0.00 -0.52 0.00 0.00 57.07 57.16 2pll s TYR 197 Cb -0.30 0.06 0.15 0.00 0.38 0.00 0.00 41.96 42.24 2pll s TYR 197 CO 0.30 -0.43 0.32 -0.06 -1.52 0.00 0.00 175.55 174.16 2pll s PHE 198 N -2.06 2.20 1.17 -3.49 0.40 0.45 -4.93 117.98 111.72 2pll s PHE 198 Ca -0.09 -2.63 -0.18 0.00 -0.60 0.00 0.00 56.93 53.43 2pll s PHE 198 Cb -0.03 -1.91 0.27 0.00 0.51 0.00 0.00 43.02 41.86 2pll s PHE 198 CO -0.01 -0.74 1.13 -1.54 0.70 0.00 0.00 175.22 174.76 2pll s SER 199 N -0.13 1.24 0.54 1.36 1.04 -1.26 -1.64 113.70 114.85 2pll s SER 199 Ca 0.22 0.64 0.22 0.00 0.48 0.00 0.00 55.95 57.51 2pll s SER 199 Cb -0.15 -0.90 1.41 0.00 0.10 0.00 0.00 66.02 66.48 2pll s SER 199 CO -0.07 -3.93 2.09 0.24 0.98 0.00 0.00 173.24 172.55 2pll h MET 200 N -2.45 0.00 -0.12 4.02 2.86 -1.24 -1.32 114.93 116.69 2pll h MET 200 Ca -0.46 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2pll h MET 200 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 2pll h MET 200 CO 0.36 0.00 0.07 1.15 1.06 0.00 0.00 176.91 179.56 2pll h THR 201 N 0.00 1.08 -0.59 2.22 2.02 -1.90 0.61 112.91 116.36 2pll h THR 201 Ca 0.10 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2pll h THR 201 Cb 0.43 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2pll h THR 201 CO -0.00 0.07 0.23 -0.33 0.37 0.00 0.00 175.52 175.86 2pll h GLU 202 N 0.12 0.88 -0.56 6.66 3.07 -1.60 -1.19 114.58 121.96 2pll h GLU 202 Ca 0.04 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 2pll h GLU 202 Cb 0.05 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 2pll h GLU 202 CO -0.01 0.76 0.21 0.28 -1.40 0.00 0.00 179.01 178.85 2pll h VAL 203 N 0.81 1.21 -0.32 3.13 2.07 -1.07 0.30 116.25 122.38 2pll h VAL 203 Ca 0.19 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 2pll h VAL 203 Cb 0.21 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2pll h VAL 203 CO -0.01 0.26 -0.06 0.44 0.02 0.00 0.00 177.57 178.21 2pll h ASP 204 N 0.81 0.62 0.05 0.57 3.32 -0.50 -0.19 116.42 121.10 2pll h ASP 204 Ca 0.19 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2pll h ASP 204 Cb 0.19 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2pll h ASP 204 CO -0.02 0.83 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.22 2pll h ARG 205 N 0.40 -0.07 0.02 3.56 2.43 -0.74 -3.36 114.38 116.62 2pll h ARG 205 Ca 0.08 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.00 2pll h ARG 205 Cb 0.55 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2pll h ARG 205 CO 0.03 0.31 -1.35 -0.07 -1.51 0.00 0.00 179.97 177.38 2pll h LEU 206 N -0.46 0.07 0.00 3.80 3.38 -0.50 -3.51 115.31 118.09 2pll h LEU 206 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2pll h LEU 206 Cb 0.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2pll h LEU 206 CO 0.01 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.23 2pll n GLY 207 N 1.48 -0.05 0.25 0.83 0.00 -0.08 -4.12 105.19 103.50 2pll n GLY 207 Ca -0.09 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.50 2pll n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pll h ILE 208 N 0.00 0.90 0.26 -0.61 6.09 -1.94 -2.43 117.51 119.79 2pll h ILE 208 Ca 0.00 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 2pll h ILE 208 Cb 0.00 1.17 -0.02 0.00 0.47 0.00 0.00 36.82 38.44 2pll h ILE 208 CO 0.00 0.08 -0.24 1.23 -3.07 0.00 0.00 178.15 176.15 2pll h GLY 209 N 0.31 -0.55 1.81 8.18 0.00 -1.95 -2.12 103.07 108.75 2pll h GLY 209 Ca -0.00 0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 2pll h GLY 209 CO 0.01 -0.23 -0.37 1.70 0.00 0.00 0.00 176.54 177.66 2pll h LYS 210 N -0.53 0.22 -0.67 4.80 1.63 -1.66 -2.89 116.57 117.47 2pll h LYS 210 Ca -0.01 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2pll h LYS 210 Cb 0.48 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 2pll h LYS 210 CO -0.04 0.56 0.44 0.28 -3.45 0.00 0.00 179.45 177.24 2pll h VAL 211 N 0.19 1.14 -0.33 2.00 2.07 -1.09 -1.31 116.25 118.93 2pll h VAL 211 Ca 0.02 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 2pll h VAL 211 Cb 0.74 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2pll h VAL 211 CO 0.06 0.16 -0.35 0.24 0.02 0.00 0.00 177.57 177.69 2pll h MET 212 N 0.88 0.74 -0.21 1.57 2.86 -1.26 0.51 114.93 120.02 2pll h MET 212 Ca 0.26 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2pll h MET 212 Cb -0.06 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2pll h MET 212 CO -0.07 0.98 0.11 1.49 1.06 0.00 0.00 176.91 180.48 2pll h GLU 213 N 0.62 0.30 -0.31 1.72 4.81 -1.27 -0.84 114.58 119.61 2pll h GLU 213 Ca 0.06 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 2pll h GLU 213 Cb 0.89 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2pll h GLU 213 CO 0.08 0.29 -0.30 0.93 -0.73 0.00 0.00 179.01 179.27 2pll h GLU 214 N 0.23 0.66 0.02 1.92 5.08 -1.18 -0.20 114.58 121.11 2pll h GLU 214 Ca 0.07 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2pll h GLU 214 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2pll h GLU 214 CO -0.01 0.88 -0.01 1.15 -1.00 0.00 0.00 179.01 180.02 2pll h THR 215 N 0.56 1.12 -0.16 1.13 2.02 -0.67 -0.20 112.91 116.72 2pll h THR 215 Ca 0.07 -0.41 -0.16 0.00 0.77 0.00 0.00 66.41 66.68 2pll h THR 215 Cb 0.80 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2pll h THR 215 CO 0.07 0.11 -0.56 -0.07 0.37 0.00 0.00 175.52 175.43 2pll h LEU 216 N -0.20 0.55 -0.76 2.58 3.38 -1.15 -1.99 115.31 117.72 2pll h LEU 216 Ca -0.00 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2pll h LEU 216 Cb 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2pll h LEU 216 CO 0.00 1.00 -0.07 -1.28 0.09 0.00 0.00 178.44 178.18 2pll h SER 217 N 0.37 0.86 -0.27 -0.43 0.87 -0.99 0.56 113.55 114.51 2pll h SER 217 Ca 0.00 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.18 2pll h SER 217 Cb 1.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 2pll h SER 217 CO 0.10 0.96 -0.30 0.22 -0.53 0.00 0.00 176.83 177.29 2pll h TYR 218 N 0.79 0.91 0.00 2.24 3.20 -0.87 0.52 116.97 123.76 2pll h TYR 218 Ca 0.14 -0.23 -0.27 0.00 3.14 0.00 0.00 58.73 61.50 2pll h TYR 218 Cb 0.57 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 2pll h TYR 218 CO 0.03 0.98 -1.73 1.28 -1.64 0.00 0.00 178.16 177.09 2pll n LEU 219 N -4.08 0.77 -0.69 2.82 4.77 -0.76 -4.30 117.00 115.54 2pll n LEU 219 Ca -0.01 0.36 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 2pll n LEU 219 Cb 0.48 0.18 0.20 0.00 -2.33 0.00 0.00 43.42 41.95 2pll n LEU 219 CO 0.46 0.35 0.66 0.18 -1.33 0.00 0.00 177.39 177.71 2pll n LEU 220 N -2.98 3.33 0.00 2.23 4.77 0.19 -4.78 117.00 119.77 2pll n LEU 220 Ca -0.17 -2.62 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 2pll n LEU 220 Cb 1.02 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2pll n LEU 220 CO 0.44 0.69 0.40 0.61 -1.33 0.00 0.00 177.39 178.20 2pll n GLY 221 N -0.23 -2.12 0.20 -0.72 0.00 0.17 -3.80 105.19 98.69 2pll n GLY 221 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2pll n GLY 221 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pll h ARG 222 N 0.00 0.17 -2.59 1.61 3.08 -1.86 -3.46 114.38 111.33 2pll h ARG 222 Ca 0.00 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2pll h ARG 222 Cb 0.00 -0.04 -0.11 0.00 0.08 0.00 0.00 29.97 29.90 2pll h ARG 222 CO 0.00 0.11 0.38 -1.59 -1.07 0.00 0.00 179.97 177.80 2pll s LYS 223 N -6.15 1.20 0.03 0.04 -2.85 -1.25 -5.14 119.74 105.62 2pll s LYS 223 Ca -0.13 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 53.98 2pll s LYS 223 Cb 0.16 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.36 2pll s LYS 223 CO 0.73 -0.54 1.21 0.15 0.10 0.00 0.00 175.35 177.00 2pll s LYS 224 N -3.45 4.40 0.07 1.78 3.01 -1.26 -4.50 119.74 119.78 2pll s LYS 224 Ca 0.07 1.76 -0.04 0.00 -1.01 0.00 0.00 55.97 56.75 2pll s LYS 224 Cb -0.02 -3.42 -0.02 0.00 -1.01 0.00 0.00 37.83 33.36 2pll s LYS 224 CO -0.04 -0.33 0.06 -0.98 0.51 0.00 0.00 175.35 174.58 2pll s ARG 225 N 1.44 0.70 0.46 1.68 1.70 -1.26 -5.13 118.95 118.54 2pll s ARG 225 Ca 0.58 -1.10 -0.25 0.00 -0.47 0.00 0.00 55.73 54.49 2pll s ARG 225 Cb -0.28 0.26 -0.08 0.00 -0.57 0.00 0.00 34.95 34.28 2pll s ARG 225 CO 0.27 -0.17 1.39 -2.14 -1.08 0.00 0.00 175.30 173.57 2pll s PRO 226 N -3.86 3.67 -0.15 3.89 0.02 -1.26 -4.78 135.00 132.52 2pll s PRO 226 Ca 0.06 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 2pll s PRO 226 Cb 0.06 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.95 2pll s PRO 226 CO -0.10 -0.80 -0.08 0.42 -0.33 0.00 0.00 177.00 176.11 2pll s ILE 227 N -1.23 3.44 -0.24 2.83 -1.09 -0.15 -0.12 121.20 124.64 2pll s ILE 227 Ca 0.62 -0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 58.49 2pll s ILE 227 Cb -0.42 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.98 2pll s ILE 227 CO 0.53 0.50 -0.04 -2.28 -1.23 0.00 0.00 174.94 172.42 2pll s HIS 228 N 0.52 3.02 -0.38 3.97 5.65 -0.06 -0.20 115.29 127.81 2pll s HIS 228 Ca -0.06 -1.21 -0.12 0.00 0.25 0.00 0.00 55.06 53.92 2pll s HIS 228 Cb -0.15 -2.10 0.02 0.00 -1.18 0.00 0.00 32.58 29.17 2pll s HIS 228 CO 0.03 -0.63 0.24 -1.17 -0.65 0.00 0.00 174.74 172.56 2pll s LEU 229 N 1.42 4.83 -0.54 8.88 2.96 0.54 -1.40 118.68 135.37 2pll s LEU 229 Ca 0.03 -0.94 -0.16 0.00 -0.22 0.00 0.00 54.13 52.83 2pll s LEU 229 Cb -0.16 -2.07 0.11 0.00 0.50 0.00 0.00 46.19 44.58 2pll s LEU 229 CO -0.03 -0.40 0.52 -0.55 -1.32 0.00 0.00 176.35 174.57 2pll s SER 230 N 1.60 6.18 -0.44 3.68 0.15 -0.43 -0.89 113.70 123.55 2pll s SER 230 Ca 0.03 -1.63 -0.14 0.00 0.70 0.00 0.00 55.95 54.90 2pll s SER 230 Cb -0.19 -2.22 0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2pll s SER 230 CO 0.08 -0.87 0.34 0.12 1.20 0.00 0.00 173.24 174.11 2pll s PHE 231 N 1.81 3.25 -0.20 3.44 2.19 -0.03 -2.59 117.98 125.85 2pll s PHE 231 Ca 0.05 -0.89 -0.19 0.00 0.33 0.00 0.00 56.93 56.23 2pll s PHE 231 Cb -0.28 -2.93 -0.03 0.00 -1.31 0.00 0.00 43.02 38.47 2pll s PHE 231 CO 0.04 -0.73 0.55 0.34 1.83 0.00 0.00 175.22 177.25 2pll s ASP 232 N 2.21 6.59 0.58 6.13 -1.08 -0.89 -0.58 116.67 129.63 2pll s ASP 232 Ca 0.04 0.72 0.38 0.00 -0.52 0.00 0.00 52.55 53.17 2pll s ASP 232 Cb -0.22 -2.31 2.09 0.00 -1.46 0.00 0.00 42.92 41.02 2pll s ASP 232 CO 0.07 -0.20 2.18 -0.37 0.52 0.00 0.00 175.17 177.37 2pll h VAL 233 N 5.14 0.00 -0.02 1.11 -1.51 -1.62 -1.57 116.25 117.77 2pll h VAL 233 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2pll h VAL 233 Cb 1.15 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2pll h VAL 233 CO 0.75 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.19 2pll n ASP 234 N -2.86 0.15 0.09 4.19 3.85 -1.26 -2.66 116.55 118.04 2pll n ASP 234 Ca -0.03 -1.70 -0.06 0.00 -0.71 0.00 0.00 54.79 52.29 2pll n ASP 234 Cb 0.07 -0.01 0.05 0.00 -1.35 0.00 0.00 41.12 39.88 2pll n ASP 234 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2pll h GLY 235 N 5.64 0.18 -1.77 6.12 0.00 -1.56 -3.35 103.07 108.33 2pll h GLY 235 Ca 0.00 -0.28 -0.49 0.00 0.00 0.00 0.00 47.33 46.56 2pll h GLY 235 CO 0.00 0.25 0.32 1.08 0.00 0.00 0.00 176.54 178.19 2pll s LEU 236 N -7.55 3.53 0.34 3.11 1.43 -1.09 -1.93 118.68 116.52 2pll s LEU 236 Ca -0.03 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 54.17 2pll s LEU 236 Cb 0.11 -4.35 -0.10 0.00 0.03 0.00 0.00 46.19 41.88 2pll s LEU 236 CO 0.81 -0.65 1.33 -0.62 0.23 0.00 0.00 176.35 177.45 2pll s ASP 237 N -3.55 6.71 0.00 2.29 -1.08 0.34 -4.59 116.67 116.78 2pll s ASP 237 Ca 0.55 2.73 0.00 0.00 -0.52 0.00 0.00 52.55 55.31 2pll s ASP 237 Cb -0.10 -2.65 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 2pll s ASP 237 CO 0.40 -0.58 0.80 -0.81 0.52 0.00 0.00 175.17 175.50 2pll n PRO 238 N 0.73 0.00 0.02 4.34 -0.04 -1.26 0.50 135.00 139.30 2pll n PRO 238 Ca 0.00 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2pll n PRO 238 Cb 0.42 -1.63 0.42 0.00 -0.04 0.00 0.00 33.50 32.66 2pll n PRO 238 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pll n SER 239 N -1.30 0.36 -0.05 3.54 3.41 -1.26 -2.84 113.62 115.47 2pll n SER 239 Ca 0.00 0.25 -0.07 0.00 -0.26 0.00 0.00 58.87 58.79 2pll n SER 239 Cb 0.13 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 2pll n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2pll n PHE 240 N -1.70 0.00 -3.16 7.33 3.72 0.18 -4.82 117.46 119.02 2pll n PHE 240 Ca 0.06 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.23 2pll n PHE 240 Cb 0.37 -0.47 -0.05 0.00 -0.94 0.00 0.00 39.48 38.38 2pll n PHE 240 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pll n THR 241 N -2.62 1.05 0.23 4.37 -2.24 -0.86 -4.04 114.28 110.17 2pll n THR 241 Ca -0.19 -4.86 0.06 0.00 -2.27 0.00 0.00 64.05 56.80 2pll n THR 241 Cb 0.77 -1.22 0.53 0.00 -2.10 0.00 0.00 70.33 68.30 2pll n THR 241 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2pll h PRO 242 N 3.39 0.00 -3.90 -0.78 0.13 -1.77 -3.36 132.00 125.71 2pll h PRO 242 Ca 0.12 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.54 2pll h PRO 242 Cb 0.77 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 2pll h PRO 242 CO 0.64 0.17 3.14 0.00 -0.23 0.00 0.00 178.00 181.71 2pll n ALA 243 N -2.49 5.69 -3.11 -0.56 0.00 -1.26 -4.74 120.51 114.04 2pll n ALA 243 Ca -0.02 -3.88 -0.12 0.00 0.00 0.00 0.00 53.44 49.42 2pll n ALA 243 Cb 0.23 -3.50 -0.09 0.00 0.00 0.00 0.00 19.45 16.09 2pll n ALA 243 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2pll s THR 244 N 2.98 0.08 0.41 0.00 -1.32 -1.26 -0.70 115.64 115.83 2pll s THR 244 Ca 0.48 -0.65 0.12 0.00 -1.21 0.00 0.00 61.69 60.43 2pll s THR 244 Cb 0.14 -0.59 0.16 0.00 -1.51 0.00 0.00 72.50 70.70 2pll s THR 244 CO -0.08 -0.36 1.93 1.23 -2.21 0.00 0.00 174.62 175.13 2pll h GLY 245 N 3.96 0.11 -5.98 6.08 0.00 -1.89 -3.37 103.07 101.98 2pll h GLY 245 Ca -0.31 -0.07 -0.55 0.00 0.00 0.00 0.00 47.33 46.41 2pll h GLY 245 CO 0.42 0.06 -1.01 2.41 0.00 0.00 0.00 176.54 178.42 2pll n THR 246 N -4.27 0.22 -2.34 4.70 -1.04 -1.26 -5.11 114.28 105.18 2pll n THR 246 Ca -0.02 -4.47 -0.41 0.00 -2.04 0.00 0.00 64.05 57.11 2pll n THR 246 Cb 0.28 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 2pll n THR 246 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2pll s PRO 247 N -1.88 4.45 -0.05 -2.82 0.04 -1.26 -4.94 135.00 128.54 2pll s PRO 247 Ca 0.38 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.37 2pll s PRO 247 Cb 0.22 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.50 2pll s PRO 247 CO -0.09 -0.17 -0.21 0.08 0.04 0.00 0.00 177.00 176.65 2pll s VAL 248 N 0.24 1.73 0.67 -0.36 1.01 -1.26 -5.04 120.40 117.39 2pll s VAL 248 Ca 0.55 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 2pll s VAL 248 Cb -0.33 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2pll s VAL 248 CO 0.35 0.49 1.10 0.68 0.00 0.00 0.00 175.10 177.72 2pll s VAL 249 N -0.03 3.36 0.00 2.92 -7.23 -1.26 -4.05 120.40 114.11 2pll s VAL 249 Ca -0.04 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 2pll s VAL 249 Cb -0.13 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2pll s VAL 249 CO 0.03 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 2pll n GLY 250 N -0.74 0.51 2.36 2.32 0.00 -1.26 -5.05 105.19 103.32 2pll n GLY 250 Ca 0.10 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 2pll n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pll n GLY 251 N -2.78 -1.82 3.77 -0.02 0.00 -1.26 -4.96 105.19 98.12 2pll n GLY 251 Ca 0.00 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 2pll n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pll s LEU 252 N 0.00 4.29 0.98 0.99 1.43 -0.81 -4.23 118.68 121.33 2pll s LEU 252 Ca 0.47 2.67 -0.15 0.00 -1.03 0.00 0.00 54.13 56.09 2pll s LEU 252 Cb -0.02 -3.82 0.18 0.00 0.03 0.00 0.00 46.19 42.57 2pll s LEU 252 CO 0.34 -0.74 1.18 0.42 0.23 0.00 0.00 176.35 177.77 2pll s THR 253 N -1.22 1.91 0.10 5.49 -4.23 -1.26 -0.51 115.64 115.92 2pll s THR 253 Ca 0.54 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.85 2pll s THR 253 Cb -0.39 -2.77 -0.08 0.00 1.34 0.00 0.00 72.50 70.60 2pll s THR 253 CO 0.50 0.00 1.66 0.22 -0.54 0.00 0.00 174.62 176.47 2pll h TYR 254 N -1.76 0.30 -0.94 3.99 3.20 -1.96 -2.08 116.97 117.72 2pll h TYR 254 Ca -0.47 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.42 2pll h TYR 254 Cb 1.30 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.42 2pll h TYR 254 CO -0.62 0.31 0.62 0.00 -1.64 0.00 0.00 178.16 176.83 2pll h ARG 255 N 0.19 1.14 -0.07 1.82 3.08 -1.99 -1.56 114.38 117.00 2pll h ARG 255 Ca 0.07 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2pll h ARG 255 Cb 0.13 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2pll h ARG 255 CO -0.01 0.76 -0.54 0.93 -1.07 0.00 0.00 179.97 180.04 2pll h GLU 256 N 1.18 0.20 -0.43 0.04 5.08 -1.88 -0.85 114.58 117.92 2pll h GLU 256 Ca 0.37 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 2pll h GLU 256 Cb 0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2pll h GLU 256 CO -0.11 0.68 -0.16 0.78 -1.00 0.00 0.00 179.01 179.20 2pll h GLY 257 N 1.43 0.94 1.72 -3.84 0.00 -0.67 -1.69 103.07 100.96 2pll h GLY 257 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 47.33 46.40 2pll h GLY 257 CO 0.08 0.74 -0.46 1.41 0.00 0.00 0.00 176.54 178.31 2pll h LEU 258 N 0.69 0.32 -0.16 3.11 3.38 -1.17 -2.84 115.31 118.64 2pll h LEU 258 Ca 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2pll h LEU 258 Cb 0.71 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2pll h LEU 258 CO 0.05 0.74 -0.03 0.22 0.09 0.00 0.00 178.44 179.52 2pll h TYR 259 N 0.25 0.33 -0.64 1.13 3.20 -0.96 -0.14 116.97 120.14 2pll h TYR 259 Ca 0.02 -0.07 0.09 0.00 3.14 0.00 0.00 58.73 61.91 2pll h TYR 259 Cb 0.91 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 2pll h TYR 259 CO 0.02 0.56 0.28 0.82 -1.64 0.00 0.00 178.16 178.20 2pll h ILE 260 N 0.01 0.82 -0.00 1.81 2.04 -1.27 -0.47 117.51 120.46 2pll h ILE 260 Ca 0.04 -0.17 -0.20 0.00 1.00 0.00 0.00 64.86 65.53 2pll h ILE 260 Cb 0.45 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2pll h ILE 260 CO 0.01 0.09 -0.87 0.71 0.00 0.00 0.00 178.15 178.09 2pll h THR 261 N 0.49 1.48 -0.43 -0.27 1.35 -1.44 -2.37 112.91 111.72 2pll h THR 261 Ca 0.32 -2.57 -0.12 0.00 -0.55 0.00 0.00 66.41 63.48 2pll h THR 261 Cb 0.35 2.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 2pll h THR 261 CO -0.28 0.75 -0.22 -0.33 -0.25 0.00 0.00 175.52 175.19 2pll h GLU 262 N 0.13 0.86 -0.38 4.72 5.08 -0.66 -1.95 114.58 122.38 2pll h GLU 262 Ca -0.05 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 57.84 2pll h GLU 262 Cb 1.50 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 2pll h GLU 262 CO 0.14 1.00 -0.25 0.93 -1.00 0.00 0.00 179.01 179.82 2pll h GLU 263 N 0.75 0.78 -0.33 2.33 4.39 -1.06 -2.66 114.58 118.78 2pll h GLU 263 Ca 0.10 -0.33 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 2pll h GLU 263 Cb 0.76 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2pll h GLU 263 CO 0.06 0.95 -0.37 0.82 -1.16 0.00 0.00 179.01 179.30 2pll h ILE 264 N 0.67 1.28 -0.91 3.13 2.04 -1.33 -3.01 117.51 119.38 2pll h ILE 264 Ca 0.09 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.44 2pll h ILE 264 Cb 0.77 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 2pll h ILE 264 CO 0.06 0.50 0.59 0.22 0.00 0.00 0.00 178.15 179.53 2pll h TYR 265 N 0.64 1.11 0.00 1.37 3.20 -1.21 -2.50 116.97 119.58 2pll h TYR 265 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2pll h TYR 265 Cb 0.92 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2pll h TYR 265 CO 0.05 0.64 0.00 1.63 -1.64 0.00 0.00 178.16 178.84 2pll n LYS 266 N -4.51 0.16 0.14 1.82 5.02 -1.02 -1.97 118.16 117.81 2pll n LYS 266 Ca 0.12 0.42 0.01 0.00 -2.02 0.00 0.00 58.31 56.83 2pll n LYS 266 Cb 0.09 -1.82 0.16 0.00 -0.02 0.00 0.00 35.03 33.44 2pll n LYS 266 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2pll h THR 267 N 0.00 1.24 0.00 -0.18 1.35 -1.45 -3.47 112.91 110.41 2pll h THR 267 Ca 0.00 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 2pll h THR 267 Cb 0.32 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2pll h THR 267 CO 0.00 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 2pll n GLY 268 N 0.53 0.52 0.72 5.82 0.00 -0.83 -4.88 105.19 107.06 2pll n GLY 268 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 2pll n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pll n LEU 269 N 0.00 2.53 -4.68 0.99 4.77 -1.26 -4.97 117.00 114.38 2pll n LEU 269 Ca 0.00 -1.09 -0.47 0.00 -0.03 0.00 0.00 56.01 54.43 2pll n LEU 269 Cb 0.06 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 2pll n LEU 269 CO 0.00 0.47 1.47 -0.11 -1.33 0.00 0.00 177.39 177.89 2pll n LEU 270 N 0.98 3.56 -0.00 2.23 7.94 -1.26 -0.97 117.00 129.48 2pll n LEU 270 Ca 0.11 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2pll n LEU 270 Cb 0.44 -1.42 -0.01 0.00 0.53 0.00 0.00 43.42 42.97 2pll n LEU 270 CO 0.11 -0.03 -0.52 -0.24 -1.11 0.00 0.00 177.39 175.61 2pll n SER 271 N 6.29 4.74 -3.68 1.96 2.88 0.71 -4.82 113.62 121.71 2pll n SER 271 Ca 0.21 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.61 2pll n SER 271 Cb 0.32 0.93 -0.08 0.00 -0.75 0.00 0.00 64.21 64.63 2pll n SER 271 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2pll s GLY 272 N -2.35 -0.36 -0.05 0.46 0.00 -0.90 -2.45 107.32 101.67 2pll s GLY 272 Ca -0.00 1.13 -0.04 0.00 0.00 0.00 0.00 44.72 45.80 2pll s GLY 272 CO 0.05 0.90 0.12 -2.27 0.00 0.00 0.00 173.10 171.90 2pll s LEU 273 N -0.42 1.44 -0.03 0.66 2.96 0.62 -0.34 118.68 123.57 2pll s LEU 273 Ca -0.06 0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 2pll s LEU 273 Cb -0.03 0.41 -0.02 0.00 0.50 0.00 0.00 46.19 47.05 2pll s LEU 273 CO 0.03 -0.05 -0.26 -1.81 -1.32 0.00 0.00 176.35 172.94 2pll s ASP 274 N 0.19 3.04 -0.35 3.68 1.01 -0.07 -0.23 116.67 123.96 2pll s ASP 274 Ca -0.01 -0.48 0.04 0.00 0.71 0.00 0.00 52.55 52.81 2pll s ASP 274 Cb -0.02 -0.47 0.10 0.00 1.01 0.00 0.00 42.92 43.54 2pll s ASP 274 CO -0.01 0.30 0.06 -0.63 0.21 0.00 0.00 175.17 175.10 2pll s ILE 275 N -0.49 2.29 0.30 0.77 -1.09 0.30 -0.85 121.20 122.44 2pll s ILE 275 Ca 0.06 -2.39 0.09 0.00 -2.23 0.00 0.00 60.65 56.18 2pll s ILE 275 Cb -0.11 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 2pll s ILE 275 CO 0.00 -0.61 0.05 -0.04 -1.23 0.00 0.00 174.94 173.11 2pll s MET 276 N 0.85 2.29 -1.08 2.79 -1.94 0.25 -2.18 119.30 120.29 2pll s MET 276 Ca 0.11 -1.51 0.00 0.00 -1.71 0.00 0.00 55.69 52.58 2pll s MET 276 Cb -0.19 -2.13 0.00 0.00 2.01 0.00 0.00 34.83 34.51 2pll s MET 276 CO -0.08 0.25 0.00 0.39 -0.01 0.00 0.00 175.02 175.57 2pll n GLU 277 N -0.99 -0.94 -2.63 2.03 -0.58 0.55 -1.63 120.64 116.45 2pll n GLU 277 Ca -0.05 0.82 -0.42 0.00 -0.42 0.00 0.00 57.16 57.09 2pll n GLU 277 Cb 0.60 -4.83 -0.03 0.00 -0.57 0.00 0.00 31.44 26.62 2pll n GLU 277 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2pll s VAL 278 N -2.26 4.66 -0.38 2.62 1.01 -1.26 -4.22 120.40 120.57 2pll s VAL 278 Ca 0.00 1.93 0.01 0.00 0.00 0.00 0.00 61.98 63.92 2pll s VAL 278 Cb 0.00 -4.24 0.13 0.00 0.00 0.00 0.00 36.38 32.27 2pll s VAL 278 CO 0.00 0.02 0.19 0.21 0.00 0.00 0.00 175.10 175.52 2pll s ASN 279 N 1.17 3.57 0.25 3.32 3.84 0.12 -4.19 114.94 123.02 2pll s ASN 279 Ca 0.51 -2.22 -0.03 0.00 0.21 0.00 0.00 52.86 51.32 2pll s ASN 279 Cb -0.20 -0.81 0.43 0.00 -0.55 0.00 0.00 41.25 40.12 2pll s ASN 279 CO 0.20 -0.32 1.80 -0.65 -2.79 0.00 0.00 177.10 175.34 2pll h PRO 280 N 7.20 0.73 0.00 0.43 0.11 -1.77 -1.76 132.00 136.94 2pll h PRO 280 Ca -0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2pll h PRO 280 Cb 0.96 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2pll h PRO 280 CO 0.42 0.48 0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 2pll n SER 281 N -4.78 0.34 -0.19 -2.05 3.41 -1.26 -1.01 113.62 108.09 2pll n SER 281 Ca 0.14 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 2pll n SER 281 Cb 0.32 -0.70 0.05 0.00 -0.26 0.00 0.00 64.21 63.61 2pll n SER 281 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pll n LEU 282 N -1.96 1.24 -4.71 1.04 4.77 -0.66 -4.90 117.00 111.81 2pll n LEU 282 Ca -0.01 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 2pll n LEU 282 Cb 0.02 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2pll n LEU 282 CO 0.06 0.26 1.08 -0.83 -1.33 0.00 0.00 177.39 176.63 2pll s GLY 283 N -2.77 1.94 0.43 -0.72 0.00 -0.18 -4.75 107.32 101.27 2pll s GLY 283 Ca 0.14 1.09 0.19 0.00 0.00 0.00 0.00 44.72 46.14 2pll s GLY 283 CO 0.70 2.40 1.89 0.50 0.00 0.00 0.00 173.10 178.59 2pll h LYS 284 N 7.03 0.00 -4.53 2.90 1.57 -1.90 -3.45 116.57 118.19 2pll h LYS 284 Ca -0.41 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.17 2pll h LYS 284 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.37 2pll h LYS 284 CO 0.87 0.28 -0.68 0.95 -0.57 0.00 0.00 179.45 180.30 2pll s THR 285 N -4.05 0.50 0.54 -0.16 -4.23 -1.26 -5.03 115.64 101.95 2pll s THR 285 Ca -0.02 -1.90 0.29 0.00 -1.18 0.00 0.00 61.69 58.88 2pll s THR 285 Cb 0.13 -1.72 0.34 0.00 1.34 0.00 0.00 72.50 72.59 2pll s THR 285 CO 0.67 -0.83 2.21 -0.65 -0.54 0.00 0.00 174.62 175.48 2pll h PRO 286 N 2.98 0.00 -0.08 3.99 0.11 -1.98 -1.49 132.00 135.53 2pll h PRO 286 Ca -0.35 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.60 2pll h PRO 286 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2pll h PRO 286 CO 0.64 0.04 -0.65 1.49 -0.21 0.00 0.00 178.00 179.31 2pll h GLU 287 N 0.00 0.30 0.00 1.05 4.22 -1.97 -2.38 114.58 115.81 2pll h GLU 287 Ca -0.00 -0.22 -0.09 0.00 0.08 0.00 0.00 59.36 59.13 2pll h GLU 287 Cb 0.10 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2pll h GLU 287 CO 0.00 0.85 -0.42 0.93 -2.18 0.00 0.00 179.01 178.19 2pll h GLU 288 N 0.22 0.00 -0.04 1.92 5.08 -1.66 0.56 114.58 120.66 2pll h GLU 288 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2pll h GLU 288 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2pll h GLU 288 CO 0.11 0.42 -0.09 0.28 -1.00 0.00 0.00 179.01 178.73 2pll h VAL 289 N 0.00 1.43 -0.12 3.13 2.07 -1.28 -1.67 116.25 119.81 2pll h VAL 289 Ca -0.00 -1.42 -0.12 0.00 0.82 0.00 0.00 66.70 65.98 2pll h VAL 289 Cb 0.89 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2pll h VAL 289 CO 0.06 0.39 -0.47 0.71 0.02 0.00 0.00 177.57 178.28 2pll h THR 290 N -0.39 1.33 -0.23 2.57 1.35 -1.35 -0.27 112.91 115.92 2pll h THR 290 Ca 0.00 -1.66 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 2pll h THR 290 Cb 0.67 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 2pll h THR 290 CO 0.02 0.50 0.04 -0.09 -0.25 0.00 0.00 175.52 175.74 2pll h ARG 291 N 0.25 0.38 0.17 4.72 2.43 -0.89 0.32 114.38 121.74 2pll h ARG 291 Ca 0.02 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2pll h ARG 291 Cb 0.92 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2pll h ARG 291 CO 0.08 0.51 -0.08 1.15 -1.51 0.00 0.00 179.97 180.11 2pll h THR 292 N 0.18 0.94 -0.25 0.20 2.02 -1.16 -2.15 112.91 112.68 2pll h THR 292 Ca 0.07 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2pll h THR 292 Cb 0.31 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2pll h THR 292 CO 0.00 0.12 0.16 0.58 0.37 0.00 0.00 175.52 176.75 2pll h VAL 293 N -0.47 1.08 -0.51 3.16 2.07 -1.05 -1.40 116.25 119.13 2pll h VAL 293 Ca -0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2pll h VAL 293 Cb 0.37 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2pll h VAL 293 CO 0.04 0.08 0.27 0.78 0.02 0.00 0.00 177.57 178.76 2pll h ASN 294 N 0.33 0.62 -0.24 0.57 4.21 -0.38 -0.07 115.58 120.60 2pll h ASN 294 Ca 0.09 -0.04 -0.16 0.00 1.21 0.00 0.00 56.30 57.40 2pll h ASN 294 Cb -0.01 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.04 2pll h ASN 294 CO -0.02 0.50 -0.46 0.74 -1.29 0.00 0.00 177.43 176.90 2pll h THR 295 N 0.70 1.30 -0.77 2.81 2.02 -1.13 -1.46 112.91 116.38 2pll h THR 295 Ca 0.18 -1.67 0.01 0.00 0.77 0.00 0.00 66.41 65.70 2pll h THR 295 Cb 0.03 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2pll h THR 295 CO -0.03 0.53 0.51 0.00 0.37 0.00 0.00 175.52 176.90 2pll h ALA 296 N 0.64 0.97 0.33 6.16 0.00 -0.69 -0.76 119.26 125.92 2pll h ALA 296 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2pll h ALA 296 Cb 1.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pll h ALA 296 CO 0.10 0.39 -0.16 0.28 0.00 0.00 0.00 179.25 179.87 2pll h VAL 297 N 1.04 0.70 -0.46 0.00 2.07 -0.95 -1.95 116.25 116.70 2pll h VAL 297 Ca 0.28 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2pll h VAL 297 Cb -0.12 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2pll h VAL 297 CO -0.06 0.07 0.32 0.00 0.02 0.00 0.00 177.57 177.91 2pll h ALA 298 N -0.01 2.17 -0.33 1.67 0.00 -1.05 0.45 119.26 122.17 2pll h ALA 298 Ca -0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2pll h ALA 298 Cb 0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pll h ALA 298 CO 0.07 -0.29 -0.49 0.82 0.00 0.00 0.00 179.25 179.37 2pll h ILE 299 N 0.19 1.27 -0.32 0.00 1.08 -0.96 -2.58 117.51 116.19 2pll h ILE 299 Ca 0.21 -1.67 -0.08 0.00 -0.39 0.00 0.00 64.86 62.93 2pll h ILE 299 Cb 0.59 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 2pll h ILE 299 CO -0.04 0.55 -0.13 0.74 -0.69 0.00 0.00 178.15 178.59 2pll h THR 300 N 0.71 1.29 -0.98 -0.27 2.02 -0.27 -3.00 112.91 112.41 2pll h THR 300 Ca 0.03 -1.21 0.05 0.00 0.77 0.00 0.00 66.41 66.05 2pll h THR 300 Cb 1.10 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.84 2pll h THR 300 CO 0.11 0.39 0.64 -0.07 0.37 0.00 0.00 175.52 176.96 2pll h LEU 301 N 0.42 1.03 -1.07 2.58 3.38 -0.97 -1.51 115.31 119.17 2pll h LEU 301 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2pll h LEU 301 Cb 0.64 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2pll h LEU 301 CO 0.04 0.68 0.43 0.00 0.09 0.00 0.00 178.44 179.68 2pll h ALA 302 N 1.45 1.29 -0.00 1.53 0.00 -1.37 -1.13 119.26 121.04 2pll h ALA 302 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2pll h ALA 302 Cb 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2pll h ALA 302 CO -0.15 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2pll n PHE 304 N -3.27 0.59 0.00 0.00 3.72 -0.49 -4.50 117.46 113.51 2pll n PHE 304 Ca -0.03 -1.55 0.00 0.00 -0.05 0.00 0.00 57.45 55.82 2pll n PHE 304 Cb 0.08 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 2pll n PHE 304 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pll n GLY 305 N -1.12 2.44 3.62 1.37 0.00 -0.99 -4.63 105.19 105.87 2pll n GLY 305 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2pll n GLY 305 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pll s LEU 306 N 0.00 3.75 -0.04 0.99 0.20 -0.84 -4.96 118.68 117.78 2pll s LEU 306 Ca 0.00 1.82 0.03 0.00 0.69 0.00 0.00 54.13 56.67 2pll s LEU 306 Cb 0.00 -3.52 -0.03 0.00 -0.43 0.00 0.00 46.19 42.21 2pll s LEU 306 CO 0.00 -1.56 -0.13 0.00 -0.29 0.00 0.00 176.35 174.38 2pll s ALA 307 N 6.48 2.74 0.11 5.97 0.00 -1.26 -4.26 121.76 131.54 2pll s ALA 307 Ca 0.86 -0.98 0.33 0.00 0.00 0.00 0.00 51.96 52.17 2pll s ALA 307 Cb -0.30 -1.01 1.35 0.00 0.00 0.00 0.00 23.12 23.16 2pll s ALA 307 CO 0.34 0.56 1.98 0.00 0.00 0.00 0.00 175.76 178.65 2pll h ARG 308 N 5.21 0.00 0.00 0.00 3.08 -1.98 -2.38 114.38 118.31 2pll h ARG 308 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2pll h ARG 308 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2pll h ARG 308 CO 0.51 0.02 -0.04 -0.85 -1.07 0.00 0.00 179.97 178.54 2pll n GLU 309 N -3.12 0.08 0.00 0.04 0.28 -1.26 -5.01 120.64 111.65 2pll n GLU 309 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2pll n GLU 309 Cb 0.31 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.59 2pll n GLU 309 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pll n GLY 310 N 1.44 2.36 3.23 -1.84 0.00 -0.90 -5.12 105.19 104.35 2pll n GLY 310 Ca 0.06 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 2pll n GLY 310 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pll s ASN 311 N 0.00 -0.07 0.03 1.61 -0.87 -1.26 -4.53 114.94 109.84 2pll s ASN 311 Ca 0.00 -0.24 -0.27 0.00 -1.57 0.00 0.00 52.86 50.78 2pll s ASN 311 Cb 0.00 0.33 0.07 0.00 -0.02 0.00 0.00 41.25 41.63 2pll s ASN 311 CO 0.00 -0.59 0.62 -1.38 -2.57 0.00 0.00 177.10 173.18 2pll s HIS 312 N -2.54 -0.57 0.50 2.20 -3.43 -1.26 -5.14 115.29 105.05 2pll s HIS 312 Ca -0.05 0.77 -0.06 0.00 -0.80 0.00 0.00 55.06 54.92 2pll s HIS 312 Cb -0.01 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.54 2pll s HIS 312 CO -0.03 -0.68 0.82 0.15 -2.00 0.00 0.00 174.74 173.00 2pll s LYS 313 N -2.12 3.55 -1.15 -0.38 3.01 -1.26 -4.96 119.74 116.44 2pll s LYS 313 Ca -0.07 0.28 -0.21 0.00 -1.01 0.00 0.00 55.97 54.96 2pll s LYS 313 Cb -0.00 -2.33 -0.07 0.00 -1.01 0.00 0.00 37.83 34.41 2pll s LYS 313 CO 0.01 -0.25 1.91 -0.35 0.51 0.00 0.00 175.35 177.18 2pll n PRO 314 N -2.32 1.91 -3.69 -1.68 -0.04 -1.26 -4.82 135.00 123.10 2pll n PRO 314 Ca 0.01 -2.51 -0.14 0.00 -0.04 0.00 0.00 63.50 60.82 2pll n PRO 314 Cb 0.55 -3.54 -0.08 0.00 -0.04 0.00 0.00 33.50 30.39 2pll n PRO 314 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2pll s ILE 315 N 8.56 0.03 -0.51 0.52 1.01 -1.26 -5.10 121.20 124.45 2pll s ILE 315 Ca 0.63 -0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.72 2pll s ILE 315 Cb 0.03 -0.71 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 2pll s ILE 315 CO 0.12 -0.16 1.62 -0.62 0.00 0.00 0.00 174.94 175.90 2pll s ASP 316 N -1.05 5.86 0.31 3.58 3.68 -1.26 -4.83 116.67 122.96 2pll s ASP 316 Ca -0.11 0.56 0.14 0.00 2.13 0.00 0.00 52.55 55.27 2pll s ASP 316 Cb -0.04 -2.54 0.44 0.00 -1.45 0.00 0.00 42.92 39.34 2pll s ASP 316 CO 0.05 -1.87 1.63 1.88 0.13 0.00 0.00 175.17 177.00 2pll h TYR 317 N 12.46 0.00 -0.02 -5.34 0.05 -1.99 -3.54 116.97 118.59 2pll h TYR 317 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2pll h TYR 317 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2pll h TYR 317 CO 1.02 0.53 0.00 1.28 -1.05 0.00 0.00 178.16 179.93