#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa9 s SER 25 N 0.00 6.57 0.30 4.52 0.15 -1.26 -4.85 113.70 119.13 1pa9 s SER 25 Ca 0.00 2.49 0.17 0.00 0.70 0.00 0.00 55.95 59.31 1pa9 s SER 25 Cb 0.00 -2.55 0.90 0.00 -1.71 0.00 0.00 66.02 62.66 1pa9 s SER 25 CO 0.00 -0.94 1.45 -2.65 1.20 0.00 0.00 173.24 172.31 1pa9 n PRO 26 N 6.30 0.11 -0.02 5.44 -0.02 -1.26 -0.33 135.00 145.21 1pa9 n PRO 26 Ca 0.17 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 62.26 1pa9 n PRO 26 Cb 0.41 -2.00 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1pa9 n PRO 26 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pa9 n TYR 27 N -2.11 0.04 -1.14 6.00 4.01 -1.26 -4.65 117.16 118.05 1pa9 n TYR 27 Ca -0.01 -0.56 -0.23 0.00 -0.16 0.00 0.00 57.90 56.94 1pa9 n TYR 27 Cb 0.16 -0.06 0.19 0.00 -0.31 0.00 0.00 39.34 39.32 1pa9 n TYR 27 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pa9 n GLY 28 N -0.52 -2.37 0.33 2.72 0.00 0.55 -4.73 105.19 101.16 1pa9 n GLY 28 Ca 0.03 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1pa9 n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pa9 h PRO 29 N 0.00 0.99 -0.59 1.61 0.11 -1.97 -2.09 132.00 130.06 1pa9 h PRO 29 Ca -0.33 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 1pa9 h PRO 29 Cb 0.97 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1pa9 h PRO 29 CO 0.22 0.66 0.11 1.05 -0.21 0.00 0.00 178.00 179.83 1pa9 h GLU 30 N 1.02 0.96 -0.21 1.05 9.09 -1.92 0.09 114.58 124.66 1pa9 h GLU 30 Ca 0.37 -0.25 -0.02 0.00 0.05 0.00 0.00 59.36 59.51 1pa9 h GLU 30 Cb 0.13 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 1pa9 h GLU 30 CO -0.16 0.90 0.04 0.00 0.05 0.00 0.00 179.01 179.84 1pa9 h ALA 31 N 1.02 0.28 -0.63 1.06 0.00 -1.77 -1.28 119.26 117.95 1pa9 h ALA 31 Ca 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1pa9 h ALA 31 Cb 0.40 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1pa9 h ALA 31 CO 0.01 -0.06 0.39 0.00 0.00 0.00 0.00 179.25 179.59 1pa9 h ARG 32 N 0.15 0.74 -0.69 0.00 3.08 -1.24 -0.22 114.38 116.20 1pa9 h ARG 32 Ca 0.06 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1pa9 h ARG 32 Cb 0.30 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1pa9 h ARG 32 CO 0.00 0.49 0.19 0.00 -1.07 0.00 0.00 179.97 179.58 1pa9 h ALA 33 N 1.27 1.04 -0.55 0.04 0.00 -0.83 -1.15 119.26 119.08 1pa9 h ALA 33 Ca 0.25 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1pa9 h ALA 33 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1pa9 h ALA 33 CO -0.10 0.64 -0.09 1.49 0.00 0.00 0.00 179.25 181.18 1pa9 h GLU 34 N 1.02 1.03 -0.10 0.00 4.57 -0.68 -1.35 114.58 119.06 1pa9 h GLU 34 Ca 0.22 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1pa9 h GLU 34 Cb 0.33 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1pa9 h GLU 34 CO -0.00 1.06 0.05 1.25 -1.18 0.00 0.00 179.01 180.19 1pa9 h LEU 35 N 0.92 0.13 -0.77 1.64 5.85 -0.70 -1.92 115.31 120.47 1pa9 h LEU 35 Ca 0.15 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1pa9 h LEU 35 Cb 0.66 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1pa9 h LEU 35 CO 0.05 0.22 0.51 0.28 -0.34 0.00 0.00 178.44 179.15 1pa9 h SER 36 N 0.04 0.87 -0.39 1.25 0.02 -1.12 -1.39 113.55 112.83 1pa9 h SER 36 Ca 0.04 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1pa9 h SER 36 Cb 0.12 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 1pa9 h SER 36 CO -0.00 0.62 0.11 -1.28 -1.14 0.00 0.00 176.83 175.13 1pa9 h SER 37 N 1.02 0.07 -0.25 3.07 0.87 -0.95 0.29 113.55 117.68 1pa9 h SER 37 Ca 0.29 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 1pa9 h SER 37 Cb -0.09 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1pa9 h SER 37 CO -0.07 0.08 -0.01 0.03 -0.53 0.00 0.00 176.83 176.32 1pa9 h ARG 38 N 0.25 0.44 -0.34 2.24 3.08 -1.01 -2.68 114.38 116.36 1pa9 h ARG 38 Ca 0.19 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1pa9 h ARG 38 Cb 0.20 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1pa9 h ARG 38 CO -0.22 0.62 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.11 1pa9 h LEU 39 N 0.21 0.58 -0.10 3.04 3.38 -0.95 -2.40 115.31 119.07 1pa9 h LEU 39 Ca 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1pa9 h LEU 39 Cb 0.43 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1pa9 h LEU 39 CO 0.01 0.73 0.03 0.74 0.09 0.00 0.00 178.44 180.05 1pa9 h THR 40 N 0.54 1.18 -1.00 0.22 2.02 -0.39 -0.12 112.91 115.36 1pa9 h THR 40 Ca 0.10 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.82 1pa9 h THR 40 Cb 0.53 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 1pa9 h THR 40 CO 0.03 0.16 0.64 0.74 0.37 0.00 0.00 175.52 177.46 1pa9 h THR 41 N -0.02 1.06 -0.38 3.16 2.02 -1.37 0.09 112.91 117.46 1pa9 h THR 41 Ca 0.03 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1pa9 h THR 41 Cb 0.22 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1pa9 h THR 41 CO -0.00 0.21 0.15 0.25 0.37 0.00 0.00 175.52 176.49 1pa9 h LEU 42 N 1.14 0.53 -0.48 2.58 5.85 -1.03 -0.75 115.31 123.16 1pa9 h LEU 42 Ca 0.44 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1pa9 h LEU 42 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1pa9 h LEU 42 CO -0.19 0.57 0.22 -0.09 -0.34 0.00 0.00 178.44 178.61 1pa9 h ARG 43 N 0.47 0.69 0.01 1.25 2.43 -0.22 -1.28 114.38 117.73 1pa9 h ARG 43 Ca 0.13 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1pa9 h ARG 43 Cb 0.20 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1pa9 h ARG 43 CO -0.01 0.59 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.12 1pa9 h ASN 44 N 0.62 -0.05 0.96 -3.80 -0.26 -0.82 -2.31 115.58 109.94 1pa9 h ASN 44 Ca 0.16 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1pa9 h ASN 44 Cb 0.14 0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1pa9 h ASN 44 CO -0.02 -0.03 -0.00 0.71 -1.06 0.00 0.00 177.43 177.03 1pa9 h THR 45 N -0.04 0.01 -0.00 2.81 1.35 -1.04 -2.71 112.91 113.28 1pa9 h THR 45 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1pa9 h THR 45 Cb 0.04 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1pa9 h THR 45 CO -0.01 0.00 -0.28 0.18 -0.25 0.00 0.00 175.52 175.16 1pa9 n LEU 46 N -3.10 0.77 -4.66 3.87 4.77 -0.49 -4.91 117.00 113.25 1pa9 n LEU 46 Ca 0.00 -0.13 -0.44 0.00 -0.03 0.00 0.00 56.01 55.41 1pa9 n LEU 46 Cb 0.29 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1pa9 n LEU 46 CO 0.27 0.15 0.87 0.00 -1.33 0.00 0.00 177.39 177.35 1pa9 n ALA 47 N -0.94 0.84 -2.18 -1.18 0.00 -0.91 -4.51 120.51 111.63 1pa9 n ALA 47 Ca 0.11 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.53 1pa9 n ALA 47 Cb 0.33 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 1pa9 n ALA 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pa9 s PRO 48 N -1.22 4.61 0.53 0.00 0.04 -1.26 -5.05 135.00 132.65 1pa9 s PRO 48 Ca 0.61 1.63 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1pa9 s PRO 48 Cb -0.64 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 30.62 1pa9 s PRO 48 CO 0.57 0.08 0.75 0.00 0.04 0.00 0.00 177.00 178.44 1pa9 s ALA 49 N 0.00 4.03 0.18 8.56 0.00 -1.26 -4.99 121.76 128.29 1pa9 s ALA 49 Ca 0.50 -1.43 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 1pa9 s ALA 49 Cb -0.27 -1.97 -0.09 0.00 0.00 0.00 0.00 23.12 20.78 1pa9 s ALA 49 CO 0.33 -0.70 1.43 0.99 0.00 0.00 0.00 175.76 177.81 1pa9 s THR 50 N -2.70 2.93 -1.47 0.00 2.01 -1.26 -2.03 115.64 113.12 1pa9 s THR 50 Ca 0.57 0.71 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 1pa9 s THR 50 Cb -0.10 -3.46 0.06 0.00 0.01 0.00 0.00 72.50 69.01 1pa9 s THR 50 CO 0.38 0.08 0.94 -3.20 -0.69 0.00 0.00 174.62 172.13 1pa9 n ASN 51 N 3.19 -5.28 -4.69 3.53 5.15 -1.26 -4.87 115.26 111.03 1pa9 n ASN 51 Ca 0.09 -0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 53.02 1pa9 n ASN 51 Cb 0.41 -4.21 -0.03 0.00 -0.53 0.00 0.00 39.78 35.41 1pa9 n ASN 51 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1pa9 n ASP 52 N -2.79 3.94 0.19 1.20 -0.08 -0.86 -4.86 116.55 113.30 1pa9 n ASP 52 Ca 0.01 0.99 0.14 0.00 -1.51 0.00 0.00 54.79 54.42 1pa9 n ASP 52 Cb 0.55 -1.52 0.65 0.00 2.34 0.00 0.00 41.12 43.13 1pa9 n ASP 52 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1pa9 h PRO 53 N 8.49 0.00 0.00 -0.67 0.13 -1.91 -2.17 132.00 135.87 1pa9 h PRO 53 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1pa9 h PRO 53 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pa9 h PRO 53 CO 0.94 0.00 -0.22 0.54 -0.23 0.00 0.00 178.00 179.03 1pa9 n ARG 54 N -2.50 0.11 -4.80 0.86 1.74 -1.26 -4.84 116.66 105.97 1pa9 n ARG 54 Ca 0.00 0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.85 1pa9 n ARG 54 Cb 0.16 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 29.86 1pa9 n ARG 54 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1pa9 s TYR 55 N -3.05 2.20 0.23 -1.55 2.02 -0.82 -0.92 117.35 115.46 1pa9 s TYR 55 Ca 0.11 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.10 1pa9 s TYR 55 Cb 0.16 -1.31 -0.11 0.00 -0.40 0.00 0.00 41.96 40.30 1pa9 s TYR 55 CO 0.62 0.14 1.64 -1.17 -1.57 0.00 0.00 175.55 175.21 1pa9 s LEU 56 N -1.31 4.36 0.06 -1.29 2.96 0.12 -4.65 118.68 118.94 1pa9 s LEU 56 Ca 0.11 2.84 0.01 0.00 -0.22 0.00 0.00 54.13 56.87 1pa9 s LEU 56 Cb -0.10 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1pa9 s LEU 56 CO 0.02 -0.92 0.14 -1.10 -1.32 0.00 0.00 176.35 173.17 1pa9 s GLN 57 N 0.59 3.14 0.60 1.98 -1.52 -1.26 -4.69 119.66 118.51 1pa9 s GLN 57 Ca 0.70 -0.56 -0.17 0.00 -1.95 0.00 0.00 55.36 53.37 1pa9 s GLN 57 Cb -0.48 -2.88 -0.03 0.00 -0.22 0.00 0.00 33.01 29.41 1pa9 s GLN 57 CO 0.37 0.59 1.14 0.00 -0.25 0.00 0.00 175.29 177.14 1pa9 s ALA 58 N -1.43 2.56 -0.62 6.09 0.00 -1.26 -4.98 121.76 122.11 1pa9 s ALA 58 Ca 0.31 0.76 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 1pa9 s ALA 58 Cb -0.13 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.70 1pa9 s ALA 58 CO 0.24 -1.08 0.91 0.00 0.00 0.00 0.00 175.76 175.84 1pa9 n GLY 60 N 5.28 -0.52 1.65 0.00 0.00 -1.26 -2.29 105.19 108.05 1pa9 n GLY 60 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1pa9 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pa9 n GLY 61 N -0.88 2.30 3.68 -0.02 0.00 -1.26 -5.01 105.19 104.00 1pa9 n GLY 61 Ca -0.15 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 1pa9 n GLY 61 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pa9 n GLU 62 N 0.00 2.61 -2.00 1.61 2.13 -0.97 -4.90 120.64 119.12 1pa9 n GLU 62 Ca 0.00 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.35 1pa9 n GLU 62 Cb 0.00 -2.83 -0.03 0.00 0.27 0.00 0.00 31.44 28.85 1pa9 n GLU 62 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1pa9 s LYS 63 N 2.96 4.23 -0.18 5.31 0.00 -1.26 -4.14 119.74 126.66 1pa9 s LYS 63 Ca 0.84 2.25 -0.11 0.00 0.00 0.00 0.00 55.97 58.95 1pa9 s LYS 63 Cb -0.54 -3.44 -0.08 0.00 0.00 0.00 0.00 37.83 33.77 1pa9 s LYS 63 CO 0.41 -0.64 -0.27 -0.11 0.00 0.00 0.00 175.35 174.74 1pa9 n LEU 64 N 4.95 1.55 -4.71 2.77 7.94 -1.26 -4.98 117.00 123.26 1pa9 n LEU 64 Ca 0.14 0.26 -0.40 0.00 -1.11 0.00 0.00 56.01 54.91 1pa9 n LEU 64 Cb 0.41 -0.63 -0.05 0.00 0.53 0.00 0.00 43.42 43.69 1pa9 n LEU 64 CO 0.61 0.21 0.43 0.20 -1.11 0.00 0.00 177.39 177.73 1pa9 s ASN 65 N -6.63 7.00 0.29 1.96 0.01 -1.26 -4.52 114.94 111.79 1pa9 s ASN 65 Ca -0.27 1.20 0.01 0.00 -0.71 0.00 0.00 52.86 53.09 1pa9 s ASN 65 Cb 0.09 -2.42 0.45 0.00 0.41 0.00 0.00 41.25 39.77 1pa9 s ASN 65 CO 0.36 -0.16 1.79 -0.09 -1.51 0.00 0.00 177.10 177.49 1pa9 h ARG 66 N 6.85 0.61 -4.49 -0.60 2.43 -1.92 -3.39 114.38 113.87 1pa9 h ARG 66 Ca -0.39 -0.17 -0.59 0.00 -0.81 0.00 0.00 59.98 58.01 1pa9 h ARG 66 Cb 1.19 -0.07 -0.37 0.00 -0.42 0.00 0.00 29.97 30.30 1pa9 h ARG 66 CO 0.76 0.69 -0.81 -0.06 -1.51 0.00 0.00 179.97 179.04 1pa9 s PHE 67 N -4.84 2.14 0.34 2.20 0.08 -1.26 -5.04 117.98 111.60 1pa9 s PHE 67 Ca -0.08 -1.33 0.12 0.00 0.12 0.00 0.00 56.93 55.76 1pa9 s PHE 67 Cb 0.15 -1.53 1.06 0.00 -0.57 0.00 0.00 43.02 42.13 1pa9 s PHE 67 CO 0.79 -0.68 1.59 0.00 -0.10 0.00 0.00 175.22 176.82 1pa9 h ARG 68 N 8.04 0.06 -0.16 0.44 3.08 -2.02 0.13 114.38 123.94 1pa9 h ARG 68 Ca -0.30 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1pa9 h ARG 68 Cb 1.11 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1pa9 h ARG 68 CO 0.47 0.04 0.00 -0.25 -1.07 0.00 0.00 179.97 179.16 1pa9 n ASP 69 N -5.31 1.98 -4.07 7.04 10.43 -1.26 -4.59 116.55 120.77 1pa9 n ASP 69 Ca 0.31 -1.73 -0.35 0.00 2.57 0.00 0.00 54.79 55.58 1pa9 n ASP 69 Cb 1.02 -0.10 -0.10 0.00 1.84 0.00 0.00 41.12 43.78 1pa9 n ASP 69 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1pa9 s ILE 70 N -1.80 3.53 0.51 0.53 1.01 0.44 -4.84 121.20 120.58 1pa9 s ILE 70 Ca 0.34 -3.06 0.09 0.00 0.00 0.00 0.00 60.65 58.02 1pa9 s ILE 70 Cb 0.19 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.39 1pa9 s ILE 70 CO 0.29 -0.87 0.68 -1.10 0.00 0.00 0.00 174.94 173.94 1pa9 s GLN 71 N -0.15 2.51 -0.29 2.79 -0.21 -1.26 -4.58 119.66 118.47 1pa9 s GLN 71 Ca 0.17 -1.49 -0.07 0.00 0.02 0.00 0.00 55.36 53.99 1pa9 s GLN 71 Cb -0.21 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.13 1pa9 s GLN 71 CO -0.03 -0.61 0.09 0.00 -2.12 0.00 0.00 175.29 172.62 1pa9 n ARG 73 N 4.89 1.90 -0.11 0.00 3.00 -0.66 0.16 116.66 125.83 1pa9 n ARG 73 Ca -0.15 0.70 -0.08 0.00 -0.00 0.00 0.00 57.85 58.32 1pa9 n ARG 73 Cb 0.48 -2.49 -0.01 0.00 0.00 0.00 0.00 32.46 30.45 1pa9 n ARG 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1pa9 h ARG 74 N 8.41 0.48 -0.52 -0.14 2.43 -1.30 -2.19 114.38 121.54 1pa9 h ARG 74 Ca -0.48 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 58.77 1pa9 h ARG 74 Cb 1.28 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1pa9 h ARG 74 CO 0.94 0.32 0.36 1.96 -1.51 0.00 0.00 179.97 182.04 1pa9 h GLN 75 N 0.49 0.24 -0.34 0.20 7.50 -1.90 -2.50 115.11 118.81 1pa9 h GLN 75 Ca 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.27 1pa9 h GLN 75 Cb -0.05 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.42 1pa9 h GLN 75 CO -0.03 0.16 0.00 0.25 -1.50 0.00 0.00 178.83 177.71 1pa9 n THR 76 N -4.45 1.03 -1.72 -0.54 -2.24 -1.13 -5.03 114.28 100.19 1pa9 n THR 76 Ca 0.09 -1.02 -0.41 0.00 -2.27 0.00 0.00 64.05 60.44 1pa9 n THR 76 Cb 0.41 0.48 0.01 0.00 -2.10 0.00 0.00 70.33 69.14 1pa9 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pa9 n ALA 77 N 0.49 1.57 -0.01 6.98 0.00 -0.84 -1.15 120.51 127.55 1pa9 n ALA 77 Ca 0.12 0.26 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 1pa9 n ALA 77 Cb 0.44 -2.31 -0.13 0.00 0.00 0.00 0.00 19.45 17.44 1pa9 n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pa9 h VAL 78 N 2.20 1.06 -3.72 0.00 2.07 -1.76 -3.45 116.25 112.65 1pa9 h VAL 78 Ca -0.49 -2.37 -0.21 0.00 0.82 0.00 0.00 66.70 64.45 1pa9 h VAL 78 Cb 1.28 2.70 -0.26 0.00 -1.52 0.00 0.00 31.29 33.49 1pa9 h VAL 78 CO 0.60 0.65 -0.68 -0.13 0.02 0.00 0.00 177.57 178.04 1pa9 s ARG 79 N -2.45 0.10 0.55 1.57 0.52 -1.26 -5.05 118.95 112.94 1pa9 s ARG 79 Ca -0.21 -0.10 0.26 0.00 -0.52 0.00 0.00 55.73 55.16 1pa9 s ARG 79 Cb 0.04 0.04 1.47 0.00 0.52 0.00 0.00 34.95 37.02 1pa9 s ARG 79 CO 0.74 -0.02 2.01 0.00 0.02 0.00 0.00 175.30 178.06 1pa9 h ALA 80 N 5.76 2.27 -0.42 2.13 0.00 -1.98 -2.26 119.26 124.76 1pa9 h ALA 80 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1pa9 h ALA 80 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pa9 h ALA 80 CO 0.47 -0.55 0.00 -0.40 0.00 0.00 0.00 179.25 178.77 1pa9 n ASP 81 N -4.14 4.20 -4.30 0.00 5.75 -1.26 -4.89 116.55 111.90 1pa9 n ASP 81 Ca 0.07 -2.68 -0.22 0.00 -0.01 0.00 0.00 54.79 51.95 1pa9 n ASP 81 Cb 0.53 -0.51 -0.12 0.00 -1.03 0.00 0.00 41.12 39.99 1pa9 n ASP 81 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pa9 s LEU 82 N -2.24 2.38 -0.92 -2.12 1.43 -0.85 -4.93 118.68 111.44 1pa9 s LEU 82 Ca 0.43 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 1pa9 s LEU 82 Cb 0.31 -0.81 0.24 0.00 0.03 0.00 0.00 46.19 45.96 1pa9 s LEU 82 CO 0.15 -0.02 0.86 0.21 0.23 0.00 0.00 176.35 177.78 1pa9 s ASN 83 N -2.37 6.77 -0.14 2.29 3.84 -1.26 -4.68 114.94 119.39 1pa9 s ASN 83 Ca 0.11 -3.10 -0.19 0.00 0.21 0.00 0.00 52.86 49.89 1pa9 s ASN 83 Cb -0.07 -2.16 0.05 0.00 -0.55 0.00 0.00 41.25 38.52 1pa9 s ASN 83 CO 0.05 -0.42 0.50 0.00 -2.79 0.00 0.00 177.10 174.44 1pa9 s ALA 84 N -0.47 -1.25 0.04 1.71 0.00 -1.26 -1.97 121.76 118.55 1pa9 s ALA 84 Ca 0.23 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.44 1pa9 s ALA 84 Cb -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1pa9 s ALA 84 CO -0.08 -0.26 -0.11 -0.80 0.00 0.00 0.00 175.76 174.51 1pa9 s ASN 85 N -0.25 1.22 0.07 0.00 -0.87 0.24 -2.17 114.94 113.19 1pa9 s ASN 85 Ca -0.04 -0.45 -0.30 0.00 -1.57 0.00 0.00 52.86 50.49 1pa9 s ASN 85 Cb -0.03 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.25 41.10 1pa9 s ASN 85 CO 0.03 -0.06 1.03 -0.31 -2.57 0.00 0.00 177.10 175.22 1pa9 s TYR 86 N -0.97 3.65 -0.03 2.20 2.02 -0.30 -1.34 117.35 122.58 1pa9 s TYR 86 Ca -0.03 1.64 0.03 0.00 -0.37 0.00 0.00 57.07 58.35 1pa9 s TYR 86 Cb -0.08 -3.18 -0.00 0.00 -0.40 0.00 0.00 41.96 38.30 1pa9 s TYR 86 CO 0.01 -0.27 -0.12 0.42 -1.57 0.00 0.00 175.55 174.02 1pa9 s ILE 87 N 0.55 1.04 -0.18 2.71 1.01 0.45 -4.89 121.20 121.90 1pa9 s ILE 87 Ca 0.51 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 1pa9 s ILE 87 Cb -0.24 -0.91 0.05 0.00 0.01 0.00 0.00 42.46 41.37 1pa9 s ILE 87 CO 0.30 0.31 -0.01 -1.58 0.00 0.00 0.00 174.94 173.96 1pa9 s GLN 88 N 0.09 1.04 -0.42 2.79 0.74 -1.26 -0.30 119.66 122.35 1pa9 s GLN 88 Ca -0.03 -0.47 -0.09 0.00 0.05 0.00 0.00 55.36 54.82 1pa9 s GLN 88 Cb -0.09 -2.02 0.08 0.00 1.10 0.00 0.00 33.01 32.08 1pa9 s GLN 88 CO 0.01 -0.53 0.25 0.08 -0.55 0.00 0.00 175.29 174.56 1pa9 s VAL 89 N 1.73 4.23 0.00 1.34 1.01 -0.46 -4.86 120.40 123.39 1pa9 s VAL 89 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1pa9 s VAL 89 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1pa9 s VAL 89 CO -0.07 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.15 1pa9 n GLY 90 N 4.92 1.48 0.00 4.51 0.00 -1.26 -1.69 105.19 113.14 1pa9 n GLY 90 Ca -0.10 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1pa9 n GLY 90 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pa9 n ASN 91 N 9.90 0.97 -4.66 1.61 3.02 -1.26 -5.00 115.26 119.84 1pa9 n ASN 91 Ca 0.00 -0.54 -0.43 0.00 -0.03 0.00 0.00 54.58 53.59 1pa9 n ASN 91 Cb 0.00 1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 40.23 1pa9 n ASN 91 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1pa9 s THR 92 N -1.90 4.39 -0.19 3.41 2.01 -0.68 -5.02 115.64 117.65 1pa9 s THR 92 Ca 0.02 1.68 -0.07 0.00 0.31 0.00 0.00 61.69 63.62 1pa9 s THR 92 Cb 0.06 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1pa9 s THR 92 CO 0.32 -0.14 0.06 -0.13 -0.69 0.00 0.00 174.62 174.05 1pa9 s ARG 93 N 3.31 3.93 0.15 4.92 0.52 -1.26 -1.35 118.95 129.16 1pa9 s ARG 93 Ca 0.52 -0.36 -0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1pa9 s ARG 93 Cb -0.20 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1pa9 s ARG 93 CO 0.13 0.20 0.20 0.25 0.02 0.00 0.00 175.30 176.10 1pa9 n THR 94 N 3.74 0.00 -3.93 0.02 -2.24 0.59 -4.14 114.28 108.33 1pa9 n THR 94 Ca -0.16 -0.83 -0.21 0.00 -2.27 0.00 0.00 64.05 60.57 1pa9 n THR 94 Cb 0.52 0.49 -0.17 0.00 -2.10 0.00 0.00 70.33 69.07 1pa9 n THR 94 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pa9 s ILE 95 N -2.60 0.42 -0.11 2.28 1.01 -0.38 -0.41 121.20 121.40 1pa9 s ILE 95 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1pa9 s ILE 95 Cb -0.00 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1pa9 s ILE 95 CO 0.10 0.23 -0.16 0.00 0.00 0.00 0.00 174.94 175.11 1pa9 s ALA 96 N 1.46 2.49 0.25 9.38 0.00 -0.45 -0.76 121.76 134.14 1pa9 s ALA 96 Ca -0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1pa9 s ALA 96 Cb -0.13 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1pa9 s ALA 96 CO -0.03 0.30 0.27 0.00 0.00 0.00 0.00 175.76 176.30 1pa9 s GLN 98 N -3.87 2.95 0.02 0.00 -2.07 -0.83 -3.94 119.66 111.92 1pa9 s GLN 98 Ca 0.35 -0.08 -0.30 0.00 -1.82 0.00 0.00 55.36 53.51 1pa9 s GLN 98 Cb 0.04 -2.32 -0.07 0.00 -1.09 0.00 0.00 33.01 29.57 1pa9 s GLN 98 CO 0.15 -0.63 1.66 -0.47 -1.32 0.00 0.00 175.29 174.68 1pa9 s TYR 99 N -2.92 2.23 0.31 9.60 6.14 -0.68 -4.89 117.35 127.14 1pa9 s TYR 99 Ca 0.53 0.26 -0.29 0.00 0.64 0.00 0.00 57.07 58.21 1pa9 s TYR 99 Cb -0.10 -3.94 -0.13 0.00 0.42 0.00 0.00 41.96 38.21 1pa9 s TYR 99 CO 0.44 -3.87 1.33 -0.35 0.64 0.00 0.00 175.55 173.74 1pa9 n PRO 100 N 6.21 2.13 -1.56 4.97 -0.04 -1.26 -4.94 135.00 140.51 1pa9 n PRO 100 Ca 0.16 0.75 -0.30 0.00 -0.04 0.00 0.00 63.50 64.07 1pa9 n PRO 100 Cb 0.42 -2.36 0.08 0.00 -0.04 0.00 0.00 33.50 31.60 1pa9 n PRO 100 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pa9 s LEU 101 N -0.72 2.68 0.24 1.53 1.43 -1.26 -4.53 118.68 118.05 1pa9 s LEU 101 Ca 0.59 1.35 -0.04 0.00 -1.03 0.00 0.00 54.13 55.00 1pa9 s LEU 101 Cb -0.58 -4.01 0.43 0.00 0.03 0.00 0.00 46.19 42.06 1pa9 s LEU 101 CO 0.58 -1.89 1.76 -0.61 0.23 0.00 0.00 176.35 176.43 1pa9 h GLN 102 N -1.03 0.56 0.00 1.70 5.75 -1.94 -1.50 115.11 118.65 1pa9 h GLN 102 Ca -0.46 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1pa9 h GLN 102 Cb 1.26 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1pa9 h GLN 102 CO 0.59 0.37 0.00 0.66 -2.65 0.00 0.00 178.83 177.80 1pa9 h SER 103 N 0.58 0.00 0.02 -0.69 4.64 -1.97 -3.09 113.55 113.04 1pa9 h SER 103 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1pa9 h SER 103 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1pa9 h SER 103 CO -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.53 1pa9 n GLN 104 N -2.73 1.71 -0.05 4.77 6.02 -0.57 -4.58 117.38 121.95 1pa9 n GLN 104 Ca 0.02 -1.22 -0.08 0.00 -0.01 0.00 0.00 57.00 55.71 1pa9 n GLN 104 Cb 0.31 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 1pa9 n GLN 104 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pa9 h LEU 105 N 2.97 -0.61 -0.67 1.08 3.38 -1.45 0.30 115.31 120.31 1pa9 h LEU 105 Ca 0.00 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1pa9 h LEU 105 Cb 0.70 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1pa9 h LEU 105 CO 0.00 -0.23 0.41 -0.08 0.09 0.00 0.00 178.44 178.63 1pa9 h GLU 106 N -0.19 0.77 -0.40 1.13 4.81 -1.84 0.15 114.58 119.01 1pa9 h GLU 106 Ca 0.13 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1pa9 h GLU 106 Cb 0.39 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1pa9 h GLU 106 CO -0.35 0.51 -0.14 1.03 -0.73 0.00 0.00 179.01 179.34 1pa9 h SER 107 N 0.80 0.71 -0.55 1.04 0.87 -1.75 -1.13 113.55 113.54 1pa9 h SER 107 Ca 0.27 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1pa9 h SER 107 Cb 0.04 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1pa9 h SER 107 CO -0.12 0.87 0.26 -0.74 -0.53 0.00 0.00 176.83 176.57 1pa9 h HIS 108 N 0.65 0.79 -0.11 2.24 -0.00 0.56 -0.81 115.15 118.47 1pa9 h HIS 108 Ca 0.11 -0.04 -0.12 0.00 -0.00 0.00 0.00 60.37 60.32 1pa9 h HIS 108 Cb 0.60 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1pa9 h HIS 108 CO 0.03 0.62 -0.45 0.74 -0.00 0.00 0.00 177.93 178.87 1pa9 h PHE 109 N 0.73 0.33 -0.53 5.26 0.04 -0.47 -2.17 116.94 120.13 1pa9 h PHE 109 Ca 0.19 -0.10 -0.12 0.00 2.80 0.00 0.00 57.97 60.74 1pa9 h PHE 109 Cb 0.13 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 1pa9 h PHE 109 CO -0.00 0.68 -0.12 -0.09 -0.60 0.00 0.00 178.31 178.18 1pa9 h ARG 110 N 0.22 1.02 -0.67 1.51 9.65 -0.81 -1.42 114.38 123.88 1pa9 h ARG 110 Ca 0.02 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.50 1pa9 h ARG 110 Cb 0.88 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.37 1pa9 h ARG 110 CO 0.07 1.08 0.37 1.98 2.80 0.00 0.00 179.97 186.27 1pa9 h MET 111 N 0.90 0.93 -0.50 0.20 4.05 -0.94 0.49 114.93 120.05 1pa9 h MET 111 Ca 0.14 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1pa9 h MET 111 Cb 0.69 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1pa9 h MET 111 CO 0.05 0.70 0.26 -0.07 0.23 0.00 0.00 176.91 178.08 1pa9 h LEU 112 N 0.92 0.64 -0.01 3.39 3.38 -1.14 -1.85 115.31 120.64 1pa9 h LEU 112 Ca 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pa9 h LEU 112 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1pa9 h LEU 112 CO -0.04 0.56 -0.01 0.00 0.09 0.00 0.00 178.44 179.05 1pa9 h ALA 113 N 1.10 0.01 -0.04 1.53 0.00 -1.04 -2.28 119.26 118.54 1pa9 h ALA 113 Ca 0.18 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pa9 h ALA 113 Cb 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1pa9 h ALA 113 CO -0.03 -0.23 0.03 0.93 0.00 0.00 0.00 179.25 179.96 1pa9 h GLU 114 N -0.50 0.00 -0.00 0.00 5.08 -0.89 0.12 114.58 118.40 1pa9 h GLU 114 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pa9 h GLU 114 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pa9 h GLU 114 CO 0.00 0.00 -0.24 -1.71 -1.00 0.00 0.00 179.01 176.07 1pa9 n ASN 115 N -4.10 0.63 -3.62 1.42 5.15 -0.70 -4.90 115.26 109.13 1pa9 n ASN 115 Ca -0.02 -0.52 -0.27 0.00 -0.60 0.00 0.00 54.58 53.17 1pa9 n ASN 115 Cb 0.13 0.03 0.02 0.00 -0.53 0.00 0.00 39.78 39.43 1pa9 n ASN 115 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pa9 n ARG 116 N -1.02 -4.75 -1.21 1.20 5.12 0.03 0.12 116.66 116.15 1pa9 n ARG 116 Ca 0.11 0.60 -0.55 0.00 -1.93 0.00 0.00 57.85 56.08 1pa9 n ARG 116 Cb 0.32 -5.43 -0.10 0.00 -1.16 0.00 0.00 32.46 26.08 1pa9 n ARG 116 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1pa9 n THR 117 N -4.43 0.00 0.24 0.55 -1.04 -0.88 -4.47 114.28 104.25 1pa9 n THR 117 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.15 1pa9 n THR 117 Cb 0.54 -0.45 0.50 0.00 -1.82 0.00 0.00 70.33 69.11 1pa9 n THR 117 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1pa9 h PRO 118 N 7.47 0.00 -1.54 -2.82 0.13 -1.82 -3.40 132.00 130.01 1pa9 h PRO 118 Ca -0.15 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.07 1pa9 h PRO 118 Cb 1.27 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.13 1pa9 h PRO 118 CO 0.97 0.10 0.46 0.54 -0.23 0.00 0.00 178.00 179.84 1pa9 s VAL 119 N -3.57 0.00 -0.24 1.56 0.11 -1.26 -3.91 120.40 113.09 1pa9 s VAL 119 Ca 0.02 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1pa9 s VAL 119 Cb 0.09 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1pa9 s VAL 119 CO 0.60 0.00 -0.08 -0.22 -3.33 0.00 0.00 175.10 172.08 1pa9 s LEU 120 N 0.58 3.06 -0.32 2.54 2.96 -0.44 -1.11 118.68 125.95 1pa9 s LEU 120 Ca -0.00 -0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 52.97 1pa9 s LEU 120 Cb -0.05 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 45.01 1pa9 s LEU 120 CO -0.10 -0.11 0.16 0.00 -1.32 0.00 0.00 176.35 174.98 1pa9 s ALA 121 N 1.32 3.25 -0.27 5.97 0.00 0.69 -1.06 121.76 131.66 1pa9 s ALA 121 Ca 0.01 -1.48 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 1pa9 s ALA 121 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1pa9 s ALA 121 CO -0.05 -1.02 0.09 0.08 0.00 0.00 0.00 175.76 174.85 1pa9 s VAL 122 N 1.59 4.31 -1.89 0.00 1.01 -0.43 -1.32 120.40 123.66 1pa9 s VAL 122 Ca 0.04 -0.33 0.19 0.00 0.00 0.00 0.00 61.98 61.87 1pa9 s VAL 122 Cb -0.18 -3.10 0.40 0.00 0.00 0.00 0.00 36.38 33.51 1pa9 s VAL 122 CO 0.06 0.23 1.33 0.18 0.00 0.00 0.00 175.10 176.90 1pa9 n LEU 123 N 4.93 3.28 -4.76 3.92 4.77 0.14 -1.16 117.00 128.11 1pa9 n LEU 123 Ca -0.15 -1.66 -0.40 0.00 -0.03 0.00 0.00 56.01 53.77 1pa9 n LEU 123 Cb 0.50 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1pa9 n LEU 123 CO 0.32 0.75 0.68 0.00 -1.33 0.00 0.00 177.39 177.80 1pa9 s ALA 124 N -1.21 3.33 0.69 -1.18 0.00 -1.26 -4.64 121.76 117.48 1pa9 s ALA 124 Ca 0.34 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1pa9 s ALA 124 Cb 0.19 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1pa9 s ALA 124 CO 0.26 0.13 1.06 -1.54 0.00 0.00 0.00 175.76 175.68 1pa9 s SER 125 N -1.20 5.50 0.37 0.00 1.04 -1.26 -4.58 113.70 113.56 1pa9 s SER 125 Ca 0.43 1.44 0.06 0.00 0.48 0.00 0.00 55.95 58.37 1pa9 s SER 125 Cb -0.26 -2.34 0.71 0.00 0.10 0.00 0.00 66.02 64.23 1pa9 s SER 125 CO 0.32 -1.34 1.94 0.28 0.98 0.00 0.00 173.24 175.42 1pa9 h SER 126 N -0.65 0.46 -0.56 7.02 0.02 -1.55 -2.33 113.55 115.96 1pa9 h SER 126 Ca -0.44 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.34 1pa9 h SER 126 Cb 1.22 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 1pa9 h SER 126 CO 0.60 0.47 -0.05 0.28 -1.14 0.00 0.00 176.83 176.99 1pa9 h SER 127 N 0.50 1.02 -0.05 3.07 0.02 -1.93 -0.98 113.55 115.20 1pa9 h SER 127 Ca 0.12 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1pa9 h SER 127 Cb 0.19 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1pa9 h SER 127 CO -0.00 1.09 0.01 -0.33 -1.14 0.00 0.00 176.83 176.46 1pa9 h GLU 128 N 0.93 0.08 -0.37 3.45 5.08 -1.82 -2.11 114.58 119.82 1pa9 h GLU 128 Ca 0.16 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1pa9 h GLU 128 Cb 0.60 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1pa9 h GLU 128 CO 0.04 0.30 0.02 0.97 -1.00 0.00 0.00 179.01 179.34 1pa9 h ILE 129 N -0.15 1.20 -0.27 3.13 -0.00 -1.39 -2.92 117.51 117.11 1pa9 h ILE 129 Ca 0.02 -0.78 -0.15 0.00 -0.00 0.00 0.00 64.86 63.94 1pa9 h ILE 129 Cb 0.26 0.90 -0.01 0.00 -0.00 0.00 0.00 36.82 37.97 1pa9 h ILE 129 CO 0.00 0.27 -0.45 0.00 -0.00 0.00 0.00 178.15 177.97 1pa9 h ALA 130 N 1.48 0.69 -1.58 0.18 0.00 -1.10 -3.42 119.26 115.51 1pa9 h ALA 130 Ca 0.12 -0.47 -0.51 0.00 0.00 0.00 0.00 54.91 54.04 1pa9 h ALA 130 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1pa9 h ALA 130 CO 0.01 0.67 1.35 1.21 0.00 0.00 0.00 179.25 182.49 1pa9 s ASN 131 N -6.88 5.37 0.20 0.00 3.84 -0.80 -4.84 114.94 111.83 1pa9 s ASN 131 Ca -0.09 0.59 0.15 0.00 0.21 0.00 0.00 52.86 53.72 1pa9 s ASN 131 Cb 0.11 -2.53 0.77 0.00 -0.55 0.00 0.00 41.25 39.06 1pa9 s ASN 131 CO 0.85 -2.25 1.45 0.00 -2.79 0.00 0.00 177.10 174.36 1pa9 n GLN 132 N 8.99 0.09 0.28 0.43 1.13 -1.26 -1.29 117.38 125.75 1pa9 n GLN 132 Ca 0.22 0.55 0.17 0.00 -1.94 0.00 0.00 57.00 56.01 1pa9 n GLN 132 Cb 0.51 -1.79 0.69 0.00 0.11 0.00 0.00 30.24 29.77 1pa9 n GLN 132 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1pa9 h ARG 133 N 0.00 0.00 -0.00 -1.09 9.65 -1.92 -2.71 114.38 118.31 1pa9 h ARG 133 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1pa9 h ARG 133 Cb 0.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1pa9 h ARG 133 CO 0.00 0.00 -0.34 1.19 2.80 0.00 0.00 179.97 183.62 1pa9 n PHE 134 N -3.10 0.00 -3.78 2.20 3.72 -0.41 -4.97 117.46 111.12 1pa9 n PHE 134 Ca 0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.18 1pa9 n PHE 134 Cb 0.30 -0.29 0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1pa9 n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pa9 n GLY 135 N 1.47 -0.28 3.06 1.37 0.00 -1.02 -4.95 105.19 104.83 1pa9 n GLY 135 Ca 0.07 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1pa9 n GLY 135 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pa9 s MET 136 N -6.17 2.22 0.23 1.61 -1.94 -1.26 -4.59 119.30 109.40 1pa9 s MET 136 Ca 0.05 -2.36 -0.31 0.00 -1.71 0.00 0.00 55.69 51.36 1pa9 s MET 136 Cb -0.03 -3.56 -0.13 0.00 2.01 0.00 0.00 34.83 33.12 1pa9 s MET 136 CO 0.83 -1.12 1.43 -0.35 -0.01 0.00 0.00 175.02 175.81 1pa9 n PRO 137 N 3.68 2.06 -1.64 2.03 -0.04 -1.26 -4.69 135.00 135.15 1pa9 n PRO 137 Ca 0.05 0.74 -0.41 0.00 -0.04 0.00 0.00 63.50 63.84 1pa9 n PRO 137 Cb 0.38 -2.41 -0.01 0.00 -0.04 0.00 0.00 33.50 31.42 1pa9 n PRO 137 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1pa9 n ASP 138 N 2.27 6.03 0.05 3.54 2.03 -1.26 -4.72 116.55 124.49 1pa9 n ASP 138 Ca 0.12 -2.78 0.13 0.00 0.52 0.00 0.00 54.79 52.78 1pa9 n ASP 138 Cb 0.31 -1.59 0.51 0.00 -0.72 0.00 0.00 41.12 39.63 1pa9 n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pa9 n TYR 139 N 4.73 0.40 0.10 -0.67 0.18 -1.26 -4.13 117.16 116.51 1pa9 n TYR 139 Ca 0.62 0.12 0.03 0.00 1.88 0.00 0.00 57.90 60.55 1pa9 n TYR 139 Cb 0.32 -0.70 -0.04 0.00 -0.38 0.00 0.00 39.34 38.54 1pa9 n TYR 139 CO 0.00 0.00 0.00 1.97 -2.08 0.00 0.00 176.86 176.75 1pa9 n PHE 140 N -1.83 0.00 1.22 -3.48 -1.74 -1.26 -4.63 117.46 105.74 1pa9 n PHE 140 Ca 0.06 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.08 1pa9 n PHE 140 Cb 0.35 -0.08 0.35 0.00 1.52 0.00 0.00 39.48 41.63 1pa9 n PHE 140 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1pa9 n ARG 141 N -1.48 0.80 -3.85 3.97 1.74 -1.26 -4.75 116.66 111.84 1pa9 n ARG 141 Ca -0.00 -0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 56.49 1pa9 n ARG 141 Cb 0.12 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 1pa9 n ARG 141 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1pa9 s GLN 142 N -2.53 0.64 0.77 5.56 -2.07 -1.26 -4.94 119.66 115.84 1pa9 s GLN 142 Ca 0.23 -0.55 -0.11 0.00 -1.82 0.00 0.00 55.36 53.11 1pa9 s GLN 142 Cb 0.19 0.27 0.06 0.00 -1.09 0.00 0.00 33.01 32.43 1pa9 s GLN 142 CO 0.53 -0.18 1.08 -1.12 -1.32 0.00 0.00 175.29 174.29 1pa9 s SER 143 N -1.88 4.58 0.07 12.60 0.01 -1.26 -4.53 113.70 123.28 1pa9 s SER 143 Ca -0.08 1.68 -0.27 0.00 1.31 0.00 0.00 55.95 58.59 1pa9 s SER 143 Cb -0.03 -2.43 0.09 0.00 0.21 0.00 0.00 66.02 63.87 1pa9 s SER 143 CO -0.02 -1.97 1.14 -0.83 0.41 0.00 0.00 173.24 171.97 1pa9 s GLY 144 N -3.54 -0.26 -0.07 3.44 0.00 -0.16 -4.96 107.32 101.77 1pa9 s GLY 144 Ca 0.61 0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.65 1pa9 s GLY 144 CO 0.56 0.84 -0.13 -1.59 0.00 0.00 0.00 173.10 172.78 1pa9 s THR 145 N -2.66 1.24 -0.23 0.90 2.01 -1.26 0.15 115.64 115.80 1pa9 s THR 145 Ca 0.16 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1pa9 s THR 145 Cb 0.01 -1.13 0.07 0.00 0.01 0.00 0.00 72.50 71.46 1pa9 s THR 145 CO -0.00 0.38 0.05 -0.31 -0.69 0.00 0.00 174.62 174.05 1pa9 s TYR 146 N 0.71 1.23 0.00 4.92 1.51 0.96 -5.00 117.35 121.68 1pa9 s TYR 146 Ca -0.13 -1.11 0.00 0.00 -1.01 0.00 0.00 57.07 54.81 1pa9 s TYR 146 Cb -0.16 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1pa9 s TYR 146 CO 0.03 -0.69 0.00 0.41 -1.11 0.00 0.00 175.55 174.19 1pa9 n GLY 147 N 4.99 3.37 1.29 0.71 0.00 -1.26 -1.19 105.19 113.10 1pa9 n GLY 147 Ca -0.07 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1pa9 n GLY 147 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pa9 n SER 148 N 8.01 3.80 -4.63 1.61 3.41 -1.26 -4.92 113.62 119.65 1pa9 n SER 148 Ca 0.00 -2.00 -0.34 0.00 -0.26 0.00 0.00 58.87 56.27 1pa9 n SER 148 Cb 0.00 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 1pa9 n SER 148 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1pa9 s ILE 149 N -1.16 4.60 -0.12 -1.33 1.01 -0.34 -4.30 121.20 119.55 1pa9 s ILE 149 Ca 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1pa9 s ILE 149 Cb 0.25 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1pa9 s ILE 149 CO 0.33 0.49 -0.13 0.42 0.00 0.00 0.00 174.94 176.05 1pa9 s THR 150 N 0.15 3.09 -0.11 2.92 -4.23 0.19 -0.03 115.64 117.62 1pa9 s THR 150 Ca 0.03 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.91 1pa9 s THR 150 Cb -0.13 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1pa9 s THR 150 CO 0.01 0.53 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.73 1pa9 s VAL 151 N 0.23 2.41 -0.21 2.29 1.01 0.12 -0.84 120.40 125.41 1pa9 s VAL 151 Ca -0.08 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1pa9 s VAL 151 Cb -0.15 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1pa9 s VAL 151 CO 0.05 0.55 -0.02 -0.70 0.00 0.00 0.00 175.10 174.98 1pa9 s GLU 152 N 0.32 3.49 -0.14 2.72 2.12 -0.44 -0.99 118.70 125.78 1pa9 s GLU 152 Ca -0.16 -0.58 -0.07 0.00 0.36 0.00 0.00 54.97 54.53 1pa9 s GLU 152 Cb -0.17 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 1pa9 s GLU 152 CO 0.08 -0.12 0.11 0.45 -0.54 0.00 0.00 175.26 175.24 1pa9 s SER 153 N 1.31 6.12 -0.03 -1.70 0.15 -1.26 -1.21 113.70 117.08 1pa9 s SER 153 Ca 0.04 0.34 0.01 0.00 0.70 0.00 0.00 55.95 57.03 1pa9 s SER 153 Cb -0.14 -1.98 0.02 0.00 -1.71 0.00 0.00 66.02 62.20 1pa9 s SER 153 CO -0.00 0.34 -0.02 -0.54 1.20 0.00 0.00 173.24 174.21 1pa9 s LYS 154 N -0.59 0.49 0.21 5.44 1.02 -0.72 -4.69 119.74 120.91 1pa9 s LYS 154 Ca 0.12 -0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.78 1pa9 s LYS 154 Cb -0.12 -0.58 -0.08 0.00 -0.52 0.00 0.00 37.83 36.53 1pa9 s LYS 154 CO 0.02 -0.08 0.97 -1.64 -0.92 0.00 0.00 175.35 173.71 1pa9 s MET 155 N 0.78 4.79 0.00 1.68 -1.94 -1.26 -1.18 119.30 122.17 1pa9 s MET 155 Ca -0.09 1.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.42 1pa9 s MET 155 Cb -0.12 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.43 1pa9 s MET 155 CO -0.01 0.40 0.00 0.25 -0.01 0.00 0.00 175.02 175.65 1pa9 n THR 156 N 1.78 0.00 -2.10 2.05 -2.24 0.03 -4.92 114.28 108.88 1pa9 n THR 156 Ca -0.01 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1pa9 n THR 156 Cb 0.47 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.76 1pa9 n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pa9 s GLN 157 N 4.35 2.44 -0.09 -0.78 0.00 -1.26 -4.76 119.66 119.56 1pa9 s GLN 157 Ca 0.00 0.05 0.03 0.00 -0.00 0.00 0.00 55.36 55.44 1pa9 s GLN 157 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 33.01 30.91 1pa9 s GLN 157 CO 0.00 -1.17 -0.20 -0.65 0.00 0.00 0.00 175.29 173.27 1pa9 s GLN 158 N -5.30 2.63 -0.14 9.60 -0.21 -1.26 -0.44 119.66 124.54 1pa9 s GLN 158 Ca 0.59 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 55.25 1pa9 s GLN 158 Cb -0.11 -2.04 0.02 0.00 1.00 0.00 0.00 33.01 31.88 1pa9 s GLN 158 CO 0.47 0.12 -0.16 0.08 -2.12 0.00 0.00 175.29 173.68 1pa9 s VAL 159 N 0.48 1.63 0.10 1.09 1.01 0.64 -4.98 120.40 120.38 1pa9 s VAL 159 Ca -0.17 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1pa9 s VAL 159 Cb -0.17 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 1pa9 s VAL 159 CO 0.07 0.47 1.07 -0.83 0.00 0.00 0.00 175.10 175.87 1pa9 s GLY 160 N 1.23 2.79 0.00 4.51 0.00 -1.26 -0.51 107.32 114.07 1pa9 s GLY 160 Ca -0.00 0.72 0.20 0.00 0.00 0.00 0.00 44.72 45.64 1pa9 s GLY 160 CO -0.07 1.71 1.05 1.04 0.00 0.00 0.00 173.10 176.83 1pa9 n LEU 161 N 3.12 2.18 0.00 0.66 4.77 0.31 -4.94 117.00 123.10 1pa9 n LEU 161 Ca 0.05 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1pa9 n LEU 161 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1pa9 n LEU 161 CO 0.53 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1pa9 n GLY 162 N 1.25 2.68 2.42 -0.72 0.00 -1.24 -4.48 105.19 105.09 1pa9 n GLY 162 Ca 0.10 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 1pa9 n GLY 162 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pa9 n ASP 163 N 0.00 -4.41 0.00 1.61 8.00 -1.26 -1.16 116.55 119.33 1pa9 n ASP 163 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1pa9 n ASP 163 Cb 0.00 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 1pa9 n ASP 163 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pa9 n GLY 164 N -0.84 1.38 3.72 0.44 0.00 -1.26 -5.00 105.19 103.63 1pa9 n GLY 164 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1pa9 n GLY 164 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pa9 s ILE 165 N -3.51 4.14 -0.02 -0.61 1.09 -0.31 -4.96 121.20 117.03 1pa9 s ILE 165 Ca 0.00 1.60 0.07 0.00 -1.10 0.00 0.00 60.65 61.22 1pa9 s ILE 165 Cb 0.00 -4.02 -0.02 0.00 -1.06 0.00 0.00 42.46 37.35 1pa9 s ILE 165 CO 0.00 0.16 -0.23 -0.32 -0.10 0.00 0.00 174.94 174.45 1pa9 s MET 166 N 0.73 2.16 -0.25 2.79 1.75 -1.26 -0.53 119.30 124.68 1pa9 s MET 166 Ca 0.55 -0.90 -0.04 0.00 -1.25 0.00 0.00 55.69 54.05 1pa9 s MET 166 Cb -0.28 -2.11 0.01 0.00 2.84 0.00 0.00 34.83 35.29 1pa9 s MET 166 CO 0.30 0.57 -0.01 0.00 -0.65 0.00 0.00 175.02 175.22 1pa9 s ALA 167 N -0.67 2.84 -0.25 4.11 0.00 0.33 -2.87 121.76 125.25 1pa9 s ALA 167 Ca 0.11 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1pa9 s ALA 167 Cb -0.10 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 1pa9 s ALA 167 CO -0.00 -0.71 0.20 -0.51 0.00 0.00 0.00 175.76 174.74 1pa9 s ASP 168 N 1.43 6.12 0.01 0.00 1.01 0.50 -0.26 116.67 125.48 1pa9 s ASP 168 Ca 0.03 0.11 -0.08 0.00 0.71 0.00 0.00 52.55 53.32 1pa9 s ASP 168 Cb -0.16 -2.13 -0.05 0.00 1.01 0.00 0.00 42.92 41.59 1pa9 s ASP 168 CO -0.02 -0.00 0.30 -0.32 0.21 0.00 0.00 175.17 175.34 1pa9 s MET 169 N 1.38 3.65 0.26 8.23 1.75 0.42 -0.48 119.30 134.52 1pa9 s MET 169 Ca 0.09 0.04 0.01 0.00 -1.25 0.00 0.00 55.69 54.58 1pa9 s MET 169 Cb -0.15 -3.09 -0.03 0.00 2.84 0.00 0.00 34.83 34.40 1pa9 s MET 169 CO 0.07 0.65 0.25 0.71 -0.65 0.00 0.00 175.02 176.05 1pa9 s TYR 170 N -1.26 1.28 -0.03 4.11 1.51 -0.07 -0.79 117.35 122.10 1pa9 s TYR 170 Ca 0.27 -1.41 0.01 0.00 -1.01 0.00 0.00 57.07 54.93 1pa9 s TYR 170 Cb -0.14 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1pa9 s TYR 170 CO 0.15 -0.80 -0.02 0.99 -1.11 0.00 0.00 175.55 174.75 1pa9 s THR 171 N -3.78 0.35 -0.23 -0.71 2.01 -0.32 0.46 115.64 113.42 1pa9 s THR 171 Ca 0.37 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 1pa9 s THR 171 Cb 0.04 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.15 1pa9 s THR 171 CO 0.18 0.17 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.47 1pa9 s LEU 172 N 0.83 2.92 -0.34 4.42 1.43 0.06 -1.75 118.68 126.24 1pa9 s LEU 172 Ca -0.10 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 1pa9 s LEU 172 Cb -0.13 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1pa9 s LEU 172 CO -0.01 -0.05 0.22 -0.89 0.23 0.00 0.00 176.35 175.86 1pa9 s THR 173 N 1.43 5.13 -0.34 5.49 2.01 -0.35 0.34 115.64 129.35 1pa9 s THR 173 Ca 0.05 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1pa9 s THR 173 Cb -0.15 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1pa9 s THR 173 CO -0.04 -0.01 0.24 -0.63 -0.69 0.00 0.00 174.62 173.49 1pa9 s ILE 174 N 1.69 5.28 0.01 1.82 1.01 0.15 -1.32 121.20 129.84 1pa9 s ILE 174 Ca 0.06 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1pa9 s ILE 174 Cb -0.17 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1pa9 s ILE 174 CO 0.10 -0.03 -0.18 -0.13 0.00 0.00 0.00 174.94 174.70 1pa9 s ARG 175 N 1.72 2.21 -0.24 2.79 0.52 -0.02 -1.98 118.95 123.96 1pa9 s ARG 175 Ca 0.06 -0.89 -0.13 0.00 -0.52 0.00 0.00 55.73 54.25 1pa9 s ARG 175 Cb -0.17 -2.23 0.07 0.00 0.52 0.00 0.00 34.95 33.13 1pa9 s ARG 175 CO 0.10 0.57 0.58 -2.00 0.02 0.00 0.00 175.30 174.57 1pa9 s GLU 176 N -1.13 0.58 -0.02 3.54 2.12 -1.26 -0.64 118.70 121.89 1pa9 s GLU 176 Ca 0.13 1.05 -0.37 0.00 0.36 0.00 0.00 54.97 56.14 1pa9 s GLU 176 Cb -0.10 0.08 -0.15 0.00 0.26 0.00 0.00 34.13 34.21 1pa9 s GLU 176 CO 0.03 -0.15 1.55 0.00 -0.54 0.00 0.00 175.26 176.15 1pa9 n ALA 177 N 4.25 -0.17 -0.69 6.30 0.00 -1.26 -0.58 120.51 128.37 1pa9 n ALA 177 Ca -0.21 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1pa9 n ALA 177 Cb 0.57 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1pa9 n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pa9 n GLY 178 N 3.34 1.49 3.65 0.00 0.00 -1.26 -5.02 105.19 107.40 1pa9 n GLY 178 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1pa9 n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pa9 s GLN 179 N -0.05 2.36 0.09 1.61 -1.52 0.25 -5.09 119.66 117.31 1pa9 s GLN 179 Ca 0.00 -1.21 -0.30 0.00 -1.95 0.00 0.00 55.36 51.90 1pa9 s GLN 179 Cb 0.00 -2.29 -0.06 0.00 -0.22 0.00 0.00 33.01 30.44 1pa9 s GLN 179 CO 0.00 0.43 1.16 0.15 -0.25 0.00 0.00 175.29 176.77 1pa9 s LYS 180 N -3.17 4.48 0.10 2.91 3.01 -1.26 -4.59 119.74 121.22 1pa9 s LYS 180 Ca 0.28 1.74 -0.31 0.00 -1.01 0.00 0.00 55.97 56.67 1pa9 s LYS 180 Cb -0.08 -3.33 -0.08 0.00 -1.01 0.00 0.00 37.83 33.33 1pa9 s LYS 180 CO 0.19 -0.15 1.38 0.99 0.51 0.00 0.00 175.35 178.27 1pa9 s THR 181 N 0.66 3.38 -0.09 2.17 2.01 -1.26 -4.87 115.64 117.65 1pa9 s THR 181 Ca 0.56 0.97 0.03 0.00 0.31 0.00 0.00 61.69 63.56 1pa9 s THR 181 Cb -0.29 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1pa9 s THR 181 CO 0.31 0.07 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.48 1pa9 s ILE 182 N 1.26 1.74 -0.14 1.82 -1.09 -0.84 -4.97 121.20 118.99 1pa9 s ILE 182 Ca 0.64 -0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 1pa9 s ILE 182 Cb -0.36 -1.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.96 1pa9 s ILE 182 CO 0.30 0.49 -0.01 -0.94 -1.23 0.00 0.00 174.94 173.55 1pa9 s SER 183 N 0.47 5.05 -0.13 3.58 1.04 -1.26 0.35 113.70 122.80 1pa9 s SER 183 Ca -0.17 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.27 1pa9 s SER 183 Cb -0.17 -1.70 0.01 0.00 0.10 0.00 0.00 66.02 64.26 1pa9 s SER 183 CO 0.07 0.23 -0.22 -0.69 0.98 0.00 0.00 173.24 173.61 1pa9 s VAL 184 N -0.02 2.02 0.29 5.02 1.01 0.15 -4.91 120.40 123.97 1pa9 s VAL 184 Ca 0.02 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1pa9 s VAL 184 Cb -0.13 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 1pa9 s VAL 184 CO 0.02 0.54 1.09 -2.16 0.00 0.00 0.00 175.10 174.60 1pa9 s PRO 185 N 0.71 4.59 -0.07 2.72 0.04 -1.26 -0.76 135.00 140.97 1pa9 s PRO 185 Ca -0.10 1.77 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1pa9 s PRO 185 Cb -0.16 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1pa9 s PRO 185 CO 0.01 0.18 -0.21 0.08 0.04 0.00 0.00 177.00 177.10 1pa9 s VAL 186 N -1.22 2.43 -0.31 -0.36 1.01 0.17 -1.33 120.40 120.80 1pa9 s VAL 186 Ca 0.46 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1pa9 s VAL 186 Cb -0.31 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.23 1pa9 s VAL 186 CO 0.39 0.57 -0.02 -0.69 0.00 0.00 0.00 175.10 175.35 1pa9 s VAL 187 N -0.17 2.31 -0.35 2.92 1.01 -0.22 -0.89 120.40 125.01 1pa9 s VAL 187 Ca -0.02 -1.98 -0.08 0.00 0.00 0.00 0.00 61.98 59.89 1pa9 s VAL 187 Cb -0.14 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1pa9 s VAL 187 CO 0.04 -0.33 0.14 -2.28 0.00 0.00 0.00 175.10 172.66 1pa9 s HIS 188 N 1.01 3.24 -0.57 5.22 2.46 0.37 -1.32 115.29 125.71 1pa9 s HIS 188 Ca 0.01 -1.22 -0.25 0.00 0.47 0.00 0.00 55.06 54.07 1pa9 s HIS 188 Cb -0.20 -2.33 0.04 0.00 -0.13 0.00 0.00 32.58 29.97 1pa9 s HIS 188 CO -0.06 -0.69 1.00 0.08 -2.47 0.00 0.00 174.74 172.60 1pa9 s VAL 189 N 1.46 4.29 -1.12 0.89 1.01 -0.31 -0.37 120.40 126.25 1pa9 s VAL 189 Ca -0.00 0.35 0.27 0.00 0.00 0.00 0.00 61.98 62.60 1pa9 s VAL 189 Cb -0.19 -4.60 0.19 0.00 0.00 0.00 0.00 36.38 31.77 1pa9 s VAL 189 CO 0.04 -1.21 1.71 0.61 0.00 0.00 0.00 175.10 176.25 1pa9 n GLY 190 N 5.14 -1.29 2.59 4.51 0.00 -1.14 -4.27 105.19 110.72 1pa9 n GLY 190 Ca 0.03 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1pa9 n GLY 190 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pa9 n ASN 191 N -1.40 2.54 -4.22 1.61 6.94 -1.26 -1.42 115.26 118.05 1pa9 n ASN 191 Ca 0.08 -2.83 -0.42 0.00 -0.02 0.00 0.00 54.58 51.40 1pa9 n ASN 191 Cb 0.33 -0.48 -0.08 0.00 -2.36 0.00 0.00 39.78 37.19 1pa9 n ASN 191 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1pa9 s TRP 192 N -3.47 3.42 0.23 -2.53 -0.11 -1.26 -4.87 118.94 110.35 1pa9 s TRP 192 Ca 0.34 -1.85 -0.31 0.00 1.22 0.00 0.00 56.10 55.50 1pa9 s TRP 192 Cb 0.40 -3.54 -0.14 0.00 -1.50 0.00 0.00 33.47 28.69 1pa9 s TRP 192 CO -0.02 -0.99 1.30 -2.30 -4.62 0.00 0.00 176.95 170.32 1pa9 n PRO 193 N 4.86 1.75 -1.68 5.86 -0.02 -1.26 -4.40 135.00 140.11 1pa9 n PRO 193 Ca -0.07 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 1pa9 n PRO 193 Cb 0.41 -2.21 0.05 0.00 -0.02 0.00 0.00 33.50 31.72 1pa9 n PRO 193 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1pa9 n ASP 194 N 1.96 1.77 -1.04 2.55 2.03 -1.26 -2.80 116.55 119.76 1pa9 n ASP 194 Ca 0.12 0.91 -0.14 0.00 0.52 0.00 0.00 54.79 56.20 1pa9 n ASP 194 Cb 0.30 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.16 1pa9 n ASP 194 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pa9 n GLN 195 N -0.98 -0.94 -4.38 -0.67 1.13 -1.26 -4.99 117.38 105.29 1pa9 n GLN 195 Ca 0.12 0.98 -0.20 0.00 -1.94 0.00 0.00 57.00 55.95 1pa9 n GLN 195 Cb 0.45 -5.05 -0.09 0.00 0.11 0.00 0.00 30.24 25.66 1pa9 n GLN 195 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1pa9 s THR 196 N -2.50 0.40 -0.11 5.09 -4.23 -1.12 -5.00 115.64 108.17 1pa9 s THR 196 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1pa9 s THR 196 Cb 0.00 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1pa9 s THR 196 CO 0.00 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 173.96 1pa9 s ALA 197 N -3.49 1.54 0.76 3.99 0.00 -1.26 -4.74 121.76 118.57 1pa9 s ALA 197 Ca 0.33 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 1pa9 s ALA 197 Cb 0.04 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.36 1pa9 s ALA 197 CO 0.18 -0.20 1.08 0.14 0.00 0.00 0.00 175.76 176.96 1pa9 s VAL 198 N 1.23 3.44 0.95 0.00 -7.23 -1.26 -4.98 120.40 112.56 1pa9 s VAL 198 Ca -0.02 0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 60.50 1pa9 s VAL 198 Cb -0.14 -3.14 0.14 0.00 0.56 0.00 0.00 36.38 33.80 1pa9 s VAL 198 CO -0.04 -0.61 0.96 -1.54 -0.31 0.00 0.00 175.10 173.56 1pa9 n SER 199 N -3.38 -0.40 -0.24 4.85 3.41 -1.26 -4.70 113.62 111.90 1pa9 n SER 199 Ca 0.08 0.34 0.01 0.00 -0.26 0.00 0.00 58.87 59.03 1pa9 n SER 199 Cb 0.54 -1.39 0.24 0.00 -0.26 0.00 0.00 64.21 63.34 1pa9 n SER 199 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1pa9 h SER 200 N -1.92 0.89 -0.26 4.04 4.64 -1.94 0.40 113.55 119.41 1pa9 h SER 200 Ca -0.45 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 1pa9 h SER 200 Cb 1.28 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1pa9 h SER 200 CO 0.40 0.63 0.06 1.05 -0.87 0.00 0.00 176.83 178.11 1pa9 h GLU 201 N 1.04 0.41 -0.68 4.77 9.09 -1.98 -1.19 114.58 126.05 1pa9 h GLU 201 Ca 0.30 -0.10 -0.03 0.00 0.05 0.00 0.00 59.36 59.58 1pa9 h GLU 201 Cb -0.06 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 26.95 1pa9 h GLU 201 CO -0.07 0.50 0.30 0.28 0.05 0.00 0.00 179.01 180.07 1pa9 h VAL 202 N 0.24 1.23 -0.84 -1.06 2.07 -1.65 -1.97 116.25 114.28 1pa9 h VAL 202 Ca 0.08 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.96 1pa9 h VAL 202 Cb 0.27 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1pa9 h VAL 202 CO 0.00 0.28 0.55 0.74 0.02 0.00 0.00 177.57 179.16 1pa9 h THR 203 N 0.95 1.08 -0.26 2.57 2.02 -0.72 0.34 112.91 118.89 1pa9 h THR 203 Ca 0.23 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 1pa9 h THR 203 Cb 0.16 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1pa9 h THR 203 CO -0.02 0.18 -0.31 0.11 0.37 0.00 0.00 175.52 175.84 1pa9 h LYS 204 N 0.97 0.67 -0.90 6.66 1.79 -0.76 -0.30 116.57 124.72 1pa9 h LYS 204 Ca 0.35 -0.37 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1pa9 h LYS 204 Cb 0.15 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 1pa9 h LYS 204 CO -0.12 0.99 0.50 0.00 -1.08 0.00 0.00 179.45 179.73 1pa9 h ALA 205 N 0.68 1.15 -0.15 3.86 0.00 -0.72 -1.21 119.26 122.86 1pa9 h ALA 205 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1pa9 h ALA 205 Cb 0.89 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pa9 h ALA 205 CO 0.07 0.65 -0.03 1.25 0.00 0.00 0.00 179.25 181.20 1pa9 h LEU 206 N 1.25 0.28 -1.07 0.00 5.85 -0.84 -1.87 115.31 118.92 1pa9 h LEU 206 Ca 0.32 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1pa9 h LEU 206 Cb 0.02 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1pa9 h LEU 206 CO -0.05 0.57 0.63 0.00 -0.34 0.00 0.00 178.44 179.25 1pa9 h ALA 207 N 0.72 1.37 -0.09 1.25 0.00 -0.83 0.07 119.26 121.75 1pa9 h ALA 207 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1pa9 h ALA 207 Cb 0.44 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pa9 h ALA 207 CO 0.01 0.55 0.03 0.77 0.00 0.00 0.00 179.25 180.61 1pa9 h SER 208 N 1.23 0.14 -0.34 0.00 0.02 -1.13 -0.32 113.55 113.14 1pa9 h SER 208 Ca 0.37 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1pa9 h SER 208 Cb -0.03 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1pa9 h SER 208 CO -0.11 0.30 0.21 0.25 -1.14 0.00 0.00 176.83 176.34 1pa9 h LEU 209 N -0.04 0.41 -0.33 5.07 5.85 -0.90 0.10 115.31 125.47 1pa9 h LEU 209 Ca 0.03 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1pa9 h LEU 209 Cb 0.21 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1pa9 h LEU 209 CO -0.00 0.34 0.17 0.58 -0.34 0.00 0.00 178.44 179.19 1pa9 h VAL 210 N 0.44 1.15 -0.53 1.05 2.07 -0.94 0.33 116.25 119.81 1pa9 h VAL 210 Ca 0.12 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1pa9 h VAL 210 Cb 0.00 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1pa9 h VAL 210 CO -0.02 0.15 0.20 0.44 0.02 0.00 0.00 177.57 178.35 1pa9 h ASP 211 N 0.41 0.74 -0.58 0.57 3.32 -0.84 -1.70 116.42 118.34 1pa9 h ASP 211 Ca 0.12 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1pa9 h ASP 211 Cb 0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1pa9 h ASP 211 CO -0.02 0.73 0.07 1.56 -1.72 0.00 0.00 179.24 179.85 1pa9 h GLN 212 N 0.72 0.98 -0.39 3.56 4.20 -0.64 -0.36 115.11 123.19 1pa9 h GLN 212 Ca 0.17 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1pa9 h GLN 212 Cb 0.23 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1pa9 h GLN 212 CO -0.01 0.95 0.24 1.15 -0.67 0.00 0.00 178.83 180.49 1pa9 h THR 213 N 0.88 1.07 -0.58 -0.54 2.02 -0.77 -1.46 112.91 113.53 1pa9 h THR 213 Ca 0.17 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1pa9 h THR 213 Cb 0.46 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1pa9 h THR 213 CO 0.02 0.09 0.22 0.00 0.37 0.00 0.00 175.52 176.22 1pa9 h ALA 214 N 1.16 0.75 -0.62 6.16 0.00 -1.09 -2.69 119.26 122.92 1pa9 h ALA 214 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1pa9 h ALA 214 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1pa9 h ALA 214 CO -0.05 0.38 0.16 1.49 0.00 0.00 0.00 179.25 181.23 1pa9 h GLU 215 N 0.80 0.97 -0.53 0.00 4.57 -0.71 0.12 114.58 119.81 1pa9 h GLU 215 Ca 0.19 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 1pa9 h GLU 215 Cb 0.22 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1pa9 h GLU 215 CO -0.01 0.86 0.02 1.15 -1.18 0.00 0.00 179.01 179.85 1pa9 h THR 216 N 0.93 1.25 -0.03 0.32 2.02 -1.15 -0.35 112.91 115.90 1pa9 h THR 216 Ca 0.20 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1pa9 h THR 216 Cb 0.33 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1pa9 h THR 216 CO -0.00 0.37 -0.05 0.50 0.37 0.00 0.00 175.52 176.71 1pa9 h LYS 217 N 0.83 0.08 -0.84 6.66 1.63 -1.12 -2.56 116.57 121.26 1pa9 h LYS 217 Ca 0.16 -0.05 0.11 0.00 -0.85 0.00 0.00 60.65 60.02 1pa9 h LYS 217 Cb 0.46 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.02 1pa9 h LYS 217 CO 0.02 0.60 0.47 0.00 -3.45 0.00 0.00 179.45 177.09 1pa9 h ARG 218 N -0.43 0.73 -0.91 1.90 3.08 -0.67 -0.85 114.38 117.23 1pa9 h ARG 218 Ca 0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1pa9 h ARG 218 Cb 0.60 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1pa9 h ARG 218 CO 0.01 0.48 0.59 -0.97 -1.07 0.00 0.00 179.97 179.01 1pa9 h ASN 219 N 0.75 0.98 0.11 7.04 -1.24 -1.00 0.99 115.58 123.21 1pa9 h ASN 219 Ca 0.42 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.42 1pa9 h ASN 219 Cb 0.45 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1pa9 h ASN 219 CO -0.28 0.67 -0.05 -0.03 -1.29 0.00 0.00 177.43 176.44 1pa9 h MET 220 N 1.14 -0.14 -0.64 6.67 4.05 -0.75 0.13 114.93 125.38 1pa9 h MET 220 Ca 0.37 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.84 1pa9 h MET 220 Cb 0.02 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 1pa9 h MET 220 CO -0.12 -0.06 0.37 1.88 0.23 0.00 0.00 176.91 179.21 1pa9 h TYR 221 N -0.19 0.69 -0.38 1.39 0.05 -0.88 -2.24 116.97 115.42 1pa9 h TYR 221 Ca -0.02 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1pa9 h TYR 221 Cb 0.15 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1pa9 h TYR 221 CO -0.06 0.36 -0.03 1.49 -1.05 0.00 0.00 178.16 178.87 1pa9 h GLU 222 N 0.71 0.61 0.00 4.88 4.81 -0.52 -2.23 114.58 122.84 1pa9 h GLU 222 Ca 0.27 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1pa9 h GLU 222 Cb 0.10 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1pa9 h GLU 222 CO -0.14 0.66 0.00 0.66 -0.73 0.00 0.00 179.01 179.45 1pa9 h SER 223 N 0.58 0.00 -0.14 1.04 4.64 -0.14 -1.80 113.55 117.72 1pa9 h SER 223 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1pa9 h SER 223 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1pa9 h SER 223 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1pa9 n LYS 224 N -2.52 1.87 -0.84 4.77 5.02 -0.87 -5.00 118.16 120.58 1pa9 n LYS 224 Ca 0.01 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.50 1pa9 n LYS 224 Cb 0.21 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1pa9 n LYS 224 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pa9 n GLY 225 N 1.10 -0.02 0.00 0.72 0.00 -0.68 -5.10 105.19 101.22 1pa9 n GLY 225 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1pa9 n GLY 225 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pa9 n SER 226 N -0.34 0.00 0.00 1.61 7.64 -1.08 -4.95 113.62 116.50 1pa9 n SER 226 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pa9 n SER 226 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1pa9 n SER 226 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pa9 n ASP 231 N 0.00 0.00 0.24 6.43 -0.08 -1.26 -5.01 116.55 116.87 1pa9 n ASP 231 Ca 0.00 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.35 1pa9 n ASP 231 Cb 0.00 0.00 0.58 0.00 2.34 0.00 0.00 41.12 44.04 1pa9 n ASP 231 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1pa9 h ASP 232 N 0.00 0.00 0.24 1.67 -0.00 -2.04 -1.01 116.42 115.28 1pa9 h ASP 232 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1pa9 h ASP 232 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1pa9 h ASP 232 CO 0.00 0.08 0.00 -1.54 -0.00 0.00 0.00 179.24 177.78 1pa9 n SER 233 N -4.43 0.00 -4.57 2.28 3.41 -1.26 -4.86 113.62 104.18 1pa9 n SER 233 Ca -0.03 -0.63 -0.26 0.00 -0.26 0.00 0.00 58.87 57.68 1pa9 n SER 233 Cb 0.16 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.88 1pa9 n SER 233 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1pa9 s LYS 234 N -2.24 1.87 -1.53 4.33 1.02 -0.38 -4.69 119.74 118.11 1pa9 s LYS 234 Ca 0.39 -2.02 0.00 0.00 0.02 0.00 0.00 55.97 54.37 1pa9 s LYS 234 Cb 0.21 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.93 1pa9 s LYS 234 CO 0.40 0.01 0.00 1.28 -0.92 0.00 0.00 175.35 176.13 1pa9 n LEU 235 N -0.87 -1.63 -4.78 3.17 4.77 0.12 -4.84 117.00 112.94 1pa9 n LEU 235 Ca -0.05 0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.64 1pa9 n LEU 235 Cb 0.66 -2.45 -0.06 0.00 -2.33 0.00 0.00 43.42 39.23 1pa9 n LEU 235 CO 0.46 -0.36 0.26 -0.13 -1.33 0.00 0.00 177.39 176.29 1pa9 s ARG 236 N -4.48 4.25 0.39 3.23 0.52 -1.26 -4.61 118.95 116.99 1pa9 s ARG 236 Ca 0.00 0.67 -0.27 0.00 -0.52 0.00 0.00 55.73 55.61 1pa9 s ARG 236 Cb 0.00 -3.32 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 1pa9 s ARG 236 CO 0.00 0.43 1.30 -2.14 0.02 0.00 0.00 175.30 174.91 1pa9 s PRO 237 N -0.38 4.05 -0.19 3.54 0.02 -1.26 -4.34 135.00 136.45 1pa9 s PRO 237 Ca 0.29 2.16 -0.04 0.00 0.02 0.00 0.00 61.00 63.44 1pa9 s PRO 237 Cb -0.18 -2.82 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 1pa9 s PRO 237 CO 0.16 -0.42 -0.03 0.08 -0.33 0.00 0.00 177.00 176.46 1pa9 s VAL 238 N -1.24 3.69 -0.08 3.83 1.01 -0.26 -1.25 120.40 126.09 1pa9 s VAL 238 Ca 0.55 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1pa9 s VAL 238 Cb -0.38 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1pa9 s VAL 238 CO 0.50 0.44 -0.15 -0.63 0.00 0.00 0.00 175.10 175.26 1pa9 s ILE 239 N 0.99 1.37 0.02 2.22 1.09 0.06 -0.22 121.20 126.73 1pa9 s ILE 239 Ca 0.01 -0.60 -0.12 0.00 -1.10 0.00 0.00 60.65 58.83 1pa9 s ILE 239 Cb -0.15 -1.23 0.02 0.00 -1.06 0.00 0.00 42.46 40.04 1pa9 s ILE 239 CO 0.01 0.41 0.26 -1.38 -0.10 0.00 0.00 174.94 174.14 1pa9 s HIS 240 N 0.67 -0.08 0.00 3.97 -3.43 -0.43 -2.36 115.29 113.62 1pa9 s HIS 240 Ca -0.14 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 1pa9 s HIS 240 Cb -0.16 0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.04 1pa9 s HIS 240 CO 0.04 -0.42 0.00 0.00 -2.00 0.00 0.00 174.74 172.36 1pa9 n ARG 242 N 0.00 0.47 0.03 0.00 0.63 -1.26 -3.81 116.66 112.72 1pa9 n ARG 242 Ca 0.00 0.19 0.11 0.00 -0.92 0.00 0.00 57.85 57.23 1pa9 n ARG 242 Cb 0.00 -1.32 -0.02 0.00 0.45 0.00 0.00 32.46 31.56 1pa9 n ARG 242 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pa9 n ALA 243 N -4.33 3.33 -2.28 5.13 0.00 -1.26 -1.69 120.51 119.41 1pa9 n ALA 243 Ca -0.12 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 52.81 1pa9 n ALA 243 Cb 0.46 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1pa9 n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pa9 n GLY 244 N 1.34 0.09 0.00 0.00 0.00 -1.25 -4.33 105.19 101.04 1pa9 n GLY 244 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1pa9 n GLY 244 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pa9 n VAL 245 N -3.92 0.00 0.00 1.61 0.24 -1.26 -4.66 118.33 110.34 1pa9 n VAL 245 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1pa9 n VAL 245 Cb 0.56 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1pa9 n VAL 245 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pa9 n GLY 246 N 0.59 0.12 0.29 7.63 0.00 -1.26 -0.01 105.19 112.55 1pa9 n GLY 246 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1pa9 n GLY 246 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pa9 h ARG 247 N 0.00 1.00 -0.62 1.61 3.08 -1.95 -2.51 114.38 114.99 1pa9 h ARG 247 Ca 0.00 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.00 1pa9 h ARG 247 Cb 0.00 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 29.79 1pa9 h ARG 247 CO 0.00 0.74 0.31 1.15 -1.07 0.00 0.00 179.97 181.10 1pa9 h THR 248 N 0.99 0.92 -0.32 2.04 2.02 -1.88 -2.22 112.91 114.46 1pa9 h THR 248 Ca 0.26 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1pa9 h THR 248 Cb 0.02 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1pa9 h THR 248 CO -0.04 0.11 -0.18 0.00 0.37 0.00 0.00 175.52 175.77 1pa9 h ALA 249 N 1.35 1.09 -0.42 6.16 0.00 -1.63 -1.07 119.26 124.73 1pa9 h ALA 249 Ca 0.28 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1pa9 h ALA 249 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1pa9 h ALA 249 CO -0.20 0.56 0.16 0.37 0.00 0.00 0.00 179.25 180.14 1pa9 h GLN 250 N 0.53 0.64 -0.14 0.00 4.15 -1.04 -1.34 115.11 117.91 1pa9 h GLN 250 Ca 0.09 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1pa9 h GLN 250 Cb 0.61 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1pa9 h GLN 250 CO 0.04 0.59 -0.00 1.25 -1.93 0.00 0.00 178.83 178.78 1pa9 h LEU 251 N 0.54 0.24 -0.96 -2.39 5.85 -1.14 -2.20 115.31 115.26 1pa9 h LEU 251 Ca 0.14 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1pa9 h LEU 251 Cb 0.20 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1pa9 h LEU 251 CO -0.01 0.50 0.62 0.40 -0.34 0.00 0.00 178.44 179.61 1pa9 h ILE 252 N -0.02 1.10 -0.62 4.05 2.04 -1.14 0.18 117.51 123.12 1pa9 h ILE 252 Ca 0.04 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1pa9 h ILE 252 Cb 0.37 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1pa9 h ILE 252 CO 0.01 0.21 0.14 1.23 0.00 0.00 0.00 178.15 179.73 1pa9 h GLY 253 N 1.15 1.05 1.21 5.37 0.00 -1.15 -0.33 103.07 110.37 1pa9 h GLY 253 Ca 0.41 -0.64 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 1pa9 h GLY 253 CO -0.16 0.60 -0.42 0.00 0.00 0.00 0.00 176.54 176.56 1pa9 h ALA 254 N 1.21 0.60 -0.62 3.60 0.00 -0.61 -2.53 119.26 120.92 1pa9 h ALA 254 Ca 0.20 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1pa9 h ALA 254 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pa9 h ALA 254 CO 0.00 0.68 0.16 0.52 0.00 0.00 0.00 179.25 180.60 1pa9 h MET 255 N 0.70 0.96 -0.91 0.00 2.07 -0.37 -2.48 114.93 114.89 1pa9 h MET 255 Ca 0.05 -0.21 -0.01 0.00 -2.07 0.00 0.00 59.70 57.47 1pa9 h MET 255 Cb 1.00 -0.14 -0.04 0.00 -1.87 0.00 0.00 31.60 30.55 1pa9 h MET 255 CO 0.10 0.85 0.54 0.00 1.07 0.00 0.00 176.91 179.46 1pa9 n MET 257 N -4.35 0.09 0.00 0.00 2.81 -0.96 -2.45 117.12 112.26 1pa9 n MET 257 Ca 0.10 0.18 0.13 0.00 -1.81 0.00 0.00 57.70 56.31 1pa9 n MET 257 Cb 0.07 -1.63 0.35 0.00 -0.71 0.00 0.00 33.22 31.30 1pa9 n MET 257 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1pa9 n ASN 258 N -1.80 2.06 -4.53 7.83 5.03 -0.81 -4.78 115.26 118.26 1pa9 n ASN 258 Ca 0.05 -1.68 -0.42 0.00 0.87 0.00 0.00 54.58 53.41 1pa9 n ASN 258 Cb 0.30 0.01 -0.08 0.00 -1.02 0.00 0.00 39.78 38.98 1pa9 n ASN 258 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1pa9 s ASP 259 N -2.02 6.26 0.62 6.41 -1.08 -1.02 -4.94 116.67 120.89 1pa9 s ASP 259 Ca 0.34 -0.25 0.42 0.00 -0.52 0.00 0.00 52.55 52.53 1pa9 s ASP 259 Cb 0.21 -2.25 2.25 0.00 -1.46 0.00 0.00 42.92 41.67 1pa9 s ASP 259 CO 0.33 -0.50 2.27 0.77 0.52 0.00 0.00 175.17 178.57 1pa9 h SER 260 N 8.56 0.00 0.70 -0.34 4.64 -1.86 -2.16 113.55 123.09 1pa9 h SER 260 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1pa9 h SER 260 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1pa9 h SER 260 CO 0.77 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.27 1pa9 n ARG 261 N -2.97 0.05 -1.14 4.77 1.74 -1.26 -3.58 116.66 114.27 1pa9 n ARG 261 Ca -0.03 0.23 -0.16 0.00 -0.77 0.00 0.00 57.85 57.12 1pa9 n ARG 261 Cb 0.07 -1.59 0.23 0.00 -1.02 0.00 0.00 32.46 30.16 1pa9 n ARG 261 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pa9 n ASN 262 N -1.69 4.21 -4.68 0.55 3.02 -0.81 -4.79 115.26 111.07 1pa9 n ASN 262 Ca 0.04 -3.43 -0.44 0.00 -0.03 0.00 0.00 54.58 50.72 1pa9 n ASN 262 Cb 0.23 -0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 38.58 1pa9 n ASN 262 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pa9 n SER 263 N -0.71 2.73 0.00 6.41 3.41 -1.23 -1.50 113.62 122.72 1pa9 n SER 263 Ca 0.52 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 60.29 1pa9 n SER 263 Cb 1.55 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1pa9 n SER 263 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pa9 n GLN 264 N 1.49 0.00 -2.09 4.33 1.13 -1.26 -4.99 117.38 115.99 1pa9 n GLN 264 Ca 0.09 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 1pa9 n GLN 264 Cb 0.33 -2.57 -0.03 0.00 0.11 0.00 0.00 30.24 28.09 1pa9 n GLN 264 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1pa9 s LEU 265 N 0.00 4.33 0.62 1.08 2.96 -0.56 -4.83 118.68 122.27 1pa9 s LEU 265 Ca 0.00 2.25 -0.08 0.00 -0.22 0.00 0.00 54.13 56.07 1pa9 s LEU 265 Cb 0.00 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.13 1pa9 s LEU 265 CO 0.00 -0.82 0.98 -0.94 -1.32 0.00 0.00 176.35 174.25 1pa9 s SER 266 N 2.36 5.70 0.31 3.68 1.04 -1.26 -4.67 113.70 120.86 1pa9 s SER 266 Ca 0.69 0.98 0.02 0.00 0.48 0.00 0.00 55.95 58.12 1pa9 s SER 266 Cb -0.34 -1.95 0.52 0.00 0.10 0.00 0.00 66.02 64.35 1pa9 s SER 266 CO 0.29 -1.08 1.85 0.58 0.98 0.00 0.00 173.24 175.85 1pa9 h VAL 267 N -0.32 1.21 -0.25 5.02 2.07 -1.33 -1.13 116.25 121.52 1pa9 h VAL 267 Ca -0.45 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1pa9 h VAL 267 Cb 1.24 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1pa9 h VAL 267 CO 0.62 0.29 0.16 -0.08 0.02 0.00 0.00 177.57 178.59 1pa9 h GLU 268 N 0.59 0.33 0.05 1.57 4.81 -1.42 -2.22 114.58 118.29 1pa9 h GLU 268 Ca 0.12 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1pa9 h GLU 268 Cb 0.35 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1pa9 h GLU 268 CO 0.01 0.22 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.03 1pa9 h ASP 269 N 0.34 -0.10 -0.03 1.04 3.32 -1.67 -0.77 116.42 118.54 1pa9 h ASP 269 Ca 0.09 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.19 1pa9 h ASP 269 Cb -0.03 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1pa9 h ASP 269 CO -0.02 -0.06 -0.37 0.24 -1.72 0.00 0.00 179.24 177.31 1pa9 h MET 270 N -0.10 -0.48 -0.52 3.56 2.86 -1.06 0.81 114.93 120.00 1pa9 h MET 270 Ca -0.00 0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 1pa9 h MET 270 Cb 0.09 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1pa9 h MET 270 CO -0.00 -0.32 -0.15 0.28 1.06 0.00 0.00 176.91 177.78 1pa9 h VAL 271 N -0.50 1.27 -0.84 -2.22 2.07 -1.41 -1.84 116.25 112.78 1pa9 h VAL 271 Ca 0.06 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1pa9 h VAL 271 Cb 0.60 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1pa9 h VAL 271 CO -0.31 0.46 0.39 0.28 0.02 0.00 0.00 177.57 178.41 1pa9 h SER 272 N 0.89 1.11 -0.48 0.57 0.02 -0.89 -1.30 113.55 113.47 1pa9 h SER 272 Ca 0.13 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1pa9 h SER 272 Cb 0.72 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1pa9 h SER 272 CO 0.06 0.94 -0.12 1.56 -1.14 0.00 0.00 176.83 178.12 1pa9 h GLN 273 N 1.20 0.93 -0.52 3.45 4.20 -0.67 -0.94 115.11 122.76 1pa9 h GLN 273 Ca 0.29 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1pa9 h GLN 273 Cb 0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1pa9 h GLN 273 CO -0.03 1.02 0.07 0.52 -0.67 0.00 0.00 178.83 179.74 1pa9 h MET 274 N 0.78 0.83 -0.20 1.46 2.86 -1.07 -1.77 114.93 117.81 1pa9 h MET 274 Ca 0.12 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1pa9 h MET 274 Cb 0.68 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1pa9 h MET 274 CO 0.05 0.78 -0.30 0.00 1.06 0.00 0.00 176.91 178.50 1pa9 h ARG 275 N 0.78 0.57 0.00 1.72 3.08 -1.02 -1.88 114.38 117.63 1pa9 h ARG 275 Ca 0.16 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1pa9 h ARG 275 Cb 0.37 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1pa9 h ARG 275 CO 0.01 0.94 -0.09 0.28 -1.07 0.00 0.00 179.97 180.03 1pa9 h VAL 276 N 0.24 0.24 -0.01 2.04 2.07 -1.11 -2.33 116.25 117.40 1pa9 h VAL 276 Ca 0.02 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1pa9 h VAL 276 Cb 0.88 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1pa9 h VAL 276 CO 0.07 0.09 -0.39 0.00 0.02 0.00 0.00 177.57 177.37 1pa9 n GLN 277 N -3.23 1.05 0.00 1.57 6.02 -0.67 -4.82 117.38 117.30 1pa9 n GLN 277 Ca 0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1pa9 n GLN 277 Cb 0.36 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1pa9 n GLN 277 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1pa9 n ARG 278 N -0.29 0.00 -3.57 -1.09 0.63 -0.72 -4.63 116.66 106.99 1pa9 n ARG 278 Ca 0.11 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.97 1pa9 n ARG 278 Cb 0.42 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.31 1pa9 n ARG 278 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1pa9 s ASN 279 N -2.34 -0.29 0.00 6.15 2.20 -0.89 -1.65 114.94 118.12 1pa9 s ASN 279 Ca 0.00 -0.08 0.08 0.00 -0.94 0.00 0.00 52.86 51.92 1pa9 s ASN 279 Cb 0.00 0.37 0.45 0.00 -2.00 0.00 0.00 41.25 40.06 1pa9 s ASN 279 CO 0.00 -0.61 0.99 0.61 -2.94 0.00 0.00 177.10 175.15 1pa9 n GLY 280 N -0.28 -0.35 0.08 0.45 0.00 -1.25 -2.56 105.19 101.27 1pa9 n GLY 280 Ca -0.07 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1pa9 n GLY 280 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pa9 n ILE 281 N -1.10 0.00 -1.69 -0.61 -0.00 -1.26 -4.47 119.36 110.23 1pa9 n ILE 281 Ca 0.05 -0.04 -0.52 0.00 -0.00 0.00 0.00 62.75 62.24 1pa9 n ILE 281 Cb 0.04 0.49 -0.06 0.00 -0.00 0.00 0.00 39.64 40.11 1pa9 n ILE 281 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 176.55 176.78 1pa9 n MET 282 N -1.25 1.77 -1.58 0.38 2.81 -1.06 -1.74 117.12 116.45 1pa9 n MET 282 Ca 0.07 0.65 -0.00 0.00 -1.81 0.00 0.00 57.70 56.60 1pa9 n MET 282 Cb 0.34 -2.44 0.00 0.00 -0.71 0.00 0.00 33.22 30.42 1pa9 n MET 282 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1pa9 n VAL 283 N 4.99 -1.82 -0.01 2.03 0.31 0.99 -4.83 118.33 119.99 1pa9 n VAL 283 Ca 0.24 0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.45 1pa9 n VAL 283 Cb 0.23 -3.85 -0.09 0.00 -0.91 0.00 0.00 33.84 29.23 1pa9 n VAL 283 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1pa9 h GLN 284 N 0.05 0.05 -6.10 5.55 4.15 -1.32 -3.46 115.11 114.03 1pa9 h GLN 284 Ca 0.00 -0.02 -0.59 0.00 0.77 0.00 0.00 58.65 58.81 1pa9 h GLN 284 Cb 0.71 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.36 1pa9 h GLN 284 CO 0.02 0.42 -0.36 0.15 -1.93 0.00 0.00 178.83 177.12 1pa9 s LYS 285 N -4.68 3.58 0.38 1.69 -0.14 -1.26 -4.99 119.74 114.32 1pa9 s LYS 285 Ca -0.15 -0.17 0.06 0.00 -1.36 0.00 0.00 55.97 54.35 1pa9 s LYS 285 Cb 0.03 -2.90 0.77 0.00 -1.68 0.00 0.00 37.83 34.05 1pa9 s LYS 285 CO 0.68 0.51 1.99 -0.44 -0.76 0.00 0.00 175.35 177.33 1pa9 h ASP 286 N 2.92 0.47 0.27 2.83 3.32 -1.99 -1.36 116.42 122.88 1pa9 h ASP 286 Ca -0.46 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1pa9 h ASP 286 Cb 1.16 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1pa9 h ASP 286 CO 0.73 0.42 -0.27 -0.33 -1.72 0.00 0.00 179.24 178.07 1pa9 h GLU 287 N 0.53 0.00 -0.01 3.56 3.07 -1.98 0.45 114.58 120.20 1pa9 h GLU 287 Ca 0.13 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.76 1pa9 h GLU 287 Cb 0.09 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1pa9 h GLU 287 CO -0.02 0.27 -0.95 1.96 -1.40 0.00 0.00 179.01 178.87 1pa9 h GLN 288 N 0.00 0.48 -0.47 2.33 4.20 -1.61 -2.74 115.11 117.30 1pa9 h GLN 288 Ca -0.00 -0.51 -0.11 0.00 0.06 0.00 0.00 58.65 58.08 1pa9 h GLN 288 Cb 0.48 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1pa9 h GLN 288 CO 0.04 1.15 -0.15 1.25 -0.67 0.00 0.00 178.83 180.44 1pa9 h LEU 289 N 0.28 0.92 -1.88 1.46 5.85 -0.98 -2.71 115.31 118.24 1pa9 h LEU 289 Ca -0.09 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1pa9 h LEU 289 Cb 1.59 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1pa9 h LEU 289 CO 0.17 1.06 0.07 0.44 -0.34 0.00 0.00 178.44 179.84 1pa9 h ASP 290 N 0.80 0.13 -0.19 1.25 3.32 -0.82 0.15 116.42 121.06 1pa9 h ASP 290 Ca 0.12 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1pa9 h ASP 290 Cb 0.69 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1pa9 h ASP 290 CO 0.05 0.10 -0.27 0.58 -1.72 0.00 0.00 179.24 177.98 1pa9 h VAL 291 N 0.16 1.34 -0.78 -1.35 2.07 -1.18 -0.95 116.25 115.55 1pa9 h VAL 291 Ca 0.04 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1pa9 h VAL 291 Cb -0.01 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1pa9 h VAL 291 CO -0.01 0.45 0.37 -0.07 0.02 0.00 0.00 177.57 178.33 1pa9 h LEU 292 N 0.19 1.02 -0.11 2.57 3.38 -1.16 -0.46 115.31 120.74 1pa9 h LEU 292 Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1pa9 h LEU 292 Cb 0.84 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pa9 h LEU 292 CO 0.06 0.87 0.04 0.40 0.09 0.00 0.00 178.44 179.90 1pa9 h ILE 293 N 1.12 1.16 -0.73 1.22 2.04 -0.91 0.13 117.51 121.54 1pa9 h ILE 293 Ca 0.27 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1pa9 h ILE 293 Cb 0.12 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1pa9 h ILE 293 CO -0.03 0.14 0.46 0.50 0.00 0.00 0.00 178.15 179.22 1pa9 h LYS 294 N -0.00 0.86 -0.57 2.37 3.64 -0.86 0.11 116.57 122.12 1pa9 h LYS 294 Ca 0.03 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1pa9 h LYS 294 Cb 0.19 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1pa9 h LYS 294 CO -0.00 0.57 0.25 -0.07 -2.27 0.00 0.00 179.45 177.93 1pa9 h LEU 295 N 0.89 0.77 -0.19 5.20 3.38 -0.88 -1.35 115.31 123.12 1pa9 h LEU 295 Ca 0.29 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1pa9 h LEU 295 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1pa9 h LEU 295 CO -0.11 0.71 0.11 0.00 0.09 0.00 0.00 178.44 179.24 1pa9 h ALA 296 N 1.09 0.23 -0.95 1.53 0.00 -0.25 -2.20 119.26 118.70 1pa9 h ALA 296 Ca 0.19 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1pa9 h ALA 296 Cb 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1pa9 h ALA 296 CO -0.02 -0.31 0.62 1.49 0.00 0.00 0.00 179.25 181.03 1pa9 h GLU 297 N 0.23 1.04 0.00 0.00 4.81 -0.47 0.10 114.58 120.28 1pa9 h GLU 297 Ca 0.07 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1pa9 h GLU 297 Cb -0.01 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1pa9 h GLU 297 CO -0.03 0.69 -0.07 0.78 -0.73 0.00 0.00 179.01 179.65 1pa9 h GLY 298 N 1.07 0.00 -0.64 1.92 0.00 -0.64 -2.27 103.07 102.50 1pa9 h GLY 298 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1pa9 h GLY 298 CO -0.17 0.00 -0.60 -1.06 0.00 0.00 0.00 176.54 174.71 1pa9 n GLN 299 N -3.72 1.05 -1.54 4.80 6.02 -0.15 -4.95 117.38 118.89 1pa9 n GLN 299 Ca -0.02 -0.66 -0.05 0.00 -0.01 0.00 0.00 57.00 56.27 1pa9 n GLN 299 Cb 0.17 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 1pa9 n GLN 299 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pa9 n GLY 300 N 1.39 0.50 3.73 1.08 0.00 -0.33 -5.00 105.19 106.57 1pa9 n GLY 300 Ca 0.07 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1pa9 n GLY 300 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pa9 s ARG 301 N -3.17 4.52 0.53 1.61 3.52 -0.21 -5.01 118.95 120.75 1pa9 s ARG 301 Ca 0.00 1.14 -0.21 0.00 -0.13 0.00 0.00 55.73 56.53 1pa9 s ARG 301 Cb 0.00 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 1pa9 s ARG 301 CO 0.00 0.18 1.26 -1.25 -0.81 0.00 0.00 175.30 174.69 1pa9 s PRO 302 N 0.28 3.26 -0.14 5.12 0.04 -1.26 -4.39 135.00 137.91 1pa9 s PRO 302 Ca 0.42 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 1pa9 s PRO 302 Cb -0.20 -2.21 -0.24 0.00 0.04 0.00 0.00 34.50 31.88 1pa9 s PRO 302 CO 0.24 -1.02 0.33 -0.07 0.04 0.00 0.00 177.00 176.52 1pa9 h LEU 303 N 1.47 0.30 -9.46 -3.56 3.38 -1.94 -2.02 115.31 103.47 1pa9 h LEU 303 Ca -0.50 -0.82 -0.61 0.00 0.09 0.00 0.00 57.88 56.04 1pa9 h LEU 303 Cb 1.29 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 1pa9 h LEU 303 CO 0.57 1.74 -0.67 -0.76 0.09 0.00 0.00 178.44 179.42 1pa9 s LEU 304 N -7.32 3.24 0.45 1.67 1.43 -1.26 -1.17 118.68 115.71 1pa9 s LEU 304 Ca -0.24 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.29 1pa9 s LEU 304 Cb 0.06 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 44.31 1pa9 s LEU 304 CO 0.72 0.09 0.87 0.20 0.23 0.00 0.00 176.35 178.46 1pa9 s ASN 305 N -2.92 6.60 0.00 2.29 0.02 -1.26 -4.96 114.94 114.72 1pa9 s ASN 305 Ca 0.27 1.35 0.00 0.00 -1.02 0.00 0.00 52.86 53.46 1pa9 s ASN 305 Cb -0.09 -2.41 0.00 0.00 0.02 0.00 0.00 41.25 38.76 1pa9 s ASN 305 CO 0.18 -0.46 0.00 -1.20 0.02 0.00 0.00 177.10 175.64