#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aua n GLN 5 N 0.00 0.00 0.00 -1.09 6.02 -1.26 -4.59 117.38 116.47 1aua n GLN 5 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1aua n GLN 5 Cb 0.00 -0.23 -0.11 0.00 1.02 0.00 0.00 30.24 30.93 1aua n GLN 5 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1aua h GLU 6 N 0.00 0.45 -0.55 -1.09 4.81 -2.04 -2.06 114.58 114.09 1aua h GLU 6 Ca 0.00 -0.46 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1aua h GLU 6 Cb 0.20 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1aua h GLU 6 CO 0.00 1.11 0.36 -0.22 -0.73 0.00 0.00 179.01 179.53 1aua h LYS 7 N -0.04 0.71 -0.95 1.92 1.63 -2.00 -0.18 116.57 117.66 1aua h LYS 7 Ca -0.07 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1aua h LYS 7 Cb 1.32 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 32.74 1aua h LYS 7 CO 0.12 0.47 0.62 1.49 -3.45 0.00 0.00 179.45 178.70 1aua h GLU 8 N 0.73 1.26 -0.01 1.90 4.81 -1.80 -2.81 114.58 118.65 1aua h GLU 8 Ca 0.21 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1aua h GLU 8 Cb -0.06 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.04 1aua h GLU 8 CO -0.06 0.85 -0.00 0.35 -0.73 0.00 0.00 179.01 179.42 1aua h PHE 9 N 1.30 0.02 -0.66 0.92 3.57 -0.62 -3.18 116.94 118.29 1aua h PHE 9 Ca 0.35 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.93 1aua h PHE 9 Cb -0.13 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1aua h PHE 9 CO 0.00 0.36 0.44 -0.07 -2.23 0.00 0.00 178.31 176.81 1aua h LEU 10 N -0.32 0.51 -1.91 0.59 4.07 -0.89 -1.45 115.31 115.90 1aua h LEU 10 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1aua h LEU 10 Cb 0.36 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1aua h LEU 10 CO 0.00 0.31 0.00 -1.84 -1.08 0.00 0.00 178.44 175.84 1aua n GLU 11 N -4.48 2.28 0.00 1.13 0.28 -1.08 -3.95 120.64 114.82 1aua n GLU 11 Ca 0.10 -1.83 0.13 0.00 -0.16 0.00 0.00 57.16 55.41 1aua n GLU 11 Cb 0.31 -1.44 0.35 0.00 1.43 0.00 0.00 31.44 32.08 1aua n GLU 11 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1aua n SER 12 N 0.92 1.49 -3.74 -1.84 3.41 -0.55 -4.91 113.62 108.41 1aua n SER 12 Ca 0.17 -1.27 -0.14 0.00 -0.26 0.00 0.00 58.87 57.38 1aua n SER 12 Cb 0.46 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 1aua n SER 12 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1aua s TYR 13 N -2.30 -0.22 0.25 7.33 1.13 -1.25 -4.95 117.35 117.33 1aua s TYR 13 Ca 0.28 0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 56.00 1aua s TYR 13 Cb 0.20 0.12 -0.15 0.00 -1.10 0.00 0.00 41.96 41.03 1aua s TYR 13 CO 0.45 -0.41 0.93 -2.30 -2.51 0.00 0.00 175.55 171.71 1aua n PRO 14 N 1.25 1.02 -0.04 -3.49 -0.02 -1.26 -4.94 135.00 127.51 1aua n PRO 14 Ca -0.21 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 61.64 1aua n PRO 14 Cb 0.56 -1.67 0.04 0.00 -0.02 0.00 0.00 33.50 32.41 1aua n PRO 14 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1aua n GLN 15 N 0.96 2.88 -4.45 -0.52 1.13 -1.26 -3.99 117.38 112.13 1aua n GLN 15 Ca 0.12 -1.68 -0.33 0.00 -1.94 0.00 0.00 57.00 53.18 1aua n GLN 15 Cb 0.29 -1.09 -0.16 0.00 0.11 0.00 0.00 30.24 29.39 1aua n GLN 15 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1aua s ASN 16 N -1.12 3.40 0.89 1.08 0.01 -1.26 -4.60 114.94 113.33 1aua s ASN 16 Ca 0.07 -0.55 -0.11 0.00 -0.71 0.00 0.00 52.86 51.56 1aua s ASN 16 Cb 0.04 -1.52 0.13 0.00 0.41 0.00 0.00 41.25 40.31 1aua s ASN 16 CO 0.03 0.06 1.11 0.00 -1.51 0.00 0.00 177.10 176.79 1aua s PRO 18 N -4.77 2.93 0.37 0.00 0.02 -1.26 -4.86 135.00 127.42 1aua s PRO 18 Ca 0.64 2.06 0.14 0.00 0.02 0.00 0.00 61.00 63.87 1aua s PRO 18 Cb -0.20 -2.05 0.99 0.00 0.02 0.00 0.00 34.50 33.26 1aua s PRO 18 CO 0.58 -1.30 1.78 -1.35 -0.33 0.00 0.00 177.00 176.38 1aua h PRO 19 N 1.05 0.49 -0.23 5.54 0.11 -1.95 -1.57 132.00 135.44 1aua h PRO 19 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1aua h PRO 19 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1aua h PRO 19 CO 0.55 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1aua n ASP 20 N -4.66 1.28 -4.78 -2.05 5.75 -1.26 -4.93 116.55 105.90 1aua n ASP 20 Ca 0.24 -1.95 -0.30 0.00 -0.01 0.00 0.00 54.79 52.77 1aua n ASP 20 Cb 0.76 -0.15 0.11 0.00 -1.03 0.00 0.00 41.12 40.81 1aua n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aua s ALA 21 N -1.70 1.94 0.33 2.12 0.00 -0.59 -4.98 121.76 118.88 1aua s ALA 21 Ca 0.18 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1aua s ALA 21 Cb 0.09 -3.11 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 1aua s ALA 21 CO 0.13 -2.02 1.52 1.28 0.00 0.00 0.00 175.76 176.66 1aua n LEU 22 N -3.63 4.36 -4.74 0.00 4.32 -1.26 -4.94 117.00 111.12 1aua n LEU 22 Ca 0.07 1.18 -0.38 0.00 -0.02 0.00 0.00 56.01 56.86 1aua n LEU 22 Cb 0.57 -1.58 0.06 0.00 -1.62 0.00 0.00 43.42 40.84 1aua n LEU 22 CO 0.56 0.06 0.95 -2.16 -1.22 0.00 0.00 177.39 175.58 1aua s PRO 23 N -1.21 2.81 0.00 3.23 0.04 -1.26 -3.14 135.00 135.46 1aua s PRO 23 Ca 0.59 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1aua s PRO 23 Cb -0.50 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1aua s PRO 23 CO 0.56 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1aua n GLY 24 N 0.82 0.51 3.84 0.56 0.00 -1.26 -4.99 105.19 104.68 1aua n GLY 24 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1aua n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aua s THR 25 N -2.15 4.57 -0.06 2.61 -4.23 -1.19 -4.71 115.64 110.49 1aua s THR 25 Ca 0.00 1.13 -0.38 0.00 -1.18 0.00 0.00 61.69 61.26 1aua s THR 25 Cb 0.00 -3.64 -0.16 0.00 1.34 0.00 0.00 72.50 70.03 1aua s THR 25 CO 0.00 -0.36 1.49 -2.65 -0.54 0.00 0.00 174.62 172.55 1aua n PRO 26 N -0.80 1.11 -0.45 3.99 -0.02 -1.26 -1.04 135.00 136.53 1aua n PRO 26 Ca 0.05 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1aua n PRO 26 Cb 0.54 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1aua n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aua n GLY 27 N 3.13 1.00 0.00 -1.23 0.00 -1.26 -1.24 105.19 105.59 1aua n GLY 27 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1aua n GLY 27 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aua n ASN 28 N 0.00 0.32 -4.71 1.61 3.02 -0.21 -4.91 115.26 110.38 1aua n ASN 28 Ca 0.00 -0.68 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 1aua n ASN 28 Cb 0.00 0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 1aua n ASN 28 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1aua s LEU 29 N -0.55 4.36 0.14 3.41 2.34 -1.07 -4.12 118.68 123.18 1aua s LEU 29 Ca 0.00 1.88 0.00 0.00 0.06 0.00 0.00 54.13 56.07 1aua s LEU 29 Cb 0.00 -3.57 0.00 0.00 -0.56 0.00 0.00 46.19 42.06 1aua s LEU 29 CO 0.00 -0.42 0.00 -0.67 -1.06 0.00 0.00 176.35 174.20 1aua n ASP 30 N 4.04 -1.01 -4.29 1.48 -0.08 -1.26 -4.75 116.55 110.68 1aua n ASP 30 Ca 0.08 0.27 -0.13 0.00 -1.51 0.00 0.00 54.79 53.50 1aua n ASP 30 Cb 0.48 1.19 -0.08 0.00 2.34 0.00 0.00 41.12 45.04 1aua n ASP 30 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1aua n SER 31 N -2.83 0.27 0.00 1.67 7.64 -1.26 -3.77 113.62 115.34 1aua n SER 31 Ca 0.00 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1aua n SER 31 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1aua n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aua n ALA 32 N 13.96 0.00 0.33 -0.43 0.00 -1.26 -4.68 120.51 128.44 1aua n ALA 32 Ca 0.28 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.87 1aua n ALA 32 Cb 0.46 -0.16 0.63 0.00 0.00 0.00 0.00 19.45 20.38 1aua n ALA 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1aua h GLN 33 N 0.00 0.00 -0.51 0.00 3.07 -1.95 -2.40 115.11 113.33 1aua h GLN 33 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 1aua h GLN 33 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 1aua h GLN 33 CO 0.00 0.00 -0.06 0.93 0.09 0.00 0.00 178.83 179.79 1aua h GLU 34 N 0.00 0.93 -0.02 0.06 5.08 -1.83 0.46 114.58 119.26 1aua h GLU 34 Ca 0.00 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 1aua h GLU 34 Cb 0.40 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1aua h GLU 34 CO 0.00 0.98 -0.55 0.87 -1.00 0.00 0.00 179.01 179.31 1aua h LYS 35 N 0.79 0.06 -0.43 2.33 1.79 -1.75 0.53 116.57 119.89 1aua h LYS 35 Ca 0.14 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.43 1aua h LYS 35 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1aua h LYS 35 CO 0.04 0.60 -0.26 0.00 -1.08 0.00 0.00 179.45 178.74 1aua h ALA 36 N 1.40 0.61 0.50 3.86 0.00 -1.16 -3.17 119.26 121.30 1aua h ALA 36 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1aua h ALA 36 Cb 0.99 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1aua h ALA 36 CO 0.08 0.63 -0.24 1.25 0.00 0.00 0.00 179.25 180.97 1aua h LEU 37 N 0.77 -0.57 -5.89 0.00 6.46 -0.63 -3.04 115.31 112.41 1aua h LEU 37 Ca 0.09 -0.07 -0.60 0.00 -0.12 0.00 0.00 57.88 57.18 1aua h LEU 37 Cb 0.84 0.15 0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1aua h LEU 37 CO 0.07 -0.23 2.81 0.00 -0.62 0.00 0.00 178.44 180.47 1aua n ALA 38 N -2.54 4.82 0.00 1.25 0.00 0.15 -1.81 120.51 122.39 1aua n ALA 38 Ca -0.11 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.16 1aua n ALA 38 Cb 0.31 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.34 1aua n ALA 38 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1aua n GLU 39 N 5.61 0.00 -0.02 0.00 2.13 -1.24 -4.81 120.64 122.32 1aua n GLU 39 Ca 0.53 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.34 1aua n GLU 39 Cb 0.31 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.29 1aua n GLU 39 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1aua h LEU 40 N 0.00 0.54 -0.50 4.31 5.85 -1.24 -2.14 115.31 122.14 1aua h LEU 40 Ca 0.00 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.46 1aua h LEU 40 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1aua h LEU 40 CO 0.00 0.61 -0.44 -0.09 -0.34 0.00 0.00 178.44 178.18 1aua h ARG 41 N 0.55 0.74 0.27 1.25 2.43 -1.84 -2.61 114.38 115.17 1aua h ARG 41 Ca 0.12 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1aua h ARG 41 Cb 0.35 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1aua h ARG 41 CO 0.01 1.03 -0.13 0.87 -1.51 0.00 0.00 179.97 180.24 1aua h LYS 42 N 0.59 -0.35 -0.66 0.20 1.79 -1.76 -1.32 116.57 115.06 1aua h LYS 42 Ca 0.04 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.62 1aua h LYS 42 Cb 1.00 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.66 1aua h LYS 42 CO 0.10 -0.11 0.30 -0.07 -1.08 0.00 0.00 179.45 178.59 1aua h LEU 43 N -0.55 0.37 -0.90 2.94 -0.00 -1.44 -1.75 115.31 113.98 1aua h LEU 43 Ca -0.04 0.07 -0.09 0.00 -0.00 0.00 0.00 57.88 57.82 1aua h LEU 43 Cb 0.40 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1aua h LEU 43 CO 0.06 0.21 -0.43 -0.07 -0.00 0.00 0.00 178.44 178.21 1aua h LEU 44 N 0.52 0.00 -0.36 1.67 3.38 -1.43 -1.69 115.31 117.40 1aua h LEU 44 Ca 0.33 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.11 1aua h LEU 44 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1aua h LEU 44 CO -0.28 0.43 -0.67 -0.33 0.09 0.00 0.00 178.44 177.68 1aua h GLU 45 N 0.00 0.60 -0.04 1.13 5.08 -0.41 -1.34 114.58 119.61 1aua h GLU 45 Ca -0.00 -0.45 -0.17 0.00 -1.00 0.00 0.00 59.36 57.74 1aua h GLU 45 Cb 0.94 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1aua h GLU 45 CO 0.06 1.07 -0.73 -0.44 -1.00 0.00 0.00 179.01 177.96 1aua h ASP 46 N 0.43 0.27 0.00 1.42 3.32 -1.26 -3.07 116.42 117.53 1aua h ASP 46 Ca -0.02 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1aua h ASP 46 Cb 1.26 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1aua h ASP 46 CO 0.13 0.91 0.00 0.00 -1.72 0.00 0.00 179.24 178.56 1aua n ALA 47 N -2.47 2.27 0.00 3.45 0.00 -0.64 -4.85 120.51 118.27 1aua n ALA 47 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1aua n ALA 47 Cb 0.71 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1aua n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aua n GLY 48 N 0.31 0.59 3.76 0.00 0.00 -1.16 -5.05 105.19 103.64 1aua n GLY 48 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1aua n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aua s PHE 49 N -2.18 3.36 0.00 1.61 0.08 -0.51 -4.96 117.98 115.38 1aua s PHE 49 Ca 0.00 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.60 1aua s PHE 49 Cb 0.00 -3.45 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1aua s PHE 49 CO 0.00 -1.13 0.00 0.44 -0.10 0.00 0.00 175.22 174.43 1aua n ILE 50 N 1.22 0.00 -2.67 0.64 -5.35 -1.26 -4.32 119.36 107.63 1aua n ILE 50 Ca 0.00 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.27 1aua n ILE 50 Cb 0.44 -0.58 0.04 0.00 -1.74 0.00 0.00 39.64 37.79 1aua n ILE 50 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1aua s GLU 51 N -1.97 2.51 -1.43 6.28 2.02 -1.26 -4.58 118.70 120.27 1aua s GLU 51 Ca 0.00 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.09 1aua s GLU 51 Cb 0.00 -2.50 0.04 0.00 0.10 0.00 0.00 34.13 31.76 1aua s GLU 51 CO 0.00 -0.72 0.69 0.54 0.02 0.00 0.00 175.26 175.78 1aua n ARG 52 N -2.33 -4.41 -0.10 1.61 1.74 -1.26 -4.89 116.66 107.02 1aua n ARG 52 Ca 0.08 0.53 0.03 0.00 -0.77 0.00 0.00 57.85 57.72 1aua n ARG 52 Cb 0.60 -5.05 0.08 0.00 -1.02 0.00 0.00 32.46 27.07 1aua n ARG 52 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1aua n LEU 53 N -4.42 2.49 -4.74 0.55 4.77 -1.26 -4.61 117.00 109.79 1aua n LEU 53 Ca -0.19 -1.97 -0.32 0.00 -0.03 0.00 0.00 56.01 53.51 1aua n LEU 53 Cb 0.63 -0.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.70 1aua n LEU 53 CO 0.74 0.62 0.71 1.51 -1.33 0.00 0.00 177.39 179.64 1aua s ASP 54 N -0.98 4.09 0.20 -1.43 -4.77 -1.26 -4.76 116.67 107.75 1aua s ASP 54 Ca 0.13 2.01 -0.15 0.00 -3.30 0.00 0.00 52.55 51.24 1aua s ASP 54 Cb 0.07 -2.55 0.19 0.00 -1.09 0.00 0.00 42.92 39.54 1aua s ASP 54 CO 0.09 -2.32 1.64 0.44 0.70 0.00 0.00 175.17 175.71 1aua h ASP 55 N -1.12 -0.55 -0.54 2.11 5.19 -1.99 -2.18 116.42 117.34 1aua h ASP 55 Ca -0.44 0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.19 1aua h ASP 55 Cb 1.25 0.36 -0.05 0.00 0.18 0.00 0.00 39.33 41.07 1aua h ASP 55 CO 0.49 -0.19 0.26 -1.28 -3.12 0.00 0.00 179.24 175.39 1aua h SER 56 N -0.01 0.35 0.28 6.45 0.87 -1.93 -1.70 113.55 117.87 1aua h SER 56 Ca 0.27 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1aua h SER 56 Cb 0.42 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1aua h SER 56 CO -0.58 0.23 -0.14 0.74 -0.53 0.00 0.00 176.83 176.56 1aua h THR 57 N 0.49 0.00 -0.67 2.23 2.02 -1.74 -2.63 112.91 112.61 1aua h THR 57 Ca 0.25 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.50 1aua h THR 57 Cb 0.19 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1aua h THR 57 CO -0.19 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 176.08 1aua h LEU 58 N -0.41 0.44 -1.15 2.58 3.38 -1.56 -0.91 115.31 117.68 1aua h LEU 58 Ca -0.04 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1aua h LEU 58 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1aua h LEU 58 CO 0.06 0.26 -0.12 -0.07 0.09 0.00 0.00 178.44 178.66 1aua h LEU 59 N 0.49 0.43 -0.65 1.67 3.38 -1.32 0.23 115.31 119.54 1aua h LEU 59 Ca 0.31 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 1aua h LEU 59 Cb 0.57 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1aua h LEU 59 CO -0.10 0.59 -0.65 0.03 0.09 0.00 0.00 178.44 178.40 1aua h ARG 60 N 0.42 0.12 -0.15 1.13 3.08 -0.79 0.17 114.38 118.36 1aua h ARG 60 Ca 0.08 -0.09 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 1aua h ARG 60 Cb 0.47 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1aua h ARG 60 CO 0.03 0.73 -0.70 0.74 -1.07 0.00 0.00 179.97 179.70 1aua h PHE 61 N 0.09 0.86 -0.22 3.04 0.04 -0.92 -2.00 116.94 117.83 1aua h PHE 61 Ca -0.01 -0.36 -0.14 0.00 2.80 0.00 0.00 57.97 60.27 1aua h PHE 61 Cb 1.16 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1aua h PHE 61 CO 0.01 1.15 -0.44 -0.07 -0.60 0.00 0.00 178.31 178.36 1aua h LEU 62 N 0.46 0.58 -0.67 1.54 3.38 -0.45 -3.04 115.31 117.11 1aua h LEU 62 Ca -0.03 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 1aua h LEU 62 Cb 1.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1aua h LEU 62 CO 0.14 0.94 -0.48 0.03 0.09 0.00 0.00 178.44 179.16 1aua h ARG 63 N 0.44 0.46 0.00 1.13 3.08 -0.87 0.78 114.38 119.39 1aua h ARG 63 Ca 0.03 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 1aua h ARG 63 Cb 0.95 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1aua h ARG 63 CO 0.08 0.84 -0.37 0.00 -1.07 0.00 0.00 179.97 179.46 1aua h ALA 64 N 1.12 1.08 -0.80 0.04 0.00 -1.35 -3.21 119.26 116.14 1aua h ALA 64 Ca 0.02 -0.33 -0.56 0.00 0.00 0.00 0.00 54.91 54.03 1aua h ALA 64 Cb 0.98 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.34 1aua h ALA 64 CO 0.09 0.46 -0.25 0.54 0.00 0.00 0.00 179.25 180.09 1aua n ARG 65 N -3.64 3.21 -1.19 0.00 5.12 -1.12 -4.96 116.66 114.08 1aua n ARG 65 Ca -0.01 -3.83 -0.08 0.00 -1.93 0.00 0.00 57.85 52.00 1aua n ARG 65 Cb 0.47 -2.25 -0.04 0.00 -1.16 0.00 0.00 32.46 29.49 1aua n ARG 65 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1aua n LYS 66 N -0.80 -1.26 -1.75 5.56 4.76 -1.09 -1.19 118.16 122.38 1aua n LYS 66 Ca 0.49 0.51 -0.01 0.00 -2.87 0.00 0.00 58.31 56.42 1aua n LYS 66 Cb 0.88 -4.61 -0.00 0.00 -1.84 0.00 0.00 35.03 29.46 1aua n LYS 66 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1aua n PHE 67 N -1.54 -0.05 -2.90 2.13 3.72 0.27 -4.99 117.46 114.10 1aua n PHE 67 Ca -0.08 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.88 1aua n PHE 67 Cb 0.29 -1.07 -0.04 0.00 -0.94 0.00 0.00 39.48 37.72 1aua n PHE 67 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1aua s ASP 68 N -2.95 6.30 0.54 4.37 2.15 -0.33 -4.88 116.67 121.87 1aua s ASP 68 Ca 0.00 -1.33 0.34 0.00 0.43 0.00 0.00 52.55 51.99 1aua s ASP 68 Cb 0.00 -2.40 1.52 0.00 -0.30 0.00 0.00 42.92 41.73 1aua s ASP 68 CO 0.00 -1.31 1.84 -0.37 -0.17 0.00 0.00 175.17 175.17 1aua h VAL 69 N 5.94 0.47 0.14 1.11 -1.51 -1.90 -1.55 116.25 118.95 1aua h VAL 69 Ca -0.16 -0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 1aua h VAL 69 Cb 1.06 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1aua h VAL 69 CO 1.16 0.00 -0.07 1.56 -1.23 0.00 0.00 177.57 178.99 1aua h GLN 70 N 0.01 -0.18 0.00 5.19 7.50 -1.97 -2.89 115.11 122.77 1aua h GLN 70 Ca 0.50 0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.63 1aua h GLN 70 Cb 2.00 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 29.57 1aua h GLN 70 CO -0.01 0.15 -0.17 -0.07 -1.50 0.00 0.00 178.83 177.24 1aua h LEU 71 N -0.52 0.00 -0.57 1.46 3.38 -1.68 -2.73 115.31 114.64 1aua h LEU 71 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1aua h LEU 71 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1aua h LEU 71 CO 0.03 0.17 -0.27 0.00 0.09 0.00 0.00 178.44 178.46 1aua h ALA 72 N 1.83 0.76 -0.51 1.53 0.00 -1.25 -0.84 119.26 120.78 1aua h ALA 72 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1aua h ALA 72 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1aua h ALA 72 CO 0.02 0.66 -0.07 -0.22 0.00 0.00 0.00 179.25 179.63 1aua h LYS 73 N 0.73 0.96 0.49 0.00 3.64 -1.28 0.11 116.57 121.23 1aua h LYS 73 Ca 0.09 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1aua h LYS 73 Cb 0.81 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1aua h LYS 73 CO 0.07 1.01 -0.24 1.49 -2.27 0.00 0.00 179.45 179.51 1aua h GLU 74 N 0.82 -0.64 -0.79 1.90 4.81 -1.40 0.50 114.58 119.78 1aua h GLU 74 Ca 0.14 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 1aua h GLU 74 Cb 0.63 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 1aua h GLU 74 CO 0.04 -0.37 0.52 1.98 -0.73 0.00 0.00 179.01 180.45 1aua h MET 75 N -0.79 0.85 0.12 1.92 4.05 -1.10 -1.04 114.93 118.94 1aua h MET 75 Ca -0.07 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1aua h MET 75 Cb 0.57 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1aua h MET 75 CO 0.11 0.56 -0.06 0.35 0.23 0.00 0.00 176.91 178.11 1aua h PHE 76 N 0.88 -0.15 -0.54 1.39 3.04 -0.57 -2.42 116.94 118.56 1aua h PHE 76 Ca 0.34 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.29 1aua h PHE 76 Cb 0.21 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 1aua h PHE 76 CO -0.00 0.23 0.34 0.93 -2.02 0.00 0.00 178.31 177.79 1aua h GLU 77 N -0.56 0.72 -0.39 1.11 5.08 -0.61 -1.75 114.58 118.19 1aua h GLU 77 Ca -0.02 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1aua h GLU 77 Cb 0.44 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1aua h GLU 77 CO 0.03 0.50 0.26 -0.97 -1.00 0.00 0.00 179.01 177.83 1aua h ASN 78 N 0.73 0.39 0.27 1.42 -1.24 -1.23 0.23 115.58 116.16 1aua h ASN 78 Ca 0.20 -0.01 -0.23 0.00 0.71 0.00 0.00 56.30 56.97 1aua h ASN 78 Cb -0.05 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.91 1aua h ASN 78 CO -0.04 0.28 -0.93 0.00 -1.29 0.00 0.00 177.43 175.44 1aua h GLU 80 N 0.26 0.14 -0.01 0.00 4.39 -0.32 -1.87 114.58 117.17 1aua h GLU 80 Ca -0.08 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1aua h GLU 80 Cb 1.57 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1aua h GLU 80 CO 0.17 0.57 0.00 -0.22 -1.16 0.00 0.00 179.01 178.36 1aua h LYS 81 N 0.12 0.02 -0.63 2.33 3.64 -0.52 -3.10 116.57 118.42 1aua h LYS 81 Ca 0.01 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1aua h LYS 81 Cb 0.84 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 1aua h LYS 81 CO 0.06 0.29 0.37 2.35 -2.27 0.00 0.00 179.45 180.25 1aua h TRP 82 N -0.25 0.69 -0.17 1.91 7.01 -1.18 -2.55 115.95 121.41 1aua h TRP 82 Ca 0.00 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1aua h TRP 82 Cb 0.28 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1aua h TRP 82 CO 0.02 0.37 0.05 0.00 -2.79 0.00 0.00 178.44 176.09 1aua h ARG 83 N 0.71 0.23 0.02 2.65 3.08 -1.36 -1.04 114.38 118.68 1aua h ARG 83 Ca 0.26 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 1aua h ARG 83 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1aua h ARG 83 CO -0.13 0.21 -0.01 -0.22 -1.07 0.00 0.00 179.97 178.75 1aua h LYS 84 N 0.24 -0.02 0.98 0.04 1.63 -1.40 -2.27 116.57 115.76 1aua h LYS 84 Ca 0.06 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1aua h LYS 84 Cb 0.08 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1aua h LYS 84 CO -0.00 0.58 -0.47 -0.44 -3.45 0.00 0.00 179.45 175.67 1aua h ASP 85 N -0.65 -1.11 0.36 4.20 3.32 -1.28 -3.17 116.42 118.09 1aua h ASP 85 Ca -0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1aua h ASP 85 Cb 0.61 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1aua h ASP 85 CO 0.00 -0.80 -0.00 0.22 -1.72 0.00 0.00 179.24 176.94 1aua h TYR 86 N -1.31 0.00 -2.34 4.55 3.20 -1.33 -3.46 116.97 116.27 1aua h TYR 86 Ca -0.13 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.59 1aua h TYR 86 Cb 1.01 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.31 1aua h TYR 86 CO -0.00 0.00 -0.23 0.41 -1.64 0.00 0.00 178.16 176.70 1aua n GLY 87 N -0.69 0.35 0.26 1.82 0.00 -0.92 -4.95 105.19 101.06 1aua n GLY 87 Ca -0.02 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1aua n GLY 87 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aua h THR 88 N -0.74 1.27 -0.26 2.61 2.02 -1.73 -2.88 112.91 113.21 1aua h THR 88 Ca -0.19 -1.18 0.07 0.00 0.77 0.00 0.00 66.41 65.88 1aua h THR 88 Cb 1.13 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1aua h THR 88 CO 0.20 0.41 0.37 0.44 0.37 0.00 0.00 175.52 177.30 1aua h ASP 89 N 0.73 0.00 0.00 4.18 3.32 -1.93 0.51 116.42 123.23 1aua h ASP 89 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1aua h ASP 89 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1aua h ASP 89 CO 0.04 0.00 -0.00 0.35 -1.72 0.00 0.00 179.24 177.91 1aua n THR 90 N -3.50 1.70 0.11 0.35 -2.24 -1.17 -4.76 114.28 104.77 1aua n THR 90 Ca 0.04 -1.99 -0.00 0.00 -2.27 0.00 0.00 64.05 59.82 1aua n THR 90 Cb 0.50 -0.08 0.28 0.00 -2.10 0.00 0.00 70.33 68.93 1aua n THR 90 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1aua h ILE 91 N 0.01 1.28 0.00 2.28 2.10 -0.67 0.78 117.51 123.29 1aua h ILE 91 Ca 0.00 -1.32 -0.02 0.00 1.08 0.00 0.00 64.86 64.60 1aua h ILE 91 Cb 0.89 1.58 -0.00 0.00 -1.09 0.00 0.00 36.82 38.20 1aua h ILE 91 CO 0.00 0.39 -0.10 -0.07 -1.08 0.00 0.00 178.15 177.30 1aua h LEU 92 N 0.18 0.00 0.00 2.19 3.38 -1.86 -2.73 115.31 116.47 1aua h LEU 92 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1aua h LEU 92 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1aua h LEU 92 CO 0.05 0.10 -0.35 0.00 0.09 0.00 0.00 178.44 178.33 1aua n GLN 93 N -3.53 4.80 -0.02 1.13 10.64 -1.10 -4.74 117.38 124.57 1aua n GLN 93 Ca -0.02 -0.01 -0.22 0.00 -1.83 0.00 0.00 57.00 54.93 1aua n GLN 93 Cb 0.23 -0.74 -0.13 0.00 -0.86 0.00 0.00 30.24 28.74 1aua n GLN 93 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1aua h ASP 94 N 0.00 0.31 -3.17 2.61 5.19 -0.82 -3.48 116.42 117.07 1aua h ASP 94 Ca 0.00 -0.82 -0.60 0.00 -0.62 0.00 0.00 57.03 54.99 1aua h ASP 94 Cb 0.10 -0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.44 1aua h ASP 94 CO 0.00 1.73 -0.22 0.12 -3.12 0.00 0.00 179.24 177.75 1aua s PHE 95 N -2.50 3.60 -0.21 4.55 5.36 -1.03 -5.07 117.98 122.68 1aua s PHE 95 Ca -0.23 0.86 -0.00 0.00 -0.96 0.00 0.00 56.93 56.59 1aua s PHE 95 Cb 0.06 -2.37 0.06 0.00 -0.34 0.00 0.00 43.02 40.42 1aua s PHE 95 CO 0.73 0.41 -0.03 -1.01 -1.46 0.00 0.00 175.22 173.85 1aua s HIS 96 N -0.19 1.92 -1.13 10.12 3.76 -1.26 -4.88 115.29 123.63 1aua s HIS 96 Ca 0.23 -1.40 -0.06 0.00 -0.15 0.00 0.00 55.06 53.68 1aua s HIS 96 Cb -0.15 -1.39 0.06 0.00 1.11 0.00 0.00 32.58 32.21 1aua s HIS 96 CO 0.10 -0.70 2.59 0.98 -0.85 0.00 0.00 174.74 176.86 1aua n TYR 97 N 4.80 2.26 0.12 1.40 9.36 -1.26 -4.71 117.16 129.13 1aua n TYR 97 Ca -0.11 -2.62 0.06 0.00 3.32 0.00 0.00 57.90 58.54 1aua n TYR 97 Cb 0.46 -1.82 0.32 0.00 -0.63 0.00 0.00 39.34 37.66 1aua n TYR 97 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1aua n ASP 98 N 1.82 0.30 0.02 2.98 8.00 -1.26 -1.11 116.55 127.30 1aua n ASP 98 Ca 0.61 0.63 0.13 0.00 0.71 0.00 0.00 54.79 56.87 1aua n ASP 98 Cb 0.33 -0.67 0.43 0.00 -0.02 0.00 0.00 41.12 41.19 1aua n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1aua n GLU 99 N -1.90 0.07 -0.27 -1.24 4.71 -1.26 -4.39 120.64 116.36 1aua n GLU 99 Ca -0.00 0.04 -0.03 0.00 -0.01 0.00 0.00 57.16 57.15 1aua n GLU 99 Cb 0.03 -1.56 0.02 0.00 -1.01 0.00 0.00 31.44 28.93 1aua n GLU 99 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1aua h LYS 100 N 0.00 -0.09 -0.36 3.49 3.64 -1.52 0.07 116.57 121.79 1aua h LYS 100 Ca 0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1aua h LYS 100 Cb 0.56 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1aua h LYS 100 CO 0.00 -0.06 0.25 -1.00 -2.27 0.00 0.00 179.45 176.37 1aua h PRO 101 N -0.10 0.12 -0.00 1.90 0.13 -1.84 0.14 132.00 132.36 1aua h PRO 101 Ca 0.28 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 65.19 1aua h PRO 101 Cb 0.57 -0.03 0.02 0.00 0.13 0.00 0.00 31.00 31.69 1aua h PRO 101 CO -0.80 0.08 -0.85 -0.07 -0.23 0.00 0.00 178.00 176.13 1aua h LEU 102 N 0.13 0.75 -0.06 1.56 3.38 -1.31 -3.38 115.31 116.38 1aua h LEU 102 Ca 0.17 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1aua h LEU 102 Cb 0.50 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1aua h LEU 102 CO -0.02 1.40 -0.90 2.30 0.09 0.00 0.00 178.44 181.32 1aua n ILE 103 N -4.01 0.00 -0.33 1.22 -6.64 -0.75 -4.61 119.36 104.24 1aua n ILE 103 Ca -0.11 -0.05 0.13 0.00 -1.77 0.00 0.00 62.75 60.95 1aua n ILE 103 Cb 0.79 1.01 0.32 0.00 -1.44 0.00 0.00 39.64 40.32 1aua n ILE 103 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1aua h ALA 104 N 2.82 1.56 0.00 -1.28 0.00 -0.90 -0.38 119.26 121.08 1aua h ALA 104 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1aua h ALA 104 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1aua h ALA 104 CO 0.00 -0.21 0.00 1.57 0.00 0.00 0.00 179.25 180.61 1aua h LYS 105 N 0.58 0.00 0.00 0.00 2.10 -1.84 -0.67 116.57 116.74 1aua h LYS 105 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 1aua h LYS 105 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1aua h LYS 105 CO -0.45 0.00 -0.98 1.19 -2.00 0.00 0.00 179.45 177.21 1aua n PHE 106 N -2.35 0.03 -2.72 0.07 3.72 -0.16 -4.64 117.46 111.41 1aua n PHE 106 Ca 0.01 0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.37 1aua n PHE 106 Cb 0.17 -0.13 0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1aua n PHE 106 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1aua n TYR 107 N -1.60 -2.52 0.00 1.38 4.19 -1.02 -0.35 117.16 117.23 1aua n TYR 107 Ca 0.03 -1.15 0.00 0.00 3.31 0.00 0.00 57.90 60.09 1aua n TYR 107 Cb 0.36 1.35 0.00 0.00 0.49 0.00 0.00 39.34 41.54 1aua n TYR 107 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1aua n PRO 108 N 2.48 0.00 -2.40 2.98 -0.02 -0.29 -4.72 135.00 133.04 1aua n PRO 108 Ca 0.13 0.10 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 1aua n PRO 108 Cb 0.61 -0.27 -0.01 0.00 -0.02 0.00 0.00 33.50 33.81 1aua n PRO 108 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1aua n GLN 109 N -0.38 -4.04 -3.59 -0.52 6.02 -1.24 -4.87 117.38 108.75 1aua n GLN 109 Ca 0.00 2.97 -0.11 0.00 -0.01 0.00 0.00 57.00 59.84 1aua n GLN 109 Cb 0.00 -3.91 -0.06 0.00 1.02 0.00 0.00 30.24 27.29 1aua n GLN 109 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1aua s TYR 110 N -0.48 -0.48 0.04 1.08 1.13 -0.87 -4.93 117.35 112.85 1aua s TYR 110 Ca -0.06 0.97 -0.04 0.00 -1.41 0.00 0.00 57.07 56.53 1aua s TYR 110 Cb 0.00 0.40 -0.05 0.00 -1.10 0.00 0.00 41.96 41.22 1aua s TYR 110 CO 0.16 -0.35 0.26 0.71 -2.51 0.00 0.00 175.55 173.82 1aua s TYR 111 N -0.58 3.54 -0.28 -3.49 1.51 -1.26 -0.64 117.35 116.15 1aua s TYR 111 Ca -0.01 0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 56.47 1aua s TYR 111 Cb -0.02 -1.91 0.16 0.00 -0.11 0.00 0.00 41.96 40.09 1aua s TYR 111 CO 0.00 0.58 0.52 -1.58 -1.11 0.00 0.00 175.55 173.96 1aua s HIS 112 N -1.42 -1.30 0.00 2.71 2.46 -0.36 -4.30 115.29 113.08 1aua s HIS 112 Ca 0.32 1.42 0.00 0.00 0.47 0.00 0.00 55.06 57.27 1aua s HIS 112 Cb -0.13 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.70 1aua s HIS 112 CO 0.21 -0.80 0.00 1.63 -2.47 0.00 0.00 174.74 173.31 1aua n LYS 113 N 5.41 0.00 -4.26 2.88 5.02 0.27 -4.01 118.16 123.47 1aua n LYS 113 Ca -0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 1aua n LYS 113 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.41 1aua n LYS 113 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1aua s THR 114 N 0.00 0.77 0.54 -0.18 -4.23 -1.26 -0.96 115.64 110.32 1aua s THR 114 Ca 0.00 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1aua s THR 114 Cb 0.00 -2.15 0.11 0.00 1.34 0.00 0.00 72.50 71.79 1aua s THR 114 CO 0.00 -0.45 0.73 -0.90 -0.54 0.00 0.00 174.62 173.46 1aua n ASP 115 N -0.28 0.84 0.15 3.99 5.75 -0.51 -4.55 116.55 121.95 1aua n ASP 115 Ca -0.06 -1.74 0.11 0.00 -0.01 0.00 0.00 54.79 53.08 1aua n ASP 115 Cb 0.63 -0.49 0.54 0.00 -1.03 0.00 0.00 41.12 40.77 1aua n ASP 115 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1aua n LYS 116 N -2.39 0.15 -0.05 0.11 2.85 0.63 -2.00 118.16 117.46 1aua n LYS 116 Ca 0.12 0.56 0.12 0.00 -1.05 0.00 0.00 58.31 58.05 1aua n LYS 116 Cb 0.41 -1.91 0.16 0.00 -0.65 0.00 0.00 35.03 33.04 1aua n LYS 116 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1aua n ASP 117 N -2.22 3.04 0.00 -5.58 8.00 -1.26 -4.96 116.55 113.56 1aua n ASP 117 Ca -0.00 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1aua n ASP 117 Cb 0.10 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1aua n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aua n GLY 118 N 1.38 0.80 3.75 0.44 0.00 -0.85 -4.94 105.19 105.78 1aua n GLY 118 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1aua n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aua s ARG 119 N -0.69 4.43 0.29 1.61 0.52 -1.26 -4.75 118.95 119.10 1aua s ARG 119 Ca 0.00 2.04 -0.29 0.00 -0.52 0.00 0.00 55.73 56.96 1aua s ARG 119 Cb 0.00 -3.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.20 1aua s ARG 119 CO 0.00 -0.15 1.27 -1.25 0.02 0.00 0.00 175.30 175.19 1aua s PRO 120 N -0.75 4.42 -0.18 3.54 0.04 -1.26 -1.42 135.00 139.40 1aua s PRO 120 Ca 0.52 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 1aua s PRO 120 Cb -0.36 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1aua s PRO 120 CO 0.42 -0.12 0.43 0.08 0.04 0.00 0.00 177.00 177.85 1aua s VAL 121 N -0.89 5.19 -0.19 -0.36 1.01 -0.13 -0.78 120.40 124.25 1aua s VAL 121 Ca 0.50 0.79 -0.05 0.00 0.00 0.00 0.00 61.98 63.22 1aua s VAL 121 Cb -0.38 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1aua s VAL 121 CO 0.48 0.27 0.00 -0.47 0.00 0.00 0.00 175.10 175.38 1aua s TYR 122 N 1.10 3.06 -0.12 5.22 5.04 0.17 -1.22 117.35 130.60 1aua s TYR 122 Ca 0.21 -0.37 -0.03 0.00 -2.44 0.00 0.00 57.07 54.44 1aua s TYR 122 Cb -0.15 -2.06 -0.03 0.00 0.35 0.00 0.00 41.96 40.07 1aua s TYR 122 CO 0.08 -0.17 -0.01 -0.06 -1.34 0.00 0.00 175.55 174.05 1aua s PHE 123 N 0.83 3.09 -0.22 4.97 0.40 0.19 0.43 117.98 127.67 1aua s PHE 123 Ca 0.01 -0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.29 1aua s PHE 123 Cb -0.14 -1.87 0.07 0.00 0.51 0.00 0.00 43.02 41.59 1aua s PHE 123 CO 0.02 0.24 0.07 -2.00 0.70 0.00 0.00 175.22 174.24 1aua s GLU 124 N -0.29 0.49 -1.30 0.44 2.12 0.35 -2.05 118.70 118.46 1aua s GLU 124 Ca 0.06 -0.47 -0.11 0.00 0.36 0.00 0.00 54.97 54.80 1aua s GLU 124 Cb -0.12 -1.92 0.14 0.00 0.26 0.00 0.00 34.13 32.48 1aua s GLU 124 CO 0.02 -0.75 1.86 0.39 -0.54 0.00 0.00 175.26 176.25 1aua n GLU 125 N 5.09 3.41 0.04 4.30 1.02 -1.26 -0.89 120.64 132.34 1aua n GLU 125 Ca -0.07 -3.39 0.00 0.00 -0.02 0.00 0.00 57.16 53.68 1aua n GLU 125 Cb 0.46 -3.05 0.31 0.00 -0.02 0.00 0.00 31.44 29.14 1aua n GLU 125 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1aua h LEU 126 N 8.87 0.41 -0.97 -4.62 5.85 -1.83 -2.68 115.31 120.35 1aua h LEU 126 Ca 0.42 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1aua h LEU 126 Cb 0.69 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1aua h LEU 126 CO 1.60 0.53 0.00 0.61 -0.34 0.00 0.00 178.44 180.85 1aua n GLY 127 N -0.81 -1.15 0.09 3.75 0.00 0.24 -2.04 105.19 105.27 1aua n GLY 127 Ca 0.01 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1aua n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aua n ALA 128 N -1.78 4.33 -1.51 4.61 0.00 -1.01 -3.23 120.51 121.92 1aua n ALA 128 Ca 0.01 -0.57 -0.45 0.00 0.00 0.00 0.00 53.44 52.43 1aua n ALA 128 Cb 0.17 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1aua n ALA 128 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1aua n VAL 129 N -1.21 1.98 -3.37 0.00 3.14 -0.86 -4.73 118.33 113.26 1aua n VAL 129 Ca 0.05 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.68 1aua n VAL 129 Cb 0.36 -0.62 -0.10 0.00 -1.06 0.00 0.00 33.84 32.42 1aua n VAL 129 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1aua s ASN 130 N -0.75 1.66 0.25 6.55 3.84 0.52 -4.99 114.94 122.02 1aua s ASN 130 Ca 0.61 -2.59 -0.06 0.00 0.21 0.00 0.00 52.86 51.02 1aua s ASN 130 Cb -0.77 -0.19 0.25 0.00 -0.55 0.00 0.00 41.25 39.99 1aua s ASN 130 CO 0.58 -0.21 1.92 -0.07 -2.79 0.00 0.00 177.10 176.53 1aua h LEU 131 N 6.13 1.14 0.07 3.21 -0.00 -1.93 -2.27 115.31 121.65 1aua h LEU 131 Ca 0.18 -0.04 0.02 0.00 -0.00 0.00 0.00 57.88 58.03 1aua h LEU 131 Cb 0.95 -0.29 -0.03 0.00 -0.00 0.00 0.00 40.66 41.30 1aua h LEU 131 CO 0.30 0.84 -0.17 -0.74 -0.00 0.00 0.00 178.44 178.66 1aua h HIS 132 N 1.34 -0.45 0.00 1.13 2.76 -1.97 0.36 115.15 118.32 1aua h HIS 132 Ca 0.36 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1aua h HIS 132 Cb -0.14 0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 1aua h HIS 132 CO 0.00 -0.25 -0.06 1.49 -1.30 0.00 0.00 177.93 177.80 1aua h GLU 133 N -0.32 0.00 0.08 5.26 4.57 -1.97 -2.76 114.58 119.43 1aua h GLU 133 Ca 0.03 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.92 1aua h GLU 133 Cb 0.35 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1aua h GLU 133 CO -0.12 0.06 -1.50 0.52 -1.18 0.00 0.00 179.01 176.79 1aua h MET 134 N 0.00 0.16 0.00 1.92 2.86 -0.65 -3.33 114.93 115.89 1aua h MET 134 Ca -0.00 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1aua h MET 134 Cb 0.33 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1aua h MET 134 CO 0.01 0.98 0.00 0.09 1.06 0.00 0.00 176.91 179.05 1aua n ASN 135 N -3.36 0.00 0.05 1.22 5.03 0.12 -1.75 115.26 116.56 1aua n ASN 135 Ca -0.15 0.42 -0.14 0.00 0.87 0.00 0.00 54.58 55.58 1aua n ASN 135 Cb 1.03 -0.45 -0.04 0.00 -1.02 0.00 0.00 39.78 39.30 1aua n ASN 135 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1aua h LYS 136 N 0.00 0.50 0.00 3.52 1.57 -1.67 -3.41 116.57 117.09 1aua h LYS 136 Ca 0.00 -0.49 -0.17 0.00 -1.87 0.00 0.00 60.65 58.12 1aua h LYS 136 Cb 0.16 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1aua h LYS 136 CO 0.00 1.13 -1.43 0.28 -0.57 0.00 0.00 179.45 178.86 1aua n VAL 137 N -3.81 1.50 -2.38 0.50 0.31 -0.83 -5.07 118.33 108.55 1aua n VAL 137 Ca -0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1aua n VAL 137 Cb 0.80 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1aua n VAL 137 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1aua n THR 138 N -4.42 0.00 -3.78 2.52 -2.24 -0.72 -5.09 114.28 100.56 1aua n THR 138 Ca -0.28 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 1aua n THR 138 Cb 0.61 -0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1aua n THR 138 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1aua s SER 139 N 0.10 -0.06 0.38 3.42 1.04 -1.26 -4.53 113.70 112.80 1aua s SER 139 Ca 0.00 -0.55 0.09 0.00 0.48 0.00 0.00 55.95 55.96 1aua s SER 139 Cb 0.00 0.43 0.83 0.00 0.10 0.00 0.00 66.02 67.38 1aua s SER 139 CO 0.00 -0.83 1.95 -0.08 0.98 0.00 0.00 173.24 175.26 1aua h GLU 140 N 2.53 0.63 -0.61 4.02 4.81 -1.99 -1.72 114.58 122.24 1aua h GLU 140 Ca -0.33 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1aua h GLU 140 Cb 1.23 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1aua h GLU 140 CO 0.50 0.42 0.29 1.49 -0.73 0.00 0.00 179.01 180.97 1aua h GLU 141 N 0.65 0.89 -0.28 1.92 4.81 -1.99 -1.89 114.58 118.68 1aua h GLU 141 Ca 0.32 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 59.24 1aua h GLU 141 Cb 0.41 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1aua h GLU 141 CO -0.11 0.72 -0.51 0.00 -0.73 0.00 0.00 179.01 178.38 1aua h ARG 142 N 0.84 0.80 -0.43 1.92 3.08 -1.75 -2.06 114.38 116.79 1aua h ARG 142 Ca 0.21 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1aua h ARG 142 Cb 0.14 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1aua h ARG 142 CO -0.02 1.12 0.15 0.52 -1.07 0.00 0.00 179.97 180.66 1aua h MET 143 N 0.63 0.62 -0.03 0.04 2.86 -1.23 -0.15 114.93 117.66 1aua h MET 143 Ca 0.02 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.42 1aua h MET 143 Cb 1.10 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1aua h MET 143 CO 0.11 0.53 -0.69 -0.07 1.06 0.00 0.00 176.91 177.85 1aua h LEU 144 N 0.61 0.17 -0.75 1.22 3.38 -1.18 -1.69 115.31 117.07 1aua h LEU 144 Ca 0.15 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1aua h LEU 144 Cb 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1aua h LEU 144 CO -0.01 0.80 -0.40 0.11 0.09 0.00 0.00 178.44 179.03 1aua h LYS 145 N 0.10 0.47 -0.36 1.13 1.79 -0.57 -2.23 116.57 116.90 1aua h LYS 145 Ca -0.01 -0.23 -0.12 0.00 -2.18 0.00 0.00 60.65 58.10 1aua h LYS 145 Cb 1.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 1aua h LYS 145 CO 0.10 0.80 -0.28 -0.97 -1.08 0.00 0.00 179.45 178.02 1aua h ASN 146 N 0.39 0.77 -0.57 0.86 -1.24 -0.83 -0.76 115.58 114.19 1aua h ASN 146 Ca 0.04 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 56.72 1aua h ASN 146 Cb 0.88 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.69 1aua h ASN 146 CO 0.07 1.00 0.27 0.25 -1.29 0.00 0.00 177.43 177.74 1aua h LEU 147 N 0.64 0.76 -0.57 0.34 5.85 -1.02 -0.47 115.31 120.84 1aua h LEU 147 Ca 0.08 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 1aua h LEU 147 Cb 0.80 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1aua h LEU 147 CO 0.07 0.68 -0.70 0.58 -0.34 0.00 0.00 178.44 178.73 1aua h VAL 148 N 0.78 1.47 -0.59 1.05 2.07 -1.31 -2.03 116.25 117.69 1aua h VAL 148 Ca 0.20 -2.32 -0.08 0.00 0.82 0.00 0.00 66.70 65.32 1aua h VAL 148 Cb 0.13 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1aua h VAL 148 CO -0.02 0.67 0.07 -0.25 0.02 0.00 0.00 177.57 178.05 1aua h TRP 149 N 0.06 1.07 -0.24 1.57 7.01 -0.75 -0.74 115.95 123.94 1aua h TRP 149 Ca -0.01 -0.16 -0.20 0.00 2.11 0.00 0.00 58.89 60.63 1aua h TRP 149 Cb 1.24 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 28.02 1aua h TRP 149 CO 0.01 0.94 -0.62 0.93 -2.79 0.00 0.00 178.44 176.91 1aua h GLU 150 N 0.90 0.83 -0.86 2.65 4.39 -1.06 -2.53 114.58 118.89 1aua h GLU 150 Ca 0.18 -0.57 0.02 0.00 0.34 0.00 0.00 59.36 59.32 1aua h GLU 150 Cb 0.46 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 1aua h GLU 150 CO 0.02 1.20 0.57 1.88 -1.16 0.00 0.00 179.01 181.51 1aua h TYR 151 N 0.62 1.07 0.00 4.33 0.05 -1.17 -0.84 116.97 121.03 1aua h TYR 151 Ca -0.01 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1aua h TYR 151 Cb 1.23 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1aua h TYR 151 CO 0.07 0.66 -0.21 0.93 -1.05 0.00 0.00 178.16 178.56 1aua h GLU 152 N 1.15 0.00 0.03 4.88 4.39 -1.06 -2.11 114.58 121.85 1aua h GLU 152 Ca 0.32 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.81 1aua h GLU 152 Cb -0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1aua h GLU 152 CO -0.08 0.21 -0.97 0.77 -1.16 0.00 0.00 179.01 177.78 1aua h SER 153 N 0.00 0.28 0.13 1.42 0.02 -0.87 -2.54 113.55 111.98 1aua h SER 153 Ca -0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1aua h SER 153 Cb 0.57 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1aua h SER 153 CO 0.03 1.09 -0.06 0.58 -1.14 0.00 0.00 176.83 177.33 1aua h VAL 154 N 0.10 0.92 -0.06 2.27 2.07 -0.53 0.95 116.25 121.97 1aua h VAL 154 Ca -0.06 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 1aua h VAL 154 Cb 1.64 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1aua h VAL 154 CO 0.15 0.04 -0.56 0.58 0.02 0.00 0.00 177.57 177.80 1aua h VAL 155 N -0.26 1.38 -0.07 2.57 2.07 -1.56 0.85 116.25 121.24 1aua h VAL 155 Ca -0.02 -1.93 -0.23 0.00 0.82 0.00 0.00 66.70 65.34 1aua h VAL 155 Cb 0.21 2.35 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1aua h VAL 155 CO 0.03 0.57 -0.88 1.56 0.02 0.00 0.00 177.57 178.88 1aua h GLN 156 N 0.05 0.65 0.00 1.57 1.08 -1.55 -3.40 115.11 113.51 1aua h GLN 156 Ca -0.05 -0.60 -0.01 0.00 -1.45 0.00 0.00 58.65 56.53 1aua h GLN 156 Cb 1.23 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1aua h GLN 156 CO 0.11 1.21 -0.51 0.66 -0.95 0.00 0.00 178.83 179.35 1aua n TYR 157 N -3.86 0.00 0.07 2.96 4.01 -0.57 -4.74 117.16 115.02 1aua n TYR 157 Ca -0.08 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.54 1aua n TYR 157 Cb 0.80 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.72 1aua n TYR 157 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aua h ARG 158 N -0.06 -0.13 -0.11 -0.72 3.08 -0.68 -2.63 114.38 113.12 1aua h ARG 158 Ca -0.02 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1aua h ARG 158 Cb 0.49 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1aua h ARG 158 CO -0.01 -0.09 0.04 -0.07 -1.07 0.00 0.00 179.97 178.77 1aua h LEU 159 N -0.14 0.15 -1.05 3.04 3.38 0.50 -0.70 115.31 120.50 1aua h LEU 159 Ca 0.01 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1aua h LEU 159 Cb 0.15 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1aua h LEU 159 CO -0.03 0.27 0.64 1.55 0.09 0.00 0.00 178.44 180.96 1aua h PRO 160 N 0.02 1.26 -0.56 1.13 0.13 -1.76 -0.34 132.00 131.88 1aua h PRO 160 Ca 0.04 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1aua h PRO 160 Cb 0.16 -0.28 -0.02 0.00 0.13 0.00 0.00 31.00 30.99 1aua h PRO 160 CO -0.00 0.83 0.08 0.00 -0.23 0.00 0.00 178.00 178.68 1aua h ALA 161 N 1.40 0.74 -0.29 -0.56 0.00 -1.33 -2.57 119.26 116.65 1aua h ALA 161 Ca 0.37 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1aua h ALA 161 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1aua h ALA 161 CO -0.09 0.50 -0.11 0.00 0.00 0.00 0.00 179.25 179.54 1aua h SER 163 N 0.45 0.19 -0.61 0.00 0.02 -0.83 -0.35 113.55 112.42 1aua h SER 163 Ca 0.09 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1aua h SER 163 Cb 0.47 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1aua h SER 163 CO 0.03 0.28 0.39 0.03 -1.14 0.00 0.00 176.83 176.42 1aua h ARG 164 N 0.09 0.82 -0.06 3.45 3.08 -1.27 0.30 114.38 120.79 1aua h ARG 164 Ca 0.05 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1aua h ARG 164 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1aua h ARG 164 CO -0.00 0.56 -0.50 0.00 -1.07 0.00 0.00 179.97 178.95 1aua h ALA 165 N 1.21 1.05 -0.00 0.04 0.00 -1.24 -3.15 119.26 117.16 1aua h ALA 165 Ca 0.22 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1aua h ALA 165 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1aua h ALA 165 CO -0.04 0.65 -0.57 0.00 0.00 0.00 0.00 179.25 179.29 1aua n ALA 166 N -2.46 3.74 -0.64 0.00 0.00 -0.15 -4.96 120.51 116.03 1aua n ALA 166 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1aua n ALA 166 Cb 0.54 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1aua n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aua n GLY 167 N 1.46 1.46 3.29 0.00 0.00 0.07 -4.97 105.19 106.50 1aua n GLY 167 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1aua n GLY 167 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aua s HIS 168 N -3.39 1.58 0.00 1.61 -3.43 -1.11 -4.88 115.29 105.67 1aua s HIS 168 Ca 0.00 -1.52 0.00 0.00 -0.80 0.00 0.00 55.06 52.74 1aua s HIS 168 Cb 0.00 -0.73 0.00 0.00 -1.43 0.00 0.00 32.58 30.42 1aua s HIS 168 CO 0.00 -0.71 0.00 -0.11 -2.00 0.00 0.00 174.74 171.92 1aua n LEU 169 N -0.54 0.00 -1.13 5.38 0.00 -1.04 -4.26 117.00 115.41 1aua n LEU 169 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 1aua n LEU 169 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.06 1aua n LEU 169 CO 0.33 0.00 0.00 0.52 0.00 0.00 0.00 177.39 178.24 1aua n VAL 170 N 0.00 -1.90 0.29 1.96 0.31 -1.26 -3.72 118.33 114.01 1aua n VAL 170 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1aua n VAL 170 Cb 0.00 -2.80 -0.09 0.00 -0.91 0.00 0.00 33.84 30.04 1aua n VAL 170 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1aua n GLU 171 N 0.13 1.65 -3.87 5.55 1.02 -1.26 -4.80 120.64 119.06 1aua n GLU 171 Ca 0.00 -0.06 -0.24 0.00 -0.02 0.00 0.00 57.16 56.85 1aua n GLU 171 Cb 0.00 -1.20 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1aua n GLU 171 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1aua s THR 172 N -2.53 2.31 0.29 2.62 -4.23 -1.26 -4.67 115.64 108.17 1aua s THR 172 Ca 0.00 -1.52 0.11 0.00 -1.18 0.00 0.00 61.69 59.10 1aua s THR 172 Cb 0.09 -2.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 1aua s THR 172 CO 0.52 0.00 -0.16 -0.94 -0.54 0.00 0.00 174.62 173.51 1aua s SER 173 N -4.06 3.51 -0.29 3.99 1.04 -0.51 -4.28 113.70 113.09 1aua s SER 173 Ca 0.42 -1.09 -0.03 0.00 0.48 0.00 0.00 55.95 55.74 1aua s SER 173 Cb -0.00 -0.29 0.04 0.00 0.10 0.00 0.00 66.02 65.86 1aua s SER 173 CO 0.24 -0.07 0.01 0.00 0.98 0.00 0.00 173.24 174.40 1aua s THR 175 N 1.33 4.87 -0.20 0.00 -1.32 -0.92 0.46 115.64 119.86 1aua s THR 175 Ca -0.02 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1aua s THR 175 Cb -0.18 -3.14 0.05 0.00 -1.51 0.00 0.00 72.50 67.72 1aua s THR 175 CO -0.01 0.53 -0.07 -0.63 -2.21 0.00 0.00 174.62 172.23 1aua s ILE 176 N -1.04 1.41 -0.18 5.08 1.01 0.17 -1.35 121.20 126.29 1aua s ILE 176 Ca 0.17 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1aua s ILE 176 Cb -0.12 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1aua s ILE 176 CO 0.07 0.06 -0.00 -0.32 0.00 0.00 0.00 174.94 174.74 1aua s MET 177 N 1.48 3.69 -0.25 2.79 1.75 0.27 -0.50 119.30 128.54 1aua s MET 177 Ca -0.02 -0.49 -0.08 0.00 -1.25 0.00 0.00 55.69 53.84 1aua s MET 177 Cb -0.17 -3.04 -0.03 0.00 2.84 0.00 0.00 34.83 34.43 1aua s MET 177 CO -0.07 0.14 0.10 0.34 -0.65 0.00 0.00 175.02 174.88 1aua s ASP 178 N 0.66 5.39 0.00 1.11 2.15 -0.07 -1.08 116.67 124.82 1aua s ASP 178 Ca -0.00 -0.14 0.23 0.00 0.43 0.00 0.00 52.55 53.06 1aua s ASP 178 Cb -0.14 -1.98 0.53 0.00 -0.30 0.00 0.00 42.92 41.04 1aua s ASP 178 CO 0.02 -0.03 1.47 0.18 -0.17 0.00 0.00 175.17 176.64 1aua n LEU 179 N 4.89 3.56 -4.57 -1.34 4.77 -0.80 -0.60 117.00 122.92 1aua n LEU 179 Ca -0.16 -1.66 -0.45 0.00 -0.03 0.00 0.00 56.01 53.72 1aua n LEU 179 Cb 0.52 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1aua n LEU 179 CO 0.32 0.83 1.82 1.17 -1.33 0.00 0.00 177.39 180.20 1aua n LYS 180 N 1.50 1.80 0.00 3.23 3.00 -1.25 -1.53 118.16 124.90 1aua n LYS 180 Ca 0.21 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 1aua n LYS 180 Cb 0.59 -3.03 0.00 0.00 0.00 0.00 0.00 35.03 32.59 1aua n LYS 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aua n GLY 181 N 5.86 0.77 3.78 3.14 0.00 -1.26 -3.87 105.19 113.62 1aua n GLY 181 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 1aua n GLY 181 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aua s ILE 182 N -2.00 3.48 0.14 -0.61 -4.36 -0.58 -4.73 121.20 112.53 1aua s ILE 182 Ca 0.00 0.75 -0.01 0.00 -0.26 0.00 0.00 60.65 61.13 1aua s ILE 182 Cb 0.00 -3.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 1aua s ILE 182 CO 0.00 -0.37 0.05 -0.94 0.24 0.00 0.00 174.94 173.92 1aua s SER 183 N -2.48 0.44 0.24 4.36 1.04 -1.26 -5.04 113.70 111.00 1aua s SER 183 Ca 0.67 -1.21 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 1aua s SER 183 Cb -0.19 0.27 0.25 0.00 0.10 0.00 0.00 66.02 66.45 1aua s SER 183 CO 0.36 -0.71 1.76 0.40 0.98 0.00 0.00 173.24 176.03 1aua h ILE 184 N 2.83 1.25 0.44 -1.02 2.04 -1.98 -0.94 117.51 120.13 1aua h ILE 184 Ca -0.35 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1aua h ILE 184 Cb 1.20 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1aua h ILE 184 CO 0.59 0.35 -0.34 -1.28 0.00 0.00 0.00 178.15 177.47 1aua h SER 185 N 0.92 -0.91 0.41 1.72 0.87 -1.99 -1.01 113.55 113.55 1aua h SER 185 Ca 0.19 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1aua h SER 185 Cb 0.37 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1aua h SER 185 CO 0.01 -0.49 -0.21 0.77 -0.53 0.00 0.00 176.83 176.37 1aua h SER 186 N -0.76 0.00 -0.66 6.23 4.64 -1.96 -1.20 113.55 119.84 1aua h SER 186 Ca -0.06 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1aua h SER 186 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 1aua h SER 186 CO 0.01 0.21 0.20 0.00 -0.87 0.00 0.00 176.83 176.39 1aua h ALA 187 N 1.79 0.86 -0.11 5.18 0.00 -0.89 -2.03 119.26 124.06 1aua h ALA 187 Ca -0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1aua h ALA 187 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1aua h ALA 187 CO 0.03 0.55 -0.57 1.88 0.00 0.00 0.00 179.25 181.14 1aua h TYR 188 N 0.96 0.42 0.00 0.00 0.05 -0.34 -2.78 116.97 115.29 1aua h TYR 188 Ca 0.21 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1aua h TYR 188 Cb 0.31 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 1aua h TYR 188 CO 0.02 0.82 -0.00 0.66 -1.05 0.00 0.00 178.16 178.61 1aua h SER 189 N 0.25 0.00 -0.00 3.88 4.64 -0.74 -3.23 113.55 118.35 1aua h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aua h SER 189 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1aua h SER 189 CO 0.09 0.00 -0.52 1.33 -0.87 0.00 0.00 176.83 176.87 1aua n VAL 190 N -3.10 0.00 -0.33 0.95 0.24 -0.81 -4.71 118.33 110.58 1aua n VAL 190 Ca 0.00 -0.24 0.19 0.00 -2.04 0.00 0.00 64.34 62.25 1aua n VAL 190 Cb 0.29 1.08 0.40 0.00 -1.47 0.00 0.00 33.84 34.14 1aua n VAL 190 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1aua h MET 191 N 0.78 0.40 -0.35 7.34 2.07 -1.51 -1.07 114.93 122.59 1aua h MET 191 Ca 0.00 -0.02 -0.07 0.00 -2.07 0.00 0.00 59.70 57.53 1aua h MET 191 Cb 0.42 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.05 1aua h MET 191 CO 0.00 0.27 -0.07 1.03 1.07 0.00 0.00 176.91 179.20 1aua h SER 192 N 0.41 0.67 -0.32 1.22 0.87 -1.84 0.98 113.55 115.54 1aua h SER 192 Ca 0.66 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1aua h SER 192 Cb 1.36 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1aua h SER 192 CO -0.55 0.87 -0.02 0.22 -0.53 0.00 0.00 176.83 176.82 1aua h TYR 193 N 0.46 0.64 -0.59 2.24 3.20 -1.66 -0.45 116.97 120.82 1aua h TYR 193 Ca 0.09 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1aua h TYR 193 Cb 0.57 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1aua h TYR 193 CO 0.05 0.72 0.16 0.28 -1.64 0.00 0.00 178.16 177.73 1aua h VAL 194 N 0.38 1.25 -0.40 1.81 2.07 -1.20 0.17 116.25 120.33 1aua h VAL 194 Ca 0.09 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1aua h VAL 194 Cb 0.48 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1aua h VAL 194 CO 0.02 0.33 -0.20 -0.09 0.02 0.00 0.00 177.57 177.65 1aua h ARG 195 N 0.84 0.76 -0.18 1.57 2.43 -0.73 -0.32 114.38 118.75 1aua h ARG 195 Ca 0.19 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1aua h ARG 195 Cb 0.33 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1aua h ARG 195 CO -0.00 0.90 -0.31 0.93 -1.51 0.00 0.00 179.97 179.98 1aua h GLU 196 N 0.67 0.53 -0.51 0.20 4.39 -0.84 -2.39 114.58 116.62 1aua h GLU 196 Ca 0.10 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 1aua h GLU 196 Cb 0.70 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1aua h GLU 196 CO 0.05 0.93 0.10 0.00 -1.16 0.00 0.00 179.01 178.93 1aua h ALA 197 N 0.59 1.21 -0.52 3.43 0.00 -0.58 -1.92 119.26 121.47 1aua h ALA 197 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1aua h ALA 197 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1aua h ALA 197 CO 0.07 0.54 -0.01 0.77 0.00 0.00 0.00 179.25 180.62 1aua h SER 198 N 0.76 0.85 -0.22 0.00 0.02 -1.02 -2.62 113.55 111.32 1aua h SER 198 Ca 0.16 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1aua h SER 198 Cb 0.33 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1aua h SER 198 CO 0.00 0.92 0.07 0.22 -1.14 0.00 0.00 176.83 176.91 1aua h TYR 199 N 0.81 0.36 -1.00 3.45 3.20 -0.88 -2.94 116.97 119.97 1aua h TYR 199 Ca 0.15 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1aua h TYR 199 Cb 0.50 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1aua h TYR 199 CO 0.03 0.42 0.66 0.82 -1.64 0.00 0.00 178.16 178.45 1aua h ILE 200 N 0.19 1.24 0.00 1.81 2.04 -1.21 -3.21 117.51 118.38 1aua h ILE 200 Ca 0.07 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1aua h ILE 200 Cb 0.23 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1aua h ILE 200 CO -0.00 0.24 -0.00 0.77 0.00 0.00 0.00 178.15 179.16 1aua h SER 201 N 1.34 -0.00 0.00 1.72 4.64 -1.45 -2.13 113.55 117.67 1aua h SER 201 Ca 0.37 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1aua h SER 201 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1aua h SER 201 CO -0.09 0.80 0.00 0.00 -0.87 0.00 0.00 176.83 176.67 1aua n GLN 202 N -4.68 0.78 0.00 4.77 10.64 -1.12 0.41 117.38 128.19 1aua n GLN 202 Ca -0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 1aua n GLN 202 Cb 0.29 -1.19 0.00 0.00 -0.86 0.00 0.00 30.24 28.48 1aua n GLN 202 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1aua n ASN 203 N -0.20 2.03 -0.28 2.61 3.02 -1.21 -4.66 115.26 116.56 1aua n ASN 203 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.60 1aua n ASN 203 Cb 0.09 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1aua n ASN 203 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1aua n TYR 204 N -2.34 0.00 -2.73 3.10 4.01 -0.80 -4.66 117.16 113.73 1aua n TYR 204 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1aua n TYR 204 Cb 0.34 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.42 1aua n TYR 204 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1aua n TYR 205 N -0.04 -0.11 -1.90 -0.72 4.01 0.17 -4.98 117.16 113.59 1aua n TYR 205 Ca 0.05 -2.65 -0.33 0.00 -0.16 0.00 0.00 57.90 54.81 1aua n TYR 205 Cb 0.23 0.24 0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1aua n TYR 205 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1aua s PRO 206 N -2.00 3.00 -1.85 -0.72 0.04 -0.93 -3.34 135.00 129.19 1aua s PRO 206 Ca 0.27 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1aua s PRO 206 Cb 0.42 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1aua s PRO 206 CO -0.01 -1.09 0.00 0.39 0.04 0.00 0.00 177.00 176.33 1aua n GLU 207 N -2.17 -1.51 0.00 4.56 -0.58 -1.26 -4.83 120.64 114.85 1aua n GLU 207 Ca 0.10 1.11 0.12 0.00 -0.42 0.00 0.00 57.16 58.08 1aua n GLU 207 Cb 0.52 -5.50 0.27 0.00 -0.57 0.00 0.00 31.44 26.16 1aua n GLU 207 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1aua n ARG 208 N -1.90 0.17 -3.49 3.49 5.12 -1.21 -4.57 116.66 114.27 1aua n ARG 208 Ca -0.17 -0.10 -0.38 0.00 -1.93 0.00 0.00 57.85 55.27 1aua n ARG 208 Cb 0.65 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.36 1aua n ARG 208 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1aua s MET 209 N -2.90 4.05 -0.18 5.56 1.75 -1.26 -1.42 119.30 124.90 1aua s MET 209 Ca 0.14 -0.06 0.03 0.00 -1.25 0.00 0.00 55.69 54.54 1aua s MET 209 Cb 0.18 -3.60 -0.13 0.00 2.84 0.00 0.00 34.83 34.12 1aua s MET 209 CO 0.66 -0.13 -0.14 0.41 -0.65 0.00 0.00 175.02 175.18 1aua n GLY 210 N 4.49 -0.32 3.09 2.11 0.00 -0.98 -4.88 105.19 108.70 1aua n GLY 210 Ca -0.11 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1aua n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aua s LYS 211 N -2.37 0.32 -0.09 1.61 -0.14 -1.22 -4.68 119.74 113.16 1aua s LYS 211 Ca -0.23 0.06 -0.02 0.00 -1.36 0.00 0.00 55.97 54.42 1aua s LYS 211 Cb 0.06 0.15 0.04 0.00 -1.68 0.00 0.00 37.83 36.39 1aua s LYS 211 CO 0.46 -0.06 0.02 0.12 -0.76 0.00 0.00 175.35 175.13 1aua s PHE 212 N -0.38 0.57 -0.13 3.18 5.36 0.14 -2.17 117.98 124.56 1aua s PHE 212 Ca -0.05 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 55.73 1aua s PHE 212 Cb -0.03 -0.77 -0.00 0.00 -0.34 0.00 0.00 43.02 41.87 1aua s PHE 212 CO 0.01 -0.36 -0.18 0.71 -1.46 0.00 0.00 175.22 173.93 1aua s TYR 213 N 2.01 2.70 -0.24 10.12 1.51 -0.46 -0.36 117.35 132.63 1aua s TYR 213 Ca 0.04 -0.96 -0.02 0.00 -1.01 0.00 0.00 57.07 55.12 1aua s TYR 213 Cb -0.13 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 1aua s TYR 213 CO -0.06 -0.39 -0.06 0.42 -1.11 0.00 0.00 175.55 174.35 1aua s ILE 214 N 0.52 2.97 0.19 2.71 1.01 -0.00 -0.57 121.20 128.03 1aua s ILE 214 Ca -0.12 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.67 1aua s ILE 214 Cb -0.16 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1aua s ILE 214 CO 0.04 0.23 0.07 0.27 0.00 0.00 0.00 174.94 175.56 1aua s ILE 215 N 1.35 4.04 -1.43 2.92 -4.36 -0.24 -1.54 121.20 121.94 1aua s ILE 215 Ca 0.01 -1.36 -0.10 0.00 -0.26 0.00 0.00 60.65 58.95 1aua s ILE 215 Cb -0.16 -3.08 0.03 0.00 1.25 0.00 0.00 42.46 40.50 1aua s ILE 215 CO -0.04 -0.17 1.05 0.59 0.24 0.00 0.00 174.94 176.60 1aua n ASN 216 N -0.42 -5.91 -4.74 4.36 3.02 -0.50 -1.91 115.26 109.17 1aua n ASN 216 Ca -0.09 -0.57 -0.41 0.00 -0.03 0.00 0.00 54.58 53.49 1aua n ASN 216 Cb 0.56 -4.68 -0.04 0.00 -0.61 0.00 0.00 39.78 35.01 1aua n ASN 216 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aua s ALA 217 N -3.29 3.36 0.70 5.41 0.00 -1.09 -3.83 121.76 123.03 1aua s ALA 217 Ca 0.57 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1aua s ALA 217 Cb -0.26 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.56 1aua s ALA 217 CO 0.70 -0.14 1.16 -1.25 0.00 0.00 0.00 175.76 176.24 1aua s PRO 218 N -0.51 2.39 0.15 0.00 0.04 -1.26 -4.66 135.00 131.16 1aua s PRO 218 Ca 0.48 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1aua s PRO 218 Cb -0.29 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1aua s PRO 218 CO 0.35 -1.61 1.57 0.35 0.04 0.00 0.00 177.00 177.70 1aua h PHE 219 N -0.20 -1.34 -0.90 0.56 3.57 -1.98 0.14 116.94 116.79 1aua h PHE 219 Ca -0.47 0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.19 1aua h PHE 219 Cb 1.27 0.65 -0.07 0.00 2.79 0.00 0.00 35.95 40.59 1aua h PHE 219 CO 0.50 -0.44 0.55 0.78 -2.23 0.00 0.00 178.31 177.47 1aua h GLY 220 N -0.31 1.41 0.72 2.40 0.00 -1.99 0.82 103.07 106.13 1aua h GLY 220 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1aua h GLY 220 CO -0.62 0.20 0.00 -2.75 0.00 0.00 0.00 176.54 173.38 1aua h PHE 221 N 0.95 0.10 -0.50 5.60 3.57 -1.76 -2.45 116.94 122.45 1aua h PHE 221 Ca 0.42 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 1aua h PHE 221 Cb 0.32 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1aua h PHE 221 CO -0.03 0.37 0.19 1.03 -2.23 0.00 0.00 178.31 177.64 1aua h SER 222 N -0.20 0.66 -0.37 0.41 0.87 -0.61 -3.01 113.55 111.30 1aua h SER 222 Ca 0.01 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 1aua h SER 222 Cb 0.33 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1aua h SER 222 CO 0.00 0.61 -0.02 0.74 -0.53 0.00 0.00 176.83 177.63 1aua h THR 223 N 0.72 1.26 -0.96 2.23 2.02 -0.75 -2.92 112.91 114.51 1aua h THR 223 Ca 0.17 -1.03 0.09 0.00 0.77 0.00 0.00 66.41 66.41 1aua h THR 223 Cb 0.16 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.69 1aua h THR 223 CO -0.01 0.34 0.60 0.00 0.37 0.00 0.00 175.52 176.82 1aua h ALA 224 N 0.86 1.38 -0.63 6.16 0.00 -1.30 -1.20 119.26 124.53 1aua h ALA 224 Ca 0.10 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1aua h ALA 224 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1aua h ALA 224 CO 0.02 0.28 0.05 0.35 0.00 0.00 0.00 179.25 179.95 1aua h PHE 225 N 1.01 1.16 0.00 0.00 3.57 -1.51 -2.16 116.94 119.01 1aua h PHE 225 Ca 0.45 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1aua h PHE 225 Cb 0.33 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1aua h PHE 225 CO -0.02 1.00 0.00 0.00 -2.23 0.00 0.00 178.31 177.06 1aua h ARG 226 N 1.00 0.00 0.00 1.11 3.08 -1.04 -1.69 114.38 116.84 1aua h ARG 226 Ca 0.19 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.05 1aua h ARG 226 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1aua h ARG 226 CO 0.02 0.00 -2.12 1.28 -1.07 0.00 0.00 179.97 178.08 1aua n LEU 227 N -2.48 0.08 -0.31 3.04 4.77 -0.97 -4.33 117.00 116.80 1aua n LEU 227 Ca 0.00 0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 1aua n LEU 227 Cb 0.17 0.23 0.19 0.00 -2.33 0.00 0.00 43.42 41.68 1aua n LEU 227 CO 0.18 0.24 0.46 0.49 -1.33 0.00 0.00 177.39 177.42 1aua n PHE 228 N -2.54 0.00 -0.13 -1.77 3.72 -0.85 -4.52 117.46 111.37 1aua n PHE 228 Ca -0.18 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.16 1aua n PHE 228 Cb 0.86 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 1aua n PHE 228 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1aua h LYS 229 N 1.52 -0.18 0.00 -1.08 1.79 -1.51 -1.38 116.57 115.73 1aua h LYS 229 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1aua h LYS 229 Cb 0.60 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1aua h LYS 229 CO 0.00 -0.12 0.00 -0.35 -1.08 0.00 0.00 179.45 177.90 1aua n PRO 230 N -5.41 0.14 -0.00 3.15 -0.04 -1.26 -2.72 135.00 128.85 1aua n PRO 230 Ca 0.02 0.19 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 1aua n PRO 230 Cb 0.32 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 1aua n PRO 230 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1aua n PHE 231 N -1.29 0.00 -3.08 0.54 3.72 -0.55 -4.97 117.46 111.83 1aua n PHE 231 Ca 0.05 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.08 1aua n PHE 231 Cb 0.08 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1aua n PHE 231 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1aua s LEU 232 N -2.93 4.36 0.44 4.37 1.43 -1.01 -5.02 118.68 120.32 1aua s LEU 232 Ca 0.02 1.45 -0.26 0.00 -1.03 0.00 0.00 54.13 54.31 1aua s LEU 232 Cb 0.08 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 1aua s LEU 232 CO 0.49 0.04 1.44 1.51 0.23 0.00 0.00 176.35 180.06 1aua s ASP 233 N -1.61 5.91 0.63 2.29 -4.77 -1.26 -4.83 116.67 113.04 1aua s ASP 233 Ca 0.43 2.95 0.36 0.00 -3.30 0.00 0.00 52.55 52.99 1aua s ASP 233 Cb -0.17 -2.66 1.98 0.00 -1.09 0.00 0.00 42.92 40.98 1aua s ASP 233 CO 0.21 -1.15 2.11 1.55 0.70 0.00 0.00 175.17 178.59 1aua h PRO 234 N 2.39 0.00 -0.00 2.11 0.13 -1.95 -0.94 132.00 133.74 1aua h PRO 234 Ca -0.51 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.47 1aua h PRO 234 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1aua h PRO 234 CO 0.61 0.00 -0.71 0.28 -0.23 0.00 0.00 178.00 177.96 1aua h VAL 235 N 0.00 1.50 0.00 1.56 2.07 -2.01 -3.13 116.25 116.24 1aua h VAL 235 Ca 0.00 -2.40 -0.18 0.00 0.82 0.00 0.00 66.70 64.94 1aua h VAL 235 Cb 0.28 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1aua h VAL 235 CO 0.00 0.69 -1.50 0.41 0.02 0.00 0.00 177.57 177.18 1aua n THR 236 N -3.71 1.21 0.68 2.57 -1.04 -0.38 -3.86 114.28 109.74 1aua n THR 236 Ca -0.01 -0.70 0.13 0.00 -2.04 0.00 0.00 64.05 61.42 1aua n THR 236 Cb 0.69 -0.74 0.47 0.00 -1.82 0.00 0.00 70.33 68.93 1aua n THR 236 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1aua n VAL 237 N -2.88 0.50 0.32 12.58 0.24 -1.05 -1.69 118.33 126.35 1aua n VAL 237 Ca -0.11 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.20 1aua n VAL 237 Cb 0.87 -0.67 0.21 0.00 -1.47 0.00 0.00 33.84 32.77 1aua n VAL 237 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1aua h SER 238 N 0.00 0.00 0.00 -1.34 4.64 -1.65 -3.36 113.55 111.84 1aua h SER 238 Ca 0.00 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 1aua h SER 238 Cb 0.59 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1aua h SER 238 CO 0.00 0.00 -1.86 0.29 -0.87 0.00 0.00 176.83 174.39 1aua n LYS 239 N -2.84 1.33 -3.49 4.77 5.02 -1.09 -4.97 118.16 116.90 1aua n LYS 239 Ca 0.04 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 1aua n LYS 239 Cb 0.51 -1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 1aua n LYS 239 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1aua s ILE 240 N -2.30 5.28 -0.11 -0.18 -1.09 -0.68 0.26 121.20 122.38 1aua s ILE 240 Ca -0.12 0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 58.92 1aua s ILE 240 Cb 0.04 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 1aua s ILE 240 CO 0.44 0.38 -0.08 -0.36 -1.23 0.00 0.00 174.94 174.09 1aua s PHE 241 N 0.49 1.49 -0.30 3.97 0.40 0.52 -4.79 117.98 119.76 1aua s PHE 241 Ca 0.18 -0.74 -0.02 0.00 -0.60 0.00 0.00 56.93 55.75 1aua s PHE 241 Cb -0.13 -1.24 0.05 0.00 0.51 0.00 0.00 43.02 42.21 1aua s PHE 241 CO 0.05 -0.51 0.00 0.42 0.70 0.00 0.00 175.22 175.88 1aua s ILE 242 N 1.68 2.96 0.20 0.64 -1.09 -1.26 -0.82 121.20 123.51 1aua s ILE 242 Ca 0.04 -1.42 0.09 0.00 -2.23 0.00 0.00 60.65 57.13 1aua s ILE 242 Cb -0.13 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.99 1aua s ILE 242 CO -0.08 -0.13 -0.16 -0.76 -1.23 0.00 0.00 174.94 172.58 1aua s LEU 243 N 1.24 2.52 0.00 2.97 1.43 -0.59 -5.01 118.68 121.24 1aua s LEU 243 Ca -0.05 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1aua s LEU 243 Cb -0.20 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.24 1aua s LEU 243 CO -0.01 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1aua n GLY 244 N -0.17 1.17 0.20 -3.19 0.00 -1.26 -2.68 105.19 99.25 1aua n GLY 244 Ca -0.09 -1.25 0.14 0.00 0.00 0.00 0.00 46.02 44.81 1aua n GLY 244 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aua h SER 245 N 0.00 0.00 -3.69 1.61 4.64 -1.92 -1.33 113.55 112.86 1aua h SER 245 Ca 0.00 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.54 1aua h SER 245 Cb 0.00 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 61.83 1aua h SER 245 CO 0.00 0.00 -0.00 -0.55 -0.87 0.00 0.00 176.83 175.41 1aua s SER 246 N -5.39 6.53 0.00 4.97 0.15 -1.26 -4.79 113.70 113.92 1aua s SER 246 Ca 0.06 -2.51 0.00 0.00 0.70 0.00 0.00 55.95 54.20 1aua s SER 246 Cb 0.08 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1aua s SER 246 CO 0.57 -0.62 0.00 0.00 1.20 0.00 0.00 173.24 174.40 1aua n TYR 247 N 4.21 0.00 -0.16 3.44 0.18 -1.26 -4.86 117.16 118.71 1aua n TYR 247 Ca 0.08 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.78 1aua n TYR 247 Cb 0.45 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.39 1aua n TYR 247 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 1aua h GLN 248 N 0.00 -0.22 -0.95 -3.48 7.50 -1.87 -1.00 115.11 115.09 1aua h GLN 248 Ca 0.00 0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.30 1aua h GLN 248 Cb 0.00 0.05 -0.09 0.00 0.05 0.00 0.00 27.48 27.49 1aua h GLN 248 CO 0.00 -0.15 0.57 0.87 -1.50 0.00 0.00 178.83 178.62 1aua h LYS 249 N -0.23 0.83 -0.18 1.46 1.57 -1.94 0.14 116.57 118.21 1aua h LYS 249 Ca 0.19 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1aua h LYS 249 Cb 0.55 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1aua h LYS 249 CO -0.60 0.55 -0.13 0.93 -0.57 0.00 0.00 179.45 179.62 1aua h GLU 250 N 0.85 0.41 0.01 3.15 4.39 -1.71 -2.77 114.58 118.93 1aua h GLU 250 Ca 0.49 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1aua h GLU 250 Cb 0.59 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1aua h GLU 250 CO -0.31 0.75 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.21 1aua h LEU 251 N 0.09 -0.02 -1.29 1.33 4.07 -0.64 -2.48 115.31 116.36 1aua h LEU 251 Ca 0.04 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1aua h LEU 251 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1aua h LEU 251 CO 0.04 0.18 0.00 0.18 -1.08 0.00 0.00 178.44 177.76 1aua n LEU 252 N -5.01 0.50 0.06 1.67 4.77 0.44 0.13 117.00 119.56 1aua n LEU 252 Ca -0.08 0.74 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 1aua n LEU 252 Cb 0.12 -0.80 0.27 0.00 -2.33 0.00 0.00 43.42 40.68 1aua n LEU 252 CO 0.33 -0.91 0.53 1.17 -1.33 0.00 0.00 177.39 177.19 1aua n LYS 253 N -2.18 0.22 -0.01 3.23 4.81 -0.94 -4.23 118.16 119.06 1aua n LYS 253 Ca -0.01 0.09 -0.01 0.00 -0.87 0.00 0.00 58.31 57.51 1aua n LYS 253 Cb 0.03 -1.67 -0.02 0.00 0.02 0.00 0.00 35.03 33.39 1aua n LYS 253 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1aua n GLN 254 N -2.00 3.17 -4.83 1.64 -0.06 0.12 -4.99 117.38 110.42 1aua n GLN 254 Ca 0.04 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.72 1aua n GLN 254 Cb 0.41 -1.06 -0.16 0.00 -4.06 0.00 0.00 30.24 25.38 1aua n GLN 254 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1aua s ILE 255 N -2.05 2.50 0.00 1.69 1.01 0.32 -0.27 121.20 124.40 1aua s ILE 255 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1aua s ILE 255 Cb 0.01 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1aua s ILE 255 CO 0.09 0.54 0.00 -2.65 0.00 0.00 0.00 174.94 172.91 1aua n PRO 256 N 3.74 0.00 0.00 2.79 -0.02 -1.26 -4.24 135.00 136.01 1aua n PRO 256 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1aua n PRO 256 Cb 0.52 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1aua n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aua n ALA 257 N -0.89 0.00 1.15 3.55 0.00 -1.26 -4.82 120.51 118.24 1aua n ALA 257 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1aua n ALA 257 Cb 0.00 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.05 1aua n ALA 257 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1aua n GLU 258 N 0.00 0.18 -0.06 0.00 0.00 -1.26 0.20 120.64 119.70 1aua n GLU 258 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 57.16 57.11 1aua n GLU 258 Cb 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 29.79 1aua n GLU 258 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1aua n ASN 259 N -1.38 0.32 -4.70 -1.84 5.03 -1.26 -4.12 115.26 107.31 1aua n ASN 259 Ca 0.09 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.15 1aua n ASN 259 Cb 0.31 1.34 -0.05 0.00 -1.02 0.00 0.00 39.78 40.36 1aua n ASN 259 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1aua s LEU 260 N -5.01 4.26 0.38 3.41 2.96 -1.22 -4.73 118.68 118.72 1aua s LEU 260 Ca -0.09 1.01 -0.26 0.00 -0.22 0.00 0.00 54.13 54.58 1aua s LEU 260 Cb 0.09 -2.95 -0.12 0.00 0.50 0.00 0.00 46.19 43.71 1aua s LEU 260 CO 0.81 -0.14 1.01 -2.65 -1.32 0.00 0.00 176.35 174.06 1aua n PRO 261 N 4.15 1.39 -0.28 0.98 -0.02 -1.26 -1.84 135.00 138.13 1aua n PRO 261 Ca -0.02 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 1aua n PRO 261 Cb 0.51 -1.99 0.42 0.00 -0.02 0.00 0.00 33.50 32.42 1aua n PRO 261 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1aua h VAL 262 N 1.73 0.74 0.00 -1.45 -1.51 -1.58 -0.82 116.25 113.36 1aua h VAL 262 Ca -0.43 -0.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1aua h VAL 262 Cb 1.34 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1aua h VAL 262 CO 0.58 0.11 -0.02 0.07 -1.23 0.00 0.00 177.57 177.08 1aua h LYS 263 N 0.59 0.00 -0.56 5.19 2.10 -1.88 -1.63 116.57 120.38 1aua h LYS 263 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1aua h LYS 263 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1aua h LYS 263 CO -0.23 0.02 0.00 1.19 -2.00 0.00 0.00 179.45 178.43 1aua n PHE 264 N -3.35 1.18 -0.20 0.07 3.72 -0.35 -4.92 117.46 113.61 1aua n PHE 264 Ca -0.02 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 1aua n PHE 264 Cb 0.13 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1aua n PHE 264 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aua n GLY 265 N 0.86 0.95 0.00 1.37 0.00 -0.61 -4.62 105.19 103.15 1aua n GLY 265 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1aua n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aua n GLY 266 N -2.09 6.54 0.10 -0.02 0.00 -0.99 -4.98 105.19 103.75 1aua n GLY 266 Ca 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 46.02 43.99 1aua n GLY 266 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aua n LYS 267 N -0.02 2.68 -2.30 1.61 5.02 0.13 -3.86 118.16 121.42 1aua n LYS 267 Ca 0.00 -0.39 -0.43 0.00 -2.02 0.00 0.00 58.31 55.47 1aua n LYS 267 Cb 0.00 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 1aua n LYS 267 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1aua s SER 268 N -0.92 6.66 -0.09 4.39 0.15 -0.76 -4.78 113.70 118.35 1aua s SER 268 Ca 0.04 1.52 0.04 0.00 0.70 0.00 0.00 55.95 58.25 1aua s SER 268 Cb 0.04 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1aua s SER 268 CO 0.12 -1.04 -0.23 -1.61 1.20 0.00 0.00 173.24 171.68 1aua s GLU 269 N 4.13 2.87 -0.12 5.44 2.02 -1.26 -2.38 118.70 129.41 1aua s GLU 269 Ca 0.61 -0.85 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 1aua s GLU 269 Cb -0.21 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 1aua s GLU 269 CO 0.23 0.20 0.09 0.14 0.02 0.00 0.00 175.26 175.95 1aua s VAL 270 N 0.28 5.09 0.04 2.63 -7.23 -1.26 -5.05 120.40 114.91 1aua s VAL 270 Ca -0.16 0.06 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 1aua s VAL 270 Cb -0.17 -3.21 -0.10 0.00 0.56 0.00 0.00 36.38 33.46 1aua s VAL 270 CO 0.08 0.59 1.94 -0.67 -0.31 0.00 0.00 175.10 176.73 1aua n ASP 271 N 2.28 4.08 0.14 4.85 2.03 -1.26 -4.71 116.55 123.97 1aua n ASP 271 Ca -0.19 0.93 0.12 0.00 0.52 0.00 0.00 54.79 56.17 1aua n ASP 271 Cb 0.54 -1.52 0.50 0.00 -0.72 0.00 0.00 41.12 39.93 1aua n ASP 271 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1aua n GLU 272 N 7.08 0.20 -0.21 -0.67 4.07 -1.26 -2.80 120.64 127.06 1aua n GLU 272 Ca 0.20 0.44 0.03 0.00 -0.06 0.00 0.00 57.16 57.76 1aua n GLU 272 Cb 0.39 -1.89 0.11 0.00 -0.06 0.00 0.00 31.44 29.99 1aua n GLU 272 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1aua n SER 273 N -2.28 1.91 -2.06 4.31 3.41 -1.26 -3.81 113.62 113.85 1aua n SER 273 Ca 0.02 -2.16 -0.03 0.00 -0.26 0.00 0.00 58.87 56.44 1aua n SER 273 Cb 0.23 -0.38 0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1aua n SER 273 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1aua n LYS 274 N 0.18 0.86 -1.86 4.33 2.85 -1.12 -5.06 118.16 118.34 1aua n LYS 274 Ca 0.08 -1.42 -0.01 0.00 -1.05 0.00 0.00 58.31 55.91 1aua n LYS 274 Cb 0.39 0.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 1aua n LYS 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aua n GLY 275 N -0.81 -2.18 3.64 2.58 0.00 -1.25 -4.78 105.19 102.40 1aua n GLY 275 Ca -0.17 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1aua n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aua s GLY 276 N -0.91 1.46 0.00 -0.02 0.00 -1.23 -3.51 107.32 103.11 1aua s GLY 276 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1aua s GLY 276 CO 0.22 2.69 0.00 1.04 0.00 0.00 0.00 173.10 177.05 1aua n LEU 277 N 7.36 0.00 -0.27 0.66 4.77 -1.26 -4.37 117.00 123.89 1aua n LEU 277 Ca 0.15 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1aua n LEU 277 Cb 0.45 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.75 1aua n LEU 277 CO 0.61 0.00 1.05 1.88 -1.33 0.00 0.00 177.39 179.60 1aua h TYR 278 N 0.00 0.62 -0.54 -1.77 -1.99 -1.93 -1.85 116.97 109.51 1aua h TYR 278 Ca 0.00 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1aua h TYR 278 Cb 0.00 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.58 1aua h TYR 278 CO 0.00 0.10 0.00 1.28 -0.00 0.00 0.00 178.16 179.54 1aua n LEU 279 N -4.95 4.40 -4.85 3.88 4.77 -1.26 -4.77 117.00 114.22 1aua n LEU 279 Ca 0.16 -2.48 -0.21 0.00 -0.03 0.00 0.00 56.01 53.44 1aua n LEU 279 Cb 0.43 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1aua n LEU 279 CO 0.19 0.78 -0.11 -0.94 -1.33 0.00 0.00 177.39 175.98 1aua s SER 280 N -1.08 5.46 -0.43 -1.43 1.04 -0.70 -4.89 113.70 111.67 1aua s SER 280 Ca 0.46 -0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1aua s SER 280 Cb 0.30 -1.21 0.30 0.00 0.10 0.00 0.00 66.02 65.52 1aua s SER 280 CO 0.21 -0.21 0.88 -0.67 0.98 0.00 0.00 173.24 174.43 1aua n ASP 281 N -1.30 -1.16 -4.77 7.02 2.03 -1.26 -4.49 116.55 112.61 1aua n ASP 281 Ca -0.05 -3.28 -0.36 0.00 0.52 0.00 0.00 54.79 51.62 1aua n ASP 281 Cb 0.59 0.80 -0.08 0.00 -0.72 0.00 0.00 41.12 41.71 1aua n ASP 281 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1aua s ILE 282 N -0.65 4.89 -1.84 5.18 -0.00 -1.26 -4.83 121.20 122.69 1aua s ILE 282 Ca 0.31 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.93 1aua s ILE 282 Cb 0.28 -3.10 0.00 0.00 -0.00 0.00 0.00 42.46 39.64 1aua s ILE 282 CO -0.10 0.61 0.00 0.61 -0.00 0.00 0.00 174.94 176.05 1aua n GLY 283 N 2.10 -1.41 0.45 6.27 0.00 -1.26 -0.56 105.19 110.78 1aua n GLY 283 Ca -0.19 -1.00 0.25 0.00 0.00 0.00 0.00 46.02 45.08 1aua n GLY 283 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1aua h PRO 284 N 0.00 0.00 0.00 1.61 0.11 -1.93 -0.25 132.00 131.54 1aua h PRO 284 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1aua h PRO 284 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1aua h PRO 284 CO 0.00 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.12 1aua n TRP 285 N -3.74 0.00 0.07 0.65 2.14 -1.26 -2.10 117.44 113.21 1aua n TRP 285 Ca 0.15 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.75 1aua n TRP 285 Cb 0.95 -0.21 0.06 0.00 -0.81 0.00 0.00 31.31 31.30 1aua n TRP 285 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1aua n ARG 286 N -1.21 1.54 -3.33 -2.67 5.12 -0.10 -4.59 116.66 111.43 1aua n ARG 286 Ca 0.11 -1.41 -0.41 0.00 -1.93 0.00 0.00 57.85 54.22 1aua n ARG 286 Cb 0.14 -1.15 -0.09 0.00 -1.16 0.00 0.00 32.46 30.21 1aua n ARG 286 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1aua s ASP 287 N -0.80 6.26 0.56 0.55 -1.08 -0.89 -4.97 116.67 116.30 1aua s ASP 287 Ca 0.11 -0.02 0.33 0.00 -0.52 0.00 0.00 52.55 52.46 1aua s ASP 287 Cb 0.07 -2.23 1.47 0.00 -1.46 0.00 0.00 42.92 40.76 1aua s ASP 287 CO 0.09 -0.37 1.79 -0.65 0.52 0.00 0.00 175.17 176.55 1aua h PRO 288 N 8.39 0.00 -0.00 4.34 0.11 -1.93 0.27 132.00 143.18 1aua h PRO 288 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1aua h PRO 288 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1aua h PRO 288 CO 0.72 0.00 -0.02 0.36 -0.21 0.00 0.00 178.00 178.85 1aua n LYS 289 N -3.97 1.06 -0.03 1.05 2.85 -1.26 -3.58 118.16 114.28 1aua n LYS 289 Ca 0.20 -0.26 0.01 0.00 -1.05 0.00 0.00 58.31 57.21 1aua n LYS 289 Cb 1.10 -1.49 0.02 0.00 -0.65 0.00 0.00 35.03 34.01 1aua n LYS 289 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1aua n TYR 290 N -0.74 0.00 -3.73 5.58 4.01 0.08 -5.01 117.16 117.36 1aua n TYR 290 Ca 0.21 -0.48 -0.36 0.00 -0.16 0.00 0.00 57.90 57.11 1aua n TYR 290 Cb 0.20 -0.06 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 1aua n TYR 290 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1aua s ILE 291 N -1.08 5.20 0.00 -0.72 1.01 -1.20 -4.21 121.20 120.19 1aua s ILE 291 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1aua s ILE 291 Cb 0.04 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1aua s ILE 291 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1aua n GLY 292 N 4.15 1.50 0.00 6.18 0.00 -1.26 -4.91 105.19 110.85 1aua n GLY 292 Ca -0.15 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.03 1aua n GLY 292 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aua n PRO 293 N 0.00 0.02 0.00 1.61 -0.04 -1.26 -2.12 135.00 133.21 1aua n PRO 293 Ca 0.00 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 1aua n PRO 293 Cb 0.00 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 32.56 1aua n PRO 293 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1aua n GLU 294 N -1.44 0.58 -0.47 0.54 -0.00 -1.26 -5.04 120.64 113.55 1aua n GLU 294 Ca 0.02 -0.18 0.06 0.00 -0.00 0.00 0.00 57.16 57.06 1aua n GLU 294 Cb 0.06 -1.50 -0.02 0.00 -0.00 0.00 0.00 31.44 29.99 1aua n GLU 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aua n GLY 295 N 1.31 -1.79 3.76 -1.84 0.00 -0.90 -4.82 105.19 100.90 1aua n GLY 295 Ca 0.13 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1aua n GLY 295 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aua s GLU 296 N -0.96 4.67 0.71 1.61 2.12 -1.26 -4.72 118.70 120.87 1aua s GLU 296 Ca 0.00 1.57 -0.14 0.00 0.36 0.00 0.00 54.97 56.77 1aua s GLU 296 Cb 0.00 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 31.32 1aua s GLU 296 CO 0.00 0.31 1.13 0.00 -0.54 0.00 0.00 175.26 176.16 1aua s ALA 297 N -1.29 2.30 1.03 6.30 0.00 -1.26 -5.04 121.76 123.80 1aua s ALA 297 Ca 0.45 0.58 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 1aua s ALA 297 Cb -0.26 -3.35 0.21 0.00 0.00 0.00 0.00 23.12 19.71 1aua s ALA 297 CO 0.33 -1.57 1.14 -2.14 0.00 0.00 0.00 175.76 173.52 1aua s PRO 298 N -4.21 0.13 0.00 0.00 0.02 -1.26 -5.12 135.00 124.55 1aua s PRO 298 Ca 0.68 0.13 0.02 0.00 0.02 0.00 0.00 61.00 61.84 1aua s PRO 298 Cb -0.22 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.58 1aua s PRO 298 CO 0.45 -2.85 0.55 0.39 -0.33 0.00 0.00 177.00 175.21