#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i95 n SER 7 N 0.00 2.35 -0.98 1.45 2.88 -1.26 -4.88 113.62 113.18 3i95 n SER 7 Ca 0.00 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 3i95 n SER 7 Cb 0.00 -1.36 0.15 0.00 -0.75 0.00 0.00 64.21 62.25 3i95 n SER 7 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3i95 n LEU 8 N 2.26 3.02 0.16 2.46 4.77 -1.26 -4.53 117.00 123.87 3i95 n LEU 8 Ca 0.13 -1.09 0.06 0.00 -0.03 0.00 0.00 56.01 55.09 3i95 n LEU 8 Cb 0.29 -0.06 0.55 0.00 -2.33 0.00 0.00 43.42 41.87 3i95 n LEU 8 CO 0.62 0.54 1.10 0.71 -1.33 0.00 0.00 177.39 179.04 3i95 h THR 9 N 4.52 1.05 -0.47 -5.08 1.35 -2.05 -2.20 112.91 110.03 3i95 h THR 9 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3i95 h THR 9 Cb 0.97 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3i95 h THR 9 CO 0.00 0.05 0.00 0.59 -0.25 0.00 0.00 175.52 175.91 3i95 n ASN 10 N -4.51 3.82 -4.74 5.36 3.02 -1.26 -5.00 115.26 111.95 3i95 n ASN 10 Ca -0.01 -2.34 -0.42 0.00 -0.03 0.00 0.00 54.58 51.79 3i95 n ASN 10 Cb 0.08 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 3i95 n ASN 10 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i95 s SER 11 N -1.16 6.47 0.16 6.41 0.15 -0.83 -4.93 113.70 119.97 3i95 s SER 11 Ca 0.39 2.84 0.01 0.00 0.70 0.00 0.00 55.95 59.88 3i95 s SER 11 Cb 0.25 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.91 3i95 s SER 11 CO 0.19 -0.86 1.37 -1.28 1.20 0.00 0.00 173.24 173.86 3i95 h SER 12 N 5.33 0.31 0.36 5.45 0.87 -1.94 -3.34 113.55 120.58 3i95 h SER 12 Ca -0.46 -0.25 -0.29 0.00 -1.23 0.00 0.00 61.79 59.56 3i95 h SER 12 Cb 1.22 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 63.10 3i95 h SER 12 CO 0.82 1.05 -1.25 -0.07 -0.53 0.00 0.00 176.83 176.85 3i95 h LEU 13 N 0.13 0.67 -0.71 2.23 3.38 -1.97 -3.39 115.31 115.65 3i95 h LEU 13 Ca -0.05 -0.65 0.14 0.00 0.09 0.00 0.00 57.88 57.41 3i95 h LEU 13 Cb 1.51 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.91 3i95 h LEU 13 CO 0.14 1.49 -0.18 0.24 0.09 0.00 0.00 178.44 180.21 3i95 h MET 14 N 0.18 -0.00 -0.05 1.13 2.86 -1.91 -0.11 114.93 117.02 3i95 h MET 14 Ca -0.17 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3i95 h MET 14 Cb 1.93 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.59 3i95 h MET 14 CO 0.22 -0.00 0.12 -1.35 1.06 0.00 0.00 176.91 176.96 3i95 h PRO 15 N -0.00 0.00 -0.32 -0.22 0.11 -1.78 -2.25 132.00 127.54 3i95 h PRO 15 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3i95 h PRO 15 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3i95 h PRO 15 CO -0.74 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.30 3i95 n THR 16 N -3.37 0.67 -3.46 -1.15 -2.24 -0.07 -5.00 114.28 99.66 3i95 n THR 16 Ca -0.01 -0.83 -0.30 0.00 -2.27 0.00 0.00 64.05 60.63 3i95 n THR 16 Cb 0.20 0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 3i95 n THR 16 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i95 s LEU 17 N -1.09 4.14 0.16 3.22 1.43 -0.85 -5.03 118.68 120.67 3i95 s LEU 17 Ca 0.27 0.71 -0.32 0.00 -1.03 0.00 0.00 54.13 53.76 3i95 s LEU 17 Cb 0.15 -3.49 -0.17 0.00 0.03 0.00 0.00 46.19 42.71 3i95 s LEU 17 CO 0.20 -0.10 0.91 -3.20 0.23 0.00 0.00 176.35 174.40 3i95 n ASN 18 N -0.49 0.20 -0.25 2.29 5.15 -1.26 -4.65 115.26 116.24 3i95 n ASN 18 Ca -0.02 1.15 0.11 0.00 -0.60 0.00 0.00 54.58 55.22 3i95 n ASN 18 Cb 0.53 -1.08 0.37 0.00 -0.53 0.00 0.00 39.78 39.08 3i95 n ASN 18 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i95 h PRO 19 N 2.33 0.68 -0.65 1.20 0.11 -1.96 -0.40 132.00 133.31 3i95 h PRO 19 Ca -0.39 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3i95 h PRO 19 Cb 1.39 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3i95 h PRO 19 CO 0.63 0.45 0.20 1.98 -0.21 0.00 0.00 178.00 181.06 3i95 h MET 20 N 0.70 1.01 -0.62 1.05 1.85 -1.98 -0.76 114.93 116.18 3i95 h MET 20 Ca 0.42 -0.22 -0.02 0.00 -0.61 0.00 0.00 59.70 59.27 3i95 h MET 20 Cb 0.63 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.49 3i95 h MET 20 CO -0.18 0.88 0.31 0.82 -0.40 0.00 0.00 176.91 178.34 3i95 h ILE 21 N 0.94 1.21 -0.32 1.77 2.04 -1.59 -0.90 117.51 120.66 3i95 h ILE 21 Ca 0.21 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.50 3i95 h ILE 21 Cb 0.29 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3i95 h ILE 21 CO -0.01 0.24 0.17 1.56 0.00 0.00 0.00 178.15 180.12 3i95 h GLN 22 N 0.86 0.35 -0.53 2.37 4.20 -0.79 0.45 115.11 122.02 3i95 h GLN 22 Ca 0.22 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 3i95 h GLN 22 Cb 0.10 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3i95 h GLN 22 CO -0.03 0.23 -0.05 1.96 -0.67 0.00 0.00 178.83 180.27 3i95 h GLN 23 N 0.36 0.94 -0.41 1.46 1.08 -0.94 -1.35 115.11 116.25 3i95 h GLN 23 Ca 0.13 -0.30 -0.10 0.00 -1.45 0.00 0.00 58.65 56.93 3i95 h GLN 23 Cb 0.03 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3i95 h GLN 23 CO -0.08 0.95 -0.13 1.25 -0.95 0.00 0.00 178.83 179.87 3i95 h LEU 24 N 0.85 0.82 -0.67 1.46 5.85 -0.92 -1.06 115.31 121.64 3i95 h LEU 24 Ca 0.15 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3i95 h LEU 24 Cb 0.57 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3i95 h LEU 24 CO 0.03 1.01 0.42 0.00 -0.34 0.00 0.00 178.44 179.56 3i95 h ALA 25 N 0.83 0.87 -0.76 1.25 0.00 -0.71 -0.27 119.26 120.49 3i95 h ALA 25 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3i95 h ALA 25 Cb 0.67 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3i95 h ALA 25 CO 0.05 0.18 0.27 -0.07 0.00 0.00 0.00 179.25 179.67 3i95 h LEU 26 N 0.82 1.07 -0.69 0.00 -0.00 -1.09 -1.06 115.31 114.36 3i95 h LEU 26 Ca 0.27 -0.19 -0.10 0.00 -0.00 0.00 0.00 57.88 57.85 3i95 h LEU 26 Cb 0.02 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.38 3i95 h LEU 26 CO -0.11 0.98 -0.12 0.00 -0.00 0.00 0.00 178.44 179.19 3i95 h ALA 27 N 1.14 0.88 -0.10 1.53 0.00 -0.66 0.40 119.26 122.45 3i95 h ALA 27 Ca 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i95 h ALA 27 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i95 h ALA 27 CO -0.01 0.64 -0.02 0.82 0.00 0.00 0.00 179.25 180.68 3i95 h ILE 28 N 0.80 1.28 -1.00 0.00 2.04 -0.83 -1.47 117.51 118.33 3i95 h ILE 28 Ca 0.13 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3i95 h ILE 28 Cb 0.64 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 3i95 h ILE 28 CO 0.04 0.26 0.65 0.00 0.00 0.00 0.00 178.15 179.10 3i95 h ALA 29 N 0.70 1.37 -0.42 1.87 0.00 -1.08 -1.83 119.26 119.87 3i95 h ALA 29 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3i95 h ALA 29 Cb 0.41 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3i95 h ALA 29 CO 0.01 0.51 -0.09 0.00 0.00 0.00 0.00 179.25 179.68 3i95 h ALA 30 N 1.43 1.06 -0.53 0.00 0.00 -0.76 -0.29 119.26 120.17 3i95 h ALA 30 Ca 0.41 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3i95 h ALA 30 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3i95 h ALA 30 CO -0.14 0.58 0.08 0.66 0.00 0.00 0.00 179.25 180.42 3i95 h SER 31 N 0.67 0.80 1.33 0.00 4.64 -0.54 -3.17 113.55 117.29 3i95 h SER 31 Ca 0.12 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3i95 h SER 31 Cb 0.54 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3i95 h SER 31 CO 0.03 0.82 -0.68 -0.50 -0.87 0.00 0.00 176.83 175.63 3i95 h TRP 32 N 0.80 0.00 -1.00 4.77 6.55 -0.90 -3.42 115.95 122.76 3i95 h TRP 32 Ca 0.17 0.00 0.13 0.00 0.95 0.00 0.00 58.89 60.14 3i95 h TRP 32 Cb 0.37 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 28.58 3i95 h TRP 32 CO 0.02 0.04 0.63 0.37 -1.05 0.00 0.00 178.44 178.44 3i95 h GLN 33 N 0.00 0.92 -0.59 0.49 -0.00 -1.03 -1.71 115.11 113.19 3i95 h GLN 33 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3i95 h GLN 33 Cb 1.04 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 28.31 3i95 h GLN 33 CO 0.00 0.61 0.00 -1.13 0.00 0.00 0.00 178.83 178.31 3i95 n SER 34 N -4.65 3.66 -4.78 -0.69 3.41 -1.26 -4.96 113.62 104.35 3i95 n SER 34 Ca 0.20 -2.05 -0.30 0.00 -0.26 0.00 0.00 58.87 56.46 3i95 n SER 34 Cb 0.40 -0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.04 3i95 n SER 34 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i95 s LEU 35 N -1.09 2.51 -1.20 1.04 1.43 -0.64 -4.91 118.68 115.82 3i95 s LEU 35 Ca 0.40 1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 3i95 s LEU 35 Cb 0.22 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3i95 s LEU 35 CO 0.26 -2.16 2.05 -0.81 0.23 0.00 0.00 176.35 175.92 3i95 n PRO 36 N -3.56 2.37 -2.62 1.29 -0.04 -1.26 -4.94 135.00 126.24 3i95 n PRO 36 Ca 0.07 -2.44 -0.36 0.00 -0.04 0.00 0.00 63.50 60.73 3i95 n PRO 36 Cb 0.56 -3.23 -0.05 0.00 -0.04 0.00 0.00 33.50 30.74 3i95 n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i95 s LEU 37 N 2.79 4.19 0.07 1.53 1.43 -1.26 -4.48 118.68 122.94 3i95 s LEU 37 Ca 0.53 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 3i95 s LEU 37 Cb 0.12 -4.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 3i95 s LEU 37 CO 0.01 -0.36 -0.11 -0.75 0.23 0.00 0.00 176.35 175.37 3i95 s LYS 38 N -2.40 0.73 0.59 1.70 2.20 -0.28 -4.97 119.74 117.31 3i95 s LYS 38 Ca 0.56 -0.93 -0.20 0.00 -0.36 0.00 0.00 55.97 55.04 3i95 s LYS 38 Cb -0.20 -0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 35.48 3i95 s LYS 38 CO 0.26 0.12 1.34 -2.14 -0.36 0.00 0.00 175.35 174.57 3i95 s PRO 39 N -1.87 2.87 -0.24 4.03 0.02 -1.26 -0.92 135.00 137.62 3i95 s PRO 39 Ca -0.03 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3i95 s PRO 39 Cb -0.09 -2.08 0.03 0.00 0.02 0.00 0.00 34.50 32.39 3i95 s PRO 39 CO 0.01 -1.39 -0.08 -0.47 -0.33 0.00 0.00 177.00 174.74 3i95 s TYR 40 N -1.33 3.07 -0.36 6.54 5.04 -0.70 -4.54 117.35 125.06 3i95 s TYR 40 Ca 0.77 -1.71 -0.29 0.00 -2.44 0.00 0.00 57.07 53.40 3i95 s TYR 40 Cb -0.40 -2.02 0.01 0.00 0.35 0.00 0.00 41.96 39.90 3i95 s TYR 40 CO 0.45 -0.77 1.26 -0.65 -1.34 0.00 0.00 175.55 174.50 3i95 s GLN 41 N 1.28 3.83 0.85 4.97 1.11 -1.26 -4.56 119.66 125.88 3i95 s GLN 41 Ca -0.01 1.02 -0.11 0.00 0.01 0.00 0.00 55.36 56.27 3i95 s GLN 41 Cb -0.17 -3.89 0.10 0.00 -1.01 0.00 0.00 33.01 28.04 3i95 s GLN 41 CO -0.06 -1.23 1.09 -0.51 0.01 0.00 0.00 175.29 174.60 3i95 s LEU 42 N 4.49 2.54 0.21 2.90 1.43 -1.26 -4.87 118.68 124.13 3i95 s LEU 42 Ca 0.54 1.59 -0.31 0.00 -1.03 0.00 0.00 54.13 54.92 3i95 s LEU 42 Cb -0.13 -4.12 -0.15 0.00 0.03 0.00 0.00 46.19 41.82 3i95 s LEU 42 CO 0.25 -2.40 1.12 -2.65 0.23 0.00 0.00 176.35 172.91 3i95 n PRO 43 N -3.74 1.25 -1.92 1.29 -0.02 -1.26 -0.48 135.00 130.12 3i95 n PRO 43 Ca 0.08 0.44 -0.19 0.00 -2.02 0.00 0.00 63.50 61.81 3i95 n PRO 43 Cb 0.54 -1.91 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 3i95 n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i95 n GLU 44 N 1.47 -1.58 -4.10 -0.52 1.02 -1.26 -2.20 120.64 113.46 3i95 n GLU 44 Ca 0.13 1.04 -0.32 0.00 -0.02 0.00 0.00 57.16 57.99 3i95 n GLU 44 Cb 0.27 -5.52 -0.02 0.00 -0.02 0.00 0.00 31.44 26.15 3i95 n GLU 44 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i95 n ASP 45 N -1.51 -2.33 -4.74 1.62 8.00 0.36 -4.85 116.55 113.10 3i95 n ASP 45 Ca -0.21 -0.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 3i95 n ASP 45 Cb 0.65 -2.95 -0.02 0.00 -0.02 0.00 0.00 41.12 38.78 3i95 n ASP 45 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i95 s LEU 46 N -7.17 4.36 0.00 0.64 2.96 -0.94 -4.88 118.68 113.65 3i95 s LEU 46 Ca 0.46 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 57.23 3i95 s LEU 46 Cb -0.25 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.82 3i95 s LEU 46 CO 0.91 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 3i95 n GLY 47 N 2.50 0.11 3.39 7.98 0.00 -1.26 -4.65 105.19 113.27 3i95 n GLY 47 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3i95 n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i95 s TYR 48 N -0.93 2.60 -0.07 1.61 6.14 -1.26 -0.04 117.35 125.40 3i95 s TYR 48 Ca 0.00 -0.39 -0.14 0.00 0.64 0.00 0.00 57.07 57.18 3i95 s TYR 48 Cb 0.00 -1.63 0.03 0.00 0.42 0.00 0.00 41.96 40.78 3i95 s TYR 48 CO 0.00 0.01 0.35 0.54 0.64 0.00 0.00 175.55 177.09 3i95 s VAL 49 N -0.44 0.03 0.03 3.14 0.11 -0.43 -5.01 120.40 117.83 3i95 s VAL 49 Ca 0.05 -0.25 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 3i95 s VAL 49 Cb -0.12 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3i95 s VAL 49 CO 0.02 -0.14 -0.08 -1.61 -3.33 0.00 0.00 175.10 169.95 3i95 s GLU 50 N -0.66 0.59 -0.04 1.54 2.02 -1.26 -0.34 118.70 120.55 3i95 s GLU 50 Ca -0.08 -0.57 -0.20 0.00 0.02 0.00 0.00 54.97 54.14 3i95 s GLU 50 Cb -0.04 -0.48 0.04 0.00 0.10 0.00 0.00 34.13 33.75 3i95 s GLU 50 CO 0.03 0.11 0.43 0.20 0.02 0.00 0.00 175.26 176.05 3i95 s GLY 51 N -1.01 -0.30 -0.04 -1.39 0.00 -0.41 -4.99 107.32 99.18 3i95 s GLY 51 Ca -0.04 0.70 -0.07 0.00 0.00 0.00 0.00 44.72 45.31 3i95 s GLY 51 CO 0.00 0.44 0.17 -1.60 0.00 0.00 0.00 173.10 172.12 3i95 s ARG 52 N -1.18 0.33 0.00 2.90 3.52 -0.99 -0.73 118.95 122.80 3i95 s ARG 52 Ca -0.12 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 3i95 s ARG 52 Cb -0.03 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 3i95 s ARG 52 CO 0.06 -0.07 0.00 1.28 -0.81 0.00 0.00 175.30 175.76 3i95 n LEU 53 N 2.34 0.00 -0.29 -0.88 4.77 -1.14 -4.85 117.00 116.95 3i95 n LEU 53 Ca -0.17 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3i95 n LEU 53 Cb 0.57 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.80 3i95 n LEU 53 CO 0.20 0.00 0.38 -0.62 -1.33 0.00 0.00 177.39 176.03 3i95 n GLU 54 N 0.00 0.77 0.00 3.23 -0.58 -1.26 -4.97 120.64 117.84 3i95 n GLU 54 Ca 0.00 -0.57 0.00 0.00 -0.42 0.00 0.00 57.16 56.17 3i95 n GLU 54 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3i95 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i95 n GLY 55 N 1.41 3.50 3.81 0.62 0.00 -1.26 -5.13 105.19 108.14 3i95 n GLY 55 Ca 0.09 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3i95 n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i95 s GLU 56 N 4.04 3.52 0.11 1.61 0.41 -1.26 -5.00 118.70 122.12 3i95 s GLU 56 Ca 0.00 1.13 -0.22 0.00 -0.41 0.00 0.00 54.97 55.48 3i95 s GLU 56 Cb 0.00 -2.07 -0.07 0.00 -1.78 0.00 0.00 34.13 30.21 3i95 s GLU 56 CO 0.00 -0.64 0.65 0.21 -0.49 0.00 0.00 175.26 174.99 3i95 s LYS 57 N -4.05 4.35 -0.17 1.61 2.20 -1.26 -4.54 119.74 117.87 3i95 s LYS 57 Ca 0.62 0.90 -0.06 0.00 -0.36 0.00 0.00 55.97 57.08 3i95 s LYS 57 Cb -0.14 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 3i95 s LYS 57 CO 0.35 0.60 0.01 -1.17 -0.36 0.00 0.00 175.35 174.78 3i95 s LEU 58 N -1.09 3.50 -0.09 5.43 2.96 0.09 -0.43 118.68 129.05 3i95 s LEU 58 Ca 0.32 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 3i95 s LEU 58 Cb -0.21 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 3i95 s LEU 58 CO 0.22 0.16 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.48 3i95 s VAL 59 N 0.46 1.97 -0.03 1.68 1.01 -0.12 -1.28 120.40 124.08 3i95 s VAL 59 Ca -0.00 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3i95 s VAL 59 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3i95 s VAL 59 CO 0.02 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 174.93 3i95 s ILE 60 N 0.26 0.88 -0.14 2.22 1.01 0.54 -0.96 121.20 125.02 3i95 s ILE 60 Ca -0.15 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3i95 s ILE 60 Cb -0.17 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.54 3i95 s ILE 60 CO 0.07 0.27 -0.20 -1.61 0.00 0.00 0.00 174.94 173.48 3i95 s GLU 61 N 0.13 2.80 -0.08 2.79 2.02 0.17 -1.32 118.70 125.21 3i95 s GLU 61 Ca -0.03 -0.77 -0.00 0.00 0.02 0.00 0.00 54.97 54.20 3i95 s GLU 61 Cb -0.09 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 3i95 s GLU 61 CO 0.01 -0.07 -0.06 -0.80 0.02 0.00 0.00 175.26 174.36 3i95 s ASN 62 N 0.97 4.71 -0.05 -0.19 0.01 0.94 -1.27 114.94 120.05 3i95 s ASN 62 Ca -0.04 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.11 3i95 s ASN 62 Cb -0.15 -1.29 0.01 0.00 0.41 0.00 0.00 41.25 40.23 3i95 s ASN 62 CO -0.04 0.33 -0.11 -0.13 -1.51 0.00 0.00 177.10 175.64 3i95 s ARG 63 N -0.63 1.39 -0.14 -0.60 0.52 -0.17 -4.71 118.95 114.61 3i95 s ARG 63 Ca 0.10 -0.38 -0.08 0.00 -0.52 0.00 0.00 55.73 54.85 3i95 s ARG 63 Cb -0.12 -1.21 0.05 0.00 0.52 0.00 0.00 34.95 34.19 3i95 s ARG 63 CO 0.02 0.08 0.33 0.00 0.02 0.00 0.00 175.30 175.75 3i95 s TYR 65 N 1.27 1.69 0.12 0.00 2.02 -0.19 -1.72 117.35 120.54 3i95 s TYR 65 Ca -0.09 -1.55 -0.13 0.00 -0.37 0.00 0.00 57.07 54.93 3i95 s TYR 65 Cb -0.09 -0.79 0.02 0.00 -0.40 0.00 0.00 41.96 40.70 3i95 s TYR 65 CO -0.10 -0.72 0.33 1.14 -1.57 0.00 0.00 175.55 174.63 3i95 s GLN 66 N -3.60 1.01 0.28 -0.62 -2.07 -0.10 0.07 119.66 114.65 3i95 s GLN 66 Ca 0.37 -0.84 0.03 0.00 -1.82 0.00 0.00 55.36 53.10 3i95 s GLN 66 Cb 0.03 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 3i95 s GLN 66 CO 0.23 -0.38 0.25 0.95 -1.32 0.00 0.00 175.29 175.02 3i95 s THR 67 N -3.84 0.00 0.55 3.63 -4.23 -0.25 -1.13 115.64 110.37 3i95 s THR 67 Ca 0.05 -1.96 0.25 0.00 -1.18 0.00 0.00 61.69 58.85 3i95 s THR 67 Cb 0.03 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.68 3i95 s THR 67 CO -0.10 0.00 2.20 -0.65 -0.54 0.00 0.00 174.62 175.53 3i95 h PRO 68 N 2.31 0.00 0.00 3.99 0.11 -2.00 -2.82 132.00 133.59 3i95 h PRO 68 Ca -0.29 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.69 3i95 h PRO 68 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3i95 h PRO 68 CO 0.42 0.02 -1.58 1.04 -0.21 0.00 0.00 178.00 177.69 3i95 n GLN 69 N -4.07 0.63 -4.03 1.05 3.00 -1.26 -4.74 117.38 107.97 3i95 n GLN 69 Ca -0.03 0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.71 3i95 n GLN 69 Cb 0.10 -1.71 -0.15 0.00 0.00 0.00 0.00 30.24 28.48 3i95 n GLN 69 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3i95 s PHE 70 N -3.08 3.11 0.28 1.08 0.40 -1.06 -0.99 117.98 117.72 3i95 s PHE 70 Ca -0.04 -1.92 -0.02 0.00 -0.60 0.00 0.00 56.93 54.35 3i95 s PHE 70 Cb 0.10 -1.99 0.43 0.00 0.51 0.00 0.00 43.02 42.07 3i95 s PHE 70 CO 0.83 -0.81 1.91 -0.09 0.70 0.00 0.00 175.22 177.75 3i95 h ARG 71 N 7.90 1.12 -1.94 0.44 2.43 -0.68 -0.65 114.38 123.00 3i95 h ARG 71 Ca -0.29 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 58.89 3i95 h ARG 71 Cb 1.08 -0.25 -0.20 0.00 -0.42 0.00 0.00 29.97 30.18 3i95 h ARG 71 CO 0.54 0.74 -0.08 0.21 -1.51 0.00 0.00 179.97 179.86 3i95 s LYS 72 N -5.99 0.58 -0.32 0.20 2.20 -1.08 -4.68 119.74 110.65 3i95 s LYS 72 Ca -0.12 1.38 0.03 0.00 -0.36 0.00 0.00 55.97 56.90 3i95 s LYS 72 Cb 0.20 0.73 0.09 0.00 -1.51 0.00 0.00 37.83 37.34 3i95 s LYS 72 CO 0.81 -0.19 0.02 -1.64 -0.36 0.00 0.00 175.35 174.00 3i95 s MET 73 N 2.66 1.56 -0.20 4.03 -1.94 0.11 0.12 119.30 125.64 3i95 s MET 73 Ca -0.06 -1.71 -0.02 0.00 -1.71 0.00 0.00 55.69 52.19 3i95 s MET 73 Cb -0.11 -3.05 0.01 0.00 2.01 0.00 0.00 34.83 33.69 3i95 s MET 73 CO -0.19 -0.87 -0.11 -1.58 -0.01 0.00 0.00 175.02 172.26 3i95 s HIS 74 N 1.00 2.89 -0.21 -0.03 5.04 -0.15 -1.02 115.29 122.81 3i95 s HIS 74 Ca 0.07 -1.26 -0.02 0.00 -1.54 0.00 0.00 55.06 52.30 3i95 s HIS 74 Cb -0.19 -2.03 0.00 0.00 0.04 0.00 0.00 32.58 30.40 3i95 s HIS 74 CO -0.09 -0.67 -0.09 -1.17 -2.34 0.00 0.00 174.74 170.39 3i95 s LEU 75 N 1.39 2.67 -0.13 8.88 2.96 -0.04 -1.77 118.68 132.64 3i95 s LEU 75 Ca 0.05 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 3i95 s LEU 75 Cb -0.14 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.91 3i95 s LEU 75 CO -0.07 -0.02 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.25 3i95 s GLN 76 N 1.42 1.95 -0.04 1.98 0.74 0.62 -1.00 119.66 125.33 3i95 s GLN 76 Ca 0.06 -0.42 -0.03 0.00 0.05 0.00 0.00 55.36 55.01 3i95 s GLN 76 Cb -0.14 -1.87 -0.04 0.00 1.10 0.00 0.00 33.01 32.07 3i95 s GLN 76 CO -0.06 -0.24 0.15 -0.51 -0.55 0.00 0.00 175.29 174.07 3i95 s LEU 77 N 1.56 4.26 0.02 3.68 1.43 -0.40 -0.86 118.68 128.38 3i95 s LEU 77 Ca 0.05 0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.35 3i95 s LEU 77 Cb -0.13 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.72 3i95 s LEU 77 CO -0.09 0.31 0.28 0.00 0.23 0.00 0.00 176.35 177.07 3i95 s ALA 78 N -1.21 -0.63 -0.02 4.21 0.00 -0.20 -0.65 121.76 123.26 3i95 s ALA 78 Ca 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 3i95 s ALA 78 Cb -0.12 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3i95 s ALA 78 CO 0.14 -0.35 0.03 0.15 0.00 0.00 0.00 175.76 175.73 3i95 s LYS 79 N -2.12 -0.03 -0.29 0.00 1.02 -0.13 -0.78 119.74 117.40 3i95 s LYS 79 Ca -0.08 0.18 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 3i95 s LYS 79 Cb -0.03 -0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.02 3i95 s LYS 79 CO -0.01 -0.16 0.16 0.08 -0.92 0.00 0.00 175.35 174.51 3i95 s VAL 80 N 1.01 4.93 0.00 3.17 1.01 0.74 -0.95 120.40 130.32 3i95 s VAL 80 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3i95 s VAL 80 Cb -0.12 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3i95 s VAL 80 CO -0.03 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3i95 n GLY 81 N 5.02 2.34 0.08 4.51 0.00 0.43 -2.37 105.19 115.21 3i95 n GLY 81 Ca -0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3i95 n GLY 81 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i95 h LYS 82 N 0.00 0.02 0.00 1.61 2.10 -1.93 -3.43 116.57 114.93 3i95 h LYS 82 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3i95 h LYS 82 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3i95 h LYS 82 CO 0.00 0.71 -0.46 0.41 -2.00 0.00 0.00 179.45 178.11 3i95 n GLY 83 N 1.50 0.52 3.55 0.07 0.00 -1.22 -4.99 105.19 104.62 3i95 n GLY 83 Ca -0.11 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3i95 n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i95 s LEU 84 N -2.47 4.30 -0.02 0.99 2.96 -1.00 -3.48 118.68 119.96 3i95 s LEU 84 Ca 0.00 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 3i95 s LEU 84 Cb 0.01 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3i95 s LEU 84 CO 0.03 -0.15 -0.21 -1.81 -1.32 0.00 0.00 176.35 172.88 3i95 s ASP 85 N 1.74 3.45 -0.02 3.68 1.01 0.39 -0.19 116.67 126.73 3i95 s ASP 85 Ca 0.06 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.96 3i95 s ASP 85 Cb -0.17 -0.54 0.01 0.00 1.01 0.00 0.00 42.92 43.24 3i95 s ASP 85 CO 0.11 0.32 -0.03 -0.63 0.21 0.00 0.00 175.17 175.15 3i95 s ILE 86 N -0.68 0.32 -0.12 0.77 1.01 0.04 -0.65 121.20 121.89 3i95 s ILE 86 Ca 0.11 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.70 3i95 s ILE 86 Cb -0.10 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.04 3i95 s ILE 86 CO -0.00 0.13 -0.21 -0.22 0.00 0.00 0.00 174.94 174.65 3i95 s LEU 87 N 0.45 2.22 -0.07 2.97 0.20 -0.09 -1.03 118.68 123.33 3i95 s LEU 87 Ca -0.05 -0.54 0.05 0.00 0.69 0.00 0.00 54.13 54.28 3i95 s LEU 87 Cb -0.08 -1.47 -0.00 0.00 -0.43 0.00 0.00 46.19 44.21 3i95 s LEU 87 CO -0.01 0.12 -0.23 -2.28 -0.29 0.00 0.00 176.35 173.67 3i95 s HIS 88 N 0.57 2.35 -0.10 5.38 5.65 -0.04 -0.87 115.29 128.23 3i95 s HIS 88 Ca -0.12 -0.81 -0.05 0.00 0.25 0.00 0.00 55.06 54.32 3i95 s HIS 88 Cb -0.17 -1.56 0.04 0.00 -1.18 0.00 0.00 32.58 29.71 3i95 s HIS 88 CO 0.04 -0.29 0.23 0.00 -0.65 0.00 0.00 174.74 174.06 3i95 s VAL 90 N 1.08 0.57 -0.44 0.00 1.01 -0.73 -0.87 120.40 121.03 3i95 s VAL 90 Ca -0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3i95 s VAL 90 Cb -0.09 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.81 3i95 s VAL 90 CO -0.07 0.20 0.32 -0.04 0.00 0.00 0.00 175.10 175.51 3i95 s MET 91 N 0.44 2.85 -0.14 2.72 -1.94 0.10 -0.98 119.30 122.35 3i95 s MET 91 Ca -0.06 -1.30 -0.26 0.00 -1.71 0.00 0.00 55.69 52.36 3i95 s MET 91 Cb -0.10 -3.96 -0.02 0.00 2.01 0.00 0.00 34.83 32.77 3i95 s MET 91 CO 0.00 -0.93 0.84 -0.06 -0.01 0.00 0.00 175.02 174.86 3i95 s PHE 92 N 1.57 3.46 0.51 -0.03 0.40 0.12 -2.87 117.98 121.14 3i95 s PHE 92 Ca 0.04 1.31 -0.19 0.00 -0.60 0.00 0.00 56.93 57.48 3i95 s PHE 92 Cb -0.23 -3.00 -0.08 0.00 0.51 0.00 0.00 43.02 40.22 3i95 s PHE 92 CO 0.06 -0.18 1.03 -1.25 0.70 0.00 0.00 175.22 175.58 3i95 s PRO 93 N 1.88 3.75 -0.12 0.24 0.04 -1.26 -0.11 135.00 139.41 3i95 s PRO 93 Ca 0.40 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.41 3i95 s PRO 93 Cb -0.17 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3i95 s PRO 93 CO 0.15 -0.46 1.42 -1.21 0.04 0.00 0.00 177.00 176.93 3i95 s GLU 94 N -3.48 4.21 0.51 4.56 0.41 -0.16 -4.16 118.70 120.59 3i95 s GLU 94 Ca 0.65 1.88 0.24 0.00 -0.41 0.00 0.00 54.97 57.34 3i95 s GLU 94 Cb -0.15 -3.85 1.35 0.00 -1.78 0.00 0.00 34.13 29.70 3i95 s GLU 94 CO 0.24 -0.76 1.96 -1.35 -0.49 0.00 0.00 175.26 174.86 3i95 h PRO 95 N 8.72 0.08 -0.93 0.39 0.11 -1.89 -1.55 132.00 136.93 3i95 h PRO 95 Ca -0.32 -0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.03 3i95 h PRO 95 Cb 1.13 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 3i95 h PRO 95 CO 0.96 0.05 0.64 1.25 -0.21 0.00 0.00 178.00 180.69 3i95 h LEU 96 N 0.08 0.21 -0.23 2.35 5.85 -1.91 -1.43 115.31 120.23 3i95 h LEU 96 Ca 0.30 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.05 3i95 h LEU 96 Cb 1.10 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3i95 h LEU 96 CO -0.03 0.07 -0.85 -1.22 -0.34 0.00 0.00 178.44 176.07 3i95 n TYR 97 N -4.40 0.00 -1.99 1.25 4.01 -0.59 -0.25 117.16 115.19 3i95 n TYR 97 Ca 0.20 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.77 3i95 n TYR 97 Cb 0.87 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.85 3i95 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i95 n GLY 98 N 1.48 0.48 3.82 2.72 0.00 -0.54 -4.75 105.19 108.40 3i95 n GLY 98 Ca 0.05 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3i95 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i95 s LEU 99 N -4.46 3.82 1.15 0.99 1.43 -1.26 -4.95 118.68 115.40 3i95 s LEU 99 Ca 0.00 1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 3i95 s LEU 99 Cb 0.00 -4.53 0.26 0.00 0.03 0.00 0.00 46.19 41.95 3i95 s LEU 99 CO 0.00 -0.50 1.07 -2.16 0.23 0.00 0.00 176.35 175.00 3i95 s PRO 100 N -3.48 -0.76 -0.28 1.29 0.04 -1.26 -4.68 135.00 125.87 3i95 s PRO 100 Ca 0.62 0.29 -0.16 0.00 0.04 0.00 0.00 61.00 61.79 3i95 s PRO 100 Cb -0.10 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 3i95 s PRO 100 CO 0.20 -3.48 0.43 -0.51 0.04 0.00 0.00 177.00 173.68 3i95 s LEU 101 N -6.90 4.11 0.10 -3.56 1.43 -0.26 -4.50 118.68 109.09 3i95 s LEU 101 Ca 0.68 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 3i95 s LEU 101 Cb -0.16 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.50 3i95 s LEU 101 CO 0.58 -0.26 0.94 0.12 0.23 0.00 0.00 176.35 177.95 3i95 s PHE 102 N 2.18 3.79 -0.04 0.29 2.19 -1.14 -0.29 117.98 124.97 3i95 s PHE 102 Ca 0.17 1.75 -0.12 0.00 0.33 0.00 0.00 56.93 59.06 3i95 s PHE 102 Cb -0.16 -3.03 0.02 0.00 -1.31 0.00 0.00 43.02 38.55 3i95 s PHE 102 CO 0.10 0.20 0.27 0.20 1.83 0.00 0.00 175.22 177.83 3i95 s GLY 103 N 0.05 -0.13 0.00 13.12 0.00 -0.43 -0.72 107.32 119.21 3i95 s GLY 103 Ca 0.46 0.37 -0.15 0.00 0.00 0.00 0.00 44.72 45.40 3i95 s GLY 103 CO 0.29 0.20 0.33 0.00 0.00 0.00 0.00 173.10 173.92 3i95 s ASP 105 N -1.57 -0.01 -0.05 0.00 -1.08 -0.06 -1.25 116.67 112.63 3i95 s ASP 105 Ca -0.11 0.30 0.03 0.00 -0.52 0.00 0.00 52.55 52.26 3i95 s ASP 105 Cb -0.03 0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.63 3i95 s ASP 105 CO 0.02 -0.16 -0.15 -0.63 0.52 0.00 0.00 175.17 174.77 3i95 s ILE 106 N 1.30 1.27 -0.08 4.11 -1.09 -0.05 -0.52 121.20 126.15 3i95 s ILE 106 Ca -0.08 -0.60 0.02 0.00 -2.23 0.00 0.00 60.65 57.76 3i95 s ILE 106 Cb -0.12 -1.12 0.01 0.00 -1.58 0.00 0.00 42.46 39.66 3i95 s ILE 106 CO -0.06 0.38 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.21 3i95 s VAL 107 N 0.31 1.27 0.03 2.92 1.01 -0.38 -0.91 120.40 124.66 3i95 s VAL 107 Ca -0.09 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3i95 s VAL 107 Cb -0.13 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3i95 s VAL 107 CO 0.03 0.39 -0.06 0.00 0.00 0.00 0.00 175.10 175.46 3i95 s ALA 108 N 0.80 0.45 0.04 5.51 0.00 0.18 -0.52 121.76 128.22 3i95 s ALA 108 Ca -0.12 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3i95 s ALA 108 Cb -0.15 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 3i95 s ALA 108 CO 0.02 -0.05 0.02 0.41 0.00 0.00 0.00 175.76 176.16 3i95 n GLY 109 N 1.58 4.01 0.34 0.00 0.00 -0.21 -0.46 105.19 110.45 3i95 n GLY 109 Ca -0.23 -1.89 0.18 0.00 0.00 0.00 0.00 46.02 44.08 3i95 n GLY 109 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i95 h PRO 110 N 0.00 0.00 -0.39 1.61 0.11 -1.98 -0.73 132.00 130.63 3i95 h PRO 110 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3i95 h PRO 110 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3i95 h PRO 110 CO 0.04 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.24 3i95 n GLY 111 N -1.23 0.94 0.12 -0.55 0.00 -1.26 -5.06 105.19 98.15 3i95 n GLY 111 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3i95 n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i95 n GLY 112 N 1.20 -1.84 3.69 -0.02 0.00 -0.28 -4.94 105.19 102.99 3i95 n GLY 112 Ca 0.15 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3i95 n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i95 s VAL 113 N -0.06 3.66 -0.12 1.61 1.01 -1.26 -1.04 120.40 124.19 3i95 s VAL 113 Ca 0.00 1.02 0.11 0.00 0.00 0.00 0.00 61.98 63.11 3i95 s VAL 113 Cb 0.00 -3.66 -0.24 0.00 0.00 0.00 0.00 36.38 32.49 3i95 s VAL 113 CO 0.00 -0.01 0.35 -1.54 0.00 0.00 0.00 175.10 173.90 3i95 n SER 114 N 5.58 0.84 -3.77 3.32 3.41 0.32 -4.32 113.62 119.01 3i95 n SER 114 Ca 0.14 0.20 -0.14 0.00 -0.26 0.00 0.00 58.87 58.81 3i95 n SER 114 Cb 0.43 0.15 -0.15 0.00 -0.26 0.00 0.00 64.21 64.39 3i95 n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i95 s ALA 115 N -2.55 -0.08 -0.10 7.33 0.00 -0.99 -4.22 121.76 121.16 3i95 s ALA 115 Ca -0.11 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 3i95 s ALA 115 Cb 0.07 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3i95 s ALA 115 CO 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 175.76 176.42 3i95 s ALA 116 N 1.02 0.93 -0.03 0.00 0.00 -0.23 -1.25 121.76 122.19 3i95 s ALA 116 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.61 3i95 s ALA 116 Cb -0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 3i95 s ALA 116 CO -0.04 -0.53 -0.19 0.42 0.00 0.00 0.00 175.76 175.42 3i95 s ILE 117 N 1.88 1.55 -0.12 0.00 1.09 0.33 -1.50 121.20 124.43 3i95 s ILE 117 Ca 0.04 -0.81 -0.16 0.00 -1.10 0.00 0.00 60.65 58.63 3i95 s ILE 117 Cb -0.13 -1.31 0.04 0.00 -1.06 0.00 0.00 42.46 40.00 3i95 s ILE 117 CO -0.06 0.44 0.41 0.00 -0.10 0.00 0.00 174.94 175.63 3i95 s ALA 118 N -0.20 -1.03 0.12 9.38 0.00 -0.71 -0.88 121.76 128.44 3i95 s ALA 118 Ca 0.01 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 52.73 3i95 s ALA 118 Cb -0.10 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.62 3i95 s ALA 118 CO 0.01 -0.23 0.55 0.34 0.00 0.00 0.00 175.76 176.44 3i95 s ASP 119 N -0.26 -0.49 -0.30 0.00 3.68 -0.07 -0.74 116.67 118.49 3i95 s ASP 119 Ca -0.04 0.02 -0.05 0.00 2.13 0.00 0.00 52.55 54.62 3i95 s ASP 119 Cb -0.03 0.55 0.03 0.00 -1.45 0.00 0.00 42.92 42.02 3i95 s ASP 119 CO 0.02 -0.87 0.05 -0.76 0.13 0.00 0.00 175.17 173.73 3i95 s LEU 120 N -2.50 3.91 -0.10 -1.34 1.43 -1.26 -1.31 118.68 117.51 3i95 s LEU 120 Ca -0.01 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 3i95 s LEU 120 Cb -0.00 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3i95 s LEU 120 CO -0.09 -0.24 0.07 -0.44 0.23 0.00 0.00 176.35 175.88 3i95 s SER 121 N 1.38 5.79 0.59 2.29 0.01 0.60 -4.30 113.70 120.07 3i95 s SER 121 Ca -0.01 0.30 -0.18 0.00 1.31 0.00 0.00 55.95 57.37 3i95 s SER 121 Cb -0.18 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 3i95 s SER 121 CO 0.01 0.39 1.14 -2.16 0.41 0.00 0.00 173.24 173.03 3i95 s PRO 122 N -0.97 3.09 0.00 12.44 0.04 -1.26 -1.10 135.00 147.23 3i95 s PRO 122 Ca 0.14 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3i95 s PRO 122 Cb -0.12 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3i95 s PRO 122 CO 0.03 -1.06 0.00 0.25 0.04 0.00 0.00 177.00 176.26 3i95 n THR 123 N -1.71 0.00 -2.13 1.26 -2.24 -1.26 -4.81 114.28 103.39 3i95 n THR 123 Ca 0.12 -0.45 -0.35 0.00 -2.27 0.00 0.00 64.05 61.10 3i95 n THR 123 Cb 0.51 0.95 0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3i95 n THR 123 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i95 s GLN 124 N -1.08 3.17 0.48 -0.78 -0.21 -1.26 -3.63 119.66 116.35 3i95 s GLN 124 Ca 0.00 1.66 0.13 0.00 0.02 0.00 0.00 55.36 57.17 3i95 s GLN 124 Cb 0.00 -1.97 1.14 0.00 1.00 0.00 0.00 33.01 33.17 3i95 s GLN 124 CO 0.00 -1.01 2.12 0.77 -2.12 0.00 0.00 175.29 175.05 3i95 h SER 125 N 0.98 0.15 -0.00 5.90 0.02 -1.92 -0.69 113.55 117.99 3i95 h SER 125 Ca -0.50 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3i95 h SER 125 Cb 1.27 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3i95 h SER 125 CO 0.56 0.11 0.00 -0.67 -1.14 0.00 0.00 176.83 175.69 3i95 n ASP 126 N -4.52 0.01 -1.40 3.07 4.64 -1.26 -4.89 116.55 112.20 3i95 n ASP 126 Ca -0.01 -1.06 -0.16 0.00 -1.38 0.00 0.00 54.79 52.18 3i95 n ASP 126 Cb 0.09 -0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.11 3i95 n ASP 126 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3i95 n ARG 127 N -0.96 -1.18 -4.09 -0.67 1.74 -0.26 -4.99 116.66 106.24 3i95 n ARG 127 Ca 0.23 1.01 -0.31 0.00 -0.77 0.00 0.00 57.85 58.01 3i95 n ARG 127 Cb 0.11 -5.26 -0.07 0.00 -1.02 0.00 0.00 32.46 26.22 3i95 n ARG 127 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i95 s GLN 128 N -3.72 2.82 0.68 5.56 -1.52 -1.26 -4.82 119.66 117.41 3i95 s GLN 128 Ca 0.00 -0.69 -0.15 0.00 -1.95 0.00 0.00 55.36 52.57 3i95 s GLN 128 Cb 0.00 -2.70 0.01 0.00 -0.22 0.00 0.00 33.01 30.10 3i95 s GLN 128 CO 0.00 0.58 1.13 -0.51 -0.25 0.00 0.00 175.29 176.23 3i95 s LEU 129 N -2.22 3.36 0.69 2.90 1.43 -1.26 -4.33 118.68 119.25 3i95 s LEU 129 Ca 0.27 2.07 -0.17 0.00 -1.03 0.00 0.00 54.13 55.27 3i95 s LEU 129 Cb -0.12 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.55 3i95 s LEU 129 CO 0.19 -1.79 1.23 -2.65 0.23 0.00 0.00 176.35 173.57 3i95 n PRO 130 N -2.53 0.83 -0.36 1.29 -0.02 -1.26 -4.72 135.00 128.24 3i95 n PRO 130 Ca 0.11 0.34 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 3i95 n PRO 130 Cb 0.52 -2.47 0.26 0.00 -0.02 0.00 0.00 33.50 31.78 3i95 n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i95 h ALA 131 N 0.11 1.53 -0.61 3.55 0.00 -1.99 -1.18 119.26 120.68 3i95 h ALA 131 Ca -0.49 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3i95 h ALA 131 Cb 1.33 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3i95 h ALA 131 CO 0.51 0.15 0.19 0.00 0.00 0.00 0.00 179.25 180.09 3i95 h ALA 132 N 1.56 1.19 -0.25 0.00 0.00 -2.00 -1.02 119.26 118.74 3i95 h ALA 132 Ca 0.51 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3i95 h ALA 132 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i95 h ALA 132 CO -0.30 0.57 -0.10 1.88 0.00 0.00 0.00 179.25 181.30 3i95 h TYR 133 N 0.89 0.58 -0.58 0.00 -1.99 -1.60 -1.53 116.97 112.75 3i95 h TYR 133 Ca 0.20 -0.14 0.07 0.00 2.00 0.00 0.00 58.73 60.86 3i95 h TYR 133 Cb 0.26 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 38.80 3i95 h TYR 133 CO 0.02 0.76 0.27 1.96 -0.00 0.00 0.00 178.16 181.16 3i95 h GLN 134 N 0.24 0.48 0.17 4.88 4.20 -1.01 0.54 115.11 124.60 3i95 h GLN 134 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3i95 h GLN 134 Cb 0.60 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3i95 h GLN 134 CO 0.03 0.32 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.21 3i95 h LYS 135 N 0.49 -0.22 -0.58 1.46 3.64 -1.16 -1.19 116.57 119.01 3i95 h LYS 135 Ca 0.27 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 3i95 h LYS 135 Cb 0.24 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3i95 h LYS 135 CO -0.22 -0.02 0.14 0.77 -2.27 0.00 0.00 179.45 177.85 3i95 h SER 136 N -0.39 0.85 -0.34 4.20 0.02 -1.04 -2.46 113.55 114.40 3i95 h SER 136 Ca -0.02 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.64 3i95 h SER 136 Cb 0.30 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3i95 h SER 136 CO 0.04 0.84 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.22 3i95 h LEU 137 N 0.87 0.83 -1.15 5.07 3.38 -0.86 -3.02 115.31 120.43 3i95 h LEU 137 Ca 0.19 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3i95 h LEU 137 Cb 0.32 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3i95 h LEU 137 CO 0.00 1.10 0.59 0.00 0.09 0.00 0.00 178.44 180.22 3i95 h ALA 138 N 0.75 1.52 0.00 1.53 0.00 -1.04 -2.24 119.26 119.78 3i95 h ALA 138 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i95 h ALA 138 Cb 0.84 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i95 h ALA 138 CO 0.07 0.34 0.00 0.39 0.00 0.00 0.00 179.25 180.05 3i95 n GLU 139 N -4.49 0.01 0.24 0.00 1.02 -0.94 -1.63 120.64 114.84 3i95 n GLU 139 Ca 0.14 0.20 0.15 0.00 -0.02 0.00 0.00 57.16 57.62 3i95 n GLU 139 Cb 0.21 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.56 3i95 n GLU 139 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3i95 h LEU 140 N 0.00 0.00 0.00 -4.62 3.38 -1.40 -3.50 115.31 109.17 3i95 h LEU 140 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i95 h LEU 140 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i95 h LEU 140 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3i95 n GLY 141 N 0.56 -2.09 3.65 0.83 0.00 -0.65 -4.86 105.19 102.63 3i95 n GLY 141 Ca 0.02 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3i95 n GLY 141 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i95 s GLN 142 N -2.35 4.19 0.43 1.61 0.74 -1.26 -4.97 119.66 118.04 3i95 s GLN 142 Ca 0.00 1.03 -0.22 0.00 0.05 0.00 0.00 55.36 56.21 3i95 s GLN 142 Cb 0.00 -3.65 -0.09 0.00 1.10 0.00 0.00 33.01 30.37 3i95 s GLN 142 CO 0.00 -0.56 1.01 -1.25 -0.55 0.00 0.00 175.29 173.94 3i95 s PRO 143 N 2.95 4.11 -0.23 1.67 0.04 -1.26 -5.02 135.00 137.26 3i95 s PRO 143 Ca 0.37 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 3i95 s PRO 143 Cb -0.15 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 3i95 s PRO 143 CO 0.07 -0.16 0.42 -2.00 0.04 0.00 0.00 177.00 175.37 3i95 s GLU 144 N -2.86 4.12 -0.02 4.56 2.12 -1.26 -5.06 118.70 120.30 3i95 s GLU 144 Ca 0.61 0.20 0.01 0.00 0.36 0.00 0.00 54.97 56.15 3i95 s GLU 144 Cb -0.17 -3.58 0.02 0.00 0.26 0.00 0.00 34.13 30.66 3i95 s GLU 144 CO 0.21 -0.15 -0.01 -0.06 -0.54 0.00 0.00 175.26 174.70 3i95 s PHE 145 N 1.67 0.36 0.28 5.30 0.40 -1.26 -5.02 117.98 119.70 3i95 s PHE 145 Ca 0.19 -0.04 0.11 0.00 -0.60 0.00 0.00 56.93 56.59 3i95 s PHE 145 Cb -0.15 -0.38 0.39 0.00 0.51 0.00 0.00 43.02 43.39 3i95 s PHE 145 CO 0.09 -0.10 1.63 0.93 0.70 0.00 0.00 175.22 178.47 3i95 h GLU 146 N 6.91 0.00 -2.64 0.44 5.08 -1.97 -3.37 114.58 119.03 3i95 h GLU 146 Ca -0.38 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.38 3i95 h GLU 146 Cb 1.15 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.99 3i95 h GLU 146 CO 0.49 0.59 -0.71 1.04 -1.00 0.00 0.00 179.01 179.42 3i95 n GLN 147 N -3.81 1.57 -2.40 2.33 6.02 -1.26 -5.09 117.38 114.74 3i95 n GLN 147 Ca -0.01 -4.16 -0.38 0.00 -0.01 0.00 0.00 57.00 52.44 3i95 n GLN 147 Cb 0.60 -2.06 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 3i95 n GLN 147 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i95 s GLN 148 N -1.38 4.16 0.01 -1.09 -0.21 -1.26 -1.37 119.66 118.51 3i95 s GLN 148 Ca 0.31 1.73 0.09 0.00 0.02 0.00 0.00 55.36 57.50 3i95 s GLN 148 Cb 0.04 -2.70 -0.02 0.00 1.00 0.00 0.00 33.01 31.33 3i95 s GLN 148 CO -0.13 -0.19 -0.26 1.03 -2.12 0.00 0.00 175.29 173.61 3i95 s ARG 149 N -2.25 1.98 0.06 2.91 0.52 -0.05 -4.88 118.95 117.24 3i95 s ARG 149 Ca 0.56 -1.00 -0.25 0.00 -0.52 0.00 0.00 55.73 54.51 3i95 s ARG 149 Cb -0.28 -2.01 -0.06 0.00 0.52 0.00 0.00 34.95 33.12 3i95 s ARG 149 CO 0.35 0.54 0.78 -2.00 0.02 0.00 0.00 175.30 174.99 3i95 s GLU 150 N -0.86 4.51 0.53 3.54 2.56 -1.26 -4.69 118.70 123.02 3i95 s GLU 150 Ca 0.11 1.09 -0.21 0.00 0.00 0.00 0.00 54.97 55.95 3i95 s GLU 150 Cb -0.10 -3.36 -0.06 0.00 2.00 0.00 0.00 34.13 32.62 3i95 s GLU 150 CO 0.00 0.30 1.22 -0.51 -0.56 0.00 0.00 175.26 175.71 3i95 s LEU 151 N -0.12 3.85 0.87 2.70 1.43 -1.26 -5.02 118.68 121.13 3i95 s LEU 151 Ca 0.39 2.42 -0.11 0.00 -1.03 0.00 0.00 54.13 55.80 3i95 s LEU 151 Cb -0.21 -4.38 0.12 0.00 0.03 0.00 0.00 46.19 41.74 3i95 s LEU 151 CO 0.23 -1.29 1.09 -2.16 0.23 0.00 0.00 176.35 174.46 3i95 s PRO 152 N -2.98 1.44 0.30 1.29 0.04 -1.26 -4.87 135.00 128.96 3i95 s PRO 152 Ca 0.70 0.85 0.05 0.00 0.04 0.00 0.00 61.00 62.64 3i95 s PRO 152 Cb -0.31 -1.83 0.71 0.00 0.04 0.00 0.00 34.50 33.11 3i95 s PRO 152 CO 0.36 -2.12 1.76 -1.35 0.04 0.00 0.00 177.00 175.70 3i95 h PRO 153 N -1.46 0.68 0.00 0.56 0.11 -2.02 0.93 132.00 130.80 3i95 h PRO 153 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3i95 h PRO 153 Cb 1.28 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i95 h PRO 153 CO 0.55 0.45 0.00 0.11 -0.21 0.00 0.00 178.00 178.90 3i95 h TRP 154 N 0.70 0.00 0.00 0.65 5.08 -1.92 -2.34 115.95 118.13 3i95 h TRP 154 Ca 0.56 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.53 3i95 h TRP 154 Cb 0.89 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 3i95 h TRP 154 CO -0.03 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.54 3i95 n GLY 155 N -0.81 -0.65 0.34 11.11 0.00 0.32 -3.44 105.19 112.07 3i95 n GLY 155 Ca -0.01 -0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.13 3i95 n GLY 155 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i95 h GLU 156 N 0.00 0.00 0.00 1.61 -0.00 -1.58 -1.83 114.58 112.78 3i95 h GLU 156 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3i95 h GLU 156 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3i95 h GLU 156 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 179.01 178.17 3i95 h ILE 157 N 0.00 0.00 -3.79 -1.06 3.07 -1.86 -3.44 117.51 110.43 3i95 h ILE 157 Ca 0.07 -0.20 -0.48 0.00 1.55 0.00 0.00 64.86 65.79 3i95 h ILE 157 Cb 0.53 1.16 -0.02 0.00 -0.27 0.00 0.00 36.82 38.22 3i95 h ILE 157 CO -0.00 0.00 0.14 -0.36 -1.05 0.00 0.00 178.15 176.88 3i95 s PHE 158 N -3.91 3.37 1.01 0.16 0.40 -0.69 -4.21 117.98 114.12 3i95 s PHE 158 Ca -0.02 1.27 -0.13 0.00 -0.60 0.00 0.00 56.93 57.45 3i95 s PHE 158 Cb 0.11 -2.58 0.19 0.00 0.51 0.00 0.00 43.02 41.25 3i95 s PHE 158 CO 0.45 0.03 1.11 -1.54 0.70 0.00 0.00 175.22 175.97 3i95 s SER 159 N -2.35 2.54 0.31 1.36 1.04 -1.26 -4.92 113.70 110.42 3i95 s SER 159 Ca 0.55 1.03 0.23 0.00 0.48 0.00 0.00 55.95 58.25 3i95 s SER 159 Cb -0.10 -1.61 1.11 0.00 0.10 0.00 0.00 66.02 65.52 3i95 s SER 159 CO 0.18 -3.16 1.71 1.05 0.98 0.00 0.00 173.24 174.00 3i95 h GLU 160 N -1.92 0.00 -0.18 4.02 9.09 -1.94 -2.17 114.58 121.48 3i95 h GLU 160 Ca -0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.88 3i95 h GLU 160 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 3i95 h GLU 160 CO 0.55 0.00 0.00 0.66 0.05 0.00 0.00 179.01 180.27 3i95 n TYR 161 N -2.30 0.22 -1.71 2.06 4.02 -1.26 -4.97 117.16 113.23 3i95 n TYR 161 Ca 0.00 -0.11 -0.43 0.00 -0.01 0.00 0.00 57.90 57.35 3i95 n TYR 161 Cb 0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 3i95 n TYR 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i95 s LEU 163 N 0.01 4.33 -0.26 0.00 1.43 0.08 -4.97 118.68 119.29 3i95 s LEU 163 Ca 0.68 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3i95 s LEU 163 Cb -0.57 -2.11 0.14 0.00 0.03 0.00 0.00 46.19 43.68 3i95 s LEU 163 CO 0.47 0.32 0.37 0.12 0.23 0.00 0.00 176.35 177.85 3i95 s PHE 164 N -0.51 -0.81 0.11 0.29 5.99 -1.25 -1.74 117.98 120.07 3i95 s PHE 164 Ca 0.13 0.49 -0.02 0.00 0.00 0.00 0.00 56.93 57.54 3i95 s PHE 164 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 43.02 42.74 3i95 s PHE 164 CO 0.02 -0.83 0.06 0.96 -0.00 0.00 0.00 175.22 175.43 3i95 s ILE 165 N 2.51 0.13 -0.32 3.12 -4.36 -0.57 -0.87 121.20 120.84 3i95 s ILE 165 Ca 0.11 -1.83 -0.10 0.00 -0.26 0.00 0.00 60.65 58.57 3i95 s ILE 165 Cb -0.14 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.67 3i95 s ILE 165 CO -0.23 -0.58 0.17 -0.60 0.24 0.00 0.00 174.94 173.94 3i95 s ARG 166 N -4.01 3.33 0.36 0.37 3.52 -0.47 -1.07 118.95 120.98 3i95 s ARG 166 Ca 0.19 -0.73 -0.28 0.00 -0.13 0.00 0.00 55.73 54.78 3i95 s ARG 166 Cb 0.07 -3.61 -0.11 0.00 -1.56 0.00 0.00 34.95 29.74 3i95 s ARG 166 CO -0.01 -0.43 1.47 -2.14 -0.81 0.00 0.00 175.30 173.38 3i95 s PRO 167 N 1.63 4.14 0.15 5.12 0.02 -1.26 -4.29 135.00 140.51 3i95 s PRO 167 Ca 0.05 2.52 0.23 0.00 0.02 0.00 0.00 61.00 63.82 3i95 s PRO 167 Cb -0.17 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.38 3i95 s PRO 167 CO 0.07 -0.50 1.02 0.43 -0.33 0.00 0.00 177.00 177.69 3i95 n SER 168 N 0.69 0.71 -3.40 2.53 7.64 -1.26 -4.90 113.62 115.63 3i95 n SER 168 Ca 0.02 0.19 -0.03 0.00 1.01 0.00 0.00 58.87 60.05 3i95 n SER 168 Cb 0.39 0.62 0.01 0.00 -1.01 0.00 0.00 64.21 64.22 3i95 n SER 168 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i95 s ASN 169 N -4.93 -0.02 0.30 6.43 2.20 -1.26 -5.02 114.94 112.64 3i95 s ASN 169 Ca 0.00 -0.65 -0.01 0.00 -0.94 0.00 0.00 52.86 51.25 3i95 s ASN 169 Cb 0.11 0.51 0.46 0.00 -2.00 0.00 0.00 41.25 40.34 3i95 s ASN 169 CO 0.80 -1.01 1.96 0.58 -2.94 0.00 0.00 177.10 176.49 3i95 h VAL 170 N 2.00 1.21 -0.47 3.54 2.07 -1.99 -1.48 116.25 121.12 3i95 h VAL 170 Ca -0.27 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 66.88 3i95 h VAL 170 Cb 1.22 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3i95 h VAL 170 CO 0.35 0.21 0.20 0.74 0.02 0.00 0.00 177.57 179.08 3i95 h THR 171 N 1.05 0.89 -0.35 2.57 2.02 -1.99 -0.11 112.91 117.00 3i95 h THR 171 Ca 0.28 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.20 3i95 h THR 171 Cb -0.08 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3i95 h THR 171 CO -0.06 0.07 -0.30 -0.33 0.37 0.00 0.00 175.52 175.28 3i95 h GLU 172 N 0.39 0.73 -0.38 6.66 5.08 -1.84 0.03 114.58 125.25 3i95 h GLU 172 Ca 0.22 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3i95 h GLU 172 Cb 0.18 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3i95 h GLU 172 CO -0.19 0.94 0.13 0.93 -1.00 0.00 0.00 179.01 179.82 3i95 h GLU 173 N 0.63 0.28 -0.26 2.33 5.08 -0.77 -0.05 114.58 121.81 3i95 h GLU 173 Ca 0.07 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3i95 h GLU 173 Cb 0.81 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3i95 h GLU 173 CO 0.07 0.19 -0.41 0.93 -1.00 0.00 0.00 179.01 178.78 3i95 h GLU 174 N 0.29 0.63 -0.76 2.33 5.08 -0.83 -1.79 114.58 119.53 3i95 h GLU 174 Ca 0.18 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3i95 h GLU 174 Cb 0.16 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3i95 h GLU 174 CO -0.18 0.93 0.40 -0.09 -1.00 0.00 0.00 179.01 179.07 3i95 h ARG 175 N 0.52 1.08 -0.16 2.33 2.43 -0.71 -0.70 114.38 119.18 3i95 h ARG 175 Ca 0.04 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3i95 h ARG 175 Cb 0.94 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3i95 h ARG 175 CO 0.08 0.82 0.01 0.35 -1.51 0.00 0.00 179.97 179.72 3i95 h PHE 176 N 1.06 0.29 -0.76 2.20 3.04 -0.83 -1.33 116.94 120.62 3i95 h PHE 176 Ca 0.27 -0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.19 3i95 h PHE 176 Cb 0.07 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 3i95 h PHE 176 CO 0.00 0.48 0.49 0.28 -2.02 0.00 0.00 178.31 177.54 3i95 h VAL 177 N 0.02 1.14 -0.56 1.41 2.07 -1.16 -1.05 116.25 118.12 3i95 h VAL 177 Ca 0.05 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3i95 h VAL 177 Cb 0.36 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3i95 h VAL 177 CO 0.01 0.18 0.17 -0.61 0.02 0.00 0.00 177.57 177.34 3i95 h GLN 178 N 0.96 0.83 -0.46 1.57 5.75 -0.99 0.11 115.11 122.88 3i95 h GLN 178 Ca 0.29 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 3i95 h GLN 178 Cb -0.03 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 3i95 h GLN 178 CO -0.09 0.72 -0.13 -0.09 -2.65 0.00 0.00 178.83 176.58 3i95 h ARG 179 N 0.81 0.85 -0.60 1.69 9.65 -0.40 0.41 114.38 126.78 3i95 h ARG 179 Ca 0.19 -0.30 -0.02 0.00 -1.10 0.00 0.00 59.98 58.74 3i95 h ARG 179 Cb 0.23 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 3i95 h ARG 179 CO -0.01 0.93 0.28 0.28 2.80 0.00 0.00 179.97 184.25 3i95 h VAL 180 N 0.76 1.22 -0.64 0.20 2.07 -0.63 0.49 116.25 119.71 3i95 h VAL 180 Ca 0.12 -0.62 0.08 0.00 0.82 0.00 0.00 66.70 67.10 3i95 h VAL 180 Cb 0.65 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 3i95 h VAL 180 CO 0.05 0.25 0.30 0.58 0.02 0.00 0.00 177.57 178.76 3i95 h VAL 181 N 0.83 0.84 -0.65 2.57 2.07 -0.58 -0.29 116.25 121.04 3i95 h VAL 181 Ca 0.21 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3i95 h VAL 181 Cb 0.14 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3i95 h VAL 181 CO -0.02 0.10 0.27 0.44 0.02 0.00 0.00 177.57 178.37 3i95 h ASP 182 N 0.53 0.89 -0.46 0.57 3.32 -0.38 -1.03 116.42 119.86 3i95 h ASP 182 Ca 0.31 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3i95 h ASP 182 Cb 0.33 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3i95 h ASP 182 CO -0.26 0.81 0.30 -0.26 -1.72 0.00 0.00 179.24 178.11 3i95 h PHE 183 N 0.92 0.56 -0.59 4.55 -1.00 -0.24 -1.79 116.94 119.34 3i95 h PHE 183 Ca 0.22 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.95 3i95 h PHE 183 Cb 0.19 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 3i95 h PHE 183 CO 0.01 0.35 0.10 -0.07 -1.61 0.00 0.00 178.31 177.09 3i95 h LEU 184 N 0.61 0.90 -0.46 1.54 3.38 -0.81 -0.52 115.31 119.96 3i95 h LEU 184 Ca 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3i95 h LEU 184 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3i95 h LEU 184 CO -0.05 0.90 0.18 -0.61 0.09 0.00 0.00 178.44 178.95 3i95 h GLN 185 N 0.90 0.69 -0.31 1.13 4.15 -0.93 0.86 115.11 121.60 3i95 h GLN 185 Ca 0.19 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3i95 h GLN 185 Cb 0.39 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3i95 h GLN 185 CO 0.01 0.63 0.16 0.82 -1.93 0.00 0.00 178.83 178.52 3i95 h ILE 186 N 0.60 1.14 -0.30 2.39 2.04 -1.14 -1.87 117.51 120.35 3i95 h ILE 186 Ca 0.15 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3i95 h ILE 186 Cb 0.20 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3i95 h ILE 186 CO -0.01 0.14 0.15 -0.74 0.00 0.00 0.00 178.15 177.68 3i95 h HIS 187 N 0.37 0.44 -0.53 1.37 2.76 -0.83 0.23 115.15 118.96 3i95 h HIS 187 Ca 0.11 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 3i95 h HIS 187 Cb 0.07 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3i95 h HIS 187 CO -0.03 0.39 0.05 0.00 -1.30 0.00 0.00 177.93 177.04 3i95 h HIS 189 N 0.82 0.28 -0.10 0.00 6.17 -1.00 -2.90 115.15 118.42 3i95 h HIS 189 Ca 0.16 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.18 3i95 h HIS 189 Cb 0.42 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.28 3i95 h HIS 189 CO 0.02 0.53 0.03 1.96 0.71 0.00 0.00 177.93 181.19 3i95 h GLN 190 N -0.05 0.13 0.00 5.26 1.08 -0.76 -1.46 115.11 119.31 3i95 h GLN 190 Ca 0.03 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3i95 h GLN 190 Cb 0.44 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3i95 h GLN 190 CO 0.01 0.12 -0.12 0.66 -0.95 0.00 0.00 178.83 178.55 3i95 h SER 191 N 0.13 0.00 0.75 1.46 4.64 -1.02 -2.31 113.55 117.20 3i95 h SER 191 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i95 h SER 191 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3i95 h SER 191 CO -0.00 0.12 -0.37 2.30 -0.87 0.00 0.00 176.83 178.01 3i95 n ILE 192 N -4.18 0.10 0.59 0.95 -5.35 -0.55 -3.44 119.36 107.48 3i95 n ILE 192 Ca -0.02 -0.07 0.08 0.00 -0.27 0.00 0.00 62.75 62.47 3i95 n ILE 192 Cb 0.20 -0.05 0.08 0.00 -1.74 0.00 0.00 39.64 38.13 3i95 n ILE 192 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3i95 n VAL 193 N -1.65 0.08 -2.75 7.28 0.24 -0.94 -4.99 118.33 115.59 3i95 n VAL 193 Ca 0.05 -0.54 -0.41 0.00 -2.04 0.00 0.00 64.34 61.40 3i95 n VAL 193 Cb 0.36 1.27 -0.04 0.00 -1.47 0.00 0.00 33.84 33.96 3i95 n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i95 s ALA 194 N -1.31 3.24 0.25 2.33 0.00 -0.91 -5.06 121.76 120.29 3i95 s ALA 194 Ca 0.20 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.76 3i95 s ALA 194 Cb 0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3i95 s ALA 194 CO 0.20 -0.07 0.19 -1.83 0.00 0.00 0.00 175.76 174.26 3i95 s GLU 195 N 0.25 2.91 0.31 0.00 -1.05 -1.26 -5.05 118.70 114.82 3i95 s GLU 195 Ca 0.47 -1.06 -0.29 0.00 -0.15 0.00 0.00 54.97 53.94 3i95 s GLU 195 Cb -0.22 -2.56 -0.12 0.00 -0.44 0.00 0.00 34.13 30.79 3i95 s GLU 195 CO 0.29 0.40 1.48 -2.30 0.95 0.00 0.00 175.26 176.08 3i95 n PRO 196 N -1.17 2.48 -2.86 -4.83 -0.02 -1.26 -4.62 135.00 122.72 3i95 n PRO 196 Ca -0.08 0.88 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 3i95 n PRO 196 Cb 0.58 -2.59 0.05 0.00 -0.02 0.00 0.00 33.50 31.52 3i95 n PRO 196 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i95 s LEU 197 N -0.87 3.26 0.89 2.45 1.43 0.65 -5.01 118.68 121.48 3i95 s LEU 197 Ca 0.60 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3i95 s LEU 197 Cb -0.53 -2.21 0.12 0.00 0.03 0.00 0.00 46.19 43.60 3i95 s LEU 197 CO 0.55 -1.26 1.09 -0.94 0.23 0.00 0.00 176.35 176.03 3i95 s SER 198 N -4.55 3.50 0.23 2.29 1.04 -1.26 -4.75 113.70 110.21 3i95 s SER 198 Ca 0.60 1.60 -0.07 0.00 0.48 0.00 0.00 55.95 58.56 3i95 s SER 198 Cb -0.08 -2.27 0.28 0.00 0.10 0.00 0.00 66.02 64.05 3i95 s SER 198 CO 0.38 -2.64 1.86 -0.08 0.98 0.00 0.00 173.24 173.75 3i95 h GLU 199 N -1.55 0.98 -0.51 4.02 4.81 -1.99 0.14 114.58 120.49 3i95 h GLU 199 Ca -0.48 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.60 3i95 h GLU 199 Cb 1.27 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3i95 h GLU 199 CO 0.53 0.65 -0.03 0.00 -0.73 0.00 0.00 179.01 179.43 3i95 h ALA 200 N 1.37 0.98 -0.14 2.92 0.00 -1.99 -1.02 119.26 121.38 3i95 h ALA 200 Ca 0.35 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3i95 h ALA 200 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i95 h ALA 200 CO -0.14 0.62 -0.47 1.96 0.00 0.00 0.00 179.25 181.22 3i95 h GLN 201 N 0.82 0.57 -0.99 0.00 4.20 -1.82 -2.21 115.11 115.68 3i95 h GLN 201 Ca 0.15 -0.42 0.08 0.00 0.06 0.00 0.00 58.65 58.51 3i95 h GLN 201 Cb 0.53 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 3i95 h GLN 201 CO 0.03 1.05 0.63 1.15 -0.67 0.00 0.00 178.83 181.02 3i95 h THR 202 N 0.21 1.05 -0.11 -0.54 2.02 -0.56 -1.27 112.91 113.69 3i95 h THR 202 Ca -0.02 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3i95 h THR 202 Cb 1.10 -0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3i95 h THR 202 CO 0.10 0.20 0.04 0.25 0.37 0.00 0.00 175.52 176.48 3i95 h LEU 203 N 1.11 0.17 -0.32 2.58 5.85 -1.13 -0.65 115.31 122.90 3i95 h LEU 203 Ca 0.44 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3i95 h LEU 203 Cb 0.25 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3i95 h LEU 203 CO -0.19 0.32 -0.17 -0.08 -0.34 0.00 0.00 178.44 177.98 3i95 h GLU 204 N 0.00 -0.13 -0.21 1.25 4.81 -0.85 -1.77 114.58 117.68 3i95 h GLU 204 Ca 0.04 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 3i95 h GLU 204 Cb 0.22 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3i95 h GLU 204 CO -0.00 -0.08 -0.39 0.45 -0.73 0.00 0.00 179.01 178.26 3i95 h HIS 205 N -0.13 0.57 -0.59 0.92 3.86 -0.92 -1.15 115.15 117.72 3i95 h HIS 205 Ca 0.17 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3i95 h HIS 205 Cb 0.38 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 3i95 h HIS 205 CO -0.38 0.81 0.38 -0.09 0.86 0.00 0.00 177.93 179.50 3i95 h ARG 206 N 0.41 0.73 -0.71 2.45 2.43 -0.84 -1.89 114.38 116.96 3i95 h ARG 206 Ca 0.04 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3i95 h ARG 206 Cb 0.86 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3i95 h ARG 206 CO 0.07 0.49 0.29 1.96 -1.51 0.00 0.00 179.97 181.27 3i95 h GLN 207 N 0.76 1.04 -0.96 0.20 1.08 -0.34 0.50 115.11 117.39 3i95 h GLN 207 Ca 0.23 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3i95 h GLN 207 Cb -0.04 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 27.17 3i95 h GLN 207 CO -0.07 0.84 0.64 0.78 -0.95 0.00 0.00 178.83 180.07 3i95 h GLY 208 N 1.08 1.35 1.23 3.46 0.00 -0.90 -0.69 103.07 108.61 3i95 h GLY 208 Ca 0.24 -0.51 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 3i95 h GLY 208 CO -0.02 0.50 -0.61 -1.61 0.00 0.00 0.00 176.54 174.79 3i95 h GLN 209 N 1.30 0.79 -0.32 4.80 4.15 -0.69 -1.66 115.11 123.48 3i95 h GLN 209 Ca 0.35 -0.54 0.02 0.00 0.77 0.00 0.00 58.65 59.25 3i95 h GLN 209 Cb -0.15 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3i95 h GLN 209 CO -0.08 1.16 0.18 0.82 -1.93 0.00 0.00 178.83 178.98 3i95 h ILE 210 N 0.59 1.02 -0.67 2.39 2.04 -0.64 -1.88 117.51 120.35 3i95 h ILE 210 Ca -0.01 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3i95 h ILE 210 Cb 1.22 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3i95 h ILE 210 CO 0.13 0.07 0.33 -0.74 0.00 0.00 0.00 178.15 177.94 3i95 h HIS 211 N 0.36 0.95 -0.29 1.37 2.76 -1.05 -1.25 115.15 118.01 3i95 h HIS 211 Ca 0.13 -0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3i95 h HIS 211 Cb 0.01 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 28.63 3i95 h HIS 211 CO -0.08 0.71 -0.01 -0.92 -1.30 0.00 0.00 177.93 176.32 3i95 h TYR 212 N 0.93 -0.04 -0.68 5.26 3.20 -1.05 -0.75 116.97 123.85 3i95 h TYR 212 Ca 0.23 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 3i95 h TYR 212 Cb 0.10 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3i95 h TYR 212 CO 0.00 -0.06 0.26 0.00 -1.64 0.00 0.00 178.16 176.72 3i95 h GLN 214 N 0.97 1.07 -0.31 0.00 4.20 -0.89 -2.33 115.11 117.82 3i95 h GLN 214 Ca 0.23 -0.19 -0.16 0.00 0.06 0.00 0.00 58.65 58.59 3i95 h GLN 214 Cb 0.22 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3i95 h GLN 214 CO -0.02 0.87 -0.41 1.96 -0.67 0.00 0.00 178.83 180.56 3i95 h GLN 215 N 1.03 0.82 -0.40 1.46 1.08 -0.97 -2.99 115.11 115.14 3i95 h GLN 215 Ca 0.24 -0.48 0.06 0.00 -1.45 0.00 0.00 58.65 57.03 3i95 h GLN 215 Cb 0.20 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3i95 h GLN 215 CO -0.02 1.11 0.27 1.96 -0.95 0.00 0.00 178.83 181.20 3i95 h GLN 216 N 0.60 0.26 0.00 1.46 1.08 -1.03 -0.94 115.11 116.54 3i95 h GLN 216 Ca 0.04 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3i95 h GLN 216 Cb 1.01 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 3i95 h GLN 216 CO 0.10 0.17 0.00 1.04 -0.95 0.00 0.00 178.83 179.19 3i95 n GLN 217 N -4.47 0.02 0.00 1.46 6.02 -0.89 -2.08 117.38 117.44 3i95 n GLN 217 Ca 0.05 0.25 0.15 0.00 -0.01 0.00 0.00 57.00 57.45 3i95 n GLN 217 Cb 0.28 -1.53 0.80 0.00 1.02 0.00 0.00 30.24 30.82 3i95 n GLN 217 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i95 n LYS 218 N -1.56 0.98 -2.54 -1.09 5.02 -0.36 -4.77 118.16 113.85 3i95 n LYS 218 Ca 0.04 -0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 55.72 3i95 n LYS 218 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3i95 n LYS 218 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i95 s ASN 219 N -2.15 6.16 0.32 4.39 3.84 -0.88 -4.85 114.94 121.77 3i95 s ASN 219 Ca 0.41 -0.49 0.26 0.00 0.21 0.00 0.00 52.86 53.25 3i95 s ASN 219 Cb 0.21 -2.56 1.01 0.00 -0.55 0.00 0.00 41.25 39.37 3i95 s ASN 219 CO 0.39 -1.83 1.77 0.44 -2.79 0.00 0.00 177.10 175.08 3i95 h ASP 220 N 10.12 0.00 -0.26 -4.21 3.45 -1.90 -2.72 116.42 120.89 3i95 h ASP 220 Ca -0.25 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.18 3i95 h ASP 220 Cb 1.05 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 3i95 h ASP 220 CO 1.29 0.00 0.08 0.11 -1.57 0.00 0.00 179.24 179.14 3i95 h LYS 221 N 0.00 0.41 -0.04 3.56 1.79 -1.99 -0.52 116.57 119.77 3i95 h LYS 221 Ca 0.00 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3i95 h LYS 221 Cb 0.47 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3i95 h LYS 221 CO 0.00 0.49 0.02 1.15 -1.08 0.00 0.00 179.45 180.03 3i95 h THR 222 N 0.26 1.13 -0.71 -0.16 2.02 -1.94 -3.17 112.91 110.34 3i95 h THR 222 Ca 0.08 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.90 3i95 h THR 222 Cb 0.25 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3i95 h THR 222 CO -0.00 0.11 0.45 -0.09 0.37 0.00 0.00 175.52 176.35 3i95 h ARG 223 N -0.08 0.86 -0.66 6.66 2.43 -1.30 -1.75 114.38 120.53 3i95 h ARG 223 Ca 0.02 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3i95 h ARG 223 Cb 0.16 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3i95 h ARG 223 CO -0.00 0.57 0.24 0.00 -1.51 0.00 0.00 179.97 179.27 3i95 h ARG 224 N 0.89 1.00 -0.29 0.20 2.47 -1.16 0.96 114.38 118.46 3i95 h ARG 224 Ca 0.28 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3i95 h ARG 224 Cb -0.01 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 3i95 h ARG 224 CO -0.10 0.86 0.18 0.28 0.56 0.00 0.00 179.97 181.75 3i95 h VAL 225 N 0.94 1.09 -0.60 2.04 2.07 -1.39 -0.85 116.25 119.55 3i95 h VAL 225 Ca 0.22 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3i95 h VAL 225 Cb 0.25 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3i95 h VAL 225 CO -0.01 0.09 0.24 -0.07 0.02 0.00 0.00 177.57 177.83 3i95 h LEU 226 N 0.37 0.82 -0.91 2.57 3.38 -1.00 -2.96 115.31 117.58 3i95 h LEU 226 Ca 0.10 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3i95 h LEU 226 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3i95 h LEU 226 CO -0.02 0.76 0.03 -0.33 0.09 0.00 0.00 178.44 178.97 3i95 h GLU 227 N 0.82 0.83 0.00 1.13 5.08 -0.51 -0.15 114.58 121.78 3i95 h GLU 227 Ca 0.20 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3i95 h GLU 227 Cb 0.20 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3i95 h GLU 227 CO -0.02 0.82 -0.13 0.87 -1.00 0.00 0.00 179.01 179.55 3i95 h LYS 228 N 0.78 0.00 0.00 2.33 1.79 -0.99 0.62 116.57 121.11 3i95 h LYS 228 Ca 0.16 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.26 3i95 h LYS 228 Cb 0.43 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.01 3i95 h LYS 228 CO 0.02 0.13 -2.39 0.00 -1.08 0.00 0.00 179.45 176.13 3i95 n ALA 229 N -2.29 1.49 0.00 3.86 0.00 -0.98 -4.01 120.51 118.58 3i95 n ALA 229 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3i95 n ALA 229 Cb 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3i95 n ALA 229 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i95 n PHE 230 N -2.80 0.00 0.00 0.00 3.01 -0.11 -2.34 117.46 115.23 3i95 n PHE 230 Ca -0.34 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.12 3i95 n PHE 230 Cb 1.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.61 3i95 n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i95 n GLY 231 N 0.83 0.22 0.08 1.37 0.00 0.20 -4.44 105.19 103.44 3i95 n GLY 231 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 3i95 n GLY 231 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i95 h GLU 232 N 0.00 0.14 -0.39 1.61 4.81 -1.92 -1.54 114.58 117.29 3i95 h GLU 232 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3i95 h GLU 232 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3i95 h GLU 232 CO 0.00 0.18 -0.02 0.00 -0.73 0.00 0.00 179.01 178.44 3i95 h ALA 233 N 0.95 0.52 -0.36 2.92 0.00 -1.99 -0.58 119.26 120.72 3i95 h ALA 233 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3i95 h ALA 233 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3i95 h ALA 233 CO -0.01 0.32 0.21 2.35 0.00 0.00 0.00 179.25 182.12 3i95 h TRP 234 N 0.51 0.38 -0.77 0.00 7.01 -1.76 -1.21 115.95 120.12 3i95 h TRP 234 Ca 0.11 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 3i95 h TRP 234 Cb 0.51 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 3i95 h TRP 234 CO 0.04 0.22 0.41 0.00 -2.79 0.00 0.00 178.44 176.33 3i95 h ALA 235 N 1.16 0.98 -0.42 2.65 0.00 -1.01 0.95 119.26 123.59 3i95 h ALA 235 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i95 h ALA 235 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3i95 h ALA 235 CO -0.07 0.51 0.17 1.49 0.00 0.00 0.00 179.25 181.35 3i95 h GLU 236 N 1.07 0.62 -0.68 0.00 4.57 -0.87 -0.10 114.58 119.18 3i95 h GLU 236 Ca 0.27 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.31 3i95 h GLU 236 Cb 0.05 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 3i95 h GLU 236 CO -0.04 0.57 0.30 -0.09 -1.18 0.00 0.00 179.01 178.56 3i95 h ARG 237 N 0.53 1.01 -0.15 1.92 2.43 -0.85 -1.55 114.38 117.72 3i95 h ARG 237 Ca 0.14 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3i95 h ARG 237 Cb 0.18 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3i95 h ARG 237 CO -0.01 0.82 0.02 -0.92 -1.51 0.00 0.00 179.97 178.37 3i95 h TYR 238 N 0.96 0.26 -0.64 2.20 3.20 -0.56 1.00 116.97 123.40 3i95 h TYR 238 Ca 0.23 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 3i95 h TYR 238 Cb 0.17 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3i95 h TYR 238 CO 0.01 0.43 0.05 0.52 -1.64 0.00 0.00 178.16 177.53 3i95 h MET 239 N 0.02 1.08 0.00 1.82 2.86 -0.99 0.27 114.93 120.00 3i95 h MET 239 Ca 0.04 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 3i95 h MET 239 Cb 0.31 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3i95 h MET 239 CO 0.00 1.03 -0.77 0.66 1.06 0.00 0.00 176.91 178.89 3i95 h SER 240 N 1.00 0.00 0.00 1.22 4.64 -1.22 -0.16 113.55 119.03 3i95 h SER 240 Ca 0.19 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 3i95 h SER 240 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3i95 h SER 240 CO 0.02 0.35 -1.38 0.00 -0.87 0.00 0.00 176.83 174.95 3i95 n GLN 241 N -3.01 2.63 -0.13 4.77 1.13 0.34 -3.71 117.38 119.40 3i95 n GLN 241 Ca -0.01 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.77 3i95 n GLN 241 Cb 0.70 -1.14 -0.09 0.00 0.11 0.00 0.00 30.24 29.81 3i95 n GLN 241 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3i95 n VAL 242 N -2.28 1.50 -0.03 5.09 0.31 -0.13 -4.59 118.33 118.20 3i95 n VAL 242 Ca -0.09 -0.35 -0.02 0.00 -0.01 0.00 0.00 64.34 63.86 3i95 n VAL 242 Cb 0.67 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 3i95 n VAL 242 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i95 h LEU 243 N -0.98 -0.05 -6.09 7.52 3.38 -1.13 -3.43 115.31 114.54 3i95 h LEU 243 Ca -0.66 -0.10 -0.59 0.00 0.09 0.00 0.00 57.88 56.62 3i95 h LEU 243 Cb 1.57 0.01 -0.41 0.00 0.09 0.00 0.00 40.66 41.92 3i95 h LEU 243 CO -0.40 0.49 -0.70 0.49 0.09 0.00 0.00 178.44 178.42 3i95 n PHE 244 N -4.80 2.93 -2.37 1.13 3.01 -0.07 -5.04 117.46 112.24 3i95 n PHE 244 Ca -0.02 -4.04 -0.42 0.00 1.01 0.00 0.00 57.45 53.99 3i95 n PHE 244 Cb 0.07 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.00 3i95 n PHE 244 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3i95 s ASP 245 N -2.33 7.01 -0.34 4.37 -4.77 -1.24 -4.61 116.67 114.76 3i95 s ASP 245 Ca 0.40 2.04 -0.26 0.00 -3.30 0.00 0.00 52.55 51.43 3i95 s ASP 245 Cb 0.17 -2.58 0.01 0.00 -1.09 0.00 0.00 42.92 39.43 3i95 s ASP 245 CO -0.04 -0.54 0.92 -0.69 0.70 0.00 0.00 175.17 175.52 3i95 s VAL 246 N 1.37 4.63 0.39 2.11 1.01 -1.26 -4.93 120.40 123.72 3i95 s VAL 246 Ca 0.60 1.30 -0.24 0.00 0.00 0.00 0.00 61.98 63.64 3i95 s VAL 246 Cb -0.30 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.69 3i95 s VAL 246 CO 0.28 -0.44 1.05 0.27 0.00 0.00 0.00 175.10 176.26 3i95 s ILE 247 N 3.36 3.74 0.00 2.22 -4.36 -1.26 -5.10 121.20 119.79 3i95 s ILE 247 Ca 0.38 1.35 0.00 0.00 -0.26 0.00 0.00 60.65 62.12 3i95 s ILE 247 Cb -0.13 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 39.88 3i95 s ILE 247 CO 0.16 0.03 0.00 1.67 0.24 0.00 0.00 174.94 177.04