#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ial s PHE 39 N 0.00 3.27 -0.42 1.09 2.19 -1.26 -4.91 117.98 117.93 3ial s PHE 39 Ca 0.00 0.77 0.08 0.00 0.33 0.00 0.00 56.93 58.11 3ial s PHE 39 Cb 0.00 -2.88 0.36 0.00 -1.31 0.00 0.00 43.02 39.19 3ial s PHE 39 CO 0.00 -0.36 1.21 0.45 1.83 0.00 0.00 175.22 178.35 3ial n SER 40 N 5.76 -1.86 -4.70 6.13 2.88 -1.26 -4.88 113.62 115.68 3ial n SER 40 Ca -0.01 -3.04 -0.36 0.00 -1.33 0.00 0.00 58.87 54.13 3ial n SER 40 Cb 0.49 1.30 -0.08 0.00 -0.75 0.00 0.00 64.21 65.17 3ial n SER 40 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ial s LEU 41 N -2.76 4.17 0.55 2.46 1.43 -1.20 -5.00 118.68 118.34 3ial s LEU 41 Ca 0.23 0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.42 3ial s LEU 41 Cb 0.35 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3ial s LEU 41 CO -0.07 0.08 1.18 0.28 0.23 0.00 0.00 176.35 178.05 3ial s THR 42 N 0.78 2.89 -0.56 5.49 -1.32 -1.26 -4.16 115.64 117.49 3ial s THR 42 Ca 0.11 0.58 -0.06 0.00 -1.21 0.00 0.00 61.69 61.12 3ial s THR 42 Cb -0.13 -3.25 0.15 0.00 -1.51 0.00 0.00 72.50 67.76 3ial s THR 42 CO 0.03 -0.09 0.40 -0.75 -2.21 0.00 0.00 174.62 172.00 3ial s LYS 43 N -3.17 2.55 0.49 7.08 2.20 -1.26 -4.78 119.74 122.84 3ial s LYS 43 Ca 0.73 -2.18 0.03 0.00 -0.36 0.00 0.00 55.97 54.20 3ial s LYS 43 Cb -0.28 -3.83 -0.02 0.00 -1.51 0.00 0.00 37.83 32.18 3ial s LYS 43 CO 0.32 -1.17 0.07 0.95 -0.36 0.00 0.00 175.35 175.15 3ial s THR 44 N 0.59 1.48 0.40 3.43 -4.23 -1.26 -4.95 115.64 111.09 3ial s THR 44 Ca 0.12 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.80 3ial s THR 44 Cb -0.21 -2.39 0.29 0.00 1.34 0.00 0.00 72.50 71.53 3ial s THR 44 CO -0.04 0.00 2.02 -0.09 -0.54 0.00 0.00 174.62 175.97 3ial h ARG 45 N 1.36 0.57 0.03 3.99 2.43 -1.92 -0.77 114.38 120.07 3ial h ARG 45 Ca -0.43 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.43 3ial h ARG 45 Cb 1.29 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 3ial h ARG 45 CO 0.73 0.38 -1.45 -0.44 -1.51 0.00 0.00 179.97 177.67 3ial h ASP 46 N 0.58 0.11 0.06 -3.80 3.32 -1.91 -3.37 116.42 111.42 3ial h ASP 46 Ca 0.22 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ial h ASP 46 Cb 0.15 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3ial h ASP 46 CO -0.06 1.15 -0.40 0.35 -1.72 0.00 0.00 179.24 178.55 3ial n THR 47 N -3.26 0.00 -0.16 0.35 -2.24 -1.14 -4.64 114.28 103.19 3ial n THR 47 Ca -0.12 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.38 3ial n THR 47 Cb 1.01 0.99 0.04 0.00 -2.10 0.00 0.00 70.33 70.27 3ial n THR 47 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3ial h PHE 48 N 2.09 0.50 -0.51 4.78 3.57 -1.30 -0.15 116.94 125.91 3ial h PHE 48 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 3ial h PHE 48 Cb 0.68 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.20 3ial h PHE 48 CO 0.00 0.27 0.11 0.00 -2.23 0.00 0.00 178.31 176.46 3ial h ALA 49 N 1.23 0.58 -0.31 2.41 0.00 -1.86 0.27 119.26 121.58 3ial h ALA 49 Ca 0.20 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 3ial h ALA 49 Cb 0.06 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ial h ALA 49 CO -0.11 -0.30 -0.34 -0.44 0.00 0.00 0.00 179.25 178.05 3ial h ASP 50 N 0.24 0.84 -0.96 0.00 3.32 -1.79 -2.77 116.42 115.30 3ial h ASP 50 Ca 0.26 -0.48 0.12 0.00 0.02 0.00 0.00 57.03 56.95 3ial h ASP 50 Cb 0.35 -0.24 -0.08 0.00 0.22 0.00 0.00 39.33 39.58 3ial h ASP 50 CO -0.33 1.15 0.59 -0.25 -1.72 0.00 0.00 179.24 178.67 3ial h TRP 51 N 0.54 1.06 -0.13 4.55 7.01 -0.39 0.74 115.95 129.33 3ial h TRP 51 Ca 0.04 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 3ial h TRP 51 Cb 0.93 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.65 3ial h TRP 51 CO 0.07 0.40 -0.09 0.35 -2.79 0.00 0.00 178.44 176.38 3ial h PHE 52 N 0.92 0.34 -0.34 2.65 3.57 -0.91 -1.29 116.94 121.87 3ial h PHE 52 Ca 0.48 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3ial h PHE 52 Cb 0.50 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3ial h PHE 52 CO -0.02 0.65 0.22 -0.44 -2.23 0.00 0.00 178.31 176.49 3ial h ASP 53 N -0.07 0.41 -0.43 0.41 3.32 -1.18 -2.11 116.42 116.77 3ial h ASP 53 Ca 0.03 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3ial h ASP 53 Cb 0.58 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3ial h ASP 53 CO 0.02 0.32 0.23 0.00 -1.72 0.00 0.00 179.24 178.09 3ial h ALA 54 N 1.10 0.55 0.00 3.45 0.00 -0.81 -3.04 119.26 120.51 3ial h ALA 54 Ca 0.12 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3ial h ALA 54 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ial h ALA 54 CO -0.02 0.09 -0.75 0.97 0.00 0.00 0.00 179.25 179.54 3ial h ILE 55 N 0.56 1.48 -0.73 0.00 6.09 -1.22 -0.20 117.51 123.49 3ial h ILE 55 Ca 0.15 -2.61 0.11 0.00 -1.37 0.00 0.00 64.86 61.14 3ial h ILE 55 Cb 0.08 2.43 -0.08 0.00 0.47 0.00 0.00 36.82 39.72 3ial h ILE 55 CO -0.02 0.73 0.34 0.24 -3.07 0.00 0.00 178.15 176.37 3ial h MET 56 N 0.00 0.53 0.00 2.19 2.86 -1.30 -1.34 114.93 117.87 3ial h MET 56 Ca -0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3ial h MET 56 Cb 1.37 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 3ial h MET 56 CO 0.10 0.35 -0.13 -0.44 1.06 0.00 0.00 176.91 177.84 3ial h ASP 57 N 0.54 0.00 -0.51 1.22 3.32 -1.40 -1.07 116.42 118.52 3ial h ASP 57 Ca 0.38 -0.90 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 3ial h ASP 57 Cb 0.47 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3ial h ASP 57 CO -0.32 1.03 0.27 0.00 -1.72 0.00 0.00 179.24 178.50 3ial h ALA 58 N -0.10 1.47 -0.00 3.45 0.00 -1.04 -0.98 119.26 122.05 3ial h ALA 58 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ial h ALA 58 Cb 0.98 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ial h ALA 58 CO -0.02 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.50 3ial n ALA 59 N -2.45 2.81 -3.56 0.00 0.00 -0.51 -4.95 120.51 111.85 3ial n ALA 59 Ca 0.05 -0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 3ial n ALA 59 Cb 0.11 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.32 3ial n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ial n GLU 60 N -1.16 -6.93 -0.05 0.00 1.02 -0.37 -4.83 120.64 108.33 3ial n GLU 60 Ca 0.11 0.80 -0.14 0.00 -0.02 0.00 0.00 57.16 57.91 3ial n GLU 60 Cb 0.30 -5.78 -0.12 0.00 -0.02 0.00 0.00 31.44 25.81 3ial n GLU 60 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ial h LEU 61 N -2.23 0.06 -8.92 -4.62 3.38 -1.45 -3.36 115.31 98.18 3ial h LEU 61 Ca -0.58 -0.89 -0.37 0.00 0.09 0.00 0.00 57.88 56.13 3ial h LEU 61 Cb 1.36 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.95 3ial h LEU 61 CO 0.54 0.95 -0.60 0.68 0.09 0.00 0.00 178.44 180.10 3ial s VAL 62 N -2.65 0.49 -0.20 1.22 -7.23 -1.22 -1.49 120.40 109.31 3ial s VAL 62 Ca -0.18 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 57.98 3ial s VAL 62 Cb -0.02 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.38 3ial s VAL 62 CO 0.70 0.00 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.86 3ial s ASP 63 N -3.33 3.24 0.00 4.85 -1.08 0.01 -4.68 116.67 115.67 3ial s ASP 63 Ca 0.37 -0.92 0.26 0.00 -0.52 0.00 0.00 52.55 51.75 3ial s ASP 63 Cb 0.07 -0.89 1.15 0.00 -1.46 0.00 0.00 42.92 41.79 3ial s ASP 63 CO 0.15 -0.25 1.85 0.54 0.52 0.00 0.00 175.17 177.97 3ial n ARG 64 N 4.87 0.04 0.00 4.34 1.74 -1.26 -2.33 116.66 124.06 3ial n ARG 64 Ca -0.11 0.05 0.16 0.00 -0.77 0.00 0.00 57.85 57.18 3ial n ARG 64 Cb 0.46 -1.50 0.93 0.00 -1.02 0.00 0.00 32.46 31.33 3ial n ARG 64 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ial n ARG 65 N -1.48 0.97 -2.00 5.56 1.74 -1.26 -4.69 116.66 115.51 3ial n ARG 65 Ca 0.07 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 3ial n ARG 65 Cb 0.30 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3ial n ARG 65 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3ial s TYR 66 N -2.01 1.97 -0.14 -1.55 5.04 -1.25 -4.88 117.35 114.53 3ial s TYR 66 Ca 0.47 0.18 -0.01 0.00 -2.44 0.00 0.00 57.07 55.27 3ial s TYR 66 Cb 0.21 -3.92 0.06 0.00 0.35 0.00 0.00 41.96 38.67 3ial s TYR 66 CO 0.36 -3.88 2.18 -0.35 -1.34 0.00 0.00 175.55 172.52 3ial n PRO 67 N 7.12 1.46 -4.44 4.97 -0.04 -1.26 -4.62 135.00 138.19 3ial n PRO 67 Ca 0.17 -0.80 -0.31 0.00 -0.04 0.00 0.00 63.50 62.52 3ial n PRO 67 Cb 0.43 -1.37 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 3ial n PRO 67 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ial s VAL 68 N -0.91 1.83 0.24 0.52 1.01 -1.26 -5.11 120.40 116.72 3ial s VAL 68 Ca 0.20 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 61.05 3ial s VAL 68 Cb 0.14 -1.65 -0.11 0.00 0.00 0.00 0.00 36.38 34.76 3ial s VAL 68 CO -0.01 0.50 1.59 -0.75 0.00 0.00 0.00 175.10 176.44 3ial s LYS 69 N 1.03 4.17 0.00 2.72 2.20 -1.26 -1.92 119.74 126.68 3ial s LYS 69 Ca -0.03 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 3ial s LYS 69 Cb -0.15 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3ial s LYS 69 CO -0.05 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 3ial n GLY 70 N 2.97 0.37 3.02 5.54 0.00 -1.26 -4.68 105.19 111.14 3ial n GLY 70 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3ial n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ial s VAL 72 N 0.72 4.19 0.09 0.00 -7.23 -1.26 -4.59 120.40 112.31 3ial s VAL 72 Ca 0.12 -1.04 -0.28 0.00 -1.81 0.00 0.00 61.98 58.97 3ial s VAL 72 Cb -0.20 -3.05 -0.06 0.00 0.56 0.00 0.00 36.38 33.62 3ial s VAL 72 CO -0.06 0.03 0.87 -0.69 -0.31 0.00 0.00 175.10 174.93 3ial s VAL 73 N -1.50 4.57 -0.46 1.32 1.01 -0.99 -4.90 120.40 119.45 3ial s VAL 73 Ca 0.28 1.87 -0.24 0.00 0.00 0.00 0.00 61.98 63.88 3ial s VAL 73 Cb -0.11 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.07 3ial s VAL 73 CO 0.20 0.36 0.85 -0.36 0.00 0.00 0.00 175.10 176.16 3ial s PHE 74 N -0.16 2.95 0.74 5.22 0.08 -1.26 -0.81 117.98 124.73 3ial s PHE 74 Ca 0.42 0.23 -0.12 0.00 0.12 0.00 0.00 56.93 57.59 3ial s PHE 74 Cb -0.22 -3.83 0.03 0.00 -0.57 0.00 0.00 43.02 38.44 3ial s PHE 74 CO 0.27 -1.07 1.11 1.03 -0.10 0.00 0.00 175.22 176.46 3ial s ARG 75 N 3.53 2.59 0.24 0.44 0.52 -0.56 -4.66 118.95 121.05 3ial s ARG 75 Ca 0.33 0.44 -0.06 0.00 -0.52 0.00 0.00 55.73 55.92 3ial s ARG 75 Cb -0.11 -1.99 0.42 0.00 0.52 0.00 0.00 34.95 33.79 3ial s ARG 75 CO 0.24 -1.22 1.70 -1.35 0.02 0.00 0.00 175.30 174.69 3ial h PRO 76 N -0.79 0.30 -0.39 3.54 0.11 -1.84 0.19 132.00 133.11 3ial h PRO 76 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 3ial h PRO 76 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3ial h PRO 76 CO 0.63 0.20 -0.23 -0.92 -0.21 0.00 0.00 178.00 177.47 3ial h TYR 77 N 0.31 0.90 -0.11 0.65 3.20 -1.86 -1.72 116.97 118.34 3ial h TYR 77 Ca 0.39 -0.21 -0.23 0.00 3.14 0.00 0.00 58.73 61.82 3ial h TYR 77 Cb 0.63 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.70 3ial h TYR 77 CO -0.23 0.94 -0.84 0.78 -1.64 0.00 0.00 178.16 177.17 3ial h GLY 78 N 0.96 0.85 1.64 1.82 0.00 -1.40 -3.32 103.07 103.62 3ial h GLY 78 Ca 0.09 -1.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.06 3ial h GLY 78 CO 0.06 1.13 -0.26 -2.75 0.00 0.00 0.00 176.54 174.72 3ial h PHE 79 N 0.49 0.47 -0.84 5.60 3.57 -0.51 -2.01 116.94 123.71 3ial h PHE 79 Ca -0.07 -0.10 0.14 0.00 3.53 0.00 0.00 57.97 61.47 3ial h PHE 79 Cb 1.48 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 40.02 3ial h PHE 79 CO 0.09 0.64 0.43 0.35 -2.23 0.00 0.00 178.31 177.60 3ial h PHE 80 N 0.37 0.75 0.22 0.41 3.57 -1.41 0.13 116.94 120.99 3ial h PHE 80 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3ial h PHE 80 Cb 0.65 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3ial h PHE 80 CO 0.02 0.19 -0.11 0.52 -2.23 0.00 0.00 178.31 176.70 3ial h MET 81 N 0.63 -0.29 -0.92 1.11 2.86 -1.48 -0.07 114.93 116.76 3ial h MET 81 Ca 0.45 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 58.17 3ial h MET 81 Cb 0.62 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 3ial h MET 81 CO -0.35 0.06 0.58 1.49 1.06 0.00 0.00 176.91 179.75 3ial h GLU 82 N -0.68 1.03 -0.52 1.72 4.57 -1.37 -2.03 114.58 117.29 3ial h GLU 82 Ca -0.03 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 57.96 3ial h GLU 82 Cb 0.48 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3ial h GLU 82 CO 0.05 0.68 -0.17 -0.97 -1.18 0.00 0.00 179.01 177.42 3ial h ASN 83 N 1.06 1.04 -0.94 1.04 -0.73 -0.84 -1.99 115.58 114.22 3ial h ASN 83 Ca 0.40 -0.38 0.02 0.00 1.87 0.00 0.00 56.30 58.22 3ial h ASN 83 Cb 0.18 -0.29 -0.05 0.00 0.27 0.00 0.00 38.32 38.43 3ial h ASN 83 CO -0.18 1.18 0.62 0.00 -0.37 0.00 0.00 177.43 178.68 3ial h ALA 84 N 0.89 1.21 -0.22 1.57 0.00 -0.55 -0.31 119.26 121.87 3ial h ALA 84 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3ial h ALA 84 Cb 0.75 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ial h ALA 84 CO 0.06 0.54 -0.10 0.82 0.00 0.00 0.00 179.25 180.57 3ial h ILE 85 N 1.23 1.30 -0.23 0.00 2.04 -1.17 -2.06 117.51 118.62 3ial h ILE 85 Ca 0.36 -1.16 -0.18 0.00 1.00 0.00 0.00 64.86 64.87 3ial h ILE 85 Cb -0.08 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3ial h ILE 85 CO -0.10 0.36 -0.57 0.24 0.00 0.00 0.00 178.15 178.08 3ial h MET 86 N 0.16 0.74 -0.62 2.37 2.86 -1.25 -1.99 114.93 117.20 3ial h MET 86 Ca 0.05 -0.48 0.03 0.00 -2.06 0.00 0.00 59.70 57.23 3ial h MET 86 Cb 0.59 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3ial h MET 86 CO 0.03 1.11 0.38 0.00 1.06 0.00 0.00 176.91 179.48 3ial h ARG 87 N 0.56 0.72 -0.52 1.72 2.47 -1.08 0.12 114.38 118.36 3ial h ARG 87 Ca 0.01 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3ial h ARG 87 Cb 1.16 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.28 3ial h ARG 87 CO 0.12 0.47 0.30 1.25 0.56 0.00 0.00 179.97 182.67 3ial h LEU 88 N 0.74 0.47 -0.42 3.04 5.85 -1.24 0.63 115.31 124.38 3ial h LEU 88 Ca 0.25 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3ial h LEU 88 Cb 0.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3ial h LEU 88 CO -0.11 0.33 0.24 0.00 -0.34 0.00 0.00 178.44 178.56 3ial h GLU 90 N 0.55 0.24 -0.48 0.00 5.08 -0.52 -0.22 114.58 119.23 3ial h GLU 90 Ca 0.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3ial h GLU 90 Cb 0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3ial h GLU 90 CO -0.03 0.16 0.28 0.93 -1.00 0.00 0.00 179.01 179.35 3ial h GLU 91 N 0.25 0.66 -0.39 2.33 5.08 -0.49 -0.81 114.58 121.20 3ial h GLU 91 Ca 0.14 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 3ial h GLU 91 Cb 0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ial h GLU 91 CO -0.15 0.50 -0.20 0.93 -1.00 0.00 0.00 179.01 179.09 3ial h GLU 92 N 0.64 0.83 -0.42 2.33 4.39 -0.84 -2.12 114.58 119.38 3ial h GLU 92 Ca 0.17 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.52 3ial h GLU 92 Cb 0.02 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3ial h GLU 92 CO -0.03 1.00 0.27 1.88 -1.16 0.00 0.00 179.01 180.97 3ial h TYR 93 N 0.63 0.51 -0.95 4.33 0.05 -0.91 -2.31 116.97 118.31 3ial h TYR 93 Ca 0.09 0.01 0.14 0.00 0.05 0.00 0.00 58.73 59.02 3ial h TYR 93 Cb 0.75 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 38.24 3ial h TYR 93 CO 0.06 0.31 0.60 0.00 -1.05 0.00 0.00 178.16 178.08 3ial h ALA 94 N 1.17 1.68 0.00 3.88 0.00 -0.95 -1.03 119.26 124.00 3ial h ALA 94 Ca 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ial h ALA 94 Cb -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ial h ALA 94 CO -0.05 0.07 -0.10 0.87 0.00 0.00 0.00 179.25 180.04 3ial h LYS 95 N 0.84 0.00 -0.31 0.00 1.57 -0.82 -2.88 116.57 114.97 3ial h LYS 95 Ca 0.48 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.13 3ial h LYS 95 Cb 0.63 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 3ial h LYS 95 CO -0.25 0.10 -0.06 1.33 -0.57 0.00 0.00 179.45 180.00 3ial n VAL 96 N -3.33 2.46 -1.21 0.50 0.24 -0.56 -4.97 118.33 111.45 3ial n VAL 96 Ca -0.01 -2.52 0.00 0.00 -2.04 0.00 0.00 64.34 59.77 3ial n VAL 96 Cb 0.30 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3ial n VAL 96 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ial n GLY 97 N -1.00 0.41 3.41 7.63 0.00 -1.00 -5.03 105.19 109.60 3ial n GLY 97 Ca 0.30 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3ial n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ial s ILE 98 N -2.00 4.27 -0.00 -0.61 1.01 -0.50 -4.66 121.20 118.71 3ial s ILE 98 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 3ial s ILE 98 Cb 0.00 -3.13 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 3ial s ILE 98 CO 0.00 0.16 0.39 -0.44 0.00 0.00 0.00 174.94 175.06 3ial s SER 99 N 1.57 6.78 0.19 3.58 0.01 -0.66 -3.19 113.70 121.98 3ial s SER 99 Ca 0.05 0.93 -0.30 0.00 1.31 0.00 0.00 55.95 57.93 3ial s SER 99 Cb -0.16 -2.24 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 3ial s SER 99 CO 0.04 0.32 0.99 -1.58 0.41 0.00 0.00 173.24 173.43 3ial s GLN 100 N -1.13 4.74 0.35 12.44 0.74 -1.26 -1.36 119.66 134.17 3ial s GLN 100 Ca 0.24 1.56 0.06 0.00 0.05 0.00 0.00 55.36 57.27 3ial s GLN 100 Cb -0.16 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 3ial s GLN 100 CO 0.13 0.31 0.24 0.96 -0.55 0.00 0.00 175.29 176.38 3ial s ILE 101 N -0.65 0.13 -0.15 -2.34 -4.36 0.00 -4.90 121.20 108.94 3ial s ILE 101 Ca 0.45 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.79 3ial s ILE 101 Cb -0.27 -2.45 0.07 0.00 1.25 0.00 0.00 42.46 41.06 3ial s ILE 101 CO 0.33 0.00 0.28 -0.22 0.24 0.00 0.00 174.94 175.57 3ial s LEU 102 N -3.43 -0.33 0.40 0.37 2.96 -1.26 -4.37 118.68 113.02 3ial s LEU 102 Ca 0.36 0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 54.82 3ial s LEU 102 Cb 0.02 0.75 -0.02 0.00 0.50 0.00 0.00 46.19 47.44 3ial s LEU 102 CO 0.24 -0.25 0.63 -0.36 -1.32 0.00 0.00 176.35 175.29 3ial s PHE 103 N 2.44 3.40 0.63 5.38 0.40 -1.26 -5.09 117.98 123.87 3ial s PHE 103 Ca 0.02 0.36 -0.18 0.00 -0.60 0.00 0.00 56.93 56.53 3ial s PHE 103 Cb -0.12 -2.11 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 3ial s PHE 103 CO -0.09 -0.12 1.25 -2.14 0.70 0.00 0.00 175.22 174.82 3ial s PRO 104 N -4.46 2.73 0.24 0.24 0.02 -1.26 -4.96 135.00 127.54 3ial s PRO 104 Ca 0.44 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.41 3ial s PRO 104 Cb -0.10 -1.89 0.26 0.00 0.02 0.00 0.00 34.50 32.79 3ial s PRO 104 CO 0.38 -1.42 1.58 1.15 -0.33 0.00 0.00 177.00 178.36 3ial h THR 105 N 0.66 1.35 -3.31 0.99 2.02 -1.96 -3.45 112.91 109.20 3ial h THR 105 Ca -0.50 -1.80 -0.57 0.00 0.77 0.00 0.00 66.41 64.30 3ial h THR 105 Cb 1.32 1.84 -0.06 0.00 -1.74 0.00 0.00 68.15 69.51 3ial h THR 105 CO 0.54 0.54 -0.02 0.68 0.37 0.00 0.00 175.52 177.64 3ial s VAL 106 N -3.94 4.96 -0.15 3.16 -7.23 -1.26 -1.38 120.40 114.57 3ial s VAL 106 Ca -0.05 1.24 0.01 0.00 -1.81 0.00 0.00 61.98 61.37 3ial s VAL 106 Cb 0.12 -3.93 0.02 0.00 0.56 0.00 0.00 36.38 33.15 3ial s VAL 106 CO 0.80 0.38 -0.18 -0.63 -0.31 0.00 0.00 175.10 175.17 3ial s ILE 107 N 0.05 1.82 0.49 -0.62 1.01 0.62 -4.93 121.20 119.64 3ial s ILE 107 Ca 0.31 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 3ial s ILE 107 Cb -0.18 -1.65 -0.07 0.00 0.01 0.00 0.00 42.46 40.57 3ial s ILE 107 CO 0.16 0.50 1.40 -2.16 0.00 0.00 0.00 174.94 174.84 3ial s PRO 108 N 1.16 3.48 0.29 2.79 0.04 -1.26 -0.35 135.00 141.15 3ial s PRO 108 Ca -0.00 2.34 0.04 0.00 0.04 0.00 0.00 61.00 63.41 3ial s PRO 108 Cb -0.14 -2.50 0.67 0.00 0.04 0.00 0.00 34.50 32.57 3ial s PRO 108 CO -0.07 -0.95 1.77 1.49 0.04 0.00 0.00 177.00 179.28 3ial h GLU 109 N 2.00 0.71 -0.97 4.56 4.81 -1.80 -1.78 114.58 122.10 3ial h GLU 109 Ca -0.51 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3ial h GLU 109 Cb 1.28 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 3ial h GLU 109 CO 0.60 0.47 0.64 0.66 -0.73 0.00 0.00 179.01 180.65 3ial h SER 110 N 0.73 1.11 -0.72 1.04 4.64 -1.90 -1.75 113.55 116.70 3ial h SER 110 Ca 0.54 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.81 3ial h SER 110 Cb 0.81 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 3ial h SER 110 CO -0.37 0.80 0.34 -0.26 -0.87 0.00 0.00 176.83 176.46 3ial h PHE 111 N 1.31 1.05 0.00 4.77 -1.00 -1.69 -3.27 116.94 118.11 3ial h PHE 111 Ca 0.36 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.98 3ial h PHE 111 Cb -0.13 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.09 3ial h PHE 111 CO -0.00 0.78 -0.52 1.25 -1.61 0.00 0.00 178.31 178.21 3ial h LEU 112 N 1.02 0.00 -1.06 1.54 5.85 -1.08 -3.04 115.31 118.53 3ial h LEU 112 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3ial h LEU 112 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3ial h LEU 112 CO -0.03 0.52 0.00 0.29 -0.34 0.00 0.00 178.44 178.88 3ial n LYS 113 N -3.78 1.73 -0.04 1.25 5.02 -0.99 -4.42 118.16 116.94 3ial n LYS 113 Ca -0.01 -1.06 -0.11 0.00 -2.02 0.00 0.00 58.31 55.11 3ial n LYS 113 Cb 0.56 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 3ial n LYS 113 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3ial h LYS 114 N 2.54 0.22 -5.64 1.97 1.57 -1.62 -3.40 116.57 112.21 3ial h LYS 114 Ca 0.00 -0.05 -0.63 0.00 -1.87 0.00 0.00 60.65 58.10 3ial h LYS 114 Cb 0.54 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.69 3ial h LYS 114 CO 0.00 0.34 0.26 -2.00 -0.57 0.00 0.00 179.45 177.48 3ial s GLU 115 N -5.44 3.53 0.10 3.15 -6.30 -1.26 -4.98 118.70 107.50 3ial s GLU 115 Ca -0.14 -0.02 -0.29 0.00 -2.50 0.00 0.00 54.97 52.02 3ial s GLU 115 Cb 0.06 -3.88 -0.11 0.00 0.00 0.00 0.00 34.13 30.20 3ial s GLU 115 CO 0.70 -0.94 1.47 1.03 0.02 0.00 0.00 175.26 177.54 3ial h SER 116 N 8.72 -1.48 -0.32 -1.70 0.87 -1.95 -0.99 113.55 116.70 3ial h SER 116 Ca -0.25 0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 3ial h SER 116 Cb 1.10 0.58 -0.02 0.00 -0.44 0.00 0.00 62.40 63.61 3ial h SER 116 CO 0.91 -0.41 0.02 0.44 -0.53 0.00 0.00 176.83 177.25 3ial h ASP 117 N -0.50 0.62 0.11 6.23 3.32 -1.93 -1.26 116.42 123.01 3ial h ASP 117 Ca 0.03 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3ial h ASP 117 Cb 0.58 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ial h ASP 117 CO -0.37 0.68 -0.07 -0.74 -1.72 0.00 0.00 179.24 177.01 3ial h HIS 118 N 0.63 -0.18 -0.40 4.55 2.76 -1.63 -0.06 115.15 120.81 3ial h HIS 118 Ca 0.13 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 3ial h HIS 118 Cb 0.36 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3ial h HIS 118 CO 0.02 -0.11 -0.24 0.97 -1.30 0.00 0.00 177.93 177.27 3ial h ILE 119 N -0.18 1.27 -0.17 6.26 6.09 -1.00 -1.56 117.51 128.22 3ial h ILE 119 Ca -0.01 -1.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.09 3ial h ILE 119 Cb 0.15 1.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 3ial h ILE 119 CO 0.01 0.46 0.00 0.11 -3.07 0.00 0.00 178.15 175.66 3ial h LYS 120 N 0.71 0.24 0.00 2.19 1.57 -1.12 0.19 116.57 120.35 3ial h LYS 120 Ca 0.09 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3ial h LYS 120 Cb 0.77 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3ial h LYS 120 CO 0.06 0.26 -0.33 0.78 -0.57 0.00 0.00 179.45 179.66 3ial h GLY 121 N 0.49 0.00 0.00 3.86 0.00 -0.19 -3.39 103.07 103.84 3ial h GLY 121 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ial h GLY 121 CO 0.00 0.00 -0.06 0.69 0.00 0.00 0.00 176.54 177.17 3ial n PHE 122 N -3.31 0.00 -0.26 5.60 3.72 -0.67 -4.83 117.46 117.71 3ial n PHE 122 Ca 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 3ial n PHE 122 Cb 0.57 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.26 3ial n PHE 122 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3ial h GLU 123 N 0.00 0.64 0.00 -1.08 4.11 -0.84 -1.00 114.58 116.41 3ial h GLU 123 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 3ial h GLU 123 Cb 0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3ial h GLU 123 CO 0.00 0.42 -0.03 0.00 0.07 0.00 0.00 179.01 179.47 3ial h ALA 124 N 1.45 1.70 -0.50 1.06 0.00 -1.87 -2.76 119.26 118.33 3ial h ALA 124 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ial h ALA 124 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ial h ALA 124 CO -0.27 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.41 3ial n GLU 125 N -4.14 2.43 -3.09 0.00 1.02 -0.38 -4.12 120.64 112.35 3ial n GLU 125 Ca -0.03 -1.92 -0.40 0.00 -0.02 0.00 0.00 57.16 54.79 3ial n GLU 125 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 3ial n GLU 125 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ial s PHE 127 N 2.24 3.57 -0.28 0.00 0.08 -1.26 -4.86 117.98 117.47 3ial s PHE 127 Ca 0.28 1.52 -0.05 0.00 0.12 0.00 0.00 56.93 58.80 3ial s PHE 127 Cb -0.16 -3.28 0.01 0.00 -0.57 0.00 0.00 43.02 39.03 3ial s PHE 127 CO 0.09 -0.66 0.03 -1.58 -0.10 0.00 0.00 175.22 173.01 3ial s TRP 128 N 0.62 3.12 -0.20 0.36 0.52 -1.26 -1.96 118.94 120.13 3ial s TRP 128 Ca 0.54 -1.15 -0.29 0.00 0.02 0.00 0.00 56.10 55.21 3ial s TRP 128 Cb -0.27 -2.19 -0.00 0.00 -1.15 0.00 0.00 33.47 29.86 3ial s TRP 128 CO 0.30 -0.62 1.16 0.08 0.02 0.00 0.00 176.95 177.89 3ial s VAL 129 N 1.45 4.46 -0.01 4.03 1.01 0.13 -4.90 120.40 126.56 3ial s VAL 129 Ca 0.02 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.76 3ial s VAL 129 Cb -0.17 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3ial s VAL 129 CO 0.00 -0.18 0.02 -0.62 0.00 0.00 0.00 175.10 174.32 3ial n GLU 130 N 6.51 2.82 -4.59 2.72 1.02 -1.26 -1.95 120.64 125.91 3ial n GLU 130 Ca 0.13 -0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.04 3ial n GLU 130 Cb 0.45 -0.81 -0.14 0.00 -0.02 0.00 0.00 31.44 30.92 3ial n GLU 130 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ial s LYS 131 N -1.63 1.15 -0.37 3.49 1.02 -1.26 -0.21 119.74 121.92 3ial s LYS 131 Ca -0.00 -0.66 -0.04 0.00 0.02 0.00 0.00 55.97 55.29 3ial s LYS 131 Cb 0.00 -1.15 0.08 0.00 -0.52 0.00 0.00 37.83 36.24 3ial s LYS 131 CO 0.02 0.30 0.15 0.20 -0.92 0.00 0.00 175.35 175.11 3ial s GLY 132 N -0.70 1.91 0.00 -3.33 0.00 -0.05 -4.83 107.32 100.31 3ial s GLY 132 Ca 0.05 -2.17 0.00 0.00 0.00 0.00 0.00 44.72 42.59 3ial s GLY 132 CO 0.00 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.61 3ial n GLY 133 N 4.69 1.69 0.11 0.20 0.00 -1.26 -2.78 105.19 107.83 3ial n GLY 133 Ca -0.08 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3ial n GLY 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ial h LEU 134 N 0.00 0.00 -9.35 0.99 3.38 -2.02 -3.46 115.31 104.84 3ial h LEU 134 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 3ial h LEU 134 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3ial h LEU 134 CO 0.00 0.00 -0.05 -1.58 0.09 0.00 0.00 178.44 176.91 3ial s GLN 135 N -3.11 4.38 0.44 1.13 2.00 -1.12 -5.05 119.66 118.33 3ial s GLN 135 Ca 0.10 0.63 -0.25 0.00 -2.00 0.00 0.00 55.36 53.84 3ial s GLN 135 Cb 0.12 -3.44 -0.09 0.00 0.80 0.00 0.00 33.01 30.40 3ial s GLN 135 CO 0.61 0.13 1.34 -2.30 -0.50 0.00 0.00 175.29 174.57 3ial n PRO 136 N 3.66 2.04 -2.64 1.67 -0.02 -1.26 -0.88 135.00 137.57 3ial n PRO 136 Ca -0.05 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.78 3ial n PRO 136 Cb 0.51 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 3ial n PRO 136 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ial s LEU 137 N -2.16 4.36 0.12 2.45 1.43 0.70 -4.72 118.68 120.85 3ial s LEU 137 Ca 0.62 2.01 -0.23 0.00 -1.03 0.00 0.00 54.13 55.49 3ial s LEU 137 Cb -0.48 -3.94 -0.07 0.00 0.03 0.00 0.00 46.19 41.74 3ial s LEU 137 CO 0.57 -0.19 1.68 -0.08 0.23 0.00 0.00 176.35 178.56 3ial h GLU 138 N 3.21 -0.20 -5.75 1.70 4.81 -1.93 -3.41 114.58 113.02 3ial h GLU 138 Ca -0.47 0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.09 3ial h GLU 138 Cb 1.20 0.04 -0.29 0.00 0.63 0.00 0.00 28.75 30.34 3ial h GLU 138 CO 0.65 -0.13 -0.83 -2.00 -0.73 0.00 0.00 179.01 175.97 3ial s GLU 139 N -6.15 2.88 0.54 1.92 2.12 -1.26 -5.12 118.70 113.63 3ial s GLU 139 Ca -0.14 -0.80 -0.22 0.00 0.36 0.00 0.00 54.97 54.17 3ial s GLU 139 Cb 0.09 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 32.06 3ial s GLU 139 CO 0.67 0.34 1.37 0.54 -0.54 0.00 0.00 175.26 177.64 3ial n ARG 140 N 3.10 1.76 -5.06 4.30 1.74 -1.26 -4.93 116.66 116.31 3ial n ARG 140 Ca -0.18 0.65 -0.32 0.00 -0.77 0.00 0.00 57.85 57.23 3ial n ARG 140 Cb 0.52 -2.59 -0.15 0.00 -1.02 0.00 0.00 32.46 29.22 3ial n ARG 140 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ial s LEU 141 N -3.40 2.36 -0.04 0.55 1.43 -0.82 -2.21 118.68 116.54 3ial s LEU 141 Ca 0.71 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 3ial s LEU 141 Cb -0.42 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3ial s LEU 141 CO 0.50 0.22 0.33 0.00 0.23 0.00 0.00 176.35 177.63 3ial s ALA 142 N -0.02 3.75 0.05 4.21 0.00 0.52 0.17 121.76 130.45 3ial s ALA 142 Ca -0.06 -0.35 -0.31 0.00 0.00 0.00 0.00 51.96 51.25 3ial s ALA 142 Cb -0.15 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 3ial s ALA 142 CO 0.05 0.52 1.32 -0.51 0.00 0.00 0.00 175.76 177.14 3ial s LEU 143 N -1.05 4.35 -0.18 0.00 1.43 -0.83 -0.28 118.68 122.12 3ial s LEU 143 Ca 0.21 2.14 -0.36 0.00 -1.03 0.00 0.00 54.13 55.09 3ial s LEU 143 Cb -0.15 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.37 3ial s LEU 143 CO 0.11 -0.61 1.91 -2.11 0.23 0.00 0.00 176.35 175.88 3ial n ARG 144 N 4.42 1.76 0.17 1.70 1.85 -0.48 -4.54 116.66 121.54 3ial n ARG 144 Ca 0.11 0.62 0.09 0.00 -1.00 0.00 0.00 57.85 57.67 3ial n ARG 144 Cb 0.44 -2.51 0.09 0.00 -1.05 0.00 0.00 32.46 29.43 3ial n ARG 144 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3ial h PRO 145 N 9.48 0.00 0.00 2.89 0.13 -1.91 0.23 132.00 142.83 3ial h PRO 145 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ial h PRO 145 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3ial h PRO 145 CO 0.96 0.12 0.00 -2.37 -0.23 0.00 0.00 178.00 176.49 3ial n THR 146 N -3.03 0.00 -0.05 1.56 5.66 -1.26 -4.49 114.28 112.66 3ial n THR 146 Ca 0.02 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.10 3ial n THR 146 Cb 0.59 0.00 0.19 0.00 -1.55 0.00 0.00 70.33 69.56 3ial n THR 146 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3ial n SER 147 N 0.00 3.14 -0.24 1.09 7.64 -1.26 -4.64 113.62 119.34 3ial n SER 147 Ca 0.00 -1.93 -0.03 0.00 1.01 0.00 0.00 58.87 57.92 3ial n SER 147 Cb 0.00 -0.26 0.03 0.00 -1.01 0.00 0.00 64.21 62.96 3ial n SER 147 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3ial h GLU 148 N 3.01 -0.11 -0.32 1.43 3.07 -1.99 0.14 114.58 119.82 3ial h GLU 148 Ca 0.00 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 3ial h GLU 148 Cb 0.80 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 3ial h GLU 148 CO 0.00 -0.07 -0.07 1.79 -1.40 0.00 0.00 179.01 179.26 3ial h THR 149 N -0.11 1.22 -0.01 1.13 1.35 -1.90 0.70 112.91 115.29 3ial h THR 149 Ca 0.27 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 3ial h THR 149 Cb 0.56 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3ial h THR 149 CO -0.75 0.30 -0.03 0.00 -0.25 0.00 0.00 175.52 174.80 3ial h ALA 150 N 1.45 0.02 -0.42 6.62 0.00 -1.62 -3.11 119.26 122.19 3ial h ALA 150 Ca 0.10 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3ial h ALA 150 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ial h ALA 150 CO 0.02 -0.16 -0.12 0.82 0.00 0.00 0.00 179.25 179.81 3ial h ILE 151 N -0.55 1.27 0.00 0.00 2.04 -0.53 -3.06 117.51 116.68 3ial h ILE 151 Ca -0.00 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 3ial h ILE 151 Cb 0.64 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3ial h ILE 151 CO 0.01 0.42 -0.29 1.88 0.00 0.00 0.00 178.15 180.16 3ial h TYR 152 N 0.65 0.00 -0.36 1.37 0.05 -1.00 -0.27 116.97 117.40 3ial h TYR 152 Ca 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 3ial h TYR 152 Cb 0.66 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 3ial h TYR 152 CO 0.05 0.29 0.15 0.77 -1.05 0.00 0.00 178.16 178.37 3ial h SER 153 N 0.00 0.46 0.46 3.88 0.02 -1.46 -2.22 113.55 114.69 3ial h SER 153 Ca -0.00 -0.04 -0.30 0.00 -0.84 0.00 0.00 61.79 60.60 3ial h SER 153 Cb 1.01 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3ial h SER 153 CO 0.04 0.42 -1.51 0.24 -1.14 0.00 0.00 176.83 174.88 3ial h MET 154 N 0.51 0.26 -1.01 3.45 2.86 -1.26 -3.26 114.93 116.48 3ial h MET 154 Ca 0.13 -0.44 0.14 0.00 -2.06 0.00 0.00 59.70 57.47 3ial h MET 154 Cb 0.10 0.16 -0.09 0.00 0.06 0.00 0.00 31.60 31.84 3ial h MET 154 CO -0.01 1.13 0.63 0.74 1.06 0.00 0.00 176.91 180.45 3ial h PHE 155 N 0.07 1.13 -0.94 -0.22 -1.00 -1.02 0.16 116.94 115.12 3ial h PHE 155 Ca -0.23 0.03 0.15 0.00 2.81 0.00 0.00 57.97 60.73 3ial h PHE 155 Cb 2.01 -0.35 -0.09 0.00 3.61 0.00 0.00 35.95 41.13 3ial h PHE 155 CO 0.06 0.39 0.55 1.03 -1.61 0.00 0.00 178.31 178.74 3ial h SER 156 N 0.93 0.74 0.41 2.17 0.87 -1.44 -0.11 113.55 117.12 3ial h SER 156 Ca 0.52 0.08 -0.29 0.00 -1.23 0.00 0.00 61.79 60.88 3ial h SER 156 Cb 0.61 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3ial h SER 156 CO -0.30 0.33 -1.25 0.11 -0.53 0.00 0.00 176.83 175.19 3ial h LYS 157 N 0.79 0.42 0.00 2.24 1.57 -1.27 -3.36 116.57 116.96 3ial h LYS 157 Ca 0.51 -0.64 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 3ial h LYS 157 Cb 0.67 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3ial h LYS 157 CO -0.33 1.28 -0.32 -1.49 -0.57 0.00 0.00 179.45 178.02 3ial h TRP 158 N 0.15 0.00 -3.84 -1.35 6.55 -0.54 -3.44 115.95 113.48 3ial h TRP 158 Ca -0.16 0.00 -0.65 0.00 0.95 0.00 0.00 58.89 59.03 3ial h TRP 158 Cb 1.94 0.00 -0.18 0.00 -0.86 0.00 0.00 29.16 30.06 3ial h TRP 158 CO 0.09 0.26 -0.52 0.08 -1.05 0.00 0.00 178.44 177.30 3ial s VAL 159 N -3.08 5.21 0.00 1.49 1.01 -0.10 -4.90 120.40 120.03 3ial s VAL 159 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3ial s VAL 159 Cb 0.06 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3ial s VAL 159 CO 0.71 0.20 0.00 0.54 0.00 0.00 0.00 175.10 176.56 3ial n ARG 160 N 5.06 0.00 -4.22 2.72 5.12 -1.26 -4.61 116.66 119.46 3ial n ARG 160 Ca -0.14 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.65 3ial n ARG 160 Cb 0.51 -0.82 -0.10 0.00 -1.16 0.00 0.00 32.46 30.89 3ial n ARG 160 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3ial s SER 161 N -4.04 0.51 0.61 0.55 1.04 -1.26 -0.94 113.70 110.17 3ial s SER 161 Ca 0.00 -1.34 0.30 0.00 0.48 0.00 0.00 55.95 55.38 3ial s SER 161 Cb 0.00 0.29 1.64 0.00 0.10 0.00 0.00 66.02 68.05 3ial s SER 161 CO 0.00 -0.78 2.02 0.10 0.98 0.00 0.00 173.24 175.57 3ial h TYR 162 N 2.60 0.00 0.00 5.02 -0.00 -1.63 -0.24 116.97 122.72 3ial h TYR 162 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.37 3ial h TYR 162 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.97 3ial h TYR 162 CO 0.40 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 179.43 3ial h LYS 163 N 0.00 0.00 -0.00 0.10 1.57 -1.96 -2.49 116.57 113.79 3ial h LYS 163 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ial h LYS 163 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3ial h LYS 163 CO -0.00 0.00 -0.06 -0.25 -0.57 0.00 0.00 179.45 178.57 3ial n ASP 164 N -2.86 0.23 -4.56 0.86 8.00 -0.10 -4.86 116.55 113.26 3ial n ASP 164 Ca 0.01 -0.41 -0.31 0.00 0.71 0.00 0.00 54.79 54.79 3ial n ASP 164 Cb 0.30 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 3ial n ASP 164 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ial s LEU 165 N -2.49 3.01 0.52 0.64 1.43 -0.94 -3.81 118.68 117.04 3ial s LEU 165 Ca 0.30 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 3ial s LEU 165 Cb 0.20 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 3ial s LEU 165 CO 0.46 0.23 1.00 -2.16 0.23 0.00 0.00 176.35 176.11 3ial s PRO 166 N -1.81 3.82 -0.22 1.29 0.04 -1.26 -5.00 135.00 131.85 3ial s PRO 166 Ca 0.19 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.29 3ial s PRO 166 Cb -0.11 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.34 3ial s PRO 166 CO 0.10 -0.39 -0.11 -1.17 0.04 0.00 0.00 177.00 175.47 3ial s LEU 167 N -4.03 2.81 -0.13 -3.56 2.96 -0.86 -5.00 118.68 110.87 3ial s LEU 167 Ca 0.61 -0.80 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3ial s LEU 167 Cb -0.12 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 45.01 3ial s LEU 167 CO 0.30 -0.08 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.65 3ial s LYS 168 N 1.31 1.42 0.14 1.98 1.02 -1.26 -0.35 119.74 124.00 3ial s LYS 168 Ca 0.01 -0.33 0.01 0.00 0.02 0.00 0.00 55.97 55.69 3ial s LYS 168 Cb -0.15 -1.71 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 3ial s LYS 168 CO -0.07 -0.33 -0.01 0.96 -0.92 0.00 0.00 175.35 174.97 3ial s ILE 169 N 1.70 0.57 0.10 2.17 -5.25 -0.60 -1.66 121.20 118.23 3ial s ILE 169 Ca 0.03 -1.95 -0.15 0.00 -0.99 0.00 0.00 60.65 57.60 3ial s ILE 169 Cb -0.14 -1.97 0.03 0.00 2.95 0.00 0.00 42.46 43.34 3ial s ILE 169 CO -0.08 -0.60 0.36 -1.38 -1.79 0.00 0.00 174.94 171.45 3ial s HIS 170 N -3.72 -0.14 -0.04 1.37 -3.43 -0.46 -0.36 115.29 108.50 3ial s HIS 170 Ca 0.20 -0.15 -0.05 0.00 -0.80 0.00 0.00 55.06 54.26 3ial s HIS 170 Cb 0.06 0.19 0.01 0.00 -1.43 0.00 0.00 32.58 31.41 3ial s HIS 170 CO 0.01 -0.65 0.14 1.14 -2.00 0.00 0.00 174.74 173.38 3ial s GLN 171 N -3.58 0.25 -0.24 -0.38 -2.07 -0.03 -0.82 119.66 112.79 3ial s GLN 171 Ca 0.02 0.04 -0.09 0.00 -1.82 0.00 0.00 55.36 53.50 3ial s GLN 171 Cb 0.02 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 3ial s GLN 171 CO -0.10 -0.04 0.12 0.99 -1.32 0.00 0.00 175.29 174.94 3ial s THR 172 N -0.31 4.92 0.02 3.63 2.01 -1.26 -1.38 115.64 123.27 3ial s THR 172 Ca -0.04 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 3ial s THR 172 Cb -0.03 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.20 3ial s THR 172 CO 0.00 0.34 0.09 0.00 -0.69 0.00 0.00 174.62 174.36 3ial s THR 174 N -2.66 3.08 0.40 0.00 -4.23 -1.26 -0.65 115.64 110.31 3ial s THR 174 Ca 0.02 -1.26 0.07 0.00 -1.18 0.00 0.00 61.69 59.34 3ial s THR 174 Cb -0.00 -2.38 -0.08 0.00 1.34 0.00 0.00 72.50 71.38 3ial s THR 174 CO 0.01 0.20 0.00 0.27 -0.54 0.00 0.00 174.62 174.56 3ial s ILE 175 N -1.09 2.07 -0.07 2.99 -4.36 -0.34 -4.90 121.20 115.50 3ial s ILE 175 Ca 0.18 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 3ial s ILE 175 Cb -0.11 -2.94 0.02 0.00 1.25 0.00 0.00 42.46 40.69 3ial s ILE 175 CO 0.10 -0.04 -0.06 -0.36 0.24 0.00 0.00 174.94 174.82 3ial s PHE 176 N -2.68 1.04 -0.30 1.37 0.08 0.82 -0.84 117.98 117.46 3ial s PHE 176 Ca 0.35 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 3ial s PHE 176 Cb 0.08 -0.91 0.09 0.00 -0.57 0.00 0.00 43.02 41.72 3ial s PHE 176 CO 0.18 -0.32 0.08 1.03 -0.10 0.00 0.00 175.22 176.10 3ial s ARG 177 N 1.31 0.76 0.13 0.44 1.81 -0.08 -3.73 118.95 119.59 3ial s ARG 177 Ca -0.04 -1.02 -0.13 0.00 -1.72 0.00 0.00 55.73 52.82 3ial s ARG 177 Cb -0.14 -2.05 -0.02 0.00 -0.45 0.00 0.00 34.95 32.30 3ial s ARG 177 CO -0.03 -0.94 1.53 1.25 -0.68 0.00 0.00 175.30 176.44 3ial h HIS 178 N 8.09 0.95 0.00 -0.53 -0.00 -1.18 -3.26 115.15 119.22 3ial h HIS 178 Ca -0.14 -0.22 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 3ial h HIS 178 Cb 1.03 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.21 3ial h HIS 178 CO 0.36 0.97 0.00 -1.91 -0.00 0.00 0.00 177.93 177.35 3ial n GLU 179 N -4.27 0.23 -1.64 5.26 4.07 -1.26 -4.83 120.64 118.21 3ial n GLU 179 Ca -0.01 0.09 -0.50 0.00 -0.06 0.00 0.00 57.16 56.68 3ial n GLU 179 Cb 0.39 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 30.22 3ial n GLU 179 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3ial n THR 180 N -1.35 0.07 -4.22 6.31 -1.04 -1.23 -4.97 114.28 107.86 3ial n THR 180 Ca 0.09 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.84 3ial n THR 180 Cb 0.20 -1.22 -0.08 0.00 -1.82 0.00 0.00 70.33 67.41 3ial n THR 180 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3ial s LYS 181 N 1.19 2.18 -1.32 -2.82 -0.14 -1.26 -4.77 119.74 112.80 3ial s LYS 181 Ca 0.84 -1.87 -0.11 0.00 -1.36 0.00 0.00 55.97 53.47 3ial s LYS 181 Cb -0.84 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 3ial s LYS 181 CO 0.45 -0.09 0.52 0.09 -0.76 0.00 0.00 175.35 175.57 3ial n ASN 182 N -1.18 -2.17 -4.74 2.83 3.02 -1.26 -4.83 115.26 106.93 3ial n ASN 182 Ca -0.02 -1.08 -0.37 0.00 -0.03 0.00 0.00 54.58 53.08 3ial n ASN 182 Cb 0.65 -2.81 0.05 0.00 -0.61 0.00 0.00 39.78 37.06 3ial n ASN 182 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ial s THR 183 N -3.80 2.23 -0.22 3.41 -4.23 -1.26 -4.86 115.64 106.91 3ial s THR 183 Ca 0.21 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 3ial s THR 183 Cb -0.09 -3.06 0.09 0.00 1.34 0.00 0.00 72.50 70.78 3ial s THR 183 CO 0.90 -0.03 0.50 -0.75 -0.54 0.00 0.00 174.62 174.70 3ial s LYS 184 N -3.28 0.44 0.19 3.99 2.20 0.26 -4.96 119.74 118.59 3ial s LYS 184 Ca 0.79 1.08 -0.31 0.00 -0.36 0.00 0.00 55.97 57.17 3ial s LYS 184 Cb -0.36 0.32 -0.16 0.00 -1.51 0.00 0.00 37.83 36.12 3ial s LYS 184 CO 0.39 -0.20 0.89 -2.30 -0.36 0.00 0.00 175.35 173.77 3ial n PRO 185 N 4.97 0.70 0.00 4.03 -0.02 -1.26 -1.15 135.00 142.27 3ial n PRO 185 Ca -0.14 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3ial n PRO 185 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3ial n PRO 185 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ial n LEU 186 N 1.74 0.00 -0.09 2.45 4.77 -1.26 -4.54 117.00 120.07 3ial n LEU 186 Ca 0.15 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.90 3ial n LEU 186 Cb 0.25 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 3ial n LEU 186 CO 0.59 0.00 -0.87 -0.38 -1.33 0.00 0.00 177.39 175.40 3ial n ILE 187 N 0.00 1.58 -3.47 -0.08 5.41 -0.82 -2.80 119.36 119.18 3ial n ILE 187 Ca 0.00 -0.28 -0.29 0.00 1.00 0.00 0.00 62.75 63.19 3ial n ILE 187 Cb 0.00 -1.90 -0.12 0.00 -0.71 0.00 0.00 39.64 36.91 3ial n ILE 187 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3ial s ARG 188 N -2.45 0.50 0.31 0.38 0.52 -0.30 -4.91 118.95 113.00 3ial s ARG 188 Ca -0.31 -1.21 0.06 0.00 -0.52 0.00 0.00 55.73 53.76 3ial s ARG 188 Cb 0.08 -1.26 -0.06 0.00 0.52 0.00 0.00 34.95 34.23 3ial s ARG 188 CO 0.60 -1.19 -0.03 0.14 0.02 0.00 0.00 175.30 174.85 3ial s VAL 189 N 1.22 1.62 -0.18 3.52 -7.23 -1.26 -0.57 120.40 117.52 3ial s VAL 189 Ca 0.17 -2.09 0.16 0.00 -1.81 0.00 0.00 61.98 58.40 3ial s VAL 189 Cb -0.22 -2.60 -0.24 0.00 0.56 0.00 0.00 36.38 33.88 3ial s VAL 189 CO -0.04 -0.20 0.15 0.54 -0.31 0.00 0.00 175.10 175.24 3ial n ARG 190 N -0.66 0.68 -3.94 4.82 1.74 0.37 -4.73 116.66 114.94 3ial n ARG 190 Ca -0.05 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 3ial n ARG 190 Cb 0.64 -1.57 -0.14 0.00 -1.02 0.00 0.00 32.46 30.38 3ial n ARG 190 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3ial s GLU 191 N -2.51 3.38 -0.18 5.56 2.12 -1.09 -0.91 118.70 125.07 3ial s GLU 191 Ca -0.11 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.60 3ial s GLU 191 Cb 0.07 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.48 3ial s GLU 191 CO 0.81 -0.18 -0.18 0.42 -0.54 0.00 0.00 175.26 175.59 3ial s ILE 192 N 1.43 2.24 -0.10 -3.70 1.01 -0.02 -4.79 121.20 117.26 3ial s ILE 192 Ca 0.05 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 3ial s ILE 192 Cb -0.14 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 3ial s ILE 192 CO -0.03 0.53 0.93 -2.28 0.00 0.00 0.00 174.94 174.09 3ial s HIS 193 N 1.21 3.52 0.26 3.97 2.46 -1.26 -1.20 115.29 124.24 3ial s HIS 193 Ca 0.03 1.49 -0.13 0.00 0.47 0.00 0.00 55.06 56.91 3ial s HIS 193 Cb -0.14 -3.10 -0.00 0.00 -0.13 0.00 0.00 32.58 29.21 3ial s HIS 193 CO -0.10 -0.17 0.51 1.67 -2.47 0.00 0.00 174.74 174.18 3ial s TRP 194 N 1.80 0.32 -0.08 3.88 1.48 0.17 -2.34 118.94 124.18 3ial s TRP 194 Ca 0.45 -0.70 0.05 0.00 -1.06 0.00 0.00 56.10 54.84 3ial s TRP 194 Cb -0.18 0.25 -0.01 0.00 -1.16 0.00 0.00 33.47 32.36 3ial s TRP 194 CO 0.18 -1.03 -0.22 1.21 -4.06 0.00 0.00 176.95 173.02 3ial s ASN 195 N -3.02 3.28 -0.08 -2.66 3.84 0.02 -1.34 114.94 114.98 3ial s ASN 195 Ca 0.21 -0.47 0.02 0.00 0.21 0.00 0.00 52.86 52.84 3ial s ASN 195 Cb -0.01 -1.07 0.01 0.00 -0.55 0.00 0.00 41.25 39.62 3ial s ASN 195 CO 0.09 0.22 -0.15 -1.83 -2.79 0.00 0.00 177.10 172.65 3ial s GLU 196 N -0.03 2.04 -0.07 0.43 -1.05 -0.48 -1.90 118.70 117.65 3ial s GLU 196 Ca -0.07 -0.52 -0.00 0.00 -0.15 0.00 0.00 54.97 54.23 3ial s GLU 196 Cb -0.15 -1.67 -0.03 0.00 -0.44 0.00 0.00 34.13 31.84 3ial s GLU 196 CO 0.05 0.02 -0.03 0.00 0.95 0.00 0.00 175.26 176.26 3ial s ALA 197 N 0.71 3.17 -0.04 -0.84 0.00 0.14 -0.85 121.76 124.05 3ial s ALA 197 Ca -0.13 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3ial s ALA 197 Cb -0.16 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.62 3ial s ALA 197 CO 0.03 0.59 -0.03 -1.01 0.00 0.00 0.00 175.76 175.34 3ial s HIS 198 N -0.88 0.59 0.07 0.00 3.76 0.52 -1.17 115.29 118.18 3ial s HIS 198 Ca 0.14 -0.13 0.06 0.00 -0.15 0.00 0.00 55.06 54.98 3ial s HIS 198 Cb -0.11 -0.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.99 3ial s HIS 198 CO 0.03 -0.16 -0.17 0.00 -0.85 0.00 0.00 174.74 173.59 3ial s HIS 201 N 0.64 1.96 0.07 0.00 3.76 0.24 -2.03 115.29 119.93 3ial s HIS 201 Ca -0.10 -0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 54.24 3ial s HIS 201 Cb -0.16 -1.01 -0.21 0.00 1.11 0.00 0.00 32.58 32.31 3ial s HIS 201 CO 0.02 0.34 1.21 0.00 -0.85 0.00 0.00 174.74 175.46 3ial h ALA 202 N 3.51 0.17 -2.08 -1.40 0.00 -1.94 0.87 119.26 118.38 3ial h ALA 202 Ca -0.45 -0.64 -0.49 0.00 0.00 0.00 0.00 54.91 53.33 3ial h ALA 202 Cb 1.20 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 3ial h ALA 202 CO 0.46 0.61 -0.68 0.95 0.00 0.00 0.00 179.25 180.60 3ial s THR 203 N -3.43 1.65 0.25 0.00 -4.23 -1.26 -4.64 115.64 103.98 3ial s THR 203 Ca -0.11 -2.13 -0.03 0.00 -1.18 0.00 0.00 61.69 58.24 3ial s THR 203 Cb 0.07 -2.44 0.14 0.00 1.34 0.00 0.00 72.50 71.61 3ial s THR 203 CO 0.90 -0.31 1.79 0.00 -0.54 0.00 0.00 174.62 176.46 3ial h ALA 204 N 2.29 1.13 -0.82 3.99 0.00 -1.98 -2.80 119.26 121.07 3ial h ALA 204 Ca -0.40 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 3ial h ALA 204 Cb 1.23 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3ial h ALA 204 CO 0.67 0.58 0.36 0.93 0.00 0.00 0.00 179.25 181.79 3ial h GLU 205 N 0.88 1.21 -0.71 0.00 3.07 -2.00 -2.15 114.58 114.88 3ial h GLU 205 Ca 0.19 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 3ial h GLU 205 Cb 0.33 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 3ial h GLU 205 CO 0.00 0.96 0.31 -0.44 -1.40 0.00 0.00 179.01 178.44 3ial h ASP 206 N 1.19 0.94 -0.71 1.42 3.32 -1.93 -1.72 116.42 118.93 3ial h ASP 206 Ca 0.28 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3ial h ASP 206 Cb 0.18 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3ial h ASP 206 CO -0.03 0.82 0.21 0.00 -1.72 0.00 0.00 179.24 178.52 3ial h ALA 207 N 1.32 1.02 -0.44 3.45 0.00 -1.19 -0.85 119.26 122.56 3ial h ALA 207 Ca 0.24 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3ial h ALA 207 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ial h ALA 207 CO -0.03 0.65 -0.12 0.28 0.00 0.00 0.00 179.25 180.04 3ial h VAL 208 N 1.07 1.27 -0.20 0.00 2.07 -1.15 -2.95 116.25 116.36 3ial h VAL 208 Ca 0.23 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 3ial h VAL 208 Cb 0.32 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3ial h VAL 208 CO -0.01 0.42 -0.13 0.28 0.02 0.00 0.00 177.57 178.16 3ial h SER 209 N 0.70 0.30 -0.54 0.57 0.02 -1.04 -2.60 113.55 110.96 3ial h SER 209 Ca 0.11 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3ial h SER 209 Cb 0.66 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 3ial h SER 209 CO 0.05 0.46 0.18 -0.61 -1.14 0.00 0.00 176.83 175.77 3ial h GLN 210 N 0.30 0.88 -0.66 3.45 5.75 -0.99 -2.65 115.11 121.19 3ial h GLN 210 Ca 0.06 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3ial h GLN 210 Cb 0.41 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 3ial h GLN 210 CO 0.02 0.76 0.41 -0.07 -2.65 0.00 0.00 178.83 177.30 3ial h LEU 211 N 0.85 0.77 -0.85 -2.39 4.07 -1.33 -1.80 115.31 114.63 3ial h LEU 211 Ca 0.19 -0.03 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 3ial h LEU 211 Cb 0.25 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 3ial h LEU 211 CO -0.01 0.58 0.04 0.28 -1.08 0.00 0.00 178.44 178.26 3ial h SER 212 N 0.90 0.86 -0.55 -0.43 0.02 -1.46 -1.93 113.55 110.96 3ial h SER 212 Ca 0.24 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3ial h SER 212 Cb -0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3ial h SER 212 CO -0.05 0.90 0.17 0.44 -1.14 0.00 0.00 176.83 177.16 3ial h ASP 213 N 0.84 0.80 -0.54 3.07 3.32 -1.18 -2.12 116.42 120.61 3ial h ASP 213 Ca 0.17 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3ial h ASP 213 Cb 0.44 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3ial h ASP 213 CO 0.02 0.79 0.33 1.88 -1.72 0.00 0.00 179.24 180.54 3ial h TYR 214 N 0.76 0.70 -0.65 4.55 0.05 -1.20 -2.86 116.97 118.33 3ial h TYR 214 Ca 0.18 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.93 3ial h TYR 214 Cb 0.28 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 3ial h TYR 214 CO 0.02 0.48 0.28 -1.49 -1.05 0.00 0.00 178.16 176.39 3ial h TRP 215 N 0.73 0.94 -0.61 4.88 4.06 -1.16 -1.55 115.95 123.24 3ial h TRP 215 Ca 0.19 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 61.07 3ial h TRP 215 Cb -0.03 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 27.81 3ial h TRP 215 CO -0.03 0.71 0.27 0.87 -3.56 0.00 0.00 178.44 176.71 3ial h LYS 216 N 0.93 0.89 -0.50 0.49 1.57 -1.26 -0.74 116.57 117.95 3ial h LYS 216 Ca 0.22 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3ial h LYS 216 Cb 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3ial h LYS 216 CO -0.02 0.73 0.29 0.28 -0.57 0.00 0.00 179.45 180.16 3ial h VAL 217 N 0.84 1.16 -0.68 0.50 2.07 -1.27 -1.30 116.25 117.57 3ial h VAL 217 Ca 0.21 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3ial h VAL 217 Cb 0.15 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3ial h VAL 217 CO -0.02 0.16 0.44 0.40 0.02 0.00 0.00 177.57 178.58 3ial h ILE 218 N 0.67 1.18 -0.65 4.57 1.08 -1.03 -1.36 117.51 121.97 3ial h ILE 218 Ca 0.18 -0.34 -0.07 0.00 -0.39 0.00 0.00 64.86 64.24 3ial h ILE 218 Cb 0.01 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 33.92 3ial h ILE 218 CO -0.03 0.18 0.14 0.44 -0.69 0.00 0.00 178.15 178.19 3ial h ASP 219 N 0.93 1.00 0.02 1.72 3.32 -0.94 0.15 116.42 122.62 3ial h ASP 219 Ca 0.25 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3ial h ASP 219 Cb -0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 3ial h ASP 219 CO -0.05 0.99 -0.11 0.74 -1.72 0.00 0.00 179.24 179.08 3ial h THR 220 N 0.97 0.73 0.37 0.35 2.02 -0.95 -0.02 112.91 116.39 3ial h THR 220 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 3ial h THR 220 Cb 0.39 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3ial h THR 220 CO 0.01 0.00 -0.18 0.40 0.37 0.00 0.00 175.52 176.12 3ial h ILE 221 N -0.20 0.60 0.28 3.11 2.04 -1.10 -1.14 117.51 121.10 3ial h ILE 221 Ca 0.03 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3ial h ILE 221 Cb 0.24 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3ial h ILE 221 CO -0.10 0.08 -0.13 -0.26 0.00 0.00 0.00 178.15 177.74 3ial h PHE 222 N -0.78 -0.35 0.00 1.37 -1.00 -0.70 0.73 116.94 116.22 3ial h PHE 222 Ca -0.05 -0.01 -0.28 0.00 2.81 0.00 0.00 57.97 60.44 3ial h PHE 222 Cb 0.52 0.12 -0.04 0.00 3.61 0.00 0.00 35.95 40.16 3ial h PHE 222 CO 0.01 -0.01 -1.66 0.43 -1.61 0.00 0.00 178.31 175.47 3ial n SER 223 N -5.10 1.90 -0.20 2.17 7.64 -0.07 -1.14 113.62 118.82 3ial n SER 223 Ca -0.09 0.40 -0.06 0.00 1.01 0.00 0.00 58.87 60.13 3ial n SER 223 Cb 0.26 -0.88 0.09 0.00 -1.01 0.00 0.00 64.21 62.67 3ial n SER 223 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ial h ASP 224 N -1.00 0.97 0.00 6.43 3.32 -1.21 -2.06 116.42 122.86 3ial h ASP 224 Ca -0.42 -0.22 -0.37 0.00 0.02 0.00 0.00 57.03 56.04 3ial h ASP 224 Cb 1.31 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 3ial h ASP 224 CO -0.25 0.97 -2.25 -0.62 -1.72 0.00 0.00 179.24 175.36 3ial n GLU 225 N -4.22 0.48 0.00 3.56 -0.58 -0.45 -4.62 120.64 114.81 3ial n GLU 225 Ca 0.04 0.20 0.14 0.00 -0.42 0.00 0.00 57.16 57.12 3ial n GLU 225 Cb 0.28 -1.31 0.49 0.00 -0.57 0.00 0.00 31.44 30.33 3ial n GLU 225 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ial n LEU 226 N -3.94 0.87 -2.44 -4.62 4.77 0.25 -4.62 117.00 107.28 3ial n LEU 226 Ca -0.44 -0.20 -0.20 0.00 -0.03 0.00 0.00 56.01 55.15 3ial n LEU 226 Cb 0.82 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 3ial n LEU 226 CO 0.04 0.16 -0.17 0.00 -1.33 0.00 0.00 177.39 176.09 3ial s PHE 228 N -3.03 1.72 0.04 0.00 -0.12 -0.47 -4.04 117.98 112.07 3ial s PHE 228 Ca 0.09 -1.27 0.03 0.00 -0.05 0.00 0.00 56.93 55.73 3ial s PHE 228 Cb -0.04 -1.02 -0.02 0.00 -0.63 0.00 0.00 43.02 41.31 3ial s PHE 228 CO 0.11 -0.36 -0.10 0.21 -0.05 0.00 0.00 175.22 175.04 3ial s LYS 229 N -3.80 0.64 0.22 1.99 2.20 -1.26 -3.01 119.74 116.72 3ial s LYS 229 Ca 0.32 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.27 3ial s LYS 229 Cb 0.05 -0.53 -0.05 0.00 -1.51 0.00 0.00 37.83 35.79 3ial s LYS 229 CO 0.16 0.12 -0.04 0.20 -0.36 0.00 0.00 175.35 175.43 3ial s GLY 230 N -1.30 1.48 -0.23 5.54 0.00 -1.26 -4.61 107.32 106.94 3ial s GLY 230 Ca -0.05 -1.72 -0.24 0.00 0.00 0.00 0.00 44.72 42.71 3ial s GLY 230 CO 0.01 -1.68 0.80 1.62 0.00 0.00 0.00 173.10 173.85 3ial s GLN 231 N -3.81 4.19 -0.00 2.90 2.00 0.67 -4.84 119.66 120.77 3ial s GLN 231 Ca 0.26 0.89 -0.30 0.00 -2.00 0.00 0.00 55.36 54.21 3ial s GLN 231 Cb 0.04 -3.63 -0.03 0.00 0.80 0.00 0.00 33.01 30.19 3ial s GLN 231 CO 0.07 -0.47 1.03 0.21 -0.50 0.00 0.00 175.29 175.63 3ial s LYS 232 N 2.68 4.52 -0.01 1.67 2.20 -1.26 -0.99 119.74 128.54 3ial s LYS 232 Ca 0.34 1.48 -0.04 0.00 -0.36 0.00 0.00 55.97 57.40 3ial s LYS 232 Cb -0.15 -3.45 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3ial s LYS 232 CO 0.08 -0.13 0.07 -0.51 -0.36 0.00 0.00 175.35 174.51 3ial s LEU 233 N 1.18 1.78 -0.31 5.43 1.43 -0.35 -4.27 118.68 123.57 3ial s LEU 233 Ca 0.53 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 3ial s LEU 233 Cb -0.22 0.37 0.00 0.00 0.03 0.00 0.00 46.19 46.37 3ial s LEU 233 CO 0.27 -0.21 1.30 -0.60 0.23 0.00 0.00 176.35 177.34 3ial s ARG 234 N -0.80 3.89 0.38 1.70 6.06 0.15 -0.60 118.95 129.72 3ial s ARG 234 Ca -0.09 1.20 -0.28 0.00 -2.50 0.00 0.00 55.73 54.06 3ial s ARG 234 Cb -0.05 -3.89 -0.11 0.00 0.06 0.00 0.00 34.95 30.96 3ial s ARG 234 CO 0.00 -1.16 1.49 -2.13 -2.50 0.00 0.00 175.30 171.01 3ial n ARG 235 N 7.38 2.68 -1.64 5.12 3.00 0.31 -2.42 116.66 131.09 3ial n ARG 235 Ca 0.15 0.94 -0.44 0.00 -0.00 0.00 0.00 57.85 58.50 3ial n ARG 235 Cb 0.47 -2.67 -0.02 0.00 0.00 0.00 0.00 32.46 30.24 3ial n ARG 235 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3ial n VAL 236 N 0.46 1.79 0.24 5.15 0.24 -0.93 -4.68 118.33 120.60 3ial n VAL 236 Ca 0.01 -0.45 0.08 0.00 -2.04 0.00 0.00 64.34 61.94 3ial n VAL 236 Cb 0.39 -1.26 0.58 0.00 -1.47 0.00 0.00 33.84 32.08 3ial n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ial n TRP 238 N -4.15 0.00 -2.18 0.00 2.14 -1.26 -3.36 117.44 108.63 3ial n TRP 238 Ca -0.02 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.43 3ial n TRP 238 Cb 0.23 -0.40 0.06 0.00 -0.81 0.00 0.00 31.31 30.38 3ial n TRP 238 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 3ial n ASP 239 N -1.40 3.35 -4.74 -0.67 2.03 -0.17 -5.09 116.55 109.86 3ial n ASP 239 Ca 0.08 -3.25 -0.30 0.00 0.52 0.00 0.00 54.79 51.83 3ial n ASP 239 Cb 0.22 -0.40 0.12 0.00 -0.72 0.00 0.00 41.12 40.34 3ial n ASP 239 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ial s ARG 240 N -3.34 1.77 0.17 -0.67 0.52 -1.21 -4.79 118.95 111.40 3ial s ARG 240 Ca 0.42 1.06 -0.34 0.00 -0.52 0.00 0.00 55.73 56.35 3ial s ARG 240 Cb 0.38 -1.85 -0.14 0.00 0.52 0.00 0.00 34.95 33.86 3ial s ARG 240 CO -0.01 -1.95 1.50 0.34 0.02 0.00 0.00 175.30 175.20 3ial n PHE 241 N -3.72 2.12 -1.67 -0.53 7.35 -1.26 -4.85 117.46 114.91 3ial n PHE 241 Ca 0.08 0.36 -0.43 0.00 -0.76 0.00 0.00 57.45 56.71 3ial n PHE 241 Cb 0.54 -2.49 -0.03 0.00 0.35 0.00 0.00 39.48 37.85 3ial n PHE 241 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3ial s PRO 242 N 0.56 3.45 0.00 -7.13 0.02 -1.26 -0.95 135.00 129.69 3ial s PRO 242 Ca 0.77 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3ial s PRO 242 Cb -0.72 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 29.51 3ial s PRO 242 CO 0.42 -1.74 0.00 0.41 -0.33 0.00 0.00 177.00 175.76 3ial n GLY 243 N 5.35 0.58 3.87 0.52 0.00 -1.26 -4.18 105.19 110.06 3ial n GLY 243 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3ial n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ial s ALA 244 N -2.00 3.54 -0.00 4.61 0.00 -0.13 -4.75 121.76 123.02 3ial s ALA 244 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 3ial s ALA 244 Cb 0.00 -2.49 -0.19 0.00 0.00 0.00 0.00 23.12 20.44 3ial s ALA 244 CO 0.00 0.48 1.23 -0.44 0.00 0.00 0.00 175.76 177.03 3ial h ASP 245 N 2.64 0.22 -5.13 0.00 5.19 -0.96 -3.46 116.42 114.92 3ial h ASP 245 Ca -0.47 -0.57 -0.06 0.00 -0.62 0.00 0.00 57.03 55.31 3ial h ASP 245 Cb 1.17 -0.06 -0.13 0.00 0.18 0.00 0.00 39.33 40.49 3ial h ASP 245 CO 0.68 0.75 -0.17 -0.72 -3.12 0.00 0.00 179.24 176.65 3ial s TYR 246 N -3.96 0.02 -0.02 4.55 -0.85 -0.99 -5.04 117.35 111.07 3ial s TYR 246 Ca -0.15 -0.38 0.05 0.00 -0.52 0.00 0.00 57.07 56.08 3ial s TYR 246 Cb 0.03 0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 3ial s TYR 246 CO 0.73 -0.71 -0.17 -1.12 -1.52 0.00 0.00 175.55 172.76 3ial s SER 247 N -2.86 2.04 0.04 -0.18 0.01 -1.26 -1.64 113.70 109.84 3ial s SER 247 Ca 0.07 -0.32 0.07 0.00 1.31 0.00 0.00 55.95 57.09 3ial s SER 247 Cb 0.02 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 3ial s SER 247 CO -0.08 0.21 -0.19 -1.61 0.41 0.00 0.00 173.24 171.98 3ial s GLU 248 N -0.37 2.06 0.04 12.44 2.02 0.59 -0.53 118.70 134.95 3ial s GLU 248 Ca 0.06 -0.98 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 3ial s GLU 248 Cb -0.07 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 3ial s GLU 248 CO -0.00 0.54 0.06 0.14 0.02 0.00 0.00 175.26 176.02 3ial s VAL 249 N -0.89 0.14 -0.35 2.63 -7.23 0.23 -0.82 120.40 114.11 3ial s VAL 249 Ca 0.14 -1.17 -0.09 0.00 -1.81 0.00 0.00 61.98 59.05 3ial s VAL 249 Cb -0.10 -0.90 0.03 0.00 0.56 0.00 0.00 36.38 35.97 3ial s VAL 249 CO 0.04 -0.65 0.15 -0.55 -0.31 0.00 0.00 175.10 173.79 3ial s SER 250 N -2.16 5.50 -0.33 4.85 0.15 -0.91 -1.21 113.70 119.61 3ial s SER 250 Ca -0.05 -1.05 -0.15 0.00 0.70 0.00 0.00 55.95 55.40 3ial s SER 250 Cb -0.01 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.34 3ial s SER 250 CO -0.05 -0.35 0.36 -1.81 1.20 0.00 0.00 173.24 172.59 3ial s ASP 251 N 1.48 6.18 -0.16 5.45 1.01 -0.17 -0.42 116.67 130.05 3ial s ASP 251 Ca 0.00 -0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.07 3ial s ASP 251 Cb -0.19 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 3ial s ASP 251 CO 0.05 -0.30 0.05 -0.69 0.21 0.00 0.00 175.17 174.49 3ial s VAL 252 N 2.02 4.68 -0.22 -1.27 1.01 -0.19 -0.24 120.40 126.20 3ial s VAL 252 Ca 0.12 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 3ial s VAL 252 Cb -0.16 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3ial s VAL 252 CO 0.11 0.51 1.15 -0.69 0.00 0.00 0.00 175.10 176.19 3ial s VAL 253 N -0.01 4.46 0.41 2.92 1.01 -1.26 -0.47 120.40 127.46 3ial s VAL 253 Ca 0.05 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 3ial s VAL 253 Cb -0.12 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3ial s VAL 253 CO 0.01 -0.21 0.65 -0.04 0.00 0.00 0.00 175.10 175.51 3ial s MET 254 N 3.43 3.43 0.60 2.72 -1.94 -0.34 -4.97 119.30 122.23 3ial s MET 254 Ca 0.49 -0.18 0.30 0.00 -1.71 0.00 0.00 55.69 54.59 3ial s MET 254 Cb -0.18 -2.55 1.73 0.00 2.01 0.00 0.00 34.83 35.85 3ial s MET 254 CO 0.12 -0.04 2.12 -1.35 -0.01 0.00 0.00 175.02 175.85 3ial h PRO 255 N 0.51 0.00 0.00 2.03 0.11 -1.86 0.19 132.00 132.98 3ial h PRO 255 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ial h PRO 255 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ial h PRO 255 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 3ial n GLY 257 N 0.91 0.72 3.90 0.00 0.00 0.05 -4.90 105.19 105.87 3ial n GLY 257 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3ial n GLY 257 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ial s ARG 258 N -0.73 3.60 -0.01 1.61 0.52 -1.26 -0.21 118.95 122.47 3ial s ARG 258 Ca 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 3ial s ARG 258 Cb 0.00 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 3ial s ARG 258 CO 0.00 -0.15 0.04 0.14 0.02 0.00 0.00 175.30 175.35 3ial s VAL 259 N -2.63 4.42 -0.16 3.52 -7.23 0.06 -1.20 120.40 117.17 3ial s VAL 259 Ca 0.48 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 3ial s VAL 259 Cb -0.10 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 33.87 3ial s VAL 259 CO 0.41 0.38 -0.18 -0.22 -0.31 0.00 0.00 175.10 175.18 3ial s LEU 260 N -1.60 1.95 -0.31 1.32 2.96 0.38 -1.76 118.68 121.62 3ial s LEU 260 Ca 0.21 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 53.25 3ial s LEU 260 Cb -0.12 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 3ial s LEU 260 CO 0.11 -0.01 1.71 -1.58 -1.32 0.00 0.00 176.35 175.26 3ial s GLN 261 N 1.32 3.47 0.00 1.98 0.74 -1.26 -1.02 119.66 124.89 3ial s GLN 261 Ca 0.04 1.42 0.06 0.00 0.05 0.00 0.00 55.36 56.92 3ial s GLN 261 Cb -0.13 -4.14 -0.01 0.00 1.10 0.00 0.00 33.01 29.83 3ial s GLN 261 CO -0.11 -1.70 0.43 2.41 -0.55 0.00 0.00 175.29 175.78 3ial n THR 262 N 7.17 0.00 -3.79 -0.34 -1.04 0.44 -4.96 114.28 111.77 3ial n THR 262 Ca 0.21 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.05 61.67 3ial n THR 262 Cb 0.46 1.06 -0.10 0.00 -1.82 0.00 0.00 70.33 69.93 3ial n THR 262 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ial s ALA 263 N -1.06 -0.63 -0.08 2.41 0.00 -1.21 -4.59 121.76 116.60 3ial s ALA 263 Ca 0.04 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 3ial s ALA 263 Cb 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.98 3ial s ALA 263 CO 0.15 -0.18 -0.03 0.20 0.00 0.00 0.00 175.76 175.91 3ial s GLY 264 N -0.52 0.58 -0.13 0.00 0.00 -0.91 -2.14 107.32 104.21 3ial s GLY 264 Ca -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 3ial s GLY 264 CO 0.02 0.99 -0.01 -0.42 0.00 0.00 0.00 173.10 173.67 3ial s ILE 265 N 1.81 0.63 -0.01 0.90 1.01 0.00 -0.37 121.20 125.18 3ial s ILE 265 Ca 0.04 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.50 3ial s ILE 265 Cb -0.12 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 3ial s ILE 265 CO -0.06 0.13 -0.18 -1.00 0.00 0.00 0.00 174.94 173.82 3ial s HIS 266 N 1.85 1.65 -0.45 3.97 3.76 0.64 -0.30 115.29 126.41 3ial s HIS 266 Ca 0.03 -0.32 -0.15 0.00 -0.15 0.00 0.00 55.06 54.47 3ial s HIS 266 Cb -0.14 -1.05 0.06 0.00 1.11 0.00 0.00 32.58 32.56 3ial s HIS 266 CO -0.07 -0.01 0.36 1.21 -0.85 0.00 0.00 174.74 175.38 3ial s ASN 267 N -0.54 6.08 0.00 1.40 3.84 -0.65 -1.81 114.94 123.26 3ial s ASN 267 Ca 0.07 -1.25 0.28 0.00 0.21 0.00 0.00 52.86 52.16 3ial s ASN 267 Cb -0.07 -2.16 0.99 0.00 -0.55 0.00 0.00 41.25 39.46 3ial s ASN 267 CO -0.00 -0.59 1.72 0.18 -2.79 0.00 0.00 177.10 175.61 3ial n LEU 268 N 5.16 0.59 0.00 3.21 4.77 -0.17 -0.47 117.00 130.09 3ial n LEU 268 Ca -0.12 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3ial n LEU 268 Cb 0.44 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3ial n LEU 268 CO 0.45 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3ial n GLY 269 N 1.35 3.08 0.54 -0.72 0.00 -1.18 -3.34 105.19 104.93 3ial n GLY 269 Ca 0.12 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3ial n GLY 269 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ial n GLN 270 N 14.00 0.99 0.06 1.61 6.02 -1.26 -1.38 117.38 137.41 3ial n GLN 270 Ca 0.00 -1.29 -0.12 0.00 -0.01 0.00 0.00 57.00 55.58 3ial n GLN 270 Cb 0.00 -1.26 -0.05 0.00 1.02 0.00 0.00 30.24 29.95 3ial n GLN 270 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3ial h ARG 271 N 2.66 -0.44 -0.45 -1.09 2.43 -1.89 -1.72 114.38 113.88 3ial h ARG 271 Ca 0.00 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3ial h ARG 271 Cb 0.57 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3ial h ARG 271 CO 0.00 -0.29 -0.10 0.74 -1.51 0.00 0.00 179.97 178.81 3ial h PHE 272 N -0.46 0.88 -0.79 2.20 0.04 -1.85 -2.61 116.94 114.37 3ial h PHE 272 Ca 0.06 -0.16 0.05 0.00 2.80 0.00 0.00 57.97 60.72 3ial h PHE 272 Cb 0.54 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 3ial h PHE 272 CO -0.34 0.86 0.49 0.77 -0.60 0.00 0.00 178.31 179.50 3ial h SER 273 N 0.73 0.78 -0.24 2.17 0.02 -1.71 0.45 113.55 115.75 3ial h SER 273 Ca 0.12 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3ial h SER 273 Cb 0.59 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3ial h SER 273 CO 0.04 0.52 0.06 -1.28 -1.14 0.00 0.00 176.83 175.03 3ial h SER 274 N 0.92 0.36 -0.60 3.07 0.87 -1.23 0.22 113.55 117.16 3ial h SER 274 Ca 0.33 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3ial h SER 274 Cb 0.10 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3ial h SER 274 CO -0.14 0.49 0.32 0.74 -0.53 0.00 0.00 176.83 177.71 3ial h THR 275 N 0.21 1.20 -0.60 2.23 2.02 -1.00 -3.03 112.91 113.94 3ial h THR 275 Ca 0.08 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3ial h THR 275 Cb 0.27 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3ial h THR 275 CO -0.00 0.22 0.00 0.49 0.37 0.00 0.00 175.52 176.60 3ial n PHE 276 N -4.56 0.92 -3.66 3.16 3.01 0.09 -4.97 117.46 111.44 3ial n PHE 276 Ca 0.04 -0.43 -0.21 0.00 1.01 0.00 0.00 57.45 57.86 3ial n PHE 276 Cb 0.09 -0.05 0.04 0.00 -0.01 0.00 0.00 39.48 39.56 3ial n PHE 276 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3ial n ASP 277 N 1.22 -1.74 -4.58 4.37 8.00 -0.56 -4.68 116.55 118.59 3ial n ASP 277 Ca 0.21 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.52 3ial n ASP 277 Cb 0.57 -4.28 -0.06 0.00 -0.02 0.00 0.00 41.12 37.34 3ial n ASP 277 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ial s ILE 278 N -3.57 4.82 0.01 0.53 1.01 0.68 -4.74 121.20 119.94 3ial s ILE 278 Ca 0.07 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.51 3ial s ILE 278 Cb -0.03 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 3ial s ILE 278 CO 0.80 -0.34 -0.04 -0.76 0.00 0.00 0.00 174.94 174.59 3ial s LEU 279 N 2.88 2.07 0.01 2.97 1.43 -1.26 -4.22 118.68 122.56 3ial s LEU 279 Ca 0.28 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 3ial s LEU 279 Cb -0.14 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.93 3ial s LEU 279 CO 0.15 -0.04 -0.14 -0.72 0.23 0.00 0.00 176.35 175.83 3ial s TYR 280 N -0.44 1.28 -0.23 0.29 -0.85 -0.05 -4.26 117.35 113.09 3ial s TYR 280 Ca -0.02 -0.28 -0.29 0.00 -0.52 0.00 0.00 57.07 55.95 3ial s TYR 280 Cb -0.04 -0.80 0.00 0.00 0.38 0.00 0.00 41.96 41.50 3ial s TYR 280 CO -0.00 0.00 1.15 0.00 -1.52 0.00 0.00 175.55 175.18 3ial s ALA 281 N -0.51 3.61 1.00 9.51 0.00 -0.11 -1.56 121.76 133.69 3ial s ALA 281 Ca 0.04 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 3ial s ALA 281 Cb -0.06 -3.62 0.14 0.00 0.00 0.00 0.00 23.12 19.57 3ial s ALA 281 CO 0.00 -1.26 0.82 0.27 0.00 0.00 0.00 175.76 175.60 3ial n ASN 282 N 6.68 0.06 -0.12 0.00 6.94 -0.41 -1.64 115.26 126.76 3ial n ASN 282 Ca 0.13 -1.30 0.12 0.00 -0.02 0.00 0.00 54.58 53.51 3ial n ASN 282 Cb 0.46 -0.63 0.48 0.00 -2.36 0.00 0.00 39.78 37.73 3ial n ASN 282 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3ial h LYS 283 N 0.00 0.46 -0.69 -3.83 1.79 -1.96 -0.46 116.57 111.87 3ial h LYS 283 Ca -0.27 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3ial h LYS 283 Cb 0.73 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3ial h LYS 283 CO 0.19 0.30 0.00 0.00 -1.08 0.00 0.00 179.45 178.86 3ial n ALA 284 N -2.51 3.29 -1.95 3.86 0.00 -1.26 -4.92 120.51 117.02 3ial n ALA 284 Ca 0.11 -1.23 -0.20 0.00 0.00 0.00 0.00 53.44 52.12 3ial n ALA 284 Cb 0.39 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 3ial n ALA 284 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ial n ASN 285 N 0.50 -5.61 -4.80 0.00 3.02 -0.18 -5.00 115.26 103.19 3ial n ASN 285 Ca 0.18 0.27 -0.38 0.00 -0.03 0.00 0.00 54.58 54.62 3ial n ASN 285 Cb 0.82 -4.78 -0.06 0.00 -0.61 0.00 0.00 39.78 35.15 3ial n ASN 285 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ial s GLU 286 N -4.31 4.32 -0.32 3.52 2.02 -1.26 -4.79 118.70 117.88 3ial s GLU 286 Ca 0.00 0.89 -0.22 0.00 0.02 0.00 0.00 54.97 55.66 3ial s GLU 286 Cb 0.00 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.09 3ial s GLU 286 CO 0.00 0.55 0.74 0.45 0.02 0.00 0.00 175.26 177.02 3ial s SER 287 N -1.29 6.58 0.03 -0.19 0.15 -1.26 -1.29 113.70 116.43 3ial s SER 287 Ca 0.35 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.50 3ial s SER 287 Cb -0.20 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 3ial s SER 287 CO 0.22 -0.61 -0.04 0.68 1.20 0.00 0.00 173.24 174.69 3ial s VAL 288 N 2.88 0.24 -0.07 4.45 -7.23 -0.60 -4.95 120.40 115.12 3ial s VAL 288 Ca 0.30 -1.16 -0.27 0.00 -1.81 0.00 0.00 61.98 59.04 3ial s VAL 288 Cb -0.14 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 3ial s VAL 288 CO 0.13 -0.59 0.86 -1.00 -0.31 0.00 0.00 175.10 174.19 3ial s HIS 289 N -2.01 3.56 0.83 2.82 3.76 -1.26 -0.87 115.29 122.13 3ial s HIS 289 Ca -0.09 1.45 -0.12 0.00 -0.15 0.00 0.00 55.06 56.14 3ial s HIS 289 Cb -0.06 -3.00 0.10 0.00 1.11 0.00 0.00 32.58 30.72 3ial s HIS 289 CO -0.03 -0.05 1.19 -1.25 -0.85 0.00 0.00 174.74 173.75 3ial s PRO 290 N 1.30 1.76 -0.12 8.40 0.04 -1.26 -4.99 135.00 140.14 3ial s PRO 290 Ca 0.44 0.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.50 3ial s PRO 290 Cb -0.19 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3ial s PRO 290 CO 0.20 -1.73 0.12 0.71 0.04 0.00 0.00 177.00 176.34 3ial s TYR 291 N -3.57 3.55 -0.03 0.56 2.02 0.30 -4.53 117.35 115.66 3ial s TYR 291 Ca 0.63 0.49 0.06 0.00 -0.37 0.00 0.00 57.07 57.88 3ial s TYR 291 Cb -0.11 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 3ial s TYR 291 CO 0.50 0.71 -0.18 -0.51 -1.57 0.00 0.00 175.55 174.49 3ial s LEU 292 N -1.00 2.51 0.09 -1.29 1.43 -0.48 0.83 118.68 120.76 3ial s LEU 292 Ca 0.15 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3ial s LEU 292 Cb -0.12 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3ial s LEU 292 CO 0.04 0.32 -0.09 0.42 0.23 0.00 0.00 176.35 177.27 3ial s THR 293 N -0.73 0.87 0.12 5.49 -4.23 -0.65 -1.00 115.64 115.51 3ial s THR 293 Ca 0.12 -1.64 -0.09 0.00 -1.18 0.00 0.00 61.69 58.90 3ial s THR 293 Cb -0.10 -1.35 -0.00 0.00 1.34 0.00 0.00 72.50 72.39 3ial s THR 293 CO 0.01 -0.59 0.23 0.00 -0.54 0.00 0.00 174.62 173.73 3ial s ALA 295 N -3.90 -0.83 -0.01 0.00 0.00 -0.32 -0.26 121.76 116.43 3ial s ALA 295 Ca 0.10 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3ial s ALA 295 Cb 0.04 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3ial s ALA 295 CO -0.07 -0.18 0.02 0.20 0.00 0.00 0.00 175.76 175.73 3ial s GLY 296 N -0.12 0.06 0.05 0.00 0.00 0.50 -0.68 107.32 107.12 3ial s GLY 296 Ca -0.03 0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.89 3ial s GLY 296 CO 0.01 0.38 -0.10 -0.26 0.00 0.00 0.00 173.10 173.13 3ial s ILE 297 N 0.60 0.79 0.00 0.90 -4.36 -0.80 -2.15 121.20 116.18 3ial s ILE 297 Ca -0.05 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 3ial s ILE 297 Cb -0.07 -0.79 0.00 0.00 1.25 0.00 0.00 42.46 42.85 3ial s ILE 297 CO -0.02 -0.24 0.00 -1.54 0.24 0.00 0.00 174.94 173.39 3ial n SER 298 N 1.59 0.84 0.15 4.36 3.41 -1.26 -0.80 113.62 121.91 3ial n SER 298 Ca -0.21 -0.42 0.10 0.00 -0.26 0.00 0.00 58.87 58.09 3ial n SER 298 Cb 0.55 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.04 3ial n SER 298 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ial n THR 299 N 0.00 1.10 0.26 6.66 -2.24 -0.99 -2.42 114.28 116.65 3ial n THR 299 Ca 0.00 0.71 0.09 0.00 -2.27 0.00 0.00 64.05 62.57 3ial n THR 299 Cb 0.00 -1.70 0.65 0.00 -2.10 0.00 0.00 70.33 67.18 3ial n THR 299 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3ial h ARG 300 N 0.00 0.00 0.16 -0.78 3.08 -1.86 -1.74 114.38 113.23 3ial h ARG 300 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3ial h ARG 300 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3ial h ARG 300 CO 0.00 0.06 -0.07 0.28 -1.07 0.00 0.00 179.97 179.17 3ial h VAL 301 N 0.00 0.88 -0.40 2.04 2.07 -1.74 -0.42 116.25 118.67 3ial h VAL 301 Ca -0.00 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3ial h VAL 301 Cb 0.12 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3ial h VAL 301 CO 0.01 0.03 0.09 0.25 0.02 0.00 0.00 177.57 177.97 3ial h LEU 302 N -0.27 0.02 -0.56 2.57 5.85 -1.67 -1.76 115.31 119.49 3ial h LEU 302 Ca -0.02 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3ial h LEU 302 Cb 0.21 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.23 3ial h LEU 302 CO 0.04 0.05 -0.06 0.00 -0.34 0.00 0.00 178.44 178.13 3ial h ALA 303 N 1.30 0.48 0.24 1.25 0.00 -0.97 -0.66 119.26 120.90 3ial h ALA 303 Ca 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3ial h ALA 303 Cb 0.23 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ial h ALA 303 CO -0.25 -0.41 -0.12 0.00 0.00 0.00 0.00 179.25 178.47 3ial h ALA 305 N 0.38 -0.01 -0.42 0.00 0.00 -0.87 0.17 119.26 118.51 3ial h ALA 305 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ial h ALA 305 Cb 0.29 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3ial h ALA 305 CO 0.05 -0.57 0.22 -0.07 0.00 0.00 0.00 179.25 178.89 3ial h LEU 306 N -0.14 0.54 -0.19 0.00 3.38 -1.11 -2.84 115.31 114.95 3ial h LEU 306 Ca 0.11 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3ial h LEU 306 Cb 0.30 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ial h LEU 306 CO -0.26 0.49 -0.30 0.28 0.09 0.00 0.00 178.44 178.74 3ial h SER 307 N 0.55 0.59 -0.25 -0.43 0.02 -0.69 -1.54 113.55 111.80 3ial h SER 307 Ca 0.15 -0.53 -0.13 0.00 -0.84 0.00 0.00 61.79 60.44 3ial h SER 307 Cb 0.08 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3ial h SER 307 CO -0.02 1.01 -0.35 0.40 -1.14 0.00 0.00 176.83 176.72 3ial h ILE 308 N 0.20 1.31 0.00 3.27 2.04 -0.73 -3.26 117.51 120.34 3ial h ILE 308 Ca 0.02 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.33 3ial h ILE 308 Cb 0.88 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3ial h ILE 308 CO 0.07 0.49 -0.25 0.45 0.00 0.00 0.00 178.15 178.91 3ial h HIS 309 N 0.39 0.00 -4.24 1.37 3.86 -1.58 -3.48 115.15 111.47 3ial h HIS 309 Ca 0.03 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.71 3ial h HIS 309 Cb 0.94 0.00 0.19 0.00 1.06 0.00 0.00 27.41 29.59 3ial h HIS 309 CO 0.08 0.00 0.28 0.20 0.86 0.00 0.00 177.93 179.35 3ial s GLY 310 N -4.21 1.91 0.00 2.45 0.00 -0.58 -4.40 107.32 102.48 3ial s GLY 310 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.47 3ial s GLY 310 CO 0.70 1.12 0.00 2.09 0.00 0.00 0.00 173.10 177.00 3ial n ASP 311 N -3.77 0.13 0.21 1.64 5.68 -0.26 -4.94 116.55 115.25 3ial n ASP 311 Ca 0.13 -0.85 0.15 0.00 -0.50 0.00 0.00 54.79 53.71 3ial n ASP 311 Cb 0.51 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.12 3ial n ASP 311 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3ial h SER 312 N 0.00 0.00 0.95 -1.12 4.64 -1.92 -1.71 113.55 114.39 3ial h SER 312 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ial h SER 312 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ial h SER 312 CO 0.00 0.00 -0.37 0.61 -0.87 0.00 0.00 176.83 176.20 3ial n GLY 313 N -0.10 -1.46 0.00 -0.77 0.00 -1.26 -3.22 105.19 98.37 3ial n GLY 313 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3ial n GLY 313 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ial n GLY 314 N 1.39 0.22 3.83 -0.02 0.00 -0.65 -3.39 105.19 106.56 3ial n GLY 314 Ca 0.05 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 3ial n GLY 314 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ial s LEU 315 N 0.00 3.70 -0.22 0.99 1.43 -0.71 -1.10 118.68 122.77 3ial s LEU 315 Ca 0.00 1.68 -0.04 0.00 -1.03 0.00 0.00 54.13 54.74 3ial s LEU 315 Cb 0.00 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.77 3ial s LEU 315 CO 0.00 -0.66 0.09 -0.69 0.23 0.00 0.00 176.35 175.32 3ial s VAL 316 N -2.42 0.11 -0.20 -1.59 1.01 -1.26 -3.34 120.40 112.71 3ial s VAL 316 Ca 0.61 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 3ial s VAL 316 Cb -0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3ial s VAL 316 CO 0.27 -0.44 0.14 -0.76 0.00 0.00 0.00 175.10 174.31 3ial s LEU 317 N 2.03 4.20 0.60 3.92 1.43 -1.08 -4.50 118.68 125.29 3ial s LEU 317 Ca 0.04 0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.19 3ial s LEU 317 Cb -0.16 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3ial s LEU 317 CO -0.19 0.16 1.18 -2.65 0.23 0.00 0.00 176.35 175.09 3ial n PRO 318 N 3.59 1.16 -0.26 1.29 -0.02 -1.26 -4.60 135.00 134.90 3ial n PRO 318 Ca -0.16 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 3ial n PRO 318 Cb 0.52 -2.40 0.38 0.00 -0.02 0.00 0.00 33.50 31.98 3ial n PRO 318 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ial h PRO 319 N 0.73 0.68 -0.88 0.52 0.11 -1.92 -2.25 132.00 128.98 3ial h PRO 319 Ca -0.50 -0.04 0.17 0.00 0.11 0.00 0.00 66.00 65.74 3ial h PRO 319 Cb 1.34 -0.15 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 3ial h PRO 319 CO 0.53 0.45 0.45 1.25 -0.21 0.00 0.00 178.00 180.47 3ial h LEU 320 N 0.70 0.51 -2.55 2.35 5.85 -1.91 -2.75 115.31 117.50 3ial h LEU 320 Ca 0.43 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.26 3ial h LEU 320 Cb 0.67 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3ial h LEU 320 CO -0.19 0.16 0.00 2.30 -0.34 0.00 0.00 178.44 180.37 3ial n ILE 321 N -4.91 0.77 -2.55 4.05 -5.35 -0.87 -4.86 119.36 105.63 3ial n ILE 321 Ca 0.19 -0.88 -0.43 0.00 -0.27 0.00 0.00 62.75 61.36 3ial n ILE 321 Cb 0.52 0.69 -0.02 0.00 -1.74 0.00 0.00 39.64 39.09 3ial n ILE 321 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ial s ALA 322 N -1.08 3.11 0.46 -1.28 0.00 -1.04 -4.46 121.76 117.47 3ial s ALA 322 Ca 0.31 -0.46 0.19 0.00 0.00 0.00 0.00 51.96 51.99 3ial s ALA 322 Cb 0.17 -3.92 1.17 0.00 0.00 0.00 0.00 23.12 20.53 3ial s ALA 322 CO 0.23 -2.34 1.95 -1.35 0.00 0.00 0.00 175.76 174.24 3ial h PRO 323 N 9.55 0.27 -4.55 0.00 0.11 -1.89 -3.36 132.00 132.13 3ial h PRO 323 Ca -0.24 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.28 3ial h PRO 323 Cb 1.07 -0.06 -0.36 0.00 0.11 0.00 0.00 31.00 31.76 3ial h PRO 323 CO 1.13 0.18 -0.82 0.42 -0.21 0.00 0.00 178.00 178.69 3ial s ILE 324 N -5.28 1.37 0.08 4.15 1.01 -1.26 -4.84 121.20 116.44 3ial s ILE 324 Ca -0.07 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 3ial s ILE 324 Cb 0.21 -1.30 -0.17 0.00 0.01 0.00 0.00 42.46 41.21 3ial s ILE 324 CO 0.75 0.42 1.27 0.45 0.00 0.00 0.00 174.94 177.84 3ial h HIS 325 N 7.86 0.97 -3.41 3.97 3.86 -0.97 -3.38 115.15 124.05 3ial h HIS 325 Ca -0.34 -0.43 -0.39 0.00 -1.16 0.00 0.00 60.37 58.05 3ial h HIS 325 Cb 1.15 -0.15 -0.35 0.00 1.06 0.00 0.00 27.41 29.12 3ial h HIS 325 CO 0.48 1.26 -0.76 0.08 0.86 0.00 0.00 177.93 179.84 3ial s VAL 326 N -3.70 0.33 -0.22 2.45 1.01 -1.00 -1.87 120.40 117.40 3ial s VAL 326 Ca -0.11 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 3ial s VAL 326 Cb 0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3ial s VAL 326 CO 0.88 0.20 0.10 0.54 0.00 0.00 0.00 175.10 176.82 3ial s VAL 327 N 1.28 4.88 -0.23 2.92 0.11 -0.59 -1.58 120.40 127.20 3ial s VAL 327 Ca -0.06 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 3ial s VAL 327 Cb -0.13 -3.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.43 3ial s VAL 327 CO -0.02 0.39 0.09 -0.63 -3.33 0.00 0.00 175.10 171.60 3ial s ILE 328 N 0.88 4.66 -0.21 7.04 1.01 0.20 -0.73 121.20 134.04 3ial s ILE 328 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3ial s ILE 328 Cb -0.13 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 39.22 3ial s ILE 328 CO 0.03 0.37 -0.13 -0.63 0.00 0.00 0.00 174.94 174.57 3ial s ILE 329 N 1.17 1.89 0.12 2.92 1.01 0.58 -2.00 121.20 126.90 3ial s ILE 329 Ca 0.05 -1.15 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 3ial s ILE 329 Cb -0.14 -1.90 -0.08 0.00 0.01 0.00 0.00 42.46 40.35 3ial s ILE 329 CO 0.04 0.22 1.39 -2.16 0.00 0.00 0.00 174.94 174.43 3ial s PRO 330 N 1.29 4.32 0.21 2.79 0.04 -1.26 -1.84 135.00 140.55 3ial s PRO 330 Ca -0.02 2.08 0.10 0.00 0.04 0.00 0.00 61.00 63.21 3ial s PRO 330 Cb -0.16 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 3ial s PRO 330 CO -0.09 -0.43 -0.14 0.96 0.04 0.00 0.00 177.00 177.35 3ial s ILE 331 N 1.02 2.91 -1.39 0.56 -4.36 0.53 -4.73 121.20 115.74 3ial s ILE 331 Ca 0.64 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 3ial s ILE 331 Cb -0.37 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 40.88 3ial s ILE 331 CO 0.31 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.91 3ial n GLY 332 N -0.12 1.01 3.97 6.27 0.00 -1.26 -4.28 105.19 110.79 3ial n GLY 332 Ca -0.10 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 3ial n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ial n GLY 334 N -2.42 0.45 3.72 0.00 0.00 -1.26 -5.03 105.19 100.66 3ial n GLY 334 Ca 0.08 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3ial n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ial s LYS 335 N -0.48 1.11 0.04 1.61 1.02 -1.26 -4.95 119.74 116.82 3ial s LYS 335 Ca 0.00 0.65 -0.30 0.00 0.02 0.00 0.00 55.97 56.34 3ial s LYS 335 Cb 0.00 -1.81 -0.08 0.00 -0.52 0.00 0.00 37.83 35.43 3ial s LYS 335 CO 0.00 -2.30 1.66 0.21 -0.92 0.00 0.00 175.35 174.00 3ial s LYS 336 N -5.01 4.19 -1.23 1.68 2.20 -1.26 -3.44 119.74 116.88 3ial s LYS 336 Ca 0.64 2.30 -0.06 0.00 -0.36 0.00 0.00 55.97 58.49 3ial s LYS 336 Cb -0.17 -3.72 0.01 0.00 -1.51 0.00 0.00 37.83 32.43 3ial s LYS 336 CO 0.56 -0.77 1.06 -1.71 -0.36 0.00 0.00 175.35 174.14 3ial n ASN 337 N 6.07 -4.88 -1.51 1.43 5.15 -1.26 -4.91 115.26 115.34 3ial n ASN 337 Ca 0.16 -0.53 0.02 0.00 -0.60 0.00 0.00 54.58 53.64 3ial n ASN 337 Cb 0.41 -4.78 0.07 0.00 -0.53 0.00 0.00 39.78 34.95 3ial n ASN 337 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3ial n ASN 338 N -2.82 1.48 0.14 1.20 5.15 -1.22 -4.87 115.26 114.31 3ial n ASN 338 Ca -0.08 -2.55 -0.00 0.00 -0.60 0.00 0.00 54.58 51.35 3ial n ASN 338 Cb 0.59 -0.38 0.27 0.00 -0.53 0.00 0.00 39.78 39.73 3ial n ASN 338 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3ial h GLN 339 N 1.30 0.10 0.03 1.20 7.50 -1.91 -2.30 115.11 121.03 3ial h GLN 339 Ca -0.13 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 58.97 3ial h GLN 339 Cb 1.58 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.11 3ial h GLN 339 CO 0.13 0.52 -0.02 1.49 -1.50 0.00 0.00 178.83 179.45 3ial h GLU 340 N 0.09 -0.04 -0.21 1.46 4.81 -2.00 -2.57 114.58 116.11 3ial h GLU 340 Ca 0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3ial h GLU 340 Cb 0.80 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3ial h GLU 340 CO 0.06 0.20 -0.12 1.03 -0.73 0.00 0.00 179.01 179.46 3ial h SER 341 N -0.29 0.31 -0.37 1.04 0.87 -1.93 -2.50 113.55 110.69 3ial h SER 341 Ca -0.00 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3ial h SER 341 Cb 0.27 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3ial h SER 341 CO 0.01 0.47 0.06 0.44 -0.53 0.00 0.00 176.83 177.27 3ial h ASP 342 N 0.31 0.59 0.59 6.23 3.32 -1.35 -1.61 116.42 124.51 3ial h ASP 342 Ca 0.06 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 3ial h ASP 342 Cb 0.40 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3ial h ASP 342 CO 0.02 0.70 -0.30 1.56 -1.72 0.00 0.00 179.24 179.51 3ial h GLN 343 N 0.46 0.00 -0.12 3.56 1.08 -1.24 0.60 115.11 119.44 3ial h GLN 343 Ca 0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3ial h GLN 343 Cb 0.36 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3ial h GLN 343 CO 0.01 0.30 -0.02 1.96 -0.95 0.00 0.00 178.83 180.13 3ial h GLN 344 N 0.00 0.23 -0.37 1.46 4.20 -1.29 -0.38 115.11 118.96 3ial h GLN 344 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3ial h GLN 344 Cb 0.67 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 3ial h GLN 344 CO 0.04 0.50 0.23 0.28 -0.67 0.00 0.00 178.83 179.21 3ial h VAL 345 N -0.07 1.11 -0.50 -0.54 2.07 -0.89 -1.35 116.25 116.09 3ial h VAL 345 Ca 0.03 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 3ial h VAL 345 Cb 0.41 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3ial h VAL 345 CO 0.01 0.11 -0.15 -0.07 0.02 0.00 0.00 177.57 177.48 3ial h LEU 346 N 0.49 0.98 -0.65 2.57 3.38 -0.92 -0.25 115.31 120.90 3ial h LEU 346 Ca 0.13 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3ial h LEU 346 Cb -0.03 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3ial h LEU 346 CO -0.03 1.12 0.38 1.23 0.09 0.00 0.00 178.44 181.23 3ial h GLY 347 N 0.93 0.94 1.53 0.83 0.00 -0.89 -0.97 103.07 105.44 3ial h GLY 347 Ca 0.13 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 3ial h GLY 347 CO 0.05 0.21 -0.68 1.70 0.00 0.00 0.00 176.54 177.82 3ial h LYS 348 N 0.74 0.47 -0.81 4.80 1.63 -1.04 -2.00 116.57 120.35 3ial h LYS 348 Ca 0.27 -0.35 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3ial h LYS 348 Cb 0.09 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 3ial h LYS 348 CO -0.14 0.98 0.54 0.28 -3.45 0.00 0.00 179.45 177.66 3ial h VAL 349 N 0.33 1.21 -0.38 2.00 2.07 -0.76 -1.47 116.25 119.24 3ial h VAL 349 Ca -0.02 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 3ial h VAL 349 Cb 1.25 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3ial h VAL 349 CO 0.12 0.20 -0.17 0.78 0.02 0.00 0.00 177.57 178.52 3ial h ASN 350 N 1.10 0.71 -0.72 0.57 2.35 -1.03 -2.00 115.58 116.56 3ial h ASN 350 Ca 0.30 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3ial h ASN 350 Cb -0.13 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 3ial h ASN 350 CO -0.06 0.89 0.22 -0.33 -1.65 0.00 0.00 177.43 176.50 3ial h GLU 351 N 0.64 1.13 -0.07 0.81 5.08 -0.92 -0.81 114.58 120.44 3ial h GLU 351 Ca 0.10 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3ial h GLU 351 Cb 0.65 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3ial h GLU 351 CO 0.05 0.97 -0.01 0.82 -1.00 0.00 0.00 179.01 179.84 3ial h ILE 352 N 1.07 1.27 -0.28 3.13 2.04 -1.19 -2.20 117.51 121.35 3ial h ILE 352 Ca 0.23 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.30 3ial h ILE 352 Cb 0.31 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3ial h ILE 352 CO -0.01 0.23 0.04 0.00 0.00 0.00 0.00 178.15 178.41 3ial h ALA 353 N 0.70 0.27 -0.91 1.87 0.00 -1.25 -0.70 119.26 119.25 3ial h ALA 353 Ca 0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ial h ALA 353 Cb 0.37 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3ial h ALA 353 CO 0.00 -0.38 0.59 -0.44 0.00 0.00 0.00 179.25 179.03 3ial h ASP 354 N 0.13 0.99 -0.25 0.00 3.32 -1.15 0.10 116.42 119.57 3ial h ASP 354 Ca 0.13 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3ial h ASP 354 Cb 0.15 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3ial h ASP 354 CO -0.19 0.68 -0.06 0.74 -1.72 0.00 0.00 179.24 178.70 3ial h THR 355 N 1.16 1.28 -0.48 0.35 2.02 -0.98 -1.20 112.91 115.05 3ial h THR 355 Ca 0.36 -1.06 -0.11 0.00 0.77 0.00 0.00 66.41 66.37 3ial h THR 355 Cb -0.02 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3ial h THR 355 CO -0.11 0.33 -0.12 -0.07 0.37 0.00 0.00 175.52 175.92 3ial h LEU 356 N 0.22 0.90 0.14 2.58 3.38 -0.80 -1.32 115.31 120.41 3ial h LEU 356 Ca 0.06 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3ial h LEU 356 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3ial h LEU 356 CO 0.02 1.03 -0.07 0.11 0.09 0.00 0.00 178.44 179.63 3ial h LYS 357 N 0.81 -0.18 0.13 1.13 1.57 -0.83 -2.06 116.57 117.14 3ial h LYS 357 Ca 0.13 0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.67 3ial h LYS 357 Cb 0.65 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.01 3ial h LYS 357 CO 0.05 0.27 -1.20 0.77 -0.57 0.00 0.00 179.45 178.76 3ial h SER 358 N -0.74 0.44 0.23 0.86 0.02 -1.27 -2.48 113.55 110.62 3ial h SER 358 Ca -0.02 -0.89 -0.31 0.00 -0.84 0.00 0.00 61.79 59.72 3ial h SER 358 Cb 0.53 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 62.96 3ial h SER 358 CO 0.03 1.54 -1.40 0.11 -1.14 0.00 0.00 176.83 175.98 3ial h LYS 359 N -0.30 0.49 0.00 3.45 1.57 -1.40 -3.38 116.57 117.00 3ial h LYS 359 Ca -0.24 -0.84 0.00 0.00 -1.87 0.00 0.00 60.65 57.70 3ial h LYS 359 Cb 1.74 0.31 0.00 0.00 0.08 0.00 0.00 32.23 34.37 3ial h LYS 359 CO 0.10 1.40 -1.63 1.28 -0.57 0.00 0.00 179.45 180.04 3ial n LEU 360 N -3.78 0.29 0.00 2.94 4.77 -1.18 -5.01 117.00 115.03 3ial n LEU 360 Ca -0.17 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3ial n LEU 360 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 3ial n LEU 360 CO 0.58 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3ial n GLY 361 N 1.38 0.49 3.81 -0.72 0.00 -0.93 -5.01 105.19 104.22 3ial n GLY 361 Ca -0.01 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3ial n GLY 361 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ial s LEU 362 N 0.00 3.47 -0.30 0.99 1.43 -0.80 -4.97 118.68 118.50 3ial s LEU 362 Ca 0.00 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 54.64 3ial s LEU 362 Cb 0.00 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 3ial s LEU 362 CO 0.00 -1.08 0.61 -0.13 0.23 0.00 0.00 176.35 175.98 3ial s ARG 363 N -4.21 3.90 -0.05 1.70 0.52 -1.26 -4.12 118.95 115.43 3ial s ARG 363 Ca 0.62 0.27 0.04 0.00 -0.52 0.00 0.00 55.73 56.14 3ial s ARG 363 Cb -0.15 -3.73 -0.00 0.00 0.52 0.00 0.00 34.95 31.60 3ial s ARG 363 CO 0.38 -0.56 -0.18 0.08 0.02 0.00 0.00 175.30 175.05 3ial s VAL 364 N 2.58 1.47 -0.02 3.52 1.01 -1.26 -0.53 120.40 127.17 3ial s VAL 364 Ca 0.25 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3ial s VAL 364 Cb -0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3ial s VAL 364 CO 0.12 0.42 -0.26 -0.55 0.00 0.00 0.00 175.10 174.83 3ial s SER 365 N 0.09 3.04 -0.21 3.32 0.15 -0.61 -5.01 113.70 114.47 3ial s SER 365 Ca -0.05 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.08 3ial s SER 365 Cb -0.12 -0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 3ial s SER 365 CO 0.03 0.32 -0.01 -0.63 1.20 0.00 0.00 173.24 174.14 3ial s ILE 366 N -0.61 3.74 -0.89 6.45 1.01 -1.26 -0.63 121.20 129.01 3ial s ILE 366 Ca 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 3ial s ILE 366 Cb -0.10 -2.70 0.23 0.00 0.01 0.00 0.00 42.46 39.90 3ial s ILE 366 CO -0.01 0.42 0.82 -0.62 0.00 0.00 0.00 174.94 175.55 3ial s ASP 367 N 1.24 6.58 -0.28 3.58 -1.08 -0.85 -4.86 116.67 121.01 3ial s ASP 367 Ca 0.03 -3.13 0.12 0.00 -0.52 0.00 0.00 52.55 49.06 3ial s ASP 367 Cb -0.15 -2.11 0.77 0.00 -1.46 0.00 0.00 42.92 39.97 3ial s ASP 367 CO 0.00 -0.40 1.77 -0.90 0.52 0.00 0.00 175.17 176.16 3ial n ASP 368 N 3.30 5.14 -4.56 -0.34 3.85 -1.26 -4.22 116.55 118.46 3ial n ASP 368 Ca 0.17 -3.11 -0.40 0.00 -0.71 0.00 0.00 54.79 50.73 3ial n ASP 368 Cb 0.42 -0.71 -0.03 0.00 -1.35 0.00 0.00 41.12 39.45 3ial n ASP 368 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3ial s ASP 369 N -1.01 5.84 0.00 -1.12 3.68 -1.26 -4.85 116.67 117.95 3ial s ASP 369 Ca 0.54 0.08 0.24 0.00 2.13 0.00 0.00 52.55 55.54 3ial s ASP 369 Cb 0.43 -2.54 1.03 0.00 -1.45 0.00 0.00 42.92 40.39 3ial s ASP 369 CO 0.14 -1.98 1.77 0.49 0.13 0.00 0.00 175.17 175.72 3ial n PHE 370 N 10.61 0.00 0.36 -5.34 3.72 -1.26 -3.04 117.46 122.51 3ial n PHE 370 Ca 0.12 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.66 3ial n PHE 370 Cb 0.50 -0.50 0.45 0.00 -0.94 0.00 0.00 39.48 38.99 3ial n PHE 370 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ial h SER 371 N 0.00 0.00 -2.69 4.37 4.64 -2.02 -3.45 113.55 114.40 3ial h SER 371 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3ial h SER 371 Cb 0.42 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.43 3ial h SER 371 CO 0.00 0.00 -0.47 -0.54 -0.87 0.00 0.00 176.83 174.95 3ial s LYS 372 N -3.36 3.50 0.66 4.77 1.02 -1.17 -5.09 119.74 120.08 3ial s LYS 372 Ca 0.05 -0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.75 3ial s LYS 372 Cb 0.09 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3ial s LYS 372 CO 0.55 0.75 1.26 0.45 -0.92 0.00 0.00 175.35 177.44 3ial s SER 373 N -0.94 4.61 0.30 2.83 0.15 -1.26 -4.91 113.70 114.47 3ial s SER 373 Ca 0.15 2.52 0.01 0.00 0.70 0.00 0.00 55.95 59.32 3ial s SER 373 Cb -0.12 -2.61 0.46 0.00 -1.71 0.00 0.00 66.02 62.04 3ial s SER 373 CO 0.04 -2.00 1.83 -0.03 1.20 0.00 0.00 173.24 174.29 3ial h MET 374 N 0.41 0.72 -0.57 5.44 4.05 -1.97 -2.46 114.93 120.55 3ial h MET 374 Ca -0.50 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 58.74 3ial h MET 374 Cb 1.32 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.99 3ial h MET 374 CO 0.53 0.69 0.26 0.78 0.23 0.00 0.00 176.91 179.40 3ial h GLY 375 N 0.92 0.88 1.28 1.39 0.00 -2.00 -1.13 103.07 104.42 3ial h GLY 375 Ca 0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3ial h GLY 375 CO 0.00 0.42 0.05 -0.55 0.00 0.00 0.00 176.54 176.47 3ial h ASP 376 N 0.77 0.84 0.03 0.19 3.32 -1.90 -2.04 116.42 117.63 3ial h ASP 376 Ca 0.19 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ial h ASP 376 Cb 0.14 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3ial h ASP 376 CO -0.02 0.87 -0.02 0.11 -1.72 0.00 0.00 179.24 178.46 3ial h LYS 377 N 0.83 -0.04 -0.19 3.56 1.57 -1.23 -2.15 116.57 118.92 3ial h LYS 377 Ca 0.17 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3ial h LYS 377 Cb 0.42 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 3ial h LYS 377 CO 0.01 0.30 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.78 3ial h LEU 378 N -0.40 -1.09 -0.69 2.94 4.07 -1.17 -1.61 115.31 117.36 3ial h LEU 378 Ca -0.00 0.16 0.10 0.00 0.08 0.00 0.00 57.88 58.22 3ial h LEU 378 Cb 0.37 0.47 -0.07 0.00 1.08 0.00 0.00 40.66 42.50 3ial h LEU 378 CO 0.01 -0.37 0.32 0.22 -1.08 0.00 0.00 178.44 177.54 3ial h TYR 379 N -0.39 0.57 -0.09 1.13 3.20 -1.40 -1.07 116.97 118.92 3ial h TYR 379 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3ial h TYR 379 Cb 0.56 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 3ial h TYR 379 CO -0.45 0.18 0.01 -0.92 -1.64 0.00 0.00 178.16 175.33 3ial h TYR 380 N 0.54 0.17 0.00 -3.82 3.20 -0.81 -0.31 116.97 115.94 3ial h TYR 380 Ca 0.35 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.09 3ial h TYR 380 Cb 0.41 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3ial h TYR 380 CO -0.13 0.40 -0.48 1.88 -1.64 0.00 0.00 178.16 178.19 3ial h TYR 381 N -0.11 0.00 0.30 -3.82 0.05 -1.20 -1.21 116.97 110.99 3ial h TYR 381 Ca 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3ial h TYR 381 Cb 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 3ial h TYR 381 CO 0.03 0.48 -0.15 1.49 -1.05 0.00 0.00 178.16 178.96 3ial h GLU 382 N 0.00 -0.39 -0.94 4.88 4.57 -1.11 -2.24 114.58 119.34 3ial h GLU 382 Ca -0.00 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.31 3ial h GLU 382 Cb 1.05 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.65 3ial h GLU 382 CO 0.06 -0.14 0.57 1.25 -1.18 0.00 0.00 179.01 179.57 3ial h LEU 383 N -0.60 0.83 -0.08 1.64 6.46 -0.82 -1.92 115.31 120.83 3ial h LEU 383 Ca -0.04 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3ial h LEU 383 Cb 0.43 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 3ial h LEU 383 CO 0.07 0.45 -0.05 0.29 -0.62 0.00 0.00 178.44 178.58 3ial n LYS 384 N -4.67 0.49 -1.28 1.25 4.76 -0.48 -1.73 118.16 116.50 3ial n LYS 384 Ca 0.17 -0.08 -0.03 0.00 -2.87 0.00 0.00 58.31 55.50 3ial n LYS 384 Cb 0.32 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 3ial n LYS 384 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ial n GLY 385 N 1.30 0.51 3.67 0.72 0.00 -0.72 -4.85 105.19 105.82 3ial n GLY 385 Ca 0.14 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 3ial n GLY 385 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ial n VAL 386 N -3.15 0.68 -0.13 1.61 0.31 -0.99 -2.65 118.33 114.01 3ial n VAL 386 Ca -0.03 -0.12 -0.04 0.00 -0.01 0.00 0.00 64.34 64.14 3ial n VAL 386 Cb 0.18 -2.25 0.02 0.00 -0.91 0.00 0.00 33.84 30.87 3ial n VAL 386 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3ial h PRO 387 N 10.12 -0.05 -5.56 5.55 0.11 -1.73 -3.40 132.00 137.04 3ial h PRO 387 Ca -0.49 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.04 3ial h PRO 387 Cb 1.24 0.01 -0.31 0.00 0.11 0.00 0.00 31.00 32.05 3ial h PRO 387 CO 0.94 -0.03 -0.84 -0.51 -0.21 0.00 0.00 178.00 177.35 3ial s LEU 388 N -10.66 1.97 -0.16 2.35 1.43 -0.78 0.32 118.68 113.15 3ial s LEU 388 Ca -0.14 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3ial s LEU 388 Cb 0.15 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 3ial s LEU 388 CO 0.71 0.19 -0.07 -0.60 0.23 0.00 0.00 176.35 176.81 3ial s ARG 389 N -0.15 3.53 -0.22 1.70 3.52 -0.45 -1.54 118.95 125.35 3ial s ARG 389 Ca 0.00 -0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 54.96 3ial s ARG 389 Cb -0.10 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.44 3ial s ARG 389 CO 0.01 0.17 -0.02 0.42 -0.81 0.00 0.00 175.30 175.07 3ial s ILE 390 N 0.53 3.61 -0.18 4.11 1.01 0.09 -0.24 121.20 130.12 3ial s ILE 390 Ca -0.05 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 3ial s ILE 390 Cb -0.15 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 3ial s ILE 390 CO 0.03 0.42 0.02 -1.61 0.00 0.00 0.00 174.94 173.80 3ial s GLU 391 N 1.34 3.80 -0.11 2.79 2.02 0.70 -0.30 118.70 128.93 3ial s GLU 391 Ca 0.04 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.60 3ial s GLU 391 Cb -0.14 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 30.99 3ial s GLU 391 CO -0.01 0.18 -0.10 0.08 0.02 0.00 0.00 175.26 175.43 3ial s VAL 392 N 0.59 1.16 0.27 2.63 1.01 -0.77 -1.86 120.40 123.43 3ial s VAL 392 Ca 0.01 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3ial s VAL 392 Cb -0.14 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3ial s VAL 392 CO 0.02 0.38 0.13 -0.83 0.00 0.00 0.00 175.10 174.80 3ial s GLY 393 N 1.44 1.84 0.13 4.51 0.00 -1.26 -0.34 107.32 113.64 3ial s GLY 393 Ca 0.01 -1.79 -0.23 0.00 0.00 0.00 0.00 44.72 42.70 3ial s GLY 393 CO -0.06 -1.56 1.65 -1.61 0.00 0.00 0.00 173.10 171.52 3ial h GLN 394 N 2.34 -0.25 -0.18 2.90 4.15 -1.90 0.12 115.11 122.30 3ial h GLN 394 Ca -0.36 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.13 3ial h GLN 394 Cb 1.25 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.94 3ial h GLN 394 CO 0.55 -0.17 -0.19 -0.09 -1.93 0.00 0.00 178.83 177.01 3ial h ARG 395 N -0.26 -0.20 -0.20 1.69 2.43 -1.97 -0.93 114.38 114.93 3ial h ARG 395 Ca 0.09 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 3ial h ARG 395 Cb 0.39 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3ial h ARG 395 CO -0.26 -0.14 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.22 3ial h ASP 396 N -0.21 0.50 0.15 -3.80 3.45 -1.79 -2.81 116.42 111.90 3ial h ASP 396 Ca 0.12 -0.22 -0.03 0.00 0.43 0.00 0.00 57.03 57.32 3ial h ASP 396 Cb 0.38 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3ial h ASP 396 CO -0.31 0.86 -0.15 0.25 -1.57 0.00 0.00 179.24 178.32 3ial h LEU 397 N 0.39 0.00 -0.72 1.55 5.85 -0.25 -0.29 115.31 121.84 3ial h LEU 397 Ca 0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3ial h LEU 397 Cb 0.89 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3ial h LEU 397 CO 0.07 0.15 -0.49 0.00 -0.34 0.00 0.00 178.44 177.83 3ial h ALA 398 N 1.85 0.91 -0.23 1.25 0.00 -0.91 -2.82 119.26 119.31 3ial h ALA 398 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ial h ALA 398 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ial h ALA 398 CO 0.02 0.62 0.00 0.09 0.00 0.00 0.00 179.25 179.98 3ial n ASN 399 N -3.55 2.31 -1.12 0.00 5.03 -1.01 -4.95 115.26 111.97 3ial n ASN 399 Ca -0.00 -1.81 -0.11 0.00 0.87 0.00 0.00 54.58 53.53 3ial n ASN 399 Cb 0.59 -0.14 -0.01 0.00 -1.02 0.00 0.00 39.78 39.19 3ial n ASN 399 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ial n GLY 400 N 1.27 0.21 3.34 7.41 0.00 -0.98 -5.00 105.19 111.44 3ial n GLY 400 Ca 0.17 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 3ial n GLY 400 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ial s GLN 401 N -4.16 1.34 0.08 1.61 -0.21 -0.15 -0.96 119.66 117.21 3ial s GLN 401 Ca 0.00 -1.66 -0.03 0.00 0.02 0.00 0.00 55.36 53.69 3ial s GLN 401 Cb 0.00 -0.80 -0.03 0.00 1.00 0.00 0.00 33.01 33.18 3ial s GLN 401 CO 0.00 -0.01 0.05 0.00 -2.12 0.00 0.00 175.29 173.21 3ial s ILE 403 N -3.94 4.78 -0.23 0.00 1.09 -0.78 -1.54 121.20 120.58 3ial s ILE 403 Ca 0.11 -0.02 -0.04 0.00 -1.10 0.00 0.00 60.65 59.61 3ial s ILE 403 Cb 0.07 -3.22 -0.00 0.00 -1.06 0.00 0.00 42.46 38.25 3ial s ILE 403 CO -0.07 0.36 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.41 3ial s VAL 404 N 1.17 3.35 -0.30 2.92 1.01 0.64 -0.22 120.40 128.99 3ial s VAL 404 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3ial s VAL 404 Cb -0.14 -2.56 0.07 0.00 0.00 0.00 0.00 36.38 33.74 3ial s VAL 404 CO 0.04 0.37 -0.02 -0.69 0.00 0.00 0.00 175.10 174.80 3ial s VAL 405 N 1.46 2.56 0.48 2.92 1.01 0.66 -0.15 120.40 129.35 3ial s VAL 405 Ca 0.05 -1.69 -0.23 0.00 0.00 0.00 0.00 61.98 60.11 3ial s VAL 405 Cb -0.15 -2.58 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 3ial s VAL 405 CO -0.03 -0.20 1.23 -2.84 0.00 0.00 0.00 175.10 173.26 3ial s PRO 406 N 1.13 3.62 0.26 2.72 0.02 -1.26 -1.34 135.00 140.15 3ial s PRO 406 Ca -0.03 1.92 0.04 0.00 0.02 0.00 0.00 61.00 62.95 3ial s PRO 406 Cb -0.20 -2.40 0.32 0.00 0.02 0.00 0.00 34.50 32.24 3ial s PRO 406 CO -0.04 -0.71 1.63 -0.09 -0.33 0.00 0.00 177.00 177.46 3ial h ARG 407 N 1.96 0.33 -0.13 5.54 9.65 -0.34 -1.08 114.38 130.31 3ial h ARG 407 Ca -0.50 -0.18 -0.19 0.00 -1.10 0.00 0.00 59.98 58.01 3ial h ARG 407 Cb 1.26 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.86 3ial h ARG 407 CO 0.60 0.73 -0.67 0.38 2.80 0.00 0.00 179.97 183.81 3ial h ASP 408 N 0.27 0.81 0.33 -3.80 2.03 -1.93 -3.34 116.42 110.79 3ial h ASP 408 Ca 0.02 -0.64 -0.19 0.00 -0.73 0.00 0.00 57.03 55.49 3ial h ASP 408 Cb 0.93 -0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 39.16 3ial h ASP 408 CO 0.08 1.32 -1.84 1.33 -1.03 0.00 0.00 179.24 179.10 3ial n VAL 409 N -4.06 0.96 -4.07 4.15 0.24 -1.24 -5.08 118.33 109.23 3ial n VAL 409 Ca -0.08 -0.70 0.01 0.00 -2.04 0.00 0.00 64.34 61.53 3ial n VAL 409 Cb 0.69 -0.48 -0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3ial n VAL 409 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ial n GLY 410 N 1.47 -1.73 0.22 7.63 0.00 -0.41 -4.26 105.19 108.10 3ial n GLY 410 Ca -0.15 -1.29 0.15 0.00 0.00 0.00 0.00 46.02 44.73 3ial n GLY 410 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ial h LYS 411 N 0.00 0.00 0.00 1.61 2.10 -1.95 -1.37 116.57 116.96 3ial h LYS 411 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 3ial h LYS 411 Cb 0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 3ial h LYS 411 CO 0.00 0.00 -0.29 -0.44 -2.00 0.00 0.00 179.45 176.72 3ial h ASP 412 N 0.00 0.00 -0.74 7.07 3.32 -1.99 -3.18 116.42 120.90 3ial h ASP 412 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3ial h ASP 412 Cb 0.27 0.00 -0.43 0.00 0.22 0.00 0.00 39.33 39.40 3ial h ASP 412 CO 0.00 0.29 -0.82 0.00 -1.72 0.00 0.00 179.24 176.98 3ial n GLN 413 N -3.71 3.57 -1.99 3.56 6.02 -0.52 -5.07 117.38 119.25 3ial n GLN 413 Ca -0.01 -4.15 -0.37 0.00 -0.01 0.00 0.00 57.00 52.46 3ial n GLN 413 Cb 0.39 -2.26 0.03 0.00 1.02 0.00 0.00 30.24 29.42 3ial n GLN 413 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3ial s LYS 414 N -3.60 3.11 -0.13 -1.09 -2.85 -1.21 -4.80 119.74 109.18 3ial s LYS 414 Ca 0.51 1.92 -0.07 0.00 -1.00 0.00 0.00 55.97 57.33 3ial s LYS 414 Cb 0.41 -2.07 -0.04 0.00 -2.06 0.00 0.00 37.83 34.07 3ial s LYS 414 CO 0.04 -1.12 0.11 1.03 0.10 0.00 0.00 175.35 175.51 3ial s ARG 415 N -3.14 3.53 -0.43 1.78 3.00 0.79 -4.95 118.95 119.52 3ial s ARG 415 Ca 0.74 -0.21 -0.08 0.00 0.00 0.00 0.00 55.73 56.18 3ial s ARG 415 Cb -0.33 -3.16 0.09 0.00 0.00 0.00 0.00 34.95 31.56 3ial s ARG 415 CO 0.37 0.64 0.27 0.08 0.00 0.00 0.00 175.30 176.67 3ial s VAL 416 N -0.66 4.09 -0.11 3.52 1.01 -1.26 -0.26 120.40 126.73 3ial s VAL 416 Ca 0.12 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.52 3ial s VAL 416 Cb -0.12 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3ial s VAL 416 CO 0.02 -0.60 -0.15 -0.63 0.00 0.00 0.00 175.10 173.74 3ial s ILE 417 N 1.37 2.92 0.35 2.22 1.01 -0.59 -4.94 121.20 123.54 3ial s ILE 417 Ca 0.04 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 3ial s ILE 417 Cb -0.24 -2.20 -0.12 0.00 0.01 0.00 0.00 42.46 39.91 3ial s ILE 417 CO 0.00 0.54 1.29 -2.65 0.00 0.00 0.00 174.94 174.12 3ial n PRO 418 N 3.27 2.11 -0.01 2.79 -0.02 -1.26 -1.26 135.00 140.62 3ial n PRO 418 Ca -0.18 0.74 -0.04 0.00 -2.02 0.00 0.00 63.50 62.00 3ial n PRO 418 Cb 0.53 -2.33 0.19 0.00 -0.02 0.00 0.00 33.50 31.86 3ial n PRO 418 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ial h ILE 419 N 2.51 1.26 -0.85 4.25 2.04 -1.35 -2.19 117.51 123.18 3ial h ILE 419 Ca -0.46 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.16 3ial h ILE 419 Cb 1.28 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 3ial h ILE 419 CO 0.62 0.39 0.45 0.71 0.00 0.00 0.00 178.15 180.33 3ial h THR 420 N 0.50 1.25 -0.61 -0.27 1.35 -1.91 -0.51 112.91 112.71 3ial h THR 420 Ca 0.08 -0.65 -0.05 0.00 -0.55 0.00 0.00 66.41 65.24 3ial h THR 420 Cb 0.63 0.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.14 3ial h THR 420 CO 0.04 0.29 0.20 -0.33 -0.25 0.00 0.00 175.52 175.47 3ial h GLU 421 N 1.20 0.94 -0.68 4.72 5.08 -1.86 0.03 114.58 124.01 3ial h GLU 421 Ca 0.30 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3ial h GLU 421 Cb 0.05 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3ial h GLU 421 CO -0.05 0.83 0.44 0.28 -1.00 0.00 0.00 179.01 179.51 3ial h VAL 422 N 0.87 1.18 0.00 3.13 2.07 -0.80 -2.24 116.25 120.46 3ial h VAL 422 Ca 0.20 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3ial h VAL 422 Cb 0.28 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3ial h VAL 422 CO -0.01 0.18 -0.12 0.24 0.02 0.00 0.00 177.57 177.89 3ial h MET 423 N 0.93 0.00 -6.18 1.57 2.86 -0.83 -3.46 114.93 109.82 3ial h MET 423 Ca 0.25 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.32 3ial h MET 423 Cb -0.08 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3ial h MET 423 CO -0.05 0.00 0.95 0.21 1.06 0.00 0.00 176.91 179.07 3ial s LYS 424 N -3.17 4.21 -0.10 1.72 2.20 -0.03 -5.01 119.74 119.56 3ial s LYS 424 Ca 0.08 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 3ial s LYS 424 Cb 0.09 -3.82 0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3ial s LYS 424 CO 0.65 -0.75 -0.09 0.08 -0.36 0.00 0.00 175.35 174.88 3ial s VAL 425 N 3.65 1.03 0.29 4.02 1.01 -1.26 -4.56 120.40 124.58 3ial s VAL 425 Ca 0.59 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3ial s VAL 425 Cb -0.24 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 3ial s VAL 425 CO 0.18 0.36 0.13 -1.54 0.00 0.00 0.00 175.10 174.22 3ial n SER 426 N 4.56 0.79 0.00 3.32 3.41 -0.95 -4.98 113.62 119.78 3ial n SER 426 Ca -0.16 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 3ial n SER 426 Cb 0.51 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 3ial n SER 426 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3ial n VAL 436 N -0.63 0.00 -3.82 -3.33 3.14 -1.26 -4.39 118.33 108.04 3ial n VAL 436 Ca -0.02 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.01 3ial n VAL 436 Cb 0.45 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.15 3ial n VAL 436 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3ial s VAL 437 N 0.00 5.29 -0.10 1.55 1.01 -1.26 -5.09 120.40 121.80 3ial s VAL 437 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3ial s VAL 437 Cb 0.00 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 3ial s VAL 437 CO 0.00 0.48 -0.22 -0.54 0.00 0.00 0.00 175.10 174.82 3ial s LYS 438 N 0.07 3.09 -0.27 2.72 1.02 -1.26 -5.04 119.74 120.07 3ial s LYS 438 Ca 0.09 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 54.99 3ial s LYS 438 Cb -0.11 -2.35 0.08 0.00 -0.52 0.00 0.00 37.83 34.92 3ial s LYS 438 CO -0.00 0.19 0.75 1.21 -0.92 0.00 0.00 175.35 176.58 3ial s ASN 439 N 0.32 -0.74 0.36 2.83 3.84 -1.26 -2.24 114.94 118.06 3ial s ASN 439 Ca -0.17 1.40 0.08 0.00 0.21 0.00 0.00 52.86 54.38 3ial s ASN 439 Cb -0.18 1.40 0.80 0.00 -0.55 0.00 0.00 41.25 42.73 3ial s ASN 439 CO 0.08 -0.24 1.91 1.62 -2.79 0.00 0.00 177.10 177.68 3ial h VAL 440 N 4.10 0.91 -0.29 -5.21 3.04 -1.81 0.49 116.25 117.48 3ial h VAL 440 Ca -0.29 -0.24 -0.17 0.00 -1.01 0.00 0.00 66.70 64.99 3ial h VAL 440 Cb 1.17 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 3ial h VAL 440 CO 0.07 0.13 -0.50 0.40 -1.01 0.00 0.00 177.57 176.66 3ial h ILE 441 N 0.70 1.28 -0.91 3.17 1.08 -1.89 -1.02 117.51 119.92 3ial h ILE 441 Ca 0.39 -1.69 0.01 0.00 -0.39 0.00 0.00 64.86 63.18 3ial h ILE 441 Cb 0.54 1.64 -0.05 0.00 -3.07 0.00 0.00 36.82 35.89 3ial h ILE 441 CO -0.16 0.55 0.60 0.50 -0.69 0.00 0.00 178.15 178.95 3ial h LYS 442 N 0.62 1.18 -0.76 2.37 3.64 -1.65 -1.14 116.57 120.84 3ial h LYS 442 Ca 0.02 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3ial h LYS 442 Cb 1.11 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 3ial h LYS 442 CO 0.11 0.78 0.31 -0.44 -2.27 0.00 0.00 179.45 177.95 3ial h ASP 443 N 1.21 1.03 -0.56 4.20 3.32 -0.68 -1.27 116.42 123.68 3ial h ASP 443 Ca 0.34 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3ial h ASP 443 Cb -0.12 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 3ial h ASP 443 CO -0.08 0.90 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.92 3ial h GLU 444 N 1.10 1.05 -0.85 3.56 4.39 -0.52 -0.02 114.58 123.29 3ial h GLU 444 Ca 0.26 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3ial h GLU 444 Cb 0.19 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3ial h GLU 444 CO -0.02 1.08 0.44 -0.07 -1.16 0.00 0.00 179.01 179.27 3ial h LEU 445 N 0.93 1.08 -0.43 1.33 3.38 -1.09 0.06 115.31 120.57 3ial h LEU 445 Ca 0.15 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3ial h LEU 445 Cb 0.67 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ial h LEU 445 CO 0.05 0.88 -0.16 0.44 0.09 0.00 0.00 178.44 179.74 3ial h ASP 446 N 1.19 0.88 -0.53 -0.43 3.32 -1.01 -1.22 116.42 118.62 3ial h ASP 446 Ca 0.30 -0.39 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 3ial h ASP 446 Cb 0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3ial h ASP 446 CO -0.04 1.07 -0.10 0.00 -1.72 0.00 0.00 179.24 178.45 3ial h ALA 447 N 0.84 0.79 -0.35 3.45 0.00 -0.90 -1.18 119.26 121.90 3ial h ALA 447 Ca 0.10 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3ial h ALA 447 Cb 0.72 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3ial h ALA 447 CO 0.05 0.67 0.14 -0.92 0.00 0.00 0.00 179.25 179.19 3ial h TYR 448 N 0.91 0.25 -0.10 0.00 3.20 -0.94 -0.73 116.97 119.56 3ial h TYR 448 Ca 0.14 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3ial h TYR 448 Cb 0.66 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3ial h TYR 448 CO 0.04 0.11 0.04 -0.22 -1.64 0.00 0.00 178.16 176.50 3ial h LYS 449 N 0.29 0.09 -0.79 1.82 3.64 -0.91 -1.45 116.57 119.27 3ial h LYS 449 Ca 0.16 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3ial h LYS 449 Cb 0.12 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3ial h LYS 449 CO -0.15 0.06 0.52 0.00 -2.27 0.00 0.00 179.45 177.61 3ial h ALA 450 N 1.06 1.44 -0.57 5.00 0.00 -1.06 -1.90 119.26 123.22 3ial h ALA 450 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ial h ALA 450 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ial h ALA 450 CO -0.04 0.52 -0.00 0.00 0.00 0.00 0.00 179.25 179.73 3ial h ARG 451 N 1.07 0.99 -0.42 0.00 3.08 -0.68 -1.74 114.38 116.68 3ial h ARG 451 Ca 0.29 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3ial h ARG 451 Cb -0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3ial h ARG 451 CO -0.06 0.98 0.21 -0.07 -1.07 0.00 0.00 179.97 179.95 3ial h LEU 452 N 0.91 0.55 -0.17 3.04 3.38 -0.80 -2.63 115.31 119.59 3ial h LEU 452 Ca 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ial h LEU 452 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ial h LEU 452 CO 0.03 0.52 0.09 0.50 0.09 0.00 0.00 178.44 179.67 3ial h LYS 453 N 0.54 0.23 -0.65 1.13 3.64 -1.22 -1.26 116.57 118.99 3ial h LYS 453 Ca 0.15 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3ial h LYS 453 Cb 0.11 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 3ial h LYS 453 CO -0.02 0.22 0.38 1.49 -2.27 0.00 0.00 179.45 179.26 3ial h GLU 454 N 0.17 0.71 -0.18 1.90 4.81 -1.25 0.32 114.58 121.07 3ial h GLU 454 Ca 0.06 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3ial h GLU 454 Cb 0.06 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3ial h GLU 454 CO -0.01 0.47 -0.38 -0.22 -0.73 0.00 0.00 179.01 178.14 3ial h LYS 455 N 0.74 0.58 -0.36 1.92 3.64 -1.37 -1.02 116.57 120.69 3ial h LYS 455 Ca 0.27 -0.38 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 3ial h LYS 455 Cb 0.09 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3ial h LYS 455 CO -0.14 0.99 -0.22 0.00 -2.27 0.00 0.00 179.45 177.82 3ial h ALA 456 N 0.58 0.93 -0.30 5.00 0.00 -1.05 -0.60 119.26 123.82 3ial h ALA 456 Ca 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3ial h ALA 456 Cb 0.98 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ial h ALA 456 CO 0.08 0.61 0.01 0.74 0.00 0.00 0.00 179.25 180.69 3ial h PHE 457 N 0.62 0.58 -0.77 0.00 -1.00 -0.91 -1.55 116.94 113.91 3ial h PHE 457 Ca 0.09 -0.10 0.02 0.00 2.81 0.00 0.00 57.97 60.79 3ial h PHE 457 Cb 0.71 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 3ial h PHE 457 CO 0.03 0.66 0.50 0.00 -1.61 0.00 0.00 178.31 177.90 3ial h ALA 458 N 0.84 0.99 0.02 2.45 0.00 -1.03 -0.34 119.26 122.20 3ial h ALA 458 Ca 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ial h ALA 458 Cb 0.43 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ial h ALA 458 CO 0.01 0.35 -0.10 0.35 0.00 0.00 0.00 179.25 179.87 3ial h PHE 459 N 1.00 -0.25 -0.14 0.00 3.57 -0.98 -0.72 116.94 119.42 3ial h PHE 459 Ca 0.29 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.85 3ial h PHE 459 Cb -0.06 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3ial h PHE 459 CO -0.02 -0.15 -0.21 1.25 -2.23 0.00 0.00 178.31 176.95 3ial h HIS 460 N -0.18 -0.55 -0.63 0.41 2.76 -0.91 -2.48 115.15 113.58 3ial h HIS 460 Ca 0.03 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3ial h HIS 460 Cb 0.21 0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 3ial h HIS 460 CO -0.15 -0.29 0.41 -0.91 -1.30 0.00 0.00 177.93 175.70 3ial h ASN 461 N -0.26 0.66 0.96 3.26 2.35 -0.86 -0.44 115.58 121.25 3ial h ASN 461 Ca 0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ial h ASN 461 Cb 0.41 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3ial h ASN 461 CO -0.29 0.46 0.00 -1.54 -1.65 0.00 0.00 177.43 174.41 3ial n SER 462 N -4.46 0.59 -1.13 5.81 3.41 -0.29 -3.02 113.62 114.53 3ial n SER 462 Ca 0.07 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 3ial n SER 462 Cb 0.11 -0.75 0.29 0.00 -0.26 0.00 0.00 64.21 63.60 3ial n SER 462 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ial n MET 463 N -2.11 3.40 -3.93 4.33 2.81 -0.18 -4.81 117.12 116.62 3ial n MET 463 Ca 0.04 -2.85 -0.35 0.00 -1.81 0.00 0.00 57.70 52.72 3ial n MET 463 Cb 0.29 -1.89 -0.14 0.00 -0.71 0.00 0.00 33.22 30.77 3ial n MET 463 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3ial s VAL 464 N -2.61 3.06 -0.12 2.03 1.01 -1.16 -0.13 120.40 122.48 3ial s VAL 464 Ca 0.44 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3ial s VAL 464 Cb 0.34 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3ial s VAL 464 CO 0.12 0.26 -0.21 -0.89 0.00 0.00 0.00 175.10 174.38 3ial s THR 465 N 1.38 1.93 0.04 3.92 2.01 0.48 -4.98 115.64 120.42 3ial s THR 465 Ca 0.02 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 60.82 3ial s THR 465 Cb -0.16 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 3ial s THR 465 CO -0.04 0.53 0.90 0.20 -0.69 0.00 0.00 174.62 175.52 3ial s ASN 466 N 0.74 7.34 0.01 3.53 0.01 -1.26 -0.16 114.94 125.15 3ial s ASN 466 Ca -0.10 1.61 0.05 0.00 -0.71 0.00 0.00 52.86 53.71 3ial s ASN 466 Cb -0.16 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 3ial s ASN 466 CO 0.01 -0.13 -0.16 0.00 -1.51 0.00 0.00 177.10 175.30 3ial n LYS 468 N 2.37 2.30 -3.56 0.00 2.85 -1.26 -4.43 118.16 116.43 3ial n LYS 468 Ca -0.16 -1.78 -0.11 0.00 -1.05 0.00 0.00 58.31 55.22 3ial n LYS 468 Cb 0.54 -1.23 -0.03 0.00 -0.65 0.00 0.00 35.03 33.67 3ial n LYS 468 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3ial s SER 469 N -0.96 -0.40 0.21 -5.58 1.04 -1.26 -4.61 113.70 102.14 3ial s SER 469 Ca 0.18 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.32 3ial s SER 469 Cb 0.10 0.57 0.30 0.00 0.10 0.00 0.00 66.02 67.08 3ial s SER 469 CO 0.14 -0.97 1.75 0.15 0.98 0.00 0.00 173.24 175.29 3ial h PHE 470 N 2.14 0.46 -0.45 5.02 3.57 -1.95 -2.33 116.94 123.40 3ial h PHE 470 Ca -0.32 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 3ial h PHE 470 Cb 1.28 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3ial h PHE 470 CO 0.29 0.13 0.25 -0.44 -2.23 0.00 0.00 178.31 176.31 3ial h ASP 471 N 0.46 0.55 -0.51 0.41 3.32 -1.96 -1.67 116.42 117.02 3ial h ASP 471 Ca 0.32 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3ial h ASP 471 Cb 0.38 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3ial h ASP 471 CO -0.30 0.47 0.28 -0.33 -1.72 0.00 0.00 179.24 177.64 3ial h GLU 472 N 0.59 0.73 0.14 3.56 5.08 -1.91 0.48 114.58 123.23 3ial h GLU 472 Ca 0.16 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3ial h GLU 472 Cb 0.03 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3ial h GLU 472 CO -0.03 0.54 -0.06 0.82 -1.00 0.00 0.00 179.01 179.28 3ial h ILE 473 N 0.74 0.99 -0.47 3.13 2.04 -1.03 -0.05 117.51 122.86 3ial h ILE 473 Ca 0.19 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.53 3ial h ILE 473 Cb 0.03 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3ial h ILE 473 CO -0.03 0.13 0.23 0.58 0.00 0.00 0.00 178.15 179.06 3ial h VAL 474 N -0.45 0.96 -0.67 1.67 2.07 -1.14 0.19 116.25 118.88 3ial h VAL 474 Ca -0.02 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3ial h VAL 474 Cb 0.36 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3ial h VAL 474 CO 0.03 0.08 0.10 0.00 0.02 0.00 0.00 177.57 177.80 3ial h ALA 475 N 1.26 0.91 0.01 1.67 0.00 -0.85 0.93 119.26 123.19 3ial h ALA 475 Ca 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ial h ALA 475 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ial h ALA 475 CO -0.15 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 3ial h ILE 477 N -0.10 1.19 0.00 0.00 1.08 -0.63 0.71 117.51 119.76 3ial h ILE 477 Ca -0.00 -0.49 -0.09 0.00 -0.39 0.00 0.00 64.86 63.89 3ial h ILE 477 Cb 0.09 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3ial h ILE 477 CO 0.00 0.21 -0.44 -0.33 -0.69 0.00 0.00 178.15 176.90 3ial h GLU 478 N 0.80 0.00 0.00 2.37 5.08 -0.82 -3.23 114.58 118.78 3ial h GLU 478 Ca 0.21 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 3ial h GLU 478 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3ial h GLU 478 CO -0.03 0.44 -1.51 0.09 -1.00 0.00 0.00 179.01 177.00 3ial n ASN 479 N -3.43 2.41 -0.09 1.42 3.02 -0.79 -4.85 115.26 112.95 3ial n ASN 479 Ca 0.00 0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.35 3ial n ASN 479 Cb 0.59 -0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.46 3ial n ASN 479 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3ial n LYS 480 N -2.98 0.67 0.00 3.52 4.81 -0.18 -5.08 118.16 118.91 3ial n LYS 480 Ca -0.17 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3ial n LYS 480 Cb 0.65 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 34.11 3ial n LYS 480 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ial n GLY 481 N 1.97 -1.83 7.00 3.14 0.00 0.07 -4.90 105.19 110.65 3ial n GLY 481 Ca -0.42 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3ial n GLY 481 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ial n GLY 482 N 0.00 0.21 3.49 -0.02 0.00 0.71 -4.74 105.19 104.83 3ial n GLY 482 Ca 0.00 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 3ial n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ial s LEU 483 N 0.00 3.27 -0.29 0.99 1.43 0.82 -4.44 118.68 120.46 3ial s LEU 483 Ca 0.00 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 3ial s LEU 483 Cb 0.00 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3ial s LEU 483 CO 0.00 0.14 0.16 0.00 0.23 0.00 0.00 176.35 176.88 3ial s ALA 484 N 0.55 3.36 -0.18 4.21 0.00 0.14 -0.38 121.76 129.46 3ial s ALA 484 Ca -0.02 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 3ial s ALA 484 Cb -0.14 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3ial s ALA 484 CO 0.02 -0.72 0.06 0.50 0.00 0.00 0.00 175.76 175.62 3ial s ARG 485 N 1.67 3.96 -0.09 0.00 3.52 0.78 -0.41 118.95 128.39 3ial s ARG 485 Ca 0.06 -0.35 -0.08 0.00 -0.13 0.00 0.00 55.73 55.23 3ial s ARG 485 Cb -0.16 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.05 3ial s ARG 485 CO 0.08 0.27 0.23 -0.59 -0.81 0.00 0.00 175.30 174.48 3ial s PHE 486 N 0.37 -0.25 0.46 5.12 -0.12 0.20 -0.94 117.98 122.82 3ial s PHE 486 Ca 0.03 0.62 -0.25 0.00 -0.05 0.00 0.00 56.93 57.28 3ial s PHE 486 Cb -0.12 0.09 -0.08 0.00 -0.63 0.00 0.00 43.02 42.28 3ial s PHE 486 CO 0.00 -0.12 1.39 -1.25 -0.05 0.00 0.00 175.22 175.19 3ial s PRO 487 N 0.12 3.62 -0.04 1.99 0.04 -1.26 -0.20 135.00 139.26 3ial s PRO 487 Ca -0.00 2.32 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 3ial s PRO 487 Cb -0.02 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.96 3ial s PRO 487 CO 0.00 -0.84 0.27 0.12 0.04 0.00 0.00 177.00 176.59 3ial s PHE 488 N -1.24 -0.18 -0.84 0.56 5.36 -0.34 -0.73 117.98 120.57 3ial s PHE 488 Ca 0.63 0.34 0.27 0.00 -0.96 0.00 0.00 56.93 57.21 3ial s PHE 488 Cb -0.42 0.07 0.90 0.00 -0.34 0.00 0.00 43.02 43.24 3ial s PHE 488 CO 0.53 -0.29 1.77 2.48 -1.46 0.00 0.00 175.22 178.24 3ial n TYR 489 N 1.85 0.51 -3.70 10.12 0.18 -1.26 -1.78 117.16 123.07 3ial n TYR 489 Ca -0.19 0.15 -0.14 0.00 1.88 0.00 0.00 57.90 59.59 3ial n TYR 489 Cb 0.57 -0.72 -0.08 0.00 -0.38 0.00 0.00 39.34 38.73 3ial n TYR 489 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 3ial s THR 490 N -3.06 0.04 -2.40 -3.48 -1.32 -1.26 -4.39 115.64 99.76 3ial s THR 490 Ca 0.11 -0.32 0.22 0.00 -1.21 0.00 0.00 61.69 60.49 3ial s THR 490 Cb 0.15 -0.70 0.36 0.00 -1.51 0.00 0.00 72.50 70.81 3ial s THR 490 CO 0.59 -0.18 1.34 0.35 -2.21 0.00 0.00 174.62 174.51 3ial n THR 491 N 1.34 0.43 -3.27 5.08 -2.24 -1.26 -4.84 114.28 109.52 3ial n THR 491 Ca -0.20 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 60.73 3ial n THR 491 Cb 0.56 1.06 0.03 0.00 -2.10 0.00 0.00 70.33 69.88 3ial n THR 491 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ial n GLU 492 N 1.38 0.84 0.25 -0.78 1.02 -1.26 -4.55 120.64 117.54 3ial n GLU 492 Ca 0.17 -1.98 0.09 0.00 -0.02 0.00 0.00 57.16 55.42 3ial n GLU 492 Cb 0.58 -0.02 0.63 0.00 -0.02 0.00 0.00 31.44 32.61 3ial n GLU 492 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ial h ALA 493 N 0.41 1.55 0.00 0.62 0.00 -1.98 -2.32 119.26 117.55 3ial h ALA 493 Ca -0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ial h ALA 493 Cb 0.77 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ial h ALA 493 CO 0.27 0.16 -0.04 -0.44 0.00 0.00 0.00 179.25 179.21 3ial h ASP 494 N 0.00 0.00 -0.01 0.00 3.32 -1.98 -2.53 116.42 115.22 3ial h ASP 494 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ial h ASP 494 Cb 0.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ial h ASP 494 CO 0.02 0.04 0.05 1.23 -1.72 0.00 0.00 179.24 178.86 3ial h GLY 495 N 0.49 0.00 2.00 2.75 0.00 -1.74 -2.76 103.07 103.81 3ial h GLY 495 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ial h GLY 495 CO 0.01 0.00 -0.02 -2.09 0.00 0.00 0.00 176.54 174.44 3ial h GLU 496 N 0.00 0.00 -0.89 4.80 4.81 -1.67 -1.77 114.58 119.86 3ial h GLU 496 Ca 0.01 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3ial h GLU 496 Cb 0.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3ial h GLU 496 CO -0.00 0.02 0.58 0.28 -0.73 0.00 0.00 179.01 179.16 3ial h VAL 497 N 0.00 1.23 -0.01 0.32 2.07 -1.74 -1.24 116.25 116.89 3ial h VAL 497 Ca -0.00 -0.43 -0.18 0.00 0.82 0.00 0.00 66.70 66.91 3ial h VAL 497 Cb 0.19 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3ial h VAL 497 CO 0.00 0.22 -0.80 -0.50 0.02 0.00 0.00 177.57 176.52 3ial h TRP 498 N 1.20 0.22 -0.29 1.57 4.06 -1.55 -2.53 115.95 118.64 3ial h TRP 498 Ca 0.32 -0.11 0.04 0.00 2.06 0.00 0.00 58.89 61.21 3ial h TRP 498 Cb -0.13 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 27.96 3ial h TRP 498 CO -0.01 0.88 0.04 0.22 -3.56 0.00 0.00 178.44 176.01 3ial h ASP 499 N 0.09 -0.03 -0.54 -3.49 3.58 -1.25 -0.60 116.42 114.19 3ial h ASP 499 Ca -0.03 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3ial h ASP 499 Cb 1.39 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.49 3ial h ASP 499 CO 0.12 0.02 0.32 0.11 -2.88 0.00 0.00 179.24 176.93 3ial h LYS 500 N 0.14 0.74 -0.78 0.28 1.57 -1.16 -0.67 116.57 116.68 3ial h LYS 500 Ca 0.14 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3ial h LYS 500 Cb 0.16 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3ial h LYS 500 CO -0.19 0.54 0.41 0.87 -0.57 0.00 0.00 179.45 180.51 3ial h LYS 501 N 0.73 1.10 -0.47 3.15 1.57 -1.23 -1.61 116.57 119.80 3ial h LYS 501 Ca 0.19 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3ial h LYS 501 Cb -0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3ial h LYS 501 CO -0.04 0.82 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.41 3ial h LEU 502 N 1.09 0.94 -0.61 2.94 3.38 -0.80 -2.06 115.31 120.19 3ial h LEU 502 Ca 0.27 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3ial h LEU 502 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3ial h LEU 502 CO -0.04 1.10 0.04 0.50 0.09 0.00 0.00 178.44 180.13 3ial h LYS 503 N 0.81 1.04 -0.59 1.13 3.64 -0.64 -2.06 116.57 119.90 3ial h LYS 503 Ca 0.11 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 3ial h LYS 503 Cb 0.73 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 3ial h LYS 503 CO 0.06 1.00 0.15 -0.44 -2.27 0.00 0.00 179.45 177.94 3ial h ASP 504 N 0.94 0.84 -0.08 4.20 3.32 -1.20 0.60 116.42 125.04 3ial h ASP 504 Ca 0.18 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3ial h ASP 504 Cb 0.50 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3ial h ASP 504 CO 0.02 0.82 -0.28 0.00 -1.72 0.00 0.00 179.24 178.09 3ial h ALA 505 N 1.29 0.15 0.00 3.45 0.00 -1.22 -3.42 119.26 119.51 3ial h ALA 505 Ca 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ial h ALA 505 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ial h ALA 505 CO -0.00 0.16 -0.20 0.00 0.00 0.00 0.00 179.25 179.21 3ial n SER 507 N 0.00 -5.53 -4.84 0.00 7.64 0.20 -4.91 113.62 106.17 3ial n SER 507 Ca 0.00 0.27 -0.31 0.00 1.01 0.00 0.00 58.87 59.84 3ial n SER 507 Cb 0.58 -4.76 -0.05 0.00 -1.01 0.00 0.00 64.21 58.96 3ial n SER 507 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ial s ALA 508 N -2.85 3.78 0.16 -0.43 0.00 -1.24 -4.64 121.76 116.54 3ial s ALA 508 Ca 0.00 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.14 3ial s ALA 508 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 3ial s ALA 508 CO 0.00 0.78 -0.23 -1.83 0.00 0.00 0.00 175.76 174.48 3ial s GLU 509 N -2.38 1.39 -0.13 0.00 -1.05 -0.69 -2.20 118.70 113.64 3ial s GLU 509 Ca 0.31 -1.41 -0.29 0.00 -0.15 0.00 0.00 54.97 53.43 3ial s GLU 509 Cb -0.13 -1.70 -0.03 0.00 -0.44 0.00 0.00 34.13 31.84 3ial s GLU 509 CO 0.24 0.38 1.37 0.42 0.95 0.00 0.00 175.26 178.61 3ial s ILE 510 N -1.53 4.08 -0.07 1.83 1.01 -1.26 -1.58 121.20 123.67 3ial s ILE 510 Ca 0.16 1.31 -0.15 0.00 0.00 0.00 0.00 60.65 61.98 3ial s ILE 510 Cb -0.08 -3.85 -0.29 0.00 0.01 0.00 0.00 42.46 38.25 3ial s ILE 510 CO 0.08 -0.11 0.65 0.03 0.00 0.00 0.00 174.94 175.59 3ial h ARG 511 N 8.53 0.32 0.00 2.79 2.47 -0.17 -3.44 114.38 124.87 3ial h ARG 511 Ca -0.30 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 57.88 3ial h ARG 511 Cb 1.13 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 3ial h ARG 511 CO 0.96 1.26 0.00 0.41 0.56 0.00 0.00 179.97 183.16 3ial n GLY 512 N 1.77 -0.25 3.06 0.04 0.00 -1.16 -2.20 105.19 106.45 3ial n GLY 512 Ca -0.23 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 3ial n GLY 512 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ial s HIS 513 N -2.86 0.59 -0.44 1.61 -3.43 -1.02 0.09 115.29 109.83 3ial s HIS 513 Ca 0.00 -0.62 -0.19 0.00 -0.80 0.00 0.00 55.06 53.45 3ial s HIS 513 Cb 0.00 -0.37 0.03 0.00 -1.43 0.00 0.00 32.58 30.81 3ial s HIS 513 CO 0.00 -0.14 0.55 1.21 -2.00 0.00 0.00 174.74 174.36 3ial s ASN 514 N -1.89 6.26 0.65 7.38 3.84 -1.26 0.32 114.94 130.24 3ial s ASN 514 Ca -0.07 -0.56 0.34 0.00 0.21 0.00 0.00 52.86 52.78 3ial s ASN 514 Cb -0.06 -2.27 1.85 0.00 -0.55 0.00 0.00 41.25 40.21 3ial s ASN 514 CO -0.02 -0.71 2.07 -0.65 -2.79 0.00 0.00 177.10 175.00 3ial h PRO 515 N 8.83 0.00 0.00 0.43 0.11 -1.95 -1.98 132.00 137.43 3ial h PRO 515 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3ial h PRO 515 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ial h PRO 515 CO 0.86 0.00 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.18 3ial h ASP 516 N 0.00 0.00 -3.15 -2.05 3.32 -1.98 -3.44 116.42 109.12 3ial h ASP 516 Ca 0.02 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.53 3ial h ASP 516 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3ial h ASP 516 CO -0.00 0.03 0.60 -1.61 -1.72 0.00 0.00 179.24 176.55 3ial s GLU 517 N -3.62 4.41 0.16 3.56 2.02 -0.75 -5.00 118.70 119.48 3ial s GLU 517 Ca 0.02 1.76 -0.30 0.00 0.02 0.00 0.00 54.97 56.47 3ial s GLU 517 Cb 0.09 -3.41 -0.07 0.00 0.10 0.00 0.00 34.13 30.84 3ial s GLU 517 CO 0.57 -0.32 0.97 -0.80 0.02 0.00 0.00 175.26 175.71 3ial s ASN 518 N 1.20 7.51 -0.10 -0.19 -0.87 -1.26 -4.94 114.94 116.29 3ial s ASN 518 Ca 0.58 1.88 -0.27 0.00 -1.57 0.00 0.00 52.86 53.48 3ial s ASN 518 Cb -0.29 -2.60 -0.02 0.00 -0.02 0.00 0.00 41.25 38.33 3ial s ASN 518 CO 0.27 -0.02 0.86 -0.69 -2.57 0.00 0.00 177.10 174.96 3ial s VAL 519 N -0.37 4.90 0.40 1.60 1.01 -1.26 -5.02 120.40 121.66 3ial s VAL 519 Ca 0.46 1.75 -0.27 0.00 0.00 0.00 0.00 61.98 63.92 3ial s VAL 519 Cb -0.25 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 3ial s VAL 519 CO 0.31 0.10 1.44 -0.76 0.00 0.00 0.00 175.10 176.19 3ial s LEU 520 N 1.58 4.25 0.21 3.92 1.43 -1.26 -4.90 118.68 123.90 3ial s LEU 520 Ca 0.43 2.95 -0.32 0.00 -1.03 0.00 0.00 54.13 56.16 3ial s LEU 520 Cb -0.18 -3.78 -0.13 0.00 0.03 0.00 0.00 46.19 42.14 3ial s LEU 520 CO 0.18 -0.95 1.61 -2.65 0.23 0.00 0.00 176.35 174.76 3ial n PRO 521 N 0.23 2.46 -0.97 1.29 -0.01 -1.26 -2.03 135.00 134.71 3ial n PRO 521 Ca 0.02 0.88 0.00 0.00 -0.01 0.00 0.00 63.50 64.40 3ial n PRO 521 Cb 0.41 -2.67 0.00 0.00 -0.01 0.00 0.00 33.50 31.23 3ial n PRO 521 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3ial n GLY 522 N 3.19 0.76 3.75 -1.23 0.00 -1.26 -5.01 105.19 105.40 3ial n GLY 522 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3ial n GLY 522 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ial s GLU 523 N -0.03 4.20 0.11 1.61 2.56 -0.86 -4.94 118.70 121.34 3ial s GLU 523 Ca 0.00 2.44 0.07 0.00 0.00 0.00 0.00 54.97 57.48 3ial s GLU 523 Cb 0.00 -3.06 -0.04 0.00 2.00 0.00 0.00 34.13 33.03 3ial s GLU 523 CO 0.00 -0.50 -0.07 0.14 -0.56 0.00 0.00 175.26 174.27 3ial s VAL 524 N -0.21 3.53 0.15 3.70 -7.23 -1.26 -1.09 120.40 117.98 3ial s VAL 524 Ca 0.59 -1.24 -0.31 0.00 -1.81 0.00 0.00 61.98 59.21 3ial s VAL 524 Cb -0.45 -2.67 -0.10 0.00 0.56 0.00 0.00 36.38 33.72 3ial s VAL 524 CO 0.48 0.09 1.72 0.00 -0.31 0.00 0.00 175.10 177.08 3ial h ALA 526 N 7.72 1.32 0.00 0.00 0.00 -1.18 -1.56 119.26 125.56 3ial h ALA 526 Ca -0.44 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.10 3ial h ALA 526 Cb 1.21 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3ial h ALA 526 CO 0.94 0.04 -2.28 1.28 0.00 0.00 0.00 179.25 179.23 3ial n LEU 527 N -3.59 2.07 -0.03 0.00 4.77 -1.26 -4.17 117.00 114.79 3ial n LEU 527 Ca -0.03 -0.09 0.01 0.00 -0.03 0.00 0.00 56.01 55.88 3ial n LEU 527 Cb 0.13 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 3ial n LEU 527 CO 0.26 0.75 -0.74 -1.54 -1.33 0.00 0.00 177.39 174.79 3ial n SER 528 N -3.02 2.12 0.00 -1.43 3.41 -1.22 -4.99 113.62 108.49 3ial n SER 528 Ca -0.37 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 3ial n SER 528 Cb 0.98 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 66.18 3ial n SER 528 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ial n GLY 529 N 1.99 2.02 3.74 5.00 0.00 -0.59 -4.99 105.19 112.36 3ial n GLY 529 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3ial n GLY 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ial s LYS 530 N -0.24 1.46 0.31 1.61 1.02 -1.26 -4.53 119.74 118.10 3ial s LYS 530 Ca 0.00 0.77 -0.29 0.00 0.02 0.00 0.00 55.97 56.47 3ial s LYS 530 Cb 0.00 -1.84 -0.12 0.00 -0.52 0.00 0.00 37.83 35.35 3ial s LYS 530 CO 0.00 -2.09 1.42 -2.30 -0.92 0.00 0.00 175.35 171.46 3ial n PRO 531 N -3.77 2.32 -2.62 -1.68 -0.02 -1.26 0.40 135.00 128.36 3ial n PRO 531 Ca 0.07 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.96 3ial n PRO 531 Cb 0.56 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3ial n PRO 531 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ial s ALA 532 N -0.58 3.35 -0.77 3.55 0.00 -0.25 -4.40 121.76 122.66 3ial s ALA 532 Ca 0.60 0.73 0.09 0.00 0.00 0.00 0.00 51.96 53.38 3ial s ALA 532 Cb -0.56 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 3ial s ALA 532 CO 0.56 -0.01 0.56 1.33 0.00 0.00 0.00 175.76 178.20 3ial n VAL 533 N 1.77 0.00 -3.81 0.00 0.24 -0.73 -4.89 118.33 110.91 3ial n VAL 533 Ca -0.00 -0.39 -0.05 0.00 -2.04 0.00 0.00 64.34 61.86 3ial n VAL 533 Cb 0.46 1.09 -0.01 0.00 -1.47 0.00 0.00 33.84 33.92 3ial n VAL 533 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ial s TYR 535 N -3.16 3.10 0.45 0.00 2.02 -1.26 -1.20 117.35 117.30 3ial s TYR 535 Ca 0.14 -1.62 -0.13 0.00 -0.37 0.00 0.00 57.07 55.09 3ial s TYR 535 Cb -0.03 -2.07 -0.07 0.00 -0.40 0.00 0.00 41.96 39.39 3ial s TYR 535 CO 0.05 -0.74 0.86 -1.64 -1.57 0.00 0.00 175.55 172.51 3ial s MET 536 N 1.31 3.86 -0.09 -0.62 -1.94 0.72 -4.23 119.30 118.30 3ial s MET 536 Ca -0.01 0.69 0.03 0.00 -1.71 0.00 0.00 55.69 54.69 3ial s MET 536 Cb -0.17 -2.28 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 3ial s MET 536 CO -0.04 -0.13 -0.21 0.71 -0.01 0.00 0.00 175.02 175.34 3ial s TYR 537 N -2.46 2.60 -0.01 -0.03 2.02 0.11 -0.63 117.35 118.96 3ial s TYR 537 Ca 0.55 -0.82 0.08 0.00 -0.37 0.00 0.00 57.07 56.50 3ial s TYR 537 Cb -0.10 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 3ial s TYR 537 CO 0.31 -0.29 -0.25 0.00 -1.57 0.00 0.00 175.55 173.75 3ial s ALA 539 N -0.61 -1.63 0.26 0.00 0.00 -0.62 -0.68 121.76 118.48 3ial s ALA 539 Ca 0.10 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 3ial s ALA 539 Cb -0.09 0.76 -0.09 0.00 0.00 0.00 0.00 23.12 23.69 3ial s ALA 539 CO -0.00 -0.78 1.01 0.15 0.00 0.00 0.00 175.76 176.14 3ial s LYS 540 N -3.58 4.74 0.15 0.00 1.02 -1.26 -1.71 119.74 119.10 3ial s LYS 540 Ca 0.03 1.62 0.05 0.00 0.02 0.00 0.00 55.97 57.70 3ial s LYS 540 Cb -0.01 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3ial s LYS 540 CO -0.10 0.37 0.10 0.45 -0.92 0.00 0.00 175.35 175.24 3ial s SER 541 N -1.07 5.35 0.00 2.83 0.15 -1.26 -0.76 113.70 118.94 3ial s SER 541 Ca 0.43 -0.17 0.23 0.00 0.70 0.00 0.00 55.95 57.14 3ial s SER 541 Cb -0.28 -1.35 1.35 0.00 -1.71 0.00 0.00 66.02 64.03 3ial s SER 541 CO 0.36 0.09 1.73 -1.22 1.20 0.00 0.00 173.24 175.39