#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iud s PHE 4 N 0.00 3.29 0.29 -1.84 0.40 -1.26 -4.81 117.98 114.05 3iud s PHE 4 Ca 0.00 -2.02 0.02 0.00 -0.60 0.00 0.00 56.93 54.33 3iud s PHE 4 Cb 0.00 -2.13 0.56 0.00 0.51 0.00 0.00 43.02 41.96 3iud s PHE 4 CO 0.00 -0.83 1.87 0.00 0.70 0.00 0.00 175.22 176.96 3iud h ARG 5 N 7.94 0.97 -5.04 0.44 2.47 -1.93 -3.38 114.38 115.85 3iud h ARG 5 Ca -0.20 -0.06 -0.65 0.00 -1.26 0.00 0.00 59.98 57.81 3iud h ARG 5 Cb 1.05 -0.22 -0.26 0.00 -1.65 0.00 0.00 29.97 28.90 3iud h ARG 5 CO 0.52 0.64 -0.70 0.42 0.56 0.00 0.00 179.97 181.41 3iud s ILE 6 N -5.92 3.61 0.06 2.04 -1.09 -1.26 -5.03 121.20 113.60 3iud s ILE 6 Ca -0.12 -0.42 -0.36 0.00 -2.23 0.00 0.00 60.65 57.52 3iud s ILE 6 Cb 0.21 -2.64 -0.16 0.00 -1.58 0.00 0.00 42.46 38.30 3iud s ILE 6 CO 0.80 0.42 1.47 0.00 -1.23 0.00 0.00 174.94 176.41 3iud n ALA 7 N 4.62 -0.20 0.21 9.38 0.00 -1.26 -4.87 120.51 128.39 3iud n ALA 7 Ca -0.18 0.47 0.11 0.00 0.00 0.00 0.00 53.44 53.84 3iud n ALA 7 Cb 0.51 -2.18 0.65 0.00 0.00 0.00 0.00 19.45 18.43 3iud n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3iud h GLN 8 N 5.45 0.00 -0.39 0.00 4.20 -1.97 -2.19 115.11 120.21 3iud h GLN 8 Ca -0.47 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.14 3iud h GLN 8 Cb 1.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 3iud h GLN 8 CO 0.83 0.00 -0.18 0.38 -0.67 0.00 0.00 178.83 179.19 3iud h ASP 9 N 0.00 0.74 -0.39 1.46 3.04 -1.98 -0.21 116.42 119.08 3iud h ASP 9 Ca 0.05 -0.25 -0.10 0.00 -3.24 0.00 0.00 57.03 53.49 3iud h ASP 9 Cb 0.20 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 3iud h ASP 9 CO -0.00 0.92 -0.16 0.58 -2.04 0.00 0.00 179.24 178.54 3iud h VAL 10 N 0.66 1.28 -0.24 4.15 2.07 -1.77 0.43 116.25 122.82 3iud h VAL 10 Ca 0.10 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3iud h VAL 10 Cb 0.67 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3iud h VAL 10 CO 0.05 0.43 0.09 0.58 0.02 0.00 0.00 177.57 178.74 3iud h VAL 11 N 0.59 1.18 -0.52 2.57 2.07 -1.34 0.15 116.25 120.94 3iud h VAL 11 Ca 0.09 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3iud h VAL 11 Cb 0.70 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3iud h VAL 11 CO 0.05 0.18 0.28 0.00 0.02 0.00 0.00 177.57 178.10 3iud h ALA 12 N 0.93 0.67 0.62 1.67 0.00 -0.90 0.01 119.26 122.25 3iud h ALA 12 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iud h ALA 12 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iud h ALA 12 CO -0.01 0.20 -0.31 -0.09 0.00 0.00 0.00 179.25 179.04 3iud h ARG 13 N 0.70 -0.82 0.00 0.00 2.43 0.16 -0.14 114.38 116.71 3iud h ARG 13 Ca 0.18 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3iud h ARG 13 Cb 0.06 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3iud h ARG 13 CO -0.03 -0.55 0.00 0.39 -1.51 0.00 0.00 179.97 178.27 3iud n GLU 14 N -5.46 0.16 -0.07 0.20 -0.58 0.50 -1.95 120.64 113.44 3iud n GLU 14 Ca -0.13 0.48 -0.20 0.00 -0.42 0.00 0.00 57.16 56.89 3iud n GLU 14 Cb 0.35 -1.87 -0.12 0.00 -0.57 0.00 0.00 31.44 29.23 3iud n GLU 14 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3iud h ASN 15 N 0.00 0.07 -0.01 1.62 -0.26 -0.59 -3.34 115.58 113.07 3iud h ASN 15 Ca 0.00 -0.71 0.00 0.00 -0.56 0.00 0.00 56.30 55.04 3iud h ASN 15 Cb 0.25 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3iud h ASN 15 CO 0.00 1.39 0.01 0.44 -1.06 0.00 0.00 177.43 178.21 3iud h ASP 16 N -0.86 0.00 1.26 5.81 3.32 -0.81 -0.10 116.42 125.05 3iud h ASP 16 Ca -0.25 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3iud h ASP 16 Cb 1.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 3iud h ASP 16 CO -0.10 0.00 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.31 3iud h ARG 17 N 0.00 0.00 0.00 3.56 2.43 -1.52 -3.28 114.38 115.57 3iud h ARG 17 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3iud h ARG 17 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3iud h ARG 17 CO -0.00 0.01 -0.21 0.54 -1.51 0.00 0.00 179.97 178.80 3iud n ARG 18 N -3.11 5.52 -0.12 0.20 1.74 -0.38 -4.78 116.66 115.73 3iud n ARG 18 Ca 0.01 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.01 3iud n ARG 18 Cb 0.37 -0.71 -0.03 0.00 -1.02 0.00 0.00 32.46 31.07 3iud n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iud h ALA 19 N 0.60 -0.32 -0.63 7.54 0.00 -1.14 -0.58 119.26 124.74 3iud h ALA 19 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3iud h ALA 19 Cb 0.10 0.80 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 3iud h ALA 19 CO 0.00 -0.80 -0.20 1.03 0.00 0.00 0.00 179.25 179.28 3iud h SER 20 N -0.30 -0.73 -0.67 0.00 0.87 -1.86 0.24 113.55 111.10 3iud h SER 20 Ca 0.15 0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.86 3iud h SER 20 Cb 0.57 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3iud h SER 20 CO -0.55 -0.24 0.19 0.00 -0.53 0.00 0.00 176.83 175.70 3iud h ALA 21 N 1.49 0.88 -0.37 6.23 0.00 -1.75 -2.87 119.26 122.86 3iud h ALA 21 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3iud h ALA 21 Cb 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3iud h ALA 21 CO -0.67 0.57 0.18 1.25 0.00 0.00 0.00 179.25 180.59 3iud h LEU 22 N 0.98 0.48 -0.70 0.00 5.85 0.71 -2.09 115.31 120.54 3iud h LEU 22 Ca 0.21 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3iud h LEU 22 Cb 0.33 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3iud h LEU 22 CO -0.00 0.46 0.38 0.50 -0.34 0.00 0.00 178.44 179.44 3iud h LYS 23 N 0.46 0.66 0.45 1.25 3.64 -0.57 0.22 116.57 122.70 3iud h LYS 23 Ca 0.13 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3iud h LYS 23 Cb 0.10 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3iud h LYS 23 CO -0.02 0.44 -0.22 0.93 -2.27 0.00 0.00 179.45 178.31 3iud h GLU 24 N 0.68 -0.59 -0.48 1.90 4.39 -1.27 -0.83 114.58 118.38 3iud h GLU 24 Ca 0.32 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.02 3iud h GLU 24 Cb 0.24 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3iud h GLU 24 CO -0.21 -0.38 0.14 -0.44 -1.16 0.00 0.00 179.01 176.96 3iud h ASP 25 N -0.63 0.66 -0.25 1.42 3.32 -1.05 -0.65 116.42 119.23 3iud h ASP 25 Ca -0.06 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 3iud h ASP 25 Cb 0.48 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3iud h ASP 25 CO 0.10 0.64 -0.20 0.22 -1.72 0.00 0.00 179.24 178.28 3iud h TYR 26 N 0.70 0.69 -0.47 4.55 3.20 -0.45 -2.05 116.97 123.14 3iud h TYR 26 Ca 0.16 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 3iud h TYR 26 Cb 0.23 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3iud h TYR 26 CO 0.01 0.88 0.03 0.93 -1.64 0.00 0.00 178.16 178.37 3iud h GLU 27 N 0.30 0.81 -0.45 1.82 5.08 -0.91 -0.49 114.58 120.74 3iud h GLU 27 Ca 0.05 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3iud h GLU 27 Cb 0.74 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3iud h GLU 27 CO 0.05 0.85 0.28 0.00 -1.00 0.00 0.00 179.01 179.19 3iud h ALA 28 N 0.93 0.57 -0.36 3.43 0.00 -1.12 -0.86 119.26 121.85 3iud h ALA 28 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3iud h ALA 28 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3iud h ALA 28 CO 0.02 0.04 0.13 1.25 0.00 0.00 0.00 179.25 180.69 3iud h LEU 29 N 0.60 0.50 -0.83 0.00 5.85 -1.23 -2.21 115.31 117.99 3iud h LEU 29 Ca 0.16 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3iud h LEU 29 Cb -0.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3iud h LEU 29 CO -0.03 0.54 0.53 1.23 -0.34 0.00 0.00 178.44 180.37 3iud h GLY 30 N 0.43 1.23 0.98 3.75 0.00 -0.79 0.27 103.07 108.95 3iud h GLY 30 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3iud h GLY 30 CO -0.01 0.31 0.28 0.00 0.00 0.00 0.00 176.54 177.12 3iud h ALA 31 N 1.37 0.61 0.24 3.60 0.00 -0.97 0.16 119.26 124.27 3iud h ALA 31 Ca 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3iud h ALA 31 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3iud h ALA 31 CO -0.14 0.12 -0.12 -0.97 0.00 0.00 0.00 179.25 178.14 3iud h ASN 32 N 0.64 -0.27 -0.90 0.00 -0.73 -0.71 -1.60 115.58 112.01 3iud h ASN 32 Ca 0.17 -0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.38 3iud h ASN 32 Cb 0.02 0.07 -0.05 0.00 0.27 0.00 0.00 38.32 38.63 3iud h ASN 32 CO -0.03 -0.18 0.59 -0.07 -0.37 0.00 0.00 177.43 177.36 3iud h LEU 33 N -0.34 0.96 -0.29 0.34 3.38 -0.24 -1.69 115.31 117.43 3iud h LEU 33 Ca -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3iud h LEU 33 Cb 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3iud h LEU 33 CO 0.05 0.66 0.16 0.00 0.09 0.00 0.00 178.44 179.41 3iud h ALA 34 N 1.48 0.35 0.00 1.53 0.00 -0.38 0.47 119.26 122.72 3iud h ALA 34 Ca 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3iud h ALA 34 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iud h ALA 34 CO -0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 179.25 178.93 3iud h ARG 35 N 0.34 0.00 -0.60 0.00 3.08 -0.39 0.43 114.38 117.24 3iud h ARG 35 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3iud h ARG 35 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3iud h ARG 35 CO -0.05 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.39 3iud n ARG 36 N -3.09 4.80 -2.54 0.04 1.74 0.19 -4.91 116.66 112.89 3iud n ARG 36 Ca -0.03 -3.06 -0.21 0.00 -0.77 0.00 0.00 57.85 53.78 3iud n ARG 36 Cb 0.09 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 3iud n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iud n GLY 37 N 0.61 -0.48 3.15 -0.13 0.00 0.15 -4.99 105.19 103.50 3iud n GLY 37 Ca 0.27 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 3iud n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iud s VAL 38 N -3.06 1.78 -0.61 1.61 1.01 0.14 -4.97 120.40 116.30 3iud s VAL 38 Ca 0.07 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 3iud s VAL 38 Cb -0.03 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.85 3iud s VAL 38 CO 0.09 0.50 0.88 -0.62 0.00 0.00 0.00 175.10 175.95 3iud s ASP 39 N 0.56 6.21 0.47 3.32 2.15 -1.26 -2.49 116.67 125.63 3iud s ASP 39 Ca -0.15 -0.91 0.28 0.00 0.43 0.00 0.00 52.55 52.19 3iud s ASP 39 Cb -0.17 -2.39 1.33 0.00 -0.30 0.00 0.00 42.92 41.40 3iud s ASP 39 CO 0.05 -1.28 1.79 -0.29 -0.17 0.00 0.00 175.17 175.26 3iud h ILE 40 N 5.96 0.46 -0.29 4.11 2.10 -1.92 0.17 117.51 128.10 3iud h ILE 40 Ca -0.28 -0.06 -0.04 0.00 1.08 0.00 0.00 64.86 65.55 3iud h ILE 40 Cb 1.08 0.25 -0.02 0.00 -1.09 0.00 0.00 36.82 37.04 3iud h ILE 40 CO 1.12 0.03 -0.02 -0.08 -1.08 0.00 0.00 178.15 178.13 3iud h GLU 41 N 0.19 0.44 -0.19 2.19 4.57 -1.98 -1.36 114.58 118.43 3iud h GLU 41 Ca 0.58 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.56 3iud h GLU 41 Cb 1.88 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.40 3iud h GLU 41 CO -0.16 0.48 -0.36 0.00 -1.18 0.00 0.00 179.01 177.80 3iud h ALA 42 N 1.56 1.03 -0.02 2.92 0.00 -1.08 -2.10 119.26 121.57 3iud h ALA 42 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3iud h ALA 42 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iud h ALA 42 CO 0.01 0.59 -0.06 0.28 0.00 0.00 0.00 179.25 180.07 3iud h VAL 43 N 0.35 1.47 -0.97 0.00 2.07 -1.36 -3.12 116.25 114.69 3iud h VAL 43 Ca 0.04 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.14 3iud h VAL 43 Cb 0.79 2.42 -0.07 0.00 -1.52 0.00 0.00 31.29 32.92 3iud h VAL 43 CO 0.06 0.40 0.63 0.74 0.02 0.00 0.00 177.57 179.42 3iud h THR 44 N -0.51 1.06 -0.98 2.57 2.02 -1.24 -1.02 112.91 114.81 3iud h THR 44 Ca -0.00 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.83 3iud h THR 44 Cb 0.68 -0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 3iud h THR 44 CO 0.01 0.20 0.64 0.00 0.37 0.00 0.00 175.52 176.75 3iud h ALA 45 N 1.49 1.29 0.07 6.16 0.00 -1.39 -0.34 119.26 126.54 3iud h ALA 45 Ca 0.43 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 3iud h ALA 45 Cb 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3iud h ALA 45 CO -0.17 0.56 -1.09 0.87 0.00 0.00 0.00 179.25 179.41 3iud h LYS 46 N 1.26 0.27 -0.65 0.00 1.57 -1.31 -3.15 116.57 114.57 3iud h LYS 46 Ca 0.39 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3iud h LYS 46 Cb -0.03 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3iud h LYS 46 CO -0.11 1.13 0.24 0.28 -0.57 0.00 0.00 179.45 180.41 3iud h VAL 47 N 0.11 1.23 -0.30 0.50 2.07 -0.83 -1.91 116.25 117.12 3iud h VAL 47 Ca -0.10 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3iud h VAL 47 Cb 1.78 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3iud h VAL 47 CO 0.18 0.30 0.18 -0.33 0.02 0.00 0.00 177.57 177.91 3iud h GLU 48 N 0.94 0.40 -0.13 1.57 5.08 -1.06 -2.65 114.58 118.73 3iud h GLU 48 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3iud h GLU 48 Cb 0.21 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3iud h GLU 48 CO -0.02 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 3iud n LYS 49 N -4.47 1.93 -3.07 2.33 5.02 -0.75 -4.91 118.16 114.24 3iud n LYS 49 Ca 0.01 -1.38 -0.40 0.00 -2.02 0.00 0.00 58.31 54.53 3iud n LYS 49 Cb 0.08 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 3iud n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3iud s PHE 50 N -1.85 3.51 0.10 2.13 2.19 -1.00 -5.06 117.98 118.00 3iud s PHE 50 Ca 0.34 1.14 0.06 0.00 0.33 0.00 0.00 56.93 58.80 3iud s PHE 50 Cb 0.20 -2.80 -0.03 0.00 -1.31 0.00 0.00 43.02 39.07 3iud s PHE 50 CO 0.30 -0.00 -0.15 -0.06 1.83 0.00 0.00 175.22 177.14 3iud s PHE 51 N 1.19 1.38 -0.02 10.12 0.08 -1.26 -4.73 117.98 124.74 3iud s PHE 51 Ca 0.34 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3iud s PHE 51 Cb -0.17 -0.74 0.02 0.00 -0.57 0.00 0.00 43.02 41.55 3iud s PHE 51 CO 0.15 0.12 0.03 0.54 -0.10 0.00 0.00 175.22 175.96 3iud s VAL 52 N -1.71 -0.03 0.53 -0.44 0.11 -0.61 -4.82 120.40 113.42 3iud s VAL 52 Ca 0.05 0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 59.02 3iud s VAL 52 Cb -0.07 -0.07 -0.06 0.00 -1.53 0.00 0.00 36.38 34.64 3iud s VAL 52 CO 0.03 0.05 1.08 0.00 -3.33 0.00 0.00 175.10 172.92 3iud s ALA 53 N 0.59 2.77 -0.13 1.54 0.00 -0.64 -4.23 121.76 121.66 3iud s ALA 53 Ca -0.05 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 3iud s ALA 53 Cb -0.07 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3iud s ALA 53 CO -0.02 -0.59 -0.02 0.08 0.00 0.00 0.00 175.76 175.20 3iud s VAL 54 N -1.98 4.05 -0.05 0.00 1.01 -0.58 -1.19 120.40 121.67 3iud s VAL 54 Ca 0.69 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3iud s VAL 54 Cb -0.19 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3iud s VAL 54 CO 0.26 0.54 1.14 -2.16 0.00 0.00 0.00 175.10 174.88 3iud s PRO 55 N -0.15 4.39 0.39 2.72 0.04 -1.25 -0.60 135.00 140.55 3iud s PRO 55 Ca 0.04 1.61 0.14 0.00 0.04 0.00 0.00 61.00 62.83 3iud s PRO 55 Cb -0.13 -3.52 0.99 0.00 0.04 0.00 0.00 34.50 31.88 3iud s PRO 55 CO 0.02 -0.36 1.85 0.66 0.04 0.00 0.00 177.00 179.21 3iud h SER 56 N 7.25 0.50 0.40 6.66 4.64 -1.63 0.35 113.55 131.70 3iud h SER 56 Ca -0.35 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3iud h SER 56 Cb 1.17 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3iud h SER 56 CO 0.86 0.21 -0.02 -2.67 -0.87 0.00 0.00 176.83 174.33 3iud n TRP 57 N -4.55 0.00 0.43 4.77 2.14 -1.26 -3.55 117.44 115.42 3iud n TRP 57 Ca 0.19 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.89 3iud n TRP 57 Cb 0.63 -0.20 0.34 0.00 -0.81 0.00 0.00 31.31 31.27 3iud n TRP 57 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3iud h GLY 58 N 4.99 0.00 1.04 -1.67 0.00 -0.58 -3.19 103.07 103.66 3iud h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iud h GLY 58 CO 0.00 0.00 -0.10 3.33 0.00 0.00 0.00 176.54 179.77 3iud n VAL 59 N -2.64 0.00 -3.93 4.60 0.24 -1.23 -4.78 118.33 110.59 3iud n VAL 59 Ca 0.04 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 3iud n VAL 59 Cb 0.44 -0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.61 3iud n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iud s GLY 60 N -2.51 2.05 0.14 7.63 0.00 -1.21 -4.66 107.32 108.76 3iud s GLY 60 Ca 0.28 -0.90 -0.31 0.00 0.00 0.00 0.00 44.72 43.80 3iud s GLY 60 CO 0.48 -0.88 1.34 -1.59 0.00 0.00 0.00 173.10 172.44 3iud s THR 61 N -1.58 3.34 0.57 0.90 2.01 -1.26 -4.63 115.64 114.99 3iud s THR 61 Ca 0.35 1.01 0.06 0.00 0.31 0.00 0.00 61.69 63.41 3iud s THR 61 Cb -0.12 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 68.81 3iud s THR 61 CO 0.28 0.11 0.79 -0.83 -0.69 0.00 0.00 174.62 174.28 3iud s GLY 62 N 0.80 1.80 0.09 4.40 0.00 -0.37 -4.93 107.32 109.11 3iud s GLY 62 Ca 0.61 -1.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.50 3iud s GLY 62 CO 0.33 -1.43 0.12 0.61 0.00 0.00 0.00 173.10 172.74 3iud n GLY 63 N -2.31 2.90 3.70 0.20 0.00 -1.26 -4.19 105.19 104.23 3iud n GLY 63 Ca 0.13 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 3iud n GLY 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iud s THR 64 N -2.52 1.60 0.28 2.61 -4.23 -0.50 -5.00 115.64 107.88 3iud s THR 64 Ca 0.07 -1.98 0.36 0.00 -1.18 0.00 0.00 61.69 58.97 3iud s THR 64 Cb -0.00 -2.58 0.37 0.00 1.34 0.00 0.00 72.50 71.63 3iud s THR 64 CO 0.05 0.00 2.10 0.08 -0.54 0.00 0.00 174.62 176.31 3iud h ARG 65 N 1.53 0.00 0.07 3.99 0.11 -2.02 -2.66 114.38 115.41 3iud h ARG 65 Ca -0.44 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.37 3iud h ARG 65 Cb 1.28 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.34 3iud h ARG 65 CO 0.77 0.00 -1.32 0.74 0.10 0.00 0.00 179.97 180.25 3iud h PHE 66 N 0.00 0.29 -1.17 4.08 0.04 -1.96 -3.49 116.94 114.72 3iud h PHE 66 Ca 0.00 -0.21 0.33 0.00 2.80 0.00 0.00 57.97 60.89 3iud h PHE 66 Cb 0.14 -0.01 -0.18 0.00 2.20 0.00 0.00 35.95 38.09 3iud h PHE 66 CO 0.00 1.21 0.93 0.00 -0.60 0.00 0.00 178.31 179.85 3iud s ALA 67 N -2.65 -2.24 -0.05 2.45 0.00 -1.00 -4.85 121.76 113.42 3iud s ALA 67 Ca -0.04 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 3iud s ALA 67 Cb 0.08 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.08 3iud s ALA 67 CO 0.85 -0.70 -0.01 0.50 0.00 0.00 0.00 175.76 176.40 3iud s ARG 68 N -2.16 0.52 -0.70 0.00 3.52 -1.10 -1.41 118.95 117.63 3iud s ARG 68 Ca 0.12 0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 3iud s ARG 68 Cb 0.01 -0.73 0.17 0.00 -1.56 0.00 0.00 34.95 32.84 3iud s ARG 68 CO -0.04 -0.18 0.50 -0.06 -0.81 0.00 0.00 175.30 174.72 3iud s PHE 69 N 1.33 3.56 0.79 5.12 0.08 -1.26 -0.11 117.98 127.48 3iud s PHE 69 Ca -0.05 -3.23 -0.14 0.00 0.12 0.00 0.00 56.93 53.64 3iud s PHE 69 Cb -0.13 -2.85 0.07 0.00 -0.57 0.00 0.00 43.02 39.54 3iud s PHE 69 CO -0.02 -0.63 1.21 -1.25 -0.10 0.00 0.00 175.22 174.43 3iud s PRO 70 N -1.17 1.76 0.00 0.24 0.04 -1.26 -4.97 135.00 129.64 3iud s PRO 70 Ca 0.24 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.04 3iud s PRO 70 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3iud s PRO 70 CO -0.12 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.20 3iud n GLY 71 N 0.46 1.53 3.90 0.56 0.00 -1.26 -4.96 105.19 105.42 3iud n GLY 71 Ca 0.13 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 3iud n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iud s THR 72 N 1.67 5.38 -0.50 2.61 -4.23 -1.26 -4.45 115.64 114.85 3iud s THR 72 Ca 0.00 -0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 3iud s THR 72 Cb 0.00 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.29 3iud s THR 72 CO 0.00 0.26 0.16 0.61 -0.54 0.00 0.00 174.62 175.11 3iud n GLY 73 N 0.71 0.27 3.75 3.99 0.00 -1.26 -4.65 105.19 107.99 3iud n GLY 73 Ca -0.09 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3iud n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iud s GLU 74 N -4.80 4.31 0.24 1.61 0.41 -1.26 -4.69 118.70 114.52 3iud s GLU 74 Ca 0.08 2.23 -0.31 0.00 -0.41 0.00 0.00 54.97 56.56 3iud s GLU 74 Cb -0.03 -3.12 -0.11 0.00 -1.78 0.00 0.00 34.13 29.09 3iud s GLU 74 CO 0.10 -0.33 1.55 -1.25 -0.49 0.00 0.00 175.26 174.84 3iud s PRO 75 N -0.64 4.19 0.29 0.39 0.04 -1.26 -4.83 135.00 133.17 3iud s PRO 75 Ca 0.56 2.44 0.15 0.00 0.04 0.00 0.00 61.00 64.19 3iud s PRO 75 Cb -0.40 -3.09 0.26 0.00 0.04 0.00 0.00 34.50 31.31 3iud s PRO 75 CO 0.44 -0.57 1.53 0.00 0.04 0.00 0.00 177.00 178.44 3iud h ARG 76 N 5.57 0.00 0.00 4.56 3.08 -1.93 -3.47 114.38 122.19 3iud h ARG 76 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3iud h ARG 76 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3iud h ARG 76 CO 0.83 0.54 0.00 0.41 -1.07 0.00 0.00 179.97 180.68 3iud n GLY 77 N 0.85 1.19 0.35 0.04 0.00 -1.26 -5.02 105.19 101.34 3iud n GLY 77 Ca 0.01 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.29 3iud n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3iud h ILE 78 N 0.90 0.64 -0.44 -0.61 6.09 -1.91 -0.74 117.51 121.45 3iud h ILE 78 Ca 0.00 -0.23 -0.08 0.00 -1.37 0.00 0.00 64.86 63.17 3iud h ILE 78 Cb 0.00 -0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.17 3iud h ILE 78 CO 0.00 0.12 -0.05 -0.26 -3.07 0.00 0.00 178.15 174.90 3iud h PHE 79 N 0.68 0.89 -0.40 2.19 0.04 -1.96 0.17 116.94 118.54 3iud h PHE 79 Ca 0.59 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 61.13 3iud h PHE 79 Cb 1.00 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 3iud h PHE 79 CO -0.02 0.88 0.01 -0.44 -0.60 0.00 0.00 178.31 178.15 3iud h ASP 80 N 0.64 0.69 -0.98 2.17 3.32 -1.78 -2.34 116.42 118.12 3iud h ASP 80 Ca 0.12 -0.30 0.08 0.00 0.02 0.00 0.00 57.03 56.94 3iud h ASP 80 Cb 0.56 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 3iud h ASP 80 CO 0.03 0.82 0.63 0.11 -1.72 0.00 0.00 179.24 179.12 3iud h LYS 81 N 0.54 1.08 -0.51 3.56 1.57 -0.97 -0.77 116.57 121.06 3iud h LYS 81 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 3iud h LYS 81 Cb 0.46 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3iud h LYS 81 CO 0.02 0.71 0.00 -0.07 -0.57 0.00 0.00 179.45 179.54 3iud h LEU 82 N 1.11 0.83 -1.25 2.94 3.38 -0.66 -0.74 115.31 120.92 3iud h LEU 82 Ca 0.44 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 3iud h LEU 82 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3iud h LEU 82 CO -0.18 0.89 -0.09 0.44 0.09 0.00 0.00 178.44 179.59 3iud h ASP 83 N 0.80 0.39 0.13 -0.43 3.32 -0.65 -1.42 116.42 118.57 3iud h ASP 83 Ca 0.15 -0.08 -0.21 0.00 0.02 0.00 0.00 57.03 56.90 3iud h ASP 83 Cb 0.47 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3iud h ASP 83 CO 0.02 0.52 -0.83 0.44 -1.72 0.00 0.00 179.24 177.67 3iud h ASP 84 N 0.39 0.67 0.11 6.45 3.32 -0.62 -3.16 116.42 123.58 3iud h ASP 84 Ca 0.08 -0.47 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 3iud h ASP 84 Cb 0.40 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3iud h ASP 84 CO 0.02 1.25 -0.30 0.00 -1.72 0.00 0.00 179.24 178.50 3iud h ALA 86 N 1.43 1.77 -0.16 0.00 0.00 -1.23 -1.25 119.26 119.82 3iud h ALA 86 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3iud h ALA 86 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3iud h ALA 86 CO 0.05 0.21 -0.00 0.28 0.00 0.00 0.00 179.25 179.78 3iud h VAL 87 N 0.46 1.25 -0.34 0.00 2.07 -1.42 -0.49 116.25 117.78 3iud h VAL 87 Ca 0.13 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3iud h VAL 87 Cb -0.02 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3iud h VAL 87 CO -0.03 0.25 0.03 0.40 0.02 0.00 0.00 177.57 178.24 3iud h ILE 88 N 0.03 0.78 -0.69 4.57 2.04 -1.21 -1.71 117.51 121.31 3iud h ILE 88 Ca 0.05 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3iud h ILE 88 Cb 0.38 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3iud h ILE 88 CO 0.01 0.02 0.20 -0.61 0.00 0.00 0.00 178.15 177.78 3iud h GLN 89 N 0.13 1.08 -0.56 2.37 5.75 -1.16 -0.49 115.11 122.23 3iud h GLN 89 Ca 0.17 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 3iud h GLN 89 Cb 0.21 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3iud h GLN 89 CO -0.25 0.93 0.10 0.37 -2.65 0.00 0.00 178.83 177.32 3iud h GLN 90 N 1.03 0.92 0.19 1.69 4.15 -0.55 0.29 115.11 122.83 3iud h GLN 90 Ca 0.22 -0.24 -0.33 0.00 0.77 0.00 0.00 58.65 59.07 3iud h GLN 90 Cb 0.31 -0.11 0.02 0.00 0.21 0.00 0.00 27.48 27.90 3iud h GLN 90 CO -0.01 0.88 -1.54 -0.07 -1.93 0.00 0.00 178.83 176.17 3iud h LEU 91 N 0.82 0.63 0.00 -2.39 3.38 -1.23 -3.37 115.31 113.15 3iud h LEU 91 Ca 0.17 -0.78 -0.23 0.00 0.09 0.00 0.00 57.88 57.13 3iud h LEU 91 Cb 0.40 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3iud h LEU 91 CO 0.01 1.63 -2.07 0.35 0.09 0.00 0.00 178.44 178.45 3iud n THR 92 N -3.60 1.00 -1.56 0.22 -2.24 -0.20 -1.18 114.28 106.73 3iud n THR 92 Ca -0.18 -0.73 -0.19 0.00 -2.27 0.00 0.00 64.05 60.68 3iud n THR 92 Cb 1.07 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 3iud n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iud n ARG 93 N -2.66 -1.46 -0.04 -0.78 5.12 0.10 -4.77 116.66 112.17 3iud n ARG 93 Ca -0.20 1.15 0.04 0.00 -1.93 0.00 0.00 57.85 56.91 3iud n ARG 93 Cb 0.94 -5.53 0.05 0.00 -1.16 0.00 0.00 32.46 26.77 3iud n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iud n ALA 94 N 1.26 2.38 -3.12 7.54 0.00 -1.26 -4.77 120.51 122.54 3iud n ALA 94 Ca -0.19 -0.72 -0.21 0.00 0.00 0.00 0.00 53.44 52.32 3iud n ALA 94 Cb 0.65 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 3iud n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iud n THR 95 N 0.37 0.79 0.30 0.00 -2.24 -1.26 -1.57 114.28 110.68 3iud n THR 95 Ca 0.06 -4.87 0.19 0.00 -2.27 0.00 0.00 64.05 57.15 3iud n THR 95 Cb 0.25 -0.65 0.89 0.00 -2.10 0.00 0.00 70.33 68.71 3iud n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3iud h PRO 96 N 3.03 0.00 -6.61 -0.78 0.13 -1.86 -3.41 132.00 122.51 3iud h PRO 96 Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.55 3iud h PRO 96 Cb 0.83 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.67 3iud h PRO 96 CO 0.60 0.00 -0.88 -0.80 -0.23 0.00 0.00 178.00 176.68 3iud s ASN 97 N -5.33 3.04 -0.08 1.44 0.01 -1.26 -0.16 114.94 112.60 3iud s ASN 97 Ca -0.01 -0.50 -0.00 0.00 -0.71 0.00 0.00 52.86 51.63 3iud s ASN 97 Cb 0.10 -0.32 -0.03 0.00 0.41 0.00 0.00 41.25 41.41 3iud s ASN 97 CO 0.47 0.30 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.63 3iud s VAL 98 N -0.66 3.98 -0.29 1.60 1.01 -0.38 -1.53 120.40 124.12 3iud s VAL 98 Ca 0.10 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3iud s VAL 98 Cb -0.10 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3iud s VAL 98 CO -0.00 0.60 0.20 -0.55 0.00 0.00 0.00 175.10 175.35 3iud s SER 99 N -0.82 6.02 0.45 3.32 0.15 0.23 -0.17 113.70 122.89 3iud s SER 99 Ca 0.12 -0.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.57 3iud s SER 99 Cb -0.11 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 3iud s SER 99 CO 0.02 -0.10 0.79 -0.76 1.20 0.00 0.00 173.24 174.40 3iud s LEU 100 N 1.75 3.70 -0.15 3.45 1.43 -1.24 -1.49 118.68 126.13 3iud s LEU 100 Ca 0.07 1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 54.22 3iud s LEU 100 Cb -0.16 -3.99 0.04 0.00 0.03 0.00 0.00 46.19 42.11 3iud s LEU 100 CO 0.11 -0.51 -0.04 -2.28 0.23 0.00 0.00 176.35 173.86 3iud s HIS 101 N -2.59 1.48 -0.02 0.29 2.46 -1.26 -1.50 115.29 114.15 3iud s HIS 101 Ca 0.50 -0.89 -0.03 0.00 0.47 0.00 0.00 55.06 55.11 3iud s HIS 101 Cb -0.10 -1.21 -0.04 0.00 -0.13 0.00 0.00 32.58 31.09 3iud s HIS 101 CO 0.39 -0.56 0.19 0.42 -2.47 0.00 0.00 174.74 172.70 3iud s ILE 102 N 1.71 5.43 -0.91 0.89 1.09 -0.38 -0.06 121.20 128.97 3iud s ILE 102 Ca 0.02 -0.10 0.25 0.00 -1.10 0.00 0.00 60.65 59.72 3iud s ILE 102 Cb -0.14 -3.53 0.23 0.00 -1.06 0.00 0.00 42.46 37.95 3iud s ILE 102 CO -0.08 0.35 1.80 -0.81 -0.10 0.00 0.00 174.94 176.11 3iud n PRO 103 N 1.04 0.07 -0.30 2.79 -0.04 -1.26 -2.52 135.00 134.78 3iud n PRO 103 Ca -0.12 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 3iud n PRO 103 Cb 0.53 -1.59 0.27 0.00 -0.04 0.00 0.00 33.50 32.66 3iud n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3iud h TRP 104 N 0.00 0.16 -0.66 0.54 6.55 -1.86 -0.11 115.95 120.57 3iud h TRP 104 Ca 0.00 0.06 -0.13 0.00 0.95 0.00 0.00 58.89 59.77 3iud h TRP 104 Cb 0.50 0.07 -0.08 0.00 -0.86 0.00 0.00 29.16 28.79 3iud h TRP 104 CO 0.00 -0.29 0.16 -0.25 -1.05 0.00 0.00 178.44 177.01 3iud n ASP 105 N -5.33 5.13 -4.66 -3.49 8.00 0.92 -4.58 116.55 112.53 3iud n ASP 105 Ca 0.21 -3.12 -0.42 0.00 0.71 0.00 0.00 54.79 52.16 3iud n ASP 105 Cb 0.67 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 3iud n ASP 105 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3iud s LYS 106 N -2.92 4.15 0.20 -1.24 2.20 -0.06 -4.92 119.74 117.17 3iud s LYS 106 Ca 0.55 2.48 -0.23 0.00 -0.36 0.00 0.00 55.97 58.41 3iud s LYS 106 Cb 0.43 -4.08 0.06 0.00 -1.51 0.00 0.00 37.83 32.73 3iud s LYS 106 CO 0.14 -0.91 0.91 0.00 -0.36 0.00 0.00 175.35 175.13 3iud s ALA 107 N 4.23 -1.48 -0.05 3.13 0.00 -1.26 -5.04 121.76 121.29 3iud s ALA 107 Ca 0.83 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 3iud s ALA 107 Cb -0.40 0.70 -0.07 0.00 0.00 0.00 0.00 23.12 23.35 3iud s ALA 107 CO 0.38 -1.04 1.99 0.34 0.00 0.00 0.00 175.76 177.43 3iud s ASP 108 N -3.01 6.21 0.43 0.00 2.15 -1.26 -4.85 116.67 116.34 3iud s ASP 108 Ca 0.14 2.40 0.22 0.00 0.43 0.00 0.00 52.55 55.73 3iud s ASP 108 Cb -0.03 -2.53 1.19 0.00 -0.30 0.00 0.00 42.92 41.26 3iud s ASP 108 CO 0.04 -1.28 1.80 -0.65 -0.17 0.00 0.00 175.17 174.91 3iud h PRO 109 N 11.65 0.30 -0.42 4.34 0.11 -1.95 0.16 132.00 146.19 3iud h PRO 109 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3iud h PRO 109 Cb 1.23 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3iud h PRO 109 CO 0.95 0.20 0.07 0.87 -0.21 0.00 0.00 178.00 179.88 3iud h LYS 110 N 0.31 0.69 -0.11 1.05 1.57 -1.90 -1.97 116.57 116.21 3iud h LYS 110 Ca 0.55 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 3iud h LYS 110 Cb 1.57 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.79 3iud h LYS 110 CO -0.21 0.72 0.01 0.93 -0.57 0.00 0.00 179.45 180.34 3iud h GLU 111 N 0.54 0.18 -0.01 3.15 5.08 -1.12 -1.80 114.58 120.61 3iud h GLU 111 Ca 0.13 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3iud h GLU 111 Cb 0.37 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3iud h GLU 111 CO 0.01 0.40 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.91 3iud h LEU 112 N -0.06 -1.32 -0.27 1.33 3.38 -1.21 -0.09 115.31 117.07 3iud h LEU 112 Ca 0.03 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3iud h LEU 112 Cb 0.31 0.52 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 3iud h LEU 112 CO 0.00 -0.46 -0.05 0.50 0.09 0.00 0.00 178.44 178.53 3iud h LYS 113 N -0.58 0.03 -0.50 1.13 1.63 -1.37 0.00 116.57 116.90 3iud h LYS 113 Ca 0.05 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.93 3iud h LYS 113 Cb 0.66 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.21 3iud h LYS 113 CO -0.33 0.02 0.11 0.00 -3.45 0.00 0.00 179.45 175.80 3iud h ALA 114 N 1.26 0.57 -0.43 5.00 0.00 -0.84 0.14 119.26 124.95 3iud h ALA 114 Ca 0.13 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3iud h ALA 114 Cb 0.19 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3iud h ALA 114 CO -0.26 -0.30 0.08 -0.09 0.00 0.00 0.00 179.25 178.68 3iud h ARG 115 N 0.25 0.71 0.04 0.00 9.65 -0.44 -0.12 114.38 124.47 3iud h ARG 115 Ca 0.25 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3iud h ARG 115 Cb 0.33 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3iud h ARG 115 CO -0.32 0.74 -0.03 0.78 2.80 0.00 0.00 179.97 183.94 3iud h GLY 116 N 0.57 -0.07 0.44 2.80 0.00 -0.31 0.56 103.07 107.08 3iud h GLY 116 Ca 0.13 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.55 3iud h GLY 116 CO 0.01 -0.04 -0.11 -0.55 0.00 0.00 0.00 176.54 175.85 3iud h ASP 117 N -0.07 -0.37 -0.18 0.19 3.32 -0.62 0.57 116.42 119.25 3iud h ASP 117 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3iud h ASP 117 Cb 0.07 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3iud h ASP 117 CO -0.01 -0.14 0.12 0.00 -1.72 0.00 0.00 179.24 177.49 3iud h ALA 118 N 1.08 1.96 0.00 3.45 0.00 -0.70 -1.73 119.26 123.32 3iud h ALA 118 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iud h ALA 118 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iud h ALA 118 CO -0.27 0.02 -0.65 1.28 0.00 0.00 0.00 179.25 179.62 3iud n LEU 119 N -4.51 0.64 -0.53 0.00 4.77 0.16 -3.62 117.00 113.92 3iud n LEU 119 Ca 0.00 -0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 55.83 3iud n LEU 119 Cb 0.13 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3iud n LEU 119 CO 0.35 0.16 0.01 0.61 -1.33 0.00 0.00 177.39 177.18 3iud n GLY 120 N 1.50 0.71 3.19 -0.72 0.00 0.17 -4.93 105.19 105.09 3iud n GLY 120 Ca 0.05 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 3iud n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iud s LEU 121 N -1.08 2.09 0.00 0.99 1.43 0.68 -4.90 118.68 117.89 3iud s LEU 121 Ca 0.02 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3iud s LEU 121 Cb -0.01 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.37 3iud s LEU 121 CO 0.03 0.18 0.40 0.61 0.23 0.00 0.00 176.35 177.80 3iud n GLY 122 N 2.33 2.48 3.18 -3.19 0.00 0.77 -3.79 105.19 106.97 3iud n GLY 122 Ca -0.16 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 3iud n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iud s PHE 123 N -1.79 2.22 0.00 1.61 0.08 -1.26 -1.26 117.98 117.58 3iud s PHE 123 Ca 0.31 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.53 3iud s PHE 123 Cb -0.02 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 3iud s PHE 123 CO 0.19 -0.33 0.00 -3.47 -0.10 0.00 0.00 175.22 171.52 3iud n ASP 124 N 3.44 0.00 -4.73 1.36 2.03 0.76 -4.33 116.55 115.08 3iud n ASP 124 Ca -0.19 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.70 3iud n ASP 124 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 3iud n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iud n ALA 125 N -3.00 1.94 -1.79 -1.67 0.00 -1.26 -4.50 120.51 110.23 3iud n ALA 125 Ca 0.00 0.36 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 3iud n ALA 125 Cb 0.00 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 3iud n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3iud s MET 126 N -1.49 4.42 -0.16 0.00 -1.94 0.11 -3.73 119.30 116.50 3iud s MET 126 Ca 0.58 1.28 0.01 0.00 -1.71 0.00 0.00 55.69 55.85 3iud s MET 126 Cb -0.53 -2.57 0.02 0.00 2.01 0.00 0.00 34.83 33.76 3iud s MET 126 CO 0.58 0.13 -0.18 -0.80 -0.01 0.00 0.00 175.02 174.74 3iud s ASN 127 N -1.79 2.95 0.47 3.03 0.01 -0.56 0.56 114.94 119.60 3iud s ASN 127 Ca 0.55 -0.58 -0.04 0.00 -0.71 0.00 0.00 52.86 52.08 3iud s ASN 127 Cb -0.16 -1.36 -0.03 0.00 0.41 0.00 0.00 41.25 40.11 3iud s ASN 127 CO 0.21 -0.01 0.75 -0.94 -1.51 0.00 0.00 177.10 175.60 3iud s SER 128 N 1.30 6.19 -0.33 -1.22 1.04 -1.20 -1.26 113.70 118.22 3iud s SER 128 Ca 0.03 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.27 3iud s SER 128 Cb -0.13 -2.13 0.11 0.00 0.10 0.00 0.00 66.02 63.96 3iud s SER 128 CO -0.11 -0.58 0.11 0.21 0.98 0.00 0.00 173.24 173.85 3iud s ASN 129 N -4.12 4.05 -0.16 7.02 3.84 -1.05 -4.71 114.94 119.81 3iud s ASN 129 Ca 0.47 -1.83 0.16 0.00 0.21 0.00 0.00 52.86 51.87 3iud s ASN 129 Cb -0.10 -0.96 0.44 0.00 -0.55 0.00 0.00 41.25 40.07 3iud s ASN 129 CO 0.43 -0.39 1.19 0.35 -2.79 0.00 0.00 177.10 175.89 3iud n THR 130 N 4.60 1.48 -0.45 -5.21 -2.24 -1.26 -4.64 114.28 106.57 3iud n THR 130 Ca 0.00 -2.67 0.06 0.00 -2.27 0.00 0.00 64.05 59.17 3iud n THR 130 Cb 0.41 0.17 0.14 0.00 -2.10 0.00 0.00 70.33 68.95 3iud n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3iud n PHE 131 N -0.51 0.42 -3.47 4.78 1.16 -1.26 -4.63 117.46 113.95 3iud n PHE 131 Ca 0.17 -0.65 -0.13 0.00 -1.87 0.00 0.00 57.45 54.97 3iud n PHE 131 Cb 0.88 -0.12 -0.03 0.00 -1.61 0.00 0.00 39.48 38.60 3iud n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3iud s SER 132 N -1.46 -0.54 -0.10 5.98 1.04 -1.26 -4.95 113.70 112.41 3iud s SER 132 Ca 0.24 0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.78 3iud s SER 132 Cb 0.17 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.76 3iud s SER 132 CO 0.09 -0.76 0.21 -1.81 0.98 0.00 0.00 173.24 171.95 3iud s ASP 133 N -2.17 6.47 0.24 7.02 1.01 -1.26 -4.84 116.67 123.14 3iud s ASP 133 Ca -0.01 0.56 0.02 0.00 0.71 0.00 0.00 52.55 53.83 3iud s ASP 133 Cb -0.01 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.77 3iud s ASP 133 CO -0.05 0.34 0.40 0.00 0.21 0.00 0.00 175.17 176.07 3iud s ALA 134 N -0.78 3.86 0.18 5.23 0.00 -1.26 -5.04 121.76 123.95 3iud s ALA 134 Ca 0.16 -1.04 -0.32 0.00 0.00 0.00 0.00 51.96 50.77 3iud s ALA 134 Cb -0.13 -1.88 -0.11 0.00 0.00 0.00 0.00 23.12 21.00 3iud s ALA 134 CO 0.06 0.27 1.68 -2.14 0.00 0.00 0.00 175.76 175.63 3iud s PRO 135 N -3.79 4.16 0.00 0.00 0.02 -1.26 -1.90 135.00 132.23 3iud s PRO 135 Ca 0.36 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.89 3iud s PRO 135 Cb -0.10 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3iud s PRO 135 CO 0.30 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 3iud n GLY 136 N 3.93 0.53 3.72 0.52 0.00 -1.26 -5.02 105.19 107.61 3iud n GLY 136 Ca 0.15 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3iud n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iud s GLN 137 N -0.69 4.60 0.14 1.61 0.74 -0.80 -4.97 119.66 120.29 3iud s GLN 137 Ca 0.00 1.42 -0.08 0.00 0.05 0.00 0.00 55.36 56.75 3iud s GLN 137 Cb 0.00 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 3iud s GLN 137 CO 0.00 0.03 1.38 0.00 -0.55 0.00 0.00 175.29 176.15 3iud h ALA 138 N 6.43 0.46 -3.17 1.58 0.00 -1.95 -3.44 119.26 119.17 3iud h ALA 138 Ca -0.42 -0.58 -0.64 0.00 0.00 0.00 0.00 54.91 53.27 3iud h ALA 138 Cb 1.22 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.61 3iud h ALA 138 CO 0.74 0.71 -0.84 -1.01 0.00 0.00 0.00 179.25 178.85 3iud s HIS 139 N -3.79 2.55 0.68 0.00 3.76 -1.26 -5.12 115.29 112.10 3iud s HIS 139 Ca -0.09 -1.53 -0.16 0.00 -0.15 0.00 0.00 55.06 53.13 3iud s HIS 139 Cb 0.10 -1.77 0.01 0.00 1.11 0.00 0.00 32.58 32.02 3iud s HIS 139 CO 0.88 -0.76 1.19 0.45 -0.85 0.00 0.00 174.74 175.65 3iud s SER 140 N 1.36 4.63 -0.10 1.40 0.15 -1.26 -4.94 113.70 114.93 3iud s SER 140 Ca 0.04 2.32 0.17 0.00 0.70 0.00 0.00 55.95 59.17 3iud s SER 140 Cb -0.14 -2.59 0.61 0.00 -1.71 0.00 0.00 66.02 62.20 3iud s SER 140 CO -0.11 -1.97 1.52 -1.22 1.20 0.00 0.00 173.24 172.66 3iud n TYR 141 N -2.33 1.19 -0.24 3.44 4.01 -1.26 -4.66 117.16 117.31 3iud n TYR 141 Ca 0.13 -0.64 0.04 0.00 -0.16 0.00 0.00 57.90 57.28 3iud n TYR 141 Cb 0.50 -0.22 0.16 0.00 -0.31 0.00 0.00 39.34 39.47 3iud n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3iud h LYS 142 N 3.28 0.17 -0.71 -0.72 3.64 -1.94 -1.27 116.57 119.02 3iud h LYS 142 Ca 0.00 -0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.03 3iud h LYS 142 Cb 1.32 -0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.90 3iud h LYS 142 CO 0.19 0.11 0.32 0.66 -2.27 0.00 0.00 179.45 178.46 3iud n TYR 143 N -5.25 2.22 0.00 1.91 4.01 -1.26 -5.04 117.16 113.74 3iud n TYR 143 Ca 0.13 -1.62 0.00 0.00 -0.16 0.00 0.00 57.90 56.24 3iud n TYR 143 Cb 0.44 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 3iud n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iud n GLY 144 N -0.96 2.33 0.00 2.72 0.00 -0.48 -4.60 105.19 104.20 3iud n GLY 144 Ca 0.46 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3iud n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iud n SER 145 N 0.00 0.00 0.29 1.61 3.41 -1.26 -4.34 113.62 113.33 3iud n SER 145 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 3iud n SER 145 Cb 0.00 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 64.85 3iud n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iud h LEU 146 N 0.00 0.00 -1.89 1.04 3.38 -1.88 -1.77 115.31 114.19 3iud h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iud h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iud h LEU 146 CO 0.00 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 3iud n SER 147 N -3.84 2.45 -4.59 -0.43 3.41 -1.26 -3.98 113.62 105.38 3iud n SER 147 Ca -0.03 -1.70 -0.40 0.00 -0.26 0.00 0.00 58.87 56.48 3iud n SER 147 Cb 0.10 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3iud n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3iud n HIS 148 N 0.80 0.88 0.26 7.33 -0.00 -0.67 -4.77 115.22 119.06 3iud n HIS 148 Ca 0.10 0.53 0.15 0.00 -0.00 0.00 0.00 57.72 58.49 3iud n HIS 148 Cb 0.39 -2.18 0.65 0.00 -0.00 0.00 0.00 29.99 28.85 3iud n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3iud h THR 149 N 1.21 0.27 -3.43 3.57 1.35 -1.90 -3.43 112.91 110.56 3iud h THR 149 Ca -0.45 -0.69 -0.60 0.00 -0.55 0.00 0.00 66.41 64.13 3iud h THR 149 Cb 1.35 1.54 -0.10 0.00 -1.73 0.00 0.00 68.15 69.21 3iud h THR 149 CO 0.55 0.09 0.15 0.21 -0.25 0.00 0.00 175.52 176.27 3iud s ASN 150 N -5.90 6.67 0.14 5.36 2.47 -1.26 -4.98 114.94 117.45 3iud s ASN 150 Ca -0.00 0.81 -0.19 0.00 0.42 0.00 0.00 52.86 53.90 3iud s ASN 150 Cb 0.10 -2.35 0.02 0.00 -1.45 0.00 0.00 41.25 37.57 3iud s ASN 150 CO 0.57 -0.31 1.68 0.00 -3.72 0.00 0.00 177.10 175.32 3iud h ALA 151 N 7.59 0.13 -0.94 1.71 0.00 -1.99 -2.05 119.26 123.72 3iud h ALA 151 Ca -0.30 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3iud h ALA 151 Cb 1.14 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 3iud h ALA 151 CO 0.78 -0.50 0.60 0.00 0.00 0.00 0.00 179.25 180.13 3iud h ALA 152 N 1.20 1.55 -0.28 0.00 0.00 -1.97 0.10 119.26 119.86 3iud h ALA 152 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iud h ALA 152 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3iud h ALA 152 CO -0.30 0.27 0.07 1.15 0.00 0.00 0.00 179.25 180.44 3iud h THR 153 N 0.99 1.21 -0.25 0.00 2.02 -1.76 0.80 112.91 115.92 3iud h THR 153 Ca 0.43 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 3iud h THR 153 Cb 0.35 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3iud h THR 153 CO -0.19 0.23 0.14 0.03 0.37 0.00 0.00 175.52 176.10 3iud h ARG 154 N 0.29 0.34 -0.84 6.66 3.08 -0.70 -1.16 114.38 122.06 3iud h ARG 154 Ca 0.09 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.18 3iud h ARG 154 Cb 0.28 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3iud h ARG 154 CO 0.00 0.31 0.50 0.00 -1.07 0.00 0.00 179.97 179.70 3iud h ALA 155 N 1.02 1.18 -0.79 0.04 0.00 -0.65 0.39 119.26 120.44 3iud h ALA 155 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3iud h ALA 155 Cb 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3iud h ALA 155 CO -0.01 0.17 0.39 0.37 0.00 0.00 0.00 179.25 180.16 3iud h GLN 156 N 0.86 1.14 -0.55 0.00 4.15 -0.41 0.17 115.11 120.47 3iud h GLN 156 Ca 0.39 -0.16 -0.09 0.00 0.77 0.00 0.00 58.65 59.56 3iud h GLN 156 Cb 0.29 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3iud h GLN 156 CO -0.22 0.87 0.00 0.00 -1.93 0.00 0.00 178.83 177.56 3iud h ALA 157 N 1.20 0.74 -0.02 3.38 0.00 0.21 -1.38 119.26 123.39 3iud h ALA 157 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iud h ALA 157 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iud h ALA 157 CO -0.04 0.56 0.01 0.28 0.00 0.00 0.00 179.25 180.07 3iud h VAL 158 N 0.85 1.03 -0.61 0.00 2.07 0.22 -2.06 116.25 117.74 3iud h VAL 158 Ca 0.16 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.69 3iud h VAL 158 Cb 0.53 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3iud h VAL 158 CO 0.03 0.02 0.26 -0.08 0.02 0.00 0.00 177.57 177.82 3iud h GLU 159 N 0.00 0.45 -0.13 1.57 4.57 -0.49 -1.85 114.58 118.70 3iud h GLU 159 Ca 0.01 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3iud h GLU 159 Cb 0.02 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3iud h GLU 159 CO -0.00 0.30 0.07 1.25 -1.18 0.00 0.00 179.01 179.44 3iud h HIS 160 N 0.46 0.13 -0.57 0.92 2.76 -0.91 -1.81 115.15 116.14 3iud h HIS 160 Ca 0.30 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 3iud h HIS 160 Cb 0.34 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 3iud h HIS 160 CO -0.15 0.08 0.36 -0.91 -1.30 0.00 0.00 177.93 176.01 3iud h ASN 161 N 0.15 0.66 -0.29 3.26 2.35 -0.98 -1.29 115.58 119.44 3iud h ASN 161 Ca 0.05 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3iud h ASN 161 Cb 0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3iud h ASN 161 CO -0.03 0.49 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.08 3iud h LEU 162 N 0.78 0.68 -0.93 1.61 3.38 -0.91 -2.41 115.31 117.51 3iud h LEU 162 Ca 0.21 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3iud h LEU 162 Cb -0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3iud h LEU 162 CO -0.04 0.81 -0.19 -0.08 0.09 0.00 0.00 178.44 179.03 3iud h GLU 163 N 0.64 0.57 -0.39 1.13 4.81 -0.41 -2.04 114.58 118.89 3iud h GLU 163 Ca 0.11 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3iud h GLU 163 Cb 0.54 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3iud h GLU 163 CO 0.03 0.73 0.08 0.00 -0.73 0.00 0.00 179.01 179.12 3iud h ILE 165 N 0.57 1.28 -0.04 0.00 2.04 -0.96 -0.52 117.51 119.88 3iud h ILE 165 Ca 0.13 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 3iud h ILE 165 Cb 0.24 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3iud h ILE 165 CO -0.00 0.47 0.01 -0.33 0.00 0.00 0.00 178.15 178.30 3iud h GLU 166 N 0.59 0.07 -0.64 2.37 4.39 -0.59 -0.72 114.58 120.04 3iud h GLU 166 Ca 0.07 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3iud h GLU 166 Cb 0.82 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 3iud h GLU 166 CO 0.07 0.30 0.39 0.82 -1.16 0.00 0.00 179.01 179.43 3iud h ILE 167 N -0.17 1.18 -0.46 3.13 2.04 -1.05 -2.43 117.51 119.74 3iud h ILE 167 Ca 0.01 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 3iud h ILE 167 Cb 0.27 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3iud h ILE 167 CO 0.00 0.19 -0.21 1.23 0.00 0.00 0.00 178.15 179.36 3iud h GLY 168 N 0.91 1.01 1.83 5.37 0.00 -0.82 -2.65 103.07 108.73 3iud h GLY 168 Ca 0.23 -0.88 -0.06 0.00 0.00 0.00 0.00 47.33 46.62 3iud h GLY 168 CO -0.04 0.80 -0.21 0.50 0.00 0.00 0.00 176.54 177.58 3iud h LYS 169 N 0.81 0.20 -0.02 4.80 1.57 -0.68 0.74 116.57 124.00 3iud h LYS 169 Ca 0.11 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 3iud h LYS 169 Cb 0.77 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3iud h LYS 169 CO 0.06 0.42 -0.80 0.00 -0.57 0.00 0.00 179.45 178.56 3iud h ALA 170 N 1.60 0.61 -0.01 3.86 0.00 -1.27 -3.29 119.26 120.75 3iud h ALA 170 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3iud h ALA 170 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iud h ALA 170 CO 0.03 0.86 -0.53 0.44 0.00 0.00 0.00 179.25 180.05 3iud n ILE 171 N -3.73 0.00 0.00 0.00 -5.35 -1.01 -4.89 119.36 104.38 3iud n ILE 171 Ca -0.03 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3iud n ILE 171 Cb 0.75 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 39.30 3iud n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iud n GLY 172 N 1.44 1.20 3.79 3.28 0.00 -0.74 -4.64 105.19 109.52 3iud n GLY 172 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3iud n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iud s SER 173 N -2.00 4.80 -0.01 1.61 0.15 0.25 -4.81 113.70 113.70 3iud s SER 173 Ca 0.00 1.69 0.01 0.00 0.70 0.00 0.00 55.95 58.35 3iud s SER 173 Cb 0.00 -2.46 0.01 0.00 -1.71 0.00 0.00 66.02 61.86 3iud s SER 173 CO 0.00 -1.83 0.70 0.29 1.20 0.00 0.00 173.24 173.61 3iud n LYS 174 N -3.38 0.39 -3.50 5.44 4.76 -1.26 -4.52 118.16 116.09 3iud n LYS 174 Ca 0.08 -0.82 -0.13 0.00 -2.87 0.00 0.00 58.31 54.57 3iud n LYS 174 Cb 0.54 -0.60 -0.04 0.00 -1.84 0.00 0.00 35.03 33.09 3iud n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iud s ALA 175 N -0.24 -1.77 -0.10 7.82 0.00 -1.26 -1.99 121.76 124.23 3iud s ALA 175 Ca 0.01 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.09 3iud s ALA 175 Cb 0.01 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.33 3iud s ALA 175 CO 0.00 -0.53 -0.19 -1.17 0.00 0.00 0.00 175.76 173.86 3iud s LEU 176 N -1.88 1.92 -0.17 0.00 2.96 -0.22 0.09 118.68 121.38 3iud s LEU 176 Ca -0.02 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 3iud s LEU 176 Cb -0.01 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3iud s LEU 176 CO -0.02 0.09 0.03 -0.89 -1.32 0.00 0.00 176.35 174.25 3iud s THR 177 N 0.60 4.54 -0.28 3.68 2.01 0.19 -0.23 115.64 126.14 3iud s THR 177 Ca -0.14 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.74 3iud s THR 177 Cb -0.17 -3.03 0.06 0.00 0.01 0.00 0.00 72.50 69.37 3iud s THR 177 CO 0.04 0.48 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.71 3iud s VAL 178 N 0.32 2.63 -0.15 3.82 1.01 0.21 -3.23 120.40 125.01 3iud s VAL 178 Ca 0.01 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.48 3iud s VAL 178 Cb -0.13 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3iud s VAL 178 CO 0.01 -0.09 -0.14 0.86 0.00 0.00 0.00 175.10 175.74 3iud s TRP 179 N 1.18 2.16 0.24 5.22 -0.00 -1.26 -2.03 118.94 124.46 3iud s TRP 179 Ca -0.06 -1.22 0.11 0.00 -0.00 0.00 0.00 56.10 54.92 3iud s TRP 179 Cb -0.20 -1.59 -0.05 0.00 -0.00 0.00 0.00 33.47 31.64 3iud s TRP 179 CO -0.03 -0.67 -0.20 0.96 -0.00 0.00 0.00 176.95 177.01 3iud s ILE 180 N 1.49 2.32 -1.38 5.86 -4.36 -1.26 -4.71 121.20 119.16 3iud s ILE 180 Ca 0.05 -2.27 0.26 0.00 -0.26 0.00 0.00 60.65 58.42 3iud s ILE 180 Cb -0.13 -2.20 0.13 0.00 1.25 0.00 0.00 42.46 41.51 3iud s ILE 180 CO -0.11 -0.35 1.47 0.61 0.24 0.00 0.00 174.94 176.80 3iud n GLY 181 N -0.33 -0.91 2.91 6.27 0.00 -1.26 -4.95 105.19 106.91 3iud n GLY 181 Ca -0.08 -0.39 -0.50 0.00 0.00 0.00 0.00 46.02 45.06 3iud n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iud n ASP 182 N -1.06 0.17 0.00 1.61 9.92 -1.26 -4.08 116.55 121.85 3iud n ASP 182 Ca 0.09 0.96 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 3iud n ASP 182 Cb 0.34 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 3iud n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iud n GLY 183 N 1.59 -0.55 3.05 0.44 0.00 -1.26 -2.35 105.19 106.11 3iud n GLY 183 Ca 0.18 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 3iud n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iud s SER 184 N -4.00 0.54 0.00 1.61 1.04 0.11 -4.89 113.70 108.11 3iud s SER 184 Ca 0.00 -0.74 0.15 0.00 0.48 0.00 0.00 55.95 55.84 3iud s SER 184 Cb 0.00 0.12 0.06 0.00 0.10 0.00 0.00 66.02 66.30 3iud s SER 184 CO 0.00 -0.41 0.90 0.59 0.98 0.00 0.00 173.24 175.30 3iud n ASN 185 N 0.86 1.90 -3.81 7.02 4.13 -1.26 0.12 115.26 124.23 3iud n ASN 185 Ca -0.19 -1.45 -0.12 0.00 1.68 0.00 0.00 54.58 54.50 3iud n ASN 185 Cb 0.58 0.25 -0.12 0.00 -1.54 0.00 0.00 39.78 38.95 3iud n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3iud s PHE 186 N -1.57 -0.20 0.34 3.10 0.08 -1.26 -4.41 117.98 114.05 3iud s PHE 186 Ca 0.15 0.48 -0.29 0.00 0.12 0.00 0.00 56.93 57.40 3iud s PHE 186 Cb 0.13 0.07 -0.11 0.00 -0.57 0.00 0.00 43.02 42.53 3iud s PHE 186 CO 0.29 -0.11 1.50 -2.14 -0.10 0.00 0.00 175.22 174.66 3iud s PRO 187 N 0.03 4.15 0.00 0.24 0.02 -1.26 -1.86 135.00 136.33 3iud s PRO 187 Ca -0.01 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3iud s PRO 187 Cb -0.02 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.50 3iud s PRO 187 CO 0.00 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3iud n GLY 188 N 1.14 2.52 0.29 0.52 0.00 -1.26 -4.85 105.19 103.54 3iud n GLY 188 Ca 0.03 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.71 3iud n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iud h GLN 189 N 0.00 0.20 -6.29 1.61 4.15 -1.81 -3.41 115.11 109.57 3iud h GLN 189 Ca 0.00 -0.01 -0.61 0.00 0.77 0.00 0.00 58.65 58.80 3iud h GLN 189 Cb 0.00 -0.05 -0.14 0.00 0.21 0.00 0.00 27.48 27.51 3iud h GLN 189 CO 0.00 0.13 -0.75 -1.12 -1.93 0.00 0.00 178.83 175.17 3iud s SER 190 N -5.17 3.77 -0.35 -0.69 0.01 -1.26 -5.10 113.70 104.91 3iud s SER 190 Ca -0.13 -0.91 -0.08 0.00 1.31 0.00 0.00 55.95 56.15 3iud s SER 190 Cb 0.23 -0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.09 3iud s SER 190 CO 0.76 0.05 0.13 0.21 0.41 0.00 0.00 173.24 174.80 3iud s ASN 191 N -3.37 5.43 0.24 2.44 3.84 -1.26 -4.99 114.94 117.26 3iud s ASN 191 Ca 0.29 -1.12 -0.12 0.00 0.21 0.00 0.00 52.86 52.12 3iud s ASN 191 Cb -0.06 -1.91 0.32 0.00 -0.55 0.00 0.00 41.25 39.05 3iud s ASN 191 CO 0.15 -0.35 1.60 -0.26 -2.79 0.00 0.00 177.10 175.45 3iud h PHE 192 N 8.28 -0.45 0.25 0.43 0.04 -1.98 -1.32 116.94 122.18 3iud h PHE 192 Ca -0.24 0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 3iud h PHE 192 Cb 1.09 0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.56 3iud h PHE 192 CO 0.59 -0.34 -0.12 1.15 -0.60 0.00 0.00 178.31 178.98 3iud h THR 193 N -0.01 0.79 -0.43 -1.55 2.02 -1.99 -2.51 112.91 109.22 3iud h THR 193 Ca 0.37 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3iud h THR 193 Cb 0.57 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3iud h THR 193 CO -0.81 0.13 0.25 0.03 0.37 0.00 0.00 175.52 175.50 3iud h ARG 194 N -0.70 0.58 -0.10 6.66 3.08 -1.95 0.30 114.38 122.25 3iud h ARG 194 Ca -0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3iud h ARG 194 Cb 0.48 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3iud h ARG 194 CO 0.06 0.42 -0.01 0.00 -1.07 0.00 0.00 179.97 179.36 3iud h ALA 195 N 1.68 0.13 -0.67 0.04 0.00 -1.27 -1.95 119.26 117.22 3iud h ALA 195 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iud h ALA 195 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3iud h ALA 195 CO -0.03 -0.15 0.43 0.35 0.00 0.00 0.00 179.25 179.85 3iud h PHE 196 N -0.12 0.85 -0.65 0.00 3.57 -1.03 -0.12 116.94 119.43 3iud h PHE 196 Ca 0.03 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3iud h PHE 196 Cb 0.40 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3iud h PHE 196 CO 0.05 0.55 0.36 0.93 -2.23 0.00 0.00 178.31 177.96 3iud h GLU 197 N 0.90 0.65 -0.71 1.11 5.08 -0.85 0.20 114.58 120.96 3iud h GLU 197 Ca 0.24 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3iud h GLU 197 Cb -0.08 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 3iud h GLU 197 CO -0.05 0.43 0.22 0.00 -1.00 0.00 0.00 179.01 178.61 3iud h ARG 198 N 0.66 1.10 -0.74 2.33 3.08 -0.64 -1.05 114.38 119.14 3iud h ARG 198 Ca 0.29 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3iud h ARG 198 Cb 0.19 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3iud h ARG 198 CO -0.18 0.94 0.38 -0.92 -1.07 0.00 0.00 179.97 179.12 3iud h TYR 199 N 1.06 1.03 -0.39 3.04 5.03 0.56 -1.57 116.97 125.72 3iud h TYR 199 Ca 0.23 -0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.45 3iud h TYR 199 Cb 0.30 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 3iud h TYR 199 CO 0.02 0.74 0.01 -0.07 -1.32 0.00 0.00 178.16 177.55 3iud h LEU 200 N 1.02 0.67 -0.39 2.82 3.38 -0.18 -1.64 115.31 120.99 3iud h LEU 200 Ca 0.26 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3iud h LEU 200 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3iud h LEU 200 CO -0.04 0.80 0.26 -1.28 0.09 0.00 0.00 178.44 178.27 3iud h SER 201 N 0.51 0.44 -0.41 -0.43 0.87 -0.99 -0.32 113.55 113.23 3iud h SER 201 Ca 0.11 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3iud h SER 201 Cb 0.45 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3iud h SER 201 CO 0.02 0.32 0.18 0.00 -0.53 0.00 0.00 176.83 176.81 3iud h ALA 202 N 1.15 0.52 -0.12 6.23 0.00 -1.21 -2.52 119.26 123.30 3iud h ALA 202 Ca 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3iud h ALA 202 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3iud h ALA 202 CO -0.03 0.11 -0.12 0.52 0.00 0.00 0.00 179.25 179.72 3iud h MET 203 N 0.51 0.19 0.00 0.00 2.07 -1.05 -1.29 114.93 115.37 3iud h MET 203 Ca 0.14 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.70 3iud h MET 203 Cb 0.16 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 29.86 3iud h MET 203 CO -0.01 0.33 -0.10 0.00 1.07 0.00 0.00 176.91 178.19 3iud h ALA 204 N 1.69 1.60 0.02 6.32 0.00 -0.61 -0.59 119.26 127.70 3iud h ALA 204 Ca 0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3iud h ALA 204 Cb 0.34 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iud h ALA 204 CO 0.02 0.13 -0.68 0.93 0.00 0.00 0.00 179.25 179.65 3iud h GLU 205 N 0.00 0.42 -0.87 0.00 5.08 -1.14 -2.96 114.58 115.11 3iud h GLU 205 Ca -0.00 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3iud h GLU 205 Cb 0.21 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3iud h GLU 205 CO 0.01 1.15 0.52 0.82 -1.00 0.00 0.00 179.01 180.50 3iud h ILE 206 N -0.10 1.24 -0.70 3.13 2.04 -1.24 -1.85 117.51 120.02 3iud h ILE 206 Ca -0.09 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.26 3iud h ILE 206 Cb 1.40 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3iud h ILE 206 CO 0.13 0.25 0.47 0.22 0.00 0.00 0.00 178.15 179.22 3iud h TYR 207 N 1.19 0.84 0.00 1.37 5.03 -1.12 -1.53 116.97 122.75 3iud h TYR 207 Ca 0.31 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.61 3iud h TYR 207 Cb -0.04 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 37.95 3iud h TYR 207 CO 0.01 0.50 -0.15 0.87 -1.32 0.00 0.00 178.16 178.07 3iud h LYS 208 N 0.88 0.00 -0.51 1.82 1.57 -1.16 -2.42 116.57 116.75 3iud h LYS 208 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3iud h LYS 208 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3iud h LYS 208 CO -0.07 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 3iud n GLY 209 N -0.68 1.37 3.68 3.86 0.00 -0.58 -4.90 105.19 107.95 3iud n GLY 209 Ca -0.02 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 3iud n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iud s LEU 210 N -1.15 4.21 1.19 0.99 1.43 -0.91 -4.99 118.68 119.45 3iud s LEU 210 Ca 0.30 1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 54.25 3iud s LEU 210 Cb 0.17 -3.00 0.23 0.00 0.03 0.00 0.00 46.19 43.62 3iud s LEU 210 CO 0.18 -0.23 0.56 -2.65 0.23 0.00 0.00 176.35 174.44 3iud n PRO 211 N 4.58 -2.45 0.24 1.29 -0.02 -1.26 -4.86 135.00 132.52 3iud n PRO 211 Ca -0.01 -0.70 0.11 0.00 -2.02 0.00 0.00 63.50 60.89 3iud n PRO 211 Cb 0.50 -1.92 0.60 0.00 -0.02 0.00 0.00 33.50 32.67 3iud n PRO 211 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iud h ASP 212 N -2.58 0.00 -0.31 2.55 3.32 -2.00 -2.97 116.42 114.44 3iud h ASP 212 Ca -0.56 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 3iud h ASP 212 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 3iud h ASP 212 CO 0.42 0.18 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 3iud n ASP 213 N -3.56 4.05 -4.92 6.45 5.75 -1.26 -5.00 116.55 118.05 3iud n ASP 213 Ca -0.01 -3.05 -0.21 0.00 -0.01 0.00 0.00 54.79 51.51 3iud n ASP 213 Cb 0.32 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 3iud n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3iud s TRP 214 N -2.85 3.22 0.03 2.11 0.52 -1.12 -4.89 118.94 115.96 3iud s TRP 214 Ca 0.44 -0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.48 3iud s TRP 214 Cb 0.36 -1.64 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 3iud s TRP 214 CO 0.09 0.34 -0.12 0.15 0.02 0.00 0.00 176.95 177.43 3iud s LYS 215 N -3.98 0.84 -0.20 4.98 1.02 -0.84 -4.83 119.74 116.72 3iud s LYS 215 Ca 0.37 -0.68 -0.05 0.00 0.02 0.00 0.00 55.97 55.63 3iud s LYS 215 Cb -0.08 -0.81 -0.02 0.00 -0.52 0.00 0.00 37.83 36.40 3iud s LYS 215 CO 0.28 0.20 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.73 3iud s LEU 216 N -1.05 3.21 -0.21 3.17 2.96 0.10 -1.06 118.68 125.80 3iud s LEU 216 Ca 0.00 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 3iud s LEU 216 Cb -0.07 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3iud s LEU 216 CO 0.01 0.05 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.68 3iud s PHE 217 N 1.06 2.94 0.05 5.38 0.08 0.68 -0.87 117.98 127.30 3iud s PHE 217 Ca 0.02 -0.96 -0.06 0.00 0.12 0.00 0.00 56.93 56.04 3iud s PHE 217 Cb -0.14 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 3iud s PHE 217 CO 0.01 -0.55 0.30 -1.54 -0.10 0.00 0.00 175.22 173.35 3iud s SER 218 N 1.42 6.50 -0.12 1.36 1.04 -0.93 0.66 113.70 123.63 3iud s SER 218 Ca 0.05 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.05 3iud s SER 218 Cb -0.14 -2.09 0.02 0.00 0.10 0.00 0.00 66.02 63.91 3iud s SER 218 CO -0.04 0.19 -0.11 -0.70 0.98 0.00 0.00 173.24 173.57 3iud s GLU 219 N -2.03 1.88 0.47 4.02 2.12 -0.86 -1.97 118.70 122.33 3iud s GLU 219 Ca 0.32 -0.40 -0.10 0.00 0.36 0.00 0.00 54.97 55.15 3iud s GLU 219 Cb -0.13 -1.79 -0.05 0.00 0.26 0.00 0.00 34.13 32.42 3iud s GLU 219 CO 0.19 -0.22 0.84 -3.38 -0.54 0.00 0.00 175.26 172.15 3iud s HIS 220 N 1.50 3.52 -0.29 5.30 -3.43 -1.26 -4.71 115.29 115.91 3iud s HIS 220 Ca 0.03 1.07 -0.14 0.00 -0.80 0.00 0.00 55.06 55.22 3iud s HIS 220 Cb -0.13 -2.49 0.11 0.00 -1.43 0.00 0.00 32.58 28.64 3iud s HIS 220 CO -0.08 -0.27 0.71 0.21 -2.00 0.00 0.00 174.74 173.31 3iud s LYS 221 N -4.31 0.62 0.33 -0.38 2.20 0.01 -4.76 119.74 113.45 3iud s LYS 221 Ca 0.52 1.25 0.02 0.00 -0.36 0.00 0.00 55.97 57.40 3iud s LYS 221 Cb -0.10 0.43 0.59 0.00 -1.51 0.00 0.00 37.83 37.24 3iud s LYS 221 CO 0.38 -0.16 1.97 1.98 -0.36 0.00 0.00 175.35 179.16 3iud h MET 222 N 7.34 0.91 -2.27 4.03 1.85 -1.32 -3.34 114.93 122.12 3iud h MET 222 Ca -0.25 -0.05 0.20 0.00 -0.61 0.00 0.00 59.70 58.98 3iud h MET 222 Cb 1.17 -0.20 -0.07 0.00 0.43 0.00 0.00 31.60 32.93 3iud h MET 222 CO 0.14 0.60 0.57 1.52 -0.40 0.00 0.00 176.91 179.33 3iud s TYR 223 N -5.80 -0.05 0.07 1.39 1.13 -1.26 -4.49 117.35 108.33 3iud s TYR 223 Ca -0.11 -0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 3iud s TYR 223 Cb 0.19 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.69 3iud s TYR 223 CO 0.78 -0.78 0.00 -1.91 -2.51 0.00 0.00 175.55 171.13 3iud n GLU 224 N -0.55 -2.21 0.14 -3.49 2.13 -1.26 -4.79 120.64 110.62 3iud n GLU 224 Ca -0.05 1.87 0.13 0.00 0.66 0.00 0.00 57.16 59.76 3iud n GLU 224 Cb 0.61 -1.83 0.50 0.00 0.27 0.00 0.00 31.44 30.98 3iud n GLU 224 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3iud h PRO 225 N 1.73 0.00 -6.31 5.31 0.13 -1.93 -3.48 132.00 127.44 3iud h PRO 225 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 3iud h PRO 225 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3iud h PRO 225 CO 0.00 0.00 0.29 0.00 -0.23 0.00 0.00 178.00 178.06 3iud s ALA 226 N -3.32 3.22 -1.93 -0.56 0.00 -1.26 -4.97 121.76 112.93 3iud s ALA 226 Ca 0.05 0.42 0.16 0.00 0.00 0.00 0.00 51.96 52.59 3iud s ALA 226 Cb 0.10 -3.22 0.18 0.00 0.00 0.00 0.00 23.12 20.17 3iud s ALA 226 CO 0.44 -0.18 1.07 1.19 0.00 0.00 0.00 175.76 178.28 3iud n PHE 227 N 3.81 0.11 -0.02 0.00 3.72 -1.18 -4.54 117.46 119.35 3iud n PHE 227 Ca 0.04 -0.08 -0.06 0.00 -0.05 0.00 0.00 57.45 57.30 3iud n PHE 227 Cb 0.51 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 3iud n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3iud n TYR 228 N 0.93 0.00 -3.84 1.38 9.36 0.12 -4.92 117.16 120.19 3iud n TYR 228 Ca 0.11 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.21 3iud n TYR 228 Cb 0.42 -0.21 -0.10 0.00 -0.63 0.00 0.00 39.34 38.82 3iud n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3iud s SER 229 N -5.68 -0.05 -0.05 2.98 1.04 -0.56 -4.97 113.70 106.41 3iud s SER 229 Ca -0.09 -0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.30 3iud s SER 229 Cb 0.03 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 3iud s SER 229 CO 0.11 -0.37 -0.20 -0.89 0.98 0.00 0.00 173.24 172.88 3iud s THR 230 N -1.26 1.66 0.15 2.02 2.01 -1.26 0.07 115.64 119.04 3iud s THR 230 Ca -0.13 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 60.85 3iud s THR 230 Cb -0.07 -1.42 0.03 0.00 0.01 0.00 0.00 72.50 71.06 3iud s THR 230 CO 0.02 0.47 1.71 0.58 -0.69 0.00 0.00 174.62 176.72 3iud h VAL 231 N 5.18 0.78 -2.94 3.82 2.07 -1.81 -2.97 116.25 120.38 3iud h VAL 231 Ca -0.32 -0.04 -0.73 0.00 0.82 0.00 0.00 66.70 66.43 3iud h VAL 231 Cb 1.17 0.65 -0.34 0.00 -1.52 0.00 0.00 31.29 31.26 3iud h VAL 231 CO 0.47 0.02 0.15 0.52 0.02 0.00 0.00 177.57 178.76 3iud n VAL 232 N -5.15 3.83 0.07 2.57 0.31 -1.26 -4.87 118.33 113.84 3iud n VAL 232 Ca 0.01 -5.46 -0.12 0.00 -0.01 0.00 0.00 64.34 58.77 3iud n VAL 232 Cb 0.16 -2.23 -0.13 0.00 -0.91 0.00 0.00 33.84 30.73 3iud n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3iud h GLN 233 N 5.44 0.14 0.00 5.55 -0.00 -1.65 0.07 115.11 124.66 3iud h GLN 233 Ca 0.19 -0.23 -0.35 0.00 -0.00 0.00 0.00 58.65 58.25 3iud h GLN 233 Cb 0.71 0.09 -0.09 0.00 -0.00 0.00 0.00 27.48 28.19 3iud h GLN 233 CO 1.04 1.08 -0.26 -0.40 -0.00 0.00 0.00 178.83 180.28 3iud n ASP 234 N -3.42 -1.14 0.27 0.06 5.68 -1.26 -1.99 116.55 114.75 3iud n ASP 234 Ca -0.06 -3.01 0.15 0.00 -0.50 0.00 0.00 54.79 51.38 3iud n ASP 234 Cb 0.99 2.24 0.73 0.00 -1.14 0.00 0.00 41.12 43.95 3iud n ASP 234 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3iud h TRP 235 N 2.04 0.00 0.66 2.11 5.08 -1.94 -1.75 115.95 122.15 3iud h TRP 235 Ca -0.26 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.68 3iud h TRP 235 Cb 1.20 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.36 3iud h TRP 235 CO 0.00 0.08 -0.32 0.78 -1.28 0.00 0.00 178.44 177.71 3iud h GLY 236 N 1.39 -0.93 0.98 11.11 0.00 -1.99 0.28 103.07 113.91 3iud h GLY 236 Ca -0.00 0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.69 3iud h GLY 236 CO 0.01 -0.34 0.66 -0.84 0.00 0.00 0.00 176.54 176.04 3iud h THR 237 N -1.05 1.23 -0.48 4.70 2.02 -1.91 -1.57 112.91 115.84 3iud h THR 237 Ca -0.09 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.64 3iud h THR 237 Cb 0.72 -0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3iud h THR 237 CO 0.15 0.24 0.31 -1.13 0.37 0.00 0.00 175.52 175.46 3iud h ASN 238 N 1.33 0.53 -0.66 4.18 -0.73 -1.18 0.35 115.58 119.40 3iud h ASN 238 Ca 0.38 -0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.55 3iud h ASN 238 Cb -0.11 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 3iud h ASN 238 CO -0.09 0.38 0.44 0.22 -0.37 0.00 0.00 177.43 178.00 3iud h TYR 239 N 0.63 0.83 -0.94 0.67 3.20 0.26 -0.12 116.97 121.50 3iud h TYR 239 Ca 0.18 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.10 3iud h TYR 239 Cb -0.04 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 37.89 3iud h TYR 239 CO -0.05 0.52 0.62 -0.07 -1.64 0.00 0.00 178.16 177.54 3iud h LEU 240 N 0.89 1.05 0.54 2.82 3.38 -0.55 -0.14 115.31 123.30 3iud h LEU 240 Ca 0.24 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3iud h LEU 240 Cb -0.10 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.40 3iud h LEU 240 CO -0.05 0.74 -0.26 0.40 0.09 0.00 0.00 178.44 179.36 3iud h ILE 241 N 1.23 0.46 -0.64 1.22 2.04 0.43 -1.58 117.51 120.67 3iud h ILE 241 Ca 0.36 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 3iud h ILE 241 Cb -0.06 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3iud h ILE 241 CO -0.10 0.02 0.38 0.00 0.00 0.00 0.00 178.15 178.45 3iud h ALA 242 N -0.35 1.46 0.00 1.87 0.00 -0.80 0.39 119.26 121.84 3iud h ALA 242 Ca -0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3iud h ALA 242 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3iud h ALA 242 CO 0.12 0.46 -0.53 0.37 0.00 0.00 0.00 179.25 179.67 3iud h GLN 243 N 0.89 0.00 0.16 0.00 5.75 -0.96 -2.73 115.11 118.22 3iud h GLN 243 Ca 0.23 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.51 3iud h GLN 243 Cb -0.03 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.55 3iud h GLN 243 CO -0.04 0.53 -0.97 1.15 -2.65 0.00 0.00 178.83 176.85 3iud h THR 244 N 0.00 1.44 -0.05 2.39 2.02 -0.67 -3.37 112.91 114.67 3iud h THR 244 Ca -0.01 -2.56 -0.01 0.00 0.77 0.00 0.00 66.41 64.60 3iud h THR 244 Cb 1.10 3.15 -0.00 0.00 -1.74 0.00 0.00 68.15 70.66 3iud h THR 244 CO 0.07 0.74 0.00 -0.07 0.37 0.00 0.00 175.52 176.62 3iud h LEU 245 N -0.27 0.09 0.00 2.58 3.38 -0.98 -3.50 115.31 116.61 3iud h LEU 245 Ca -0.17 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3iud h LEU 245 Cb 1.75 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3iud h LEU 245 CO 0.17 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.69 3iud n GLY 246 N -0.27 0.26 0.31 0.83 0.00 -1.03 -4.92 105.19 100.37 3iud n GLY 246 Ca -0.07 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.23 3iud n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iud h PRO 247 N 5.45 0.55 -0.00 1.61 0.11 -1.93 -2.28 132.00 135.50 3iud h PRO 247 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3iud h PRO 247 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3iud h PRO 247 CO 0.00 0.36 -0.02 1.63 -0.21 0.00 0.00 178.00 179.76 3iud n LYS 248 N -4.47 1.09 -3.70 1.05 5.02 -1.26 -4.75 118.16 111.14 3iud n LYS 248 Ca 0.03 -0.31 -0.37 0.00 -2.02 0.00 0.00 58.31 55.64 3iud n LYS 248 Cb 0.06 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 3iud n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iud s ALA 249 N -2.13 3.26 0.39 7.82 0.00 -0.86 0.02 121.76 130.27 3iud s ALA 249 Ca 0.40 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3iud s ALA 249 Cb 0.21 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 3iud s ALA 249 CO 0.39 -0.60 0.09 -0.65 0.00 0.00 0.00 175.76 174.99 3iud s GLN 250 N 1.64 1.86 -0.08 0.00 -0.21 -0.05 -4.69 119.66 118.12 3iud s GLN 250 Ca 0.06 -2.11 -0.03 0.00 0.02 0.00 0.00 55.36 53.30 3iud s GLN 250 Cb -0.16 -0.79 -0.04 0.00 1.00 0.00 0.00 33.01 33.03 3iud s GLN 250 CO 0.06 -0.37 0.06 0.00 -2.12 0.00 0.00 175.29 172.92 3iud s LEU 252 N -1.09 3.22 -0.34 0.00 1.43 -0.83 0.88 118.68 121.95 3iud s LEU 252 Ca 0.16 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 3iud s LEU 252 Cb -0.12 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.37 3iud s LEU 252 CO 0.05 0.20 0.12 -0.69 0.23 0.00 0.00 176.35 176.26 3iud s VAL 253 N 0.17 4.00 -0.39 -1.59 1.01 -0.74 -4.22 120.40 118.64 3iud s VAL 253 Ca -0.02 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 3iud s VAL 253 Cb -0.14 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3iud s VAL 253 CO 0.03 -0.13 0.39 -0.62 0.00 0.00 0.00 175.10 174.77 3iud s ASP 254 N 1.46 6.18 0.16 3.32 -1.08 -1.26 -1.51 116.67 123.93 3iud s ASP 254 Ca 0.00 -0.56 -0.10 0.00 -0.52 0.00 0.00 52.55 51.37 3iud s ASP 254 Cb -0.19 -2.21 0.18 0.00 -1.46 0.00 0.00 42.92 39.25 3iud s ASP 254 CO 0.04 -0.48 1.00 -0.11 0.52 0.00 0.00 175.17 176.14 3iud n LEU 255 N 5.47 -0.38 -0.90 -1.34 -0.00 -1.11 -0.60 117.00 118.14 3iud n LEU 255 Ca -0.08 1.12 0.03 0.00 -0.00 0.00 0.00 56.01 57.08 3iud n LEU 255 Cb 0.48 -0.27 0.15 0.00 -0.00 0.00 0.00 43.42 43.77 3iud n LEU 255 CO 0.43 -1.02 0.52 0.61 -0.00 0.00 0.00 177.39 177.94 3iud n GLY 256 N -1.33 1.58 2.10 -3.96 0.00 -1.26 -4.23 105.19 98.10 3iud n GLY 256 Ca 0.07 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 3iud n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iud n HIS 257 N 0.27 2.83 -4.33 1.61 8.25 0.23 -2.94 115.22 121.14 3iud n HIS 257 Ca 0.10 -2.09 -0.22 0.00 -0.26 0.00 0.00 57.72 55.26 3iud n HIS 257 Cb 0.51 -0.98 -0.11 0.00 1.12 0.00 0.00 29.99 30.53 3iud n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3iud s HIS 258 N -3.42 1.83 0.77 4.41 3.76 -1.26 -3.05 115.29 118.33 3iud s HIS 258 Ca 0.57 -0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 54.87 3iud s HIS 258 Cb 0.47 -0.92 0.06 0.00 1.11 0.00 0.00 32.58 33.31 3iud s HIS 258 CO 0.07 0.33 1.22 0.00 -0.85 0.00 0.00 174.74 175.51 3iud s ALA 259 N -1.99 1.97 0.29 -1.40 0.00 -1.26 -4.89 121.76 114.48 3iud s ALA 259 Ca 0.15 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 3iud s ALA 259 Cb -0.06 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.43 3iud s ALA 259 CO 0.07 -2.11 1.28 -2.30 0.00 0.00 0.00 175.76 172.69 3iud n PRO 260 N -2.97 1.92 -0.87 0.00 -0.02 -1.26 -2.38 135.00 129.43 3iud n PRO 260 Ca 0.14 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3iud n PRO 260 Cb 0.50 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3iud n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3iud n ASN 261 N 1.39 -2.03 -4.75 2.55 3.02 -1.26 -4.99 115.26 109.19 3iud n ASN 261 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 3iud n ASN 261 Cb 0.33 -1.54 -0.01 0.00 -0.61 0.00 0.00 39.78 37.95 3iud n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3iud n THR 262 N -2.24 1.47 -2.68 3.41 -1.04 -1.00 -4.90 114.28 107.30 3iud n THR 262 Ca 0.00 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 3iud n THR 262 Cb 0.11 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 66.69 3iud n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3iud s ASN 263 N 0.18 6.35 0.12 8.00 3.84 -1.26 -4.85 114.94 127.32 3iud s ASN 263 Ca 0.59 -1.14 -0.13 0.00 0.21 0.00 0.00 52.86 52.39 3iud s ASN 263 Cb -0.51 -2.51 -0.04 0.00 -0.55 0.00 0.00 41.25 37.65 3iud s ASN 263 CO 0.56 -1.53 1.50 0.40 -2.79 0.00 0.00 177.10 175.24 3iud h ILE 264 N 6.23 1.28 -0.34 -5.21 2.04 -1.97 -3.12 117.51 116.42 3iud h ILE 264 Ca -0.06 -1.32 0.05 0.00 1.00 0.00 0.00 64.86 64.53 3iud h ILE 264 Cb 1.04 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3iud h ILE 264 CO 1.28 0.44 0.23 1.05 0.00 0.00 0.00 178.15 181.16 3iud h GLU 265 N 0.60 0.23 -0.45 2.37 9.09 -1.91 -0.92 114.58 123.60 3iud h GLU 265 Ca 0.08 -0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.37 3iud h GLU 265 Cb 0.74 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.78 3iud h GLU 265 CO 0.06 0.15 -0.17 1.98 0.05 0.00 0.00 179.01 181.08 3iud h MET 266 N 0.24 0.86 -0.66 1.06 4.05 -1.95 -2.03 114.93 116.50 3iud h MET 266 Ca 0.15 -0.33 0.01 0.00 -0.28 0.00 0.00 59.70 59.26 3iud h MET 266 Cb 0.30 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 3iud h MET 266 CO -0.03 0.97 0.43 0.82 0.23 0.00 0.00 176.91 179.33 3iud h ILE 267 N 0.76 1.14 0.22 1.77 2.04 -1.20 0.22 117.51 122.46 3iud h ILE 267 Ca 0.11 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3iud h ILE 267 Cb 0.70 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3iud h ILE 267 CO 0.05 0.16 -0.24 0.58 0.00 0.00 0.00 178.15 178.70 3iud h VAL 268 N 0.87 0.48 -0.56 1.67 2.07 -1.11 -0.13 116.25 119.53 3iud h VAL 268 Ca 0.25 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.85 3iud h VAL 268 Cb -0.07 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 3iud h VAL 268 CO -0.07 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.73 3iud h ALA 269 N 0.18 0.71 -0.35 1.67 0.00 -0.86 -0.01 119.26 120.60 3iud h ALA 269 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3iud h ALA 269 Cb 0.48 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3iud h ALA 269 CO -0.07 -0.19 0.19 0.00 0.00 0.00 0.00 179.25 179.18 3iud h ARG 270 N 0.40 0.38 -0.20 0.00 2.47 -0.04 0.61 114.38 117.99 3iud h ARG 270 Ca 0.28 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.90 3iud h ARG 270 Cb 0.32 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3iud h ARG 270 CO -0.27 0.25 -0.20 -0.07 0.56 0.00 0.00 179.97 180.23 3iud h LEU 271 N 0.39 0.35 -0.01 3.04 3.38 -0.44 -2.79 115.31 119.23 3iud h LEU 271 Ca 0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3iud h LEU 271 Cb 0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3iud h LEU 271 CO -0.09 0.57 -0.00 0.40 0.09 0.00 0.00 178.44 179.42 3iud h ILE 272 N 0.33 1.25 -0.82 1.22 2.04 -0.43 0.67 117.51 121.78 3iud h ILE 272 Ca 0.06 -0.75 0.22 0.00 1.00 0.00 0.00 64.86 65.38 3iud h ILE 272 Cb 0.55 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 3iud h ILE 272 CO 0.04 0.20 0.57 -0.61 0.00 0.00 0.00 178.15 178.35 3iud h GLN 273 N -0.29 0.11 -0.33 2.37 4.15 -0.66 -0.61 115.11 119.84 3iud h GLN 273 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3iud h GLN 273 Cb 0.32 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 3iud h GLN 273 CO 0.00 0.07 0.00 1.19 -1.93 0.00 0.00 178.83 178.16 3iud n PHE 274 N -4.36 1.22 -3.79 3.99 3.72 -1.07 -4.98 117.46 112.18 3iud n PHE 274 Ca 0.17 -0.85 -0.24 0.00 -0.05 0.00 0.00 57.45 56.47 3iud n PHE 274 Cb 0.81 -0.36 0.02 0.00 -0.94 0.00 0.00 39.48 39.01 3iud n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iud n GLY 275 N -0.26 -0.33 0.74 1.37 0.00 -0.24 -4.90 105.19 101.57 3iud n GLY 275 Ca 0.23 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.42 3iud n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iud n LYS 276 N -4.39 0.29 -3.11 1.61 4.76 0.18 -4.97 118.16 112.53 3iud n LYS 276 Ca -0.21 -1.68 -0.45 0.00 -2.87 0.00 0.00 58.31 53.10 3iud n LYS 276 Cb 0.64 -0.57 -0.02 0.00 -1.84 0.00 0.00 35.03 33.24 3iud n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3iud s LEU 277 N -0.63 5.75 0.19 -0.35 2.96 -1.19 -0.58 118.68 124.83 3iud s LEU 277 Ca 0.17 -2.62 -0.11 0.00 -0.22 0.00 0.00 54.13 51.34 3iud s LEU 277 Cb 0.18 -2.32 0.18 0.00 0.50 0.00 0.00 46.19 44.73 3iud s LEU 277 CO -0.05 -0.75 1.81 1.23 -1.32 0.00 0.00 176.35 177.27 3iud h GLY 278 N 8.98 0.86 0.00 7.98 0.00 0.22 -3.43 103.07 117.67 3iud h GLY 278 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3iud h GLY 278 CO 1.01 0.17 0.00 0.61 0.00 0.00 0.00 176.54 178.33 3iud n GLY 279 N -1.27 -0.29 3.42 4.60 0.00 -1.06 -0.54 105.19 110.05 3iud n GLY 279 Ca 0.06 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 3iud n GLY 279 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3iud s PHE 280 N -2.00 2.51 -0.37 1.61 2.19 -1.24 -1.79 117.98 118.88 3iud s PHE 280 Ca 0.00 -0.29 0.01 0.00 0.33 0.00 0.00 56.93 56.98 3iud s PHE 280 Cb 0.00 -1.47 0.10 0.00 -1.31 0.00 0.00 43.02 40.35 3iud s PHE 280 CO 0.00 0.20 0.11 -1.01 1.83 0.00 0.00 175.22 176.35 3iud s HIS 281 N -0.85 3.69 0.56 10.12 3.76 -0.57 -0.57 115.29 131.43 3iud s HIS 281 Ca 0.13 -2.78 -0.17 0.00 -0.15 0.00 0.00 55.06 52.09 3iud s HIS 281 Cb -0.10 -3.05 -0.05 0.00 1.11 0.00 0.00 32.58 30.49 3iud s HIS 281 CO 0.04 -0.96 1.05 -0.06 -0.85 0.00 0.00 174.74 173.96 3iud s PHE 282 N 0.98 3.02 -3.94 1.40 0.08 0.33 -2.75 117.98 117.10 3iud s PHE 282 Ca 0.10 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.68 3iud s PHE 282 Cb -0.21 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 3iud s PHE 282 CO -0.06 -0.99 0.00 0.27 -0.10 0.00 0.00 175.22 174.33 3iud n ASN 283 N -1.69 0.00 -4.23 1.36 0.23 -1.26 -1.24 115.26 108.43 3iud n ASN 283 Ca 0.09 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.01 3iud n ASN 283 Cb 0.53 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.13 3iud n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3iud s ASP 284 N -1.68 0.48 0.21 0.53 -1.08 0.23 -4.48 116.67 110.88 3iud s ASP 284 Ca 0.00 -1.37 -0.23 0.00 -0.52 0.00 0.00 52.55 50.43 3iud s ASP 284 Cb 0.00 0.31 0.04 0.00 -1.46 0.00 0.00 42.92 41.81 3iud s ASP 284 CO 0.00 -0.80 0.76 -0.94 0.52 0.00 0.00 175.17 174.72 3iud s SER 285 N -3.20 -0.31 0.00 -0.34 1.04 -1.26 -1.25 113.70 108.38 3iud s SER 285 Ca 0.37 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3iud s SER 285 Cb 0.07 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3iud s SER 285 CO 0.12 -1.13 0.00 1.17 0.98 0.00 0.00 173.24 174.38 3iud n LYS 286 N -0.43 0.66 -0.06 4.02 4.81 -1.26 -4.74 118.16 121.16 3iud n LYS 286 Ca -0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.26 3iud n LYS 286 Cb 0.61 -0.70 -0.04 0.00 0.02 0.00 0.00 35.03 34.91 3iud n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3iud n TYR 287 N -1.56 0.00 -0.78 5.64 4.01 -1.26 -5.08 117.16 118.12 3iud n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3iud n TYR 287 Cb 0.20 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 3iud n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iud n GLY 288 N 2.49 3.99 2.97 2.72 0.00 -1.26 -4.91 105.19 111.19 3iud n GLY 288 Ca -0.22 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3iud n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iud n ASP 289 N 0.00 3.12 0.24 1.61 2.03 -1.15 -4.61 116.55 117.79 3iud n ASP 289 Ca 0.00 -2.75 0.14 0.00 0.52 0.00 0.00 54.79 52.70 3iud n ASP 289 Cb 0.00 -1.36 0.42 0.00 -0.72 0.00 0.00 41.12 39.46 3iud n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3iud h ASP 290 N 7.17 0.00 -6.44 1.67 3.32 -1.82 -3.48 116.42 116.85 3iud h ASP 290 Ca 0.48 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 57.03 3iud h ASP 290 Cb 0.67 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 3iud h ASP 290 CO 1.91 0.06 -0.82 0.47 -1.72 0.00 0.00 179.24 179.14 3iud n ASP 291 N -3.14 -2.89 -4.90 6.45 8.00 -1.24 -4.78 116.55 114.05 3iud n ASP 291 Ca 0.02 -0.90 -0.28 0.00 0.71 0.00 0.00 54.79 54.34 3iud n ASP 291 Cb 0.43 -3.42 0.03 0.00 -0.02 0.00 0.00 41.12 38.14 3iud n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3iud s LEU 292 N -7.12 3.16 0.11 0.64 1.43 -0.38 -1.68 118.68 114.84 3iud s LEU 292 Ca 0.45 0.89 -0.36 0.00 -1.03 0.00 0.00 54.13 54.08 3iud s LEU 292 Cb -0.23 -3.73 -0.15 0.00 0.03 0.00 0.00 46.19 42.11 3iud s LEU 292 CO 0.87 -1.10 1.45 0.47 0.23 0.00 0.00 176.35 178.26 3iud n ASP 293 N -2.70 2.28 -4.59 2.29 9.92 -1.26 -0.60 116.55 121.89 3iud n ASP 293 Ca 0.05 1.10 -0.48 0.00 -0.53 0.00 0.00 54.79 54.93 3iud n ASP 293 Cb 0.57 -1.29 -0.04 0.00 -0.64 0.00 0.00 41.12 39.72 3iud n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3iud n ALA 294 N 2.95 -0.44 -0.85 2.24 0.00 -1.26 -1.53 120.51 121.62 3iud n ALA 294 Ca 0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3iud n ALA 294 Cb 0.23 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3iud n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iud n GLY 295 N 1.99 0.54 0.18 0.00 0.00 -1.26 -4.75 105.19 101.89 3iud n GLY 295 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3iud n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iud h ALA 296 N 0.00 0.95 0.00 4.61 0.00 -1.63 -3.32 119.26 119.87 3iud h ALA 296 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 3iud h ALA 296 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iud h ALA 296 CO 0.00 0.53 -1.69 -0.89 0.00 0.00 0.00 179.25 177.20 3iud n ILE 297 N -3.52 0.87 -3.66 0.00 2.08 -1.26 -4.92 119.36 108.94 3iud n ILE 297 Ca -0.00 -0.16 -0.28 0.00 0.56 0.00 0.00 62.75 62.87 3iud n ILE 297 Cb 0.55 -1.73 -0.11 0.00 -0.75 0.00 0.00 39.64 37.60 3iud n ILE 297 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3iud s GLU 298 N -2.29 1.67 0.41 0.38 2.02 -1.26 -4.97 118.70 114.65 3iud s GLU 298 Ca -0.20 -2.67 0.08 0.00 0.02 0.00 0.00 54.97 52.20 3iud s GLU 298 Cb 0.07 -2.44 0.85 0.00 0.10 0.00 0.00 34.13 32.71 3iud s GLU 298 CO 0.26 -1.32 2.02 -1.00 0.02 0.00 0.00 175.26 175.24 3iud h PRO 299 N 5.64 0.44 -0.48 0.39 0.13 -1.92 -2.87 132.00 133.33 3iud h PRO 299 Ca 0.18 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.14 3iud h PRO 299 Cb 0.84 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3iud h PRO 299 CO 0.54 0.36 -0.21 -0.92 -0.23 0.00 0.00 178.00 177.54 3iud h TYR 300 N 0.44 1.11 -0.77 1.56 3.20 -1.93 -1.02 116.97 119.57 3iud h TYR 300 Ca 0.11 -0.26 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 3iud h TYR 300 Cb 0.07 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 3iud h TYR 300 CO 0.00 1.08 0.47 -0.09 -1.64 0.00 0.00 178.16 177.98 3iud h ARG 301 N 0.84 1.04 -0.81 1.82 2.43 -1.94 0.32 114.38 118.08 3iud h ARG 301 Ca 0.11 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3iud h ARG 301 Cb 0.78 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 3iud h ARG 301 CO 0.06 0.73 0.51 1.25 -1.51 0.00 0.00 179.97 181.01 3iud h LEU 302 N 1.05 0.95 0.36 3.80 5.85 -1.34 0.33 115.31 126.31 3iud h LEU 302 Ca 0.28 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3iud h LEU 302 Cb -0.05 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.75 3iud h LEU 302 CO -0.05 0.71 -0.17 0.15 -0.34 0.00 0.00 178.44 178.74 3iud h PHE 303 N 1.10 -0.44 -0.68 1.25 3.57 -0.01 -2.02 116.94 119.71 3iud h PHE 303 Ca 0.29 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.87 3iud h PHE 303 Cb -0.08 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3iud h PHE 303 CO -0.01 -0.25 0.45 -0.07 -2.23 0.00 0.00 178.31 176.20 3iud h LEU 304 N -0.52 0.52 -0.62 0.59 3.38 0.08 0.36 115.31 119.09 3iud h LEU 304 Ca -0.05 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3iud h LEU 304 Cb 0.39 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3iud h LEU 304 CO 0.08 0.32 0.03 0.58 0.09 0.00 0.00 178.44 179.55 3iud h VAL 305 N 0.58 1.27 0.00 1.22 2.07 -0.72 -2.20 116.25 118.47 3iud h VAL 305 Ca 0.31 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 3iud h VAL 305 Cb 0.43 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3iud h VAL 305 CO -0.10 0.41 -0.42 -0.26 0.02 0.00 0.00 177.57 177.22 3iud h PHE 306 N 0.98 0.00 -0.82 1.57 0.04 -0.08 -2.61 116.94 116.02 3iud h PHE 306 Ca 0.18 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.97 3iud h PHE 306 Cb 0.52 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 3iud h PHE 306 CO 0.04 0.42 0.54 -0.97 -0.60 0.00 0.00 178.31 177.74 3iud h ASN 307 N 0.00 0.92 -0.31 2.17 -1.24 0.21 0.31 115.58 117.63 3iud h ASN 307 Ca -0.00 -0.02 -0.17 0.00 0.71 0.00 0.00 56.30 56.82 3iud h ASN 307 Cb 0.90 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.73 3iud h ASN 307 CO 0.05 0.65 -0.46 -0.33 -1.29 0.00 0.00 177.43 176.06 3iud h GLU 308 N 1.08 0.86 -0.34 6.67 4.39 -1.21 -0.79 114.58 125.25 3iud h GLU 308 Ca 0.31 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 3iud h GLU 308 Cb -0.07 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3iud h GLU 308 CO -0.08 1.15 0.16 -0.07 -1.16 0.00 0.00 179.01 179.01 3iud h LEU 309 N 0.65 0.45 -0.42 1.33 3.38 -0.93 -1.55 115.31 118.22 3iud h LEU 309 Ca 0.03 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 3iud h LEU 309 Cb 1.06 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3iud h LEU 309 CO 0.11 0.46 -0.46 0.58 0.09 0.00 0.00 178.44 179.21 3iud h VAL 310 N 0.41 1.28 -0.41 1.22 2.07 -0.45 -1.75 116.25 118.62 3iud h VAL 310 Ca 0.12 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 3iud h VAL 310 Cb 0.13 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3iud h VAL 310 CO -0.01 0.54 0.26 -0.78 0.02 0.00 0.00 177.57 177.59 3iud h ASP 311 N 0.65 0.49 -0.70 0.57 1.82 -1.01 0.89 116.42 119.14 3iud h ASP 311 Ca 0.04 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 3iud h ASP 311 Cb 1.04 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.90 3iud h ASP 311 CO 0.10 0.38 0.29 0.00 -1.61 0.00 0.00 179.24 178.40 3iud h ALA 312 N 1.13 0.90 -0.22 -0.78 0.00 -1.25 -1.91 119.26 117.13 3iud h ALA 312 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3iud h ALA 312 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3iud h ALA 312 CO -0.03 0.52 0.06 1.49 0.00 0.00 0.00 179.25 181.29 3iud h GLU 313 N 0.99 0.35 -0.55 0.00 4.81 -0.68 -3.01 114.58 116.50 3iud h GLU 313 Ca 0.23 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 3iud h GLU 313 Cb 0.19 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 3iud h GLU 313 CO -0.02 0.45 0.05 0.00 -0.73 0.00 0.00 179.01 178.77 3iud h ALA 314 N 0.88 0.58 -3.48 2.92 0.00 0.11 -3.38 119.26 116.89 3iud h ALA 314 Ca 0.07 0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 3iud h ALA 314 Cb 0.25 0.22 0.13 0.00 0.00 0.00 0.00 17.79 18.40 3iud h ALA 314 CO -0.00 -0.35 0.21 0.54 0.00 0.00 0.00 179.25 179.64 3iud n ARG 315 N -5.19 -1.66 -1.54 0.00 1.74 -0.74 -4.83 116.66 104.43 3iud n ARG 315 Ca 0.07 -1.39 -0.32 0.00 -0.77 0.00 0.00 57.85 55.44 3iud n ARG 315 Cb 0.30 -1.08 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 3iud n ARG 315 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iud n GLY 316 N -1.95 -0.01 3.56 -0.13 0.00 -1.26 -4.83 105.19 100.57 3iud n GLY 316 Ca 0.12 0.64 -0.22 0.00 0.00 0.00 0.00 46.02 46.55 3iud n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iud s VAL 317 N 11.78 3.29 0.00 1.61 -7.23 -1.26 -4.87 120.40 123.72 3iud s VAL 317 Ca 1.04 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 3iud s VAL 317 Cb -0.35 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 32.92 3iud s VAL 317 CO 0.27 -0.60 0.15 1.17 -0.31 0.00 0.00 175.10 175.79 3iud n LYS 318 N 8.81 0.00 0.00 4.82 4.81 -1.26 -4.30 118.16 131.04 3iud n LYS 318 Ca 0.43 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 3iud n LYS 318 Cb 0.46 -0.58 0.00 0.00 0.02 0.00 0.00 35.03 34.92 3iud n LYS 318 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iud n GLY 319 N -0.33 -0.20 1.64 3.14 0.00 -1.26 -5.08 105.19 103.09 3iud n GLY 319 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3iud n GLY 319 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iud n PHE 320 N -0.05 0.40 -2.87 1.61 -0.00 -1.26 -4.86 117.46 110.43 3iud n PHE 320 Ca 0.00 0.27 -0.12 0.00 -0.00 0.00 0.00 57.45 57.60 3iud n PHE 320 Cb 0.25 -1.13 0.02 0.00 -0.00 0.00 0.00 39.48 38.62 3iud n PHE 320 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3iud n HIS 321 N 4.42 -2.52 -1.73 -5.13 8.25 -1.26 -5.06 115.22 112.19 3iud n HIS 321 Ca 0.29 -2.26 -0.42 0.00 -0.26 0.00 0.00 57.72 55.07 3iud n HIS 321 Cb -0.00 1.05 -0.00 0.00 1.12 0.00 0.00 29.99 32.15 3iud n HIS 321 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3iud n PRO 322 N 1.51 2.38 -2.99 -0.41 -0.02 -1.26 -4.92 135.00 129.30 3iud n PRO 322 Ca 0.12 0.83 -0.44 0.00 -2.02 0.00 0.00 63.50 61.99 3iud n PRO 322 Cb 0.61 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 3iud n PRO 322 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iud s ALA 323 N -1.11 3.86 0.28 3.55 0.00 0.29 -4.90 121.76 123.74 3iud s ALA 323 Ca 0.54 -3.21 -0.29 0.00 0.00 0.00 0.00 51.96 49.00 3iud s ALA 323 Cb -0.53 -4.04 -0.09 0.00 0.00 0.00 0.00 23.12 18.46 3iud s ALA 323 CO 0.63 -2.77 1.08 -1.01 0.00 0.00 0.00 175.76 173.69 3iud s HIS 324 N 1.65 3.62 -0.04 0.00 3.76 -1.26 -3.68 115.29 119.33 3iud s HIS 324 Ca 0.38 1.72 -0.16 0.00 -0.15 0.00 0.00 55.06 56.84 3iud s HIS 324 Cb -0.04 -3.25 0.03 0.00 1.11 0.00 0.00 32.58 30.43 3iud s HIS 324 CO -0.04 -0.45 0.37 1.41 -0.85 0.00 0.00 174.74 175.18 3iud s MET 325 N -1.44 0.67 0.02 1.40 1.75 0.27 -1.63 119.30 120.34 3iud s MET 325 Ca 0.44 0.01 -0.20 0.00 -1.25 0.00 0.00 55.69 54.69 3iud s MET 325 Cb -0.31 0.31 -0.06 0.00 2.84 0.00 0.00 34.83 37.60 3iud s MET 325 CO 0.40 -0.17 0.58 0.42 -0.65 0.00 0.00 175.02 175.59 3iud s ILE 326 N -1.01 4.85 -0.35 10.11 1.01 -0.33 -0.51 121.20 134.97 3iud s ILE 326 Ca -0.11 1.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.75 3iud s ILE 326 Cb -0.04 -3.91 0.13 0.00 0.01 0.00 0.00 42.46 38.65 3iud s ILE 326 CO 0.04 0.47 0.19 -0.62 0.00 0.00 0.00 174.94 175.03 3iud s ASP 327 N -0.55 3.22 0.26 3.58 -1.08 -0.37 -3.83 116.67 117.89 3iud s ASP 327 Ca 0.30 -2.04 0.03 0.00 -0.52 0.00 0.00 52.55 50.31 3iud s ASP 327 Cb -0.19 -0.50 -0.05 0.00 -1.46 0.00 0.00 42.92 40.72 3iud s ASP 327 CO 0.18 -0.33 0.04 -1.10 0.52 0.00 0.00 175.17 174.47 3iud s GLN 328 N 1.20 1.42 -0.08 4.34 -0.21 -1.26 -4.64 119.66 120.43 3iud s GLN 328 Ca 0.16 -1.74 0.02 0.00 0.02 0.00 0.00 55.36 53.82 3iud s GLN 328 Cb -0.22 -0.57 0.01 0.00 1.00 0.00 0.00 33.01 33.24 3iud s GLN 328 CO -0.08 -0.17 -0.14 0.45 -2.12 0.00 0.00 175.29 173.23 3iud s SER 329 N -3.34 2.05 -0.41 5.90 0.15 -0.67 -4.73 113.70 112.65 3iud s SER 329 Ca 0.32 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.60 3iud s SER 329 Cb 0.07 -0.94 0.11 0.00 -1.71 0.00 0.00 66.02 63.55 3iud s SER 329 CO 0.11 0.05 0.20 -1.00 1.20 0.00 0.00 173.24 173.81 3iud s HIS 330 N 0.65 3.59 -0.27 3.44 0.09 -1.26 -4.63 115.29 116.90 3iud s HIS 330 Ca -0.14 -2.44 0.22 0.00 -0.00 0.00 0.00 55.06 52.70 3iud s HIS 330 Cb -0.16 -3.22 -0.10 0.00 -0.00 0.00 0.00 32.58 29.10 3iud s HIS 330 CO 0.04 -0.97 0.86 0.09 -0.00 0.00 0.00 174.74 174.76 3iud n ASN 331 N 4.57 0.52 -1.14 1.40 3.02 -1.26 -1.24 115.26 121.14 3iud n ASN 331 Ca -0.02 0.08 0.03 0.00 -0.03 0.00 0.00 54.58 54.65 3iud n ASN 331 Cb 0.41 1.03 0.04 0.00 -0.61 0.00 0.00 39.78 40.65 3iud n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3iud n VAL 332 N -2.36 0.28 -3.90 2.41 0.24 -1.26 -4.80 118.33 108.94 3iud n VAL 332 Ca -0.01 -1.03 -0.09 0.00 -2.04 0.00 0.00 64.34 61.17 3iud n VAL 332 Cb 0.53 0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 33.56 3iud n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3iud s THR 333 N -0.41 0.08 -0.23 3.34 -4.23 -1.26 -5.09 115.64 107.83 3iud s THR 333 Ca 0.27 -1.24 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 3iud s THR 333 Cb 0.30 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 3iud s THR 333 CO -0.12 -0.35 1.68 -0.62 -0.54 0.00 0.00 174.62 174.68 3iud s ASP 334 N -2.93 6.26 0.32 3.99 -1.08 -1.26 -4.87 116.67 117.10 3iud s ASP 334 Ca 0.13 1.60 0.08 0.00 -0.52 0.00 0.00 52.55 53.85 3iud s ASP 334 Cb 0.03 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.88 3iud s ASP 334 CO -0.03 -1.36 1.63 -0.65 0.52 0.00 0.00 175.17 175.27 3iud h PRO 335 N 11.29 0.17 -0.61 4.34 0.11 -1.88 -0.55 132.00 144.86 3iud h PRO 335 Ca -0.34 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 3iud h PRO 335 Cb 1.16 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3iud h PRO 335 CO 1.00 0.11 0.26 0.82 -0.21 0.00 0.00 178.00 179.99 3iud h ILE 336 N 0.17 1.23 -0.38 4.15 2.04 -1.87 -1.18 117.51 121.67 3iud h ILE 336 Ca 0.66 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3iud h ILE 336 Cb 1.46 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3iud h ILE 336 CO -0.70 0.27 -0.19 -0.33 0.00 0.00 0.00 178.15 177.20 3iud h GLU 337 N 0.84 0.72 -0.14 2.37 5.08 -1.50 -0.33 114.58 121.62 3iud h GLU 337 Ca 0.21 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3iud h GLU 337 Cb 0.17 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3iud h GLU 337 CO -0.02 0.86 -0.02 0.77 -1.00 0.00 0.00 179.01 179.60 3iud h SER 338 N 0.64 0.27 -0.32 1.42 0.02 -1.27 -1.15 113.55 113.16 3iud h SER 338 Ca 0.10 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3iud h SER 338 Cb 0.67 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3iud h SER 338 CO 0.05 0.55 0.12 -0.07 -1.14 0.00 0.00 176.83 176.34 3iud h LEU 339 N -0.03 0.50 -0.03 5.07 3.38 -1.12 0.37 115.31 123.45 3iud h LEU 339 Ca 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iud h LEU 339 Cb 0.43 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3iud h LEU 339 CO 0.01 0.48 0.01 0.40 0.09 0.00 0.00 178.44 179.44 3iud h ILE 340 N 0.54 1.11 0.00 1.22 2.04 -0.78 -1.68 117.51 119.96 3iud h ILE 340 Ca 0.13 -0.33 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 3iud h ILE 340 Cb 0.17 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3iud h ILE 340 CO -0.01 0.09 -0.67 0.78 0.00 0.00 0.00 178.15 178.35 3iud h ASN 341 N -0.08 0.00 -0.44 1.72 2.35 -0.83 -2.69 115.58 115.61 3iud h ASN 341 Ca 0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 3iud h ASN 341 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3iud h ASN 341 CO -0.00 0.67 -0.09 0.28 -1.65 0.00 0.00 177.43 176.64 3iud h SER 342 N 0.00 0.85 -0.34 5.81 0.02 -0.20 0.43 113.55 120.12 3iud h SER 342 Ca -0.01 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 3iud h SER 342 Cb 1.35 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 3iud h SER 342 CO 0.09 1.00 -0.04 0.00 -1.14 0.00 0.00 176.83 176.74 3iud h ALA 343 N 0.87 1.12 -0.35 3.77 0.00 -1.29 -1.00 119.26 122.39 3iud h ALA 343 Ca 0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3iud h ALA 343 Cb 0.62 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3iud h ALA 343 CO 0.04 0.56 -0.01 -0.91 0.00 0.00 0.00 179.25 178.93 3iud h ASN 344 N 0.68 0.61 -0.88 0.00 -0.26 -1.14 -2.13 115.58 112.45 3iud h ASN 344 Ca 0.13 -0.31 0.03 0.00 -0.56 0.00 0.00 56.30 55.59 3iud h ASN 344 Cb 0.47 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.52 3iud h ASN 344 CO 0.02 0.77 0.57 -0.08 -1.06 0.00 0.00 177.43 177.66 3iud h GLU 345 N 0.43 1.08 -0.57 0.81 4.57 -0.51 0.97 114.58 121.36 3iud h GLU 345 Ca 0.10 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3iud h GLU 345 Cb 0.46 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3iud h GLU 345 CO 0.02 0.71 0.29 0.82 -1.18 0.00 0.00 179.01 179.68 3iud h ILE 346 N 1.11 1.20 0.00 2.32 2.04 -0.94 -1.55 117.51 121.69 3iud h ILE 346 Ca 0.35 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3iud h ILE 346 Cb 0.00 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3iud h ILE 346 CO -0.12 0.22 -0.17 0.03 0.00 0.00 0.00 178.15 178.12 3iud h ARG 347 N 0.77 0.00 -0.05 2.37 3.08 -0.61 -2.21 114.38 117.73 3iud h ARG 347 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3iud h ARG 347 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3iud h ARG 347 CO -0.03 0.17 -0.06 -0.09 -1.07 0.00 0.00 179.97 178.89 3iud h ARG 348 N 0.00 0.13 -0.84 0.04 2.43 0.10 -1.61 114.38 114.63 3iud h ARG 348 Ca -0.00 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3iud h ARG 348 Cb 0.55 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3iud h ARG 348 CO 0.02 0.60 0.40 0.00 -1.51 0.00 0.00 179.97 179.48 3iud h ALA 349 N 0.53 1.08 0.15 2.80 0.00 -1.15 -1.92 119.26 120.76 3iud h ALA 349 Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iud h ALA 349 Cb 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3iud h ALA 349 CO 0.01 0.66 -0.07 -0.92 0.00 0.00 0.00 179.25 178.93 3iud h TYR 350 N 1.20 -0.19 -0.81 0.00 3.20 -1.38 -1.07 116.97 117.92 3iud h TYR 350 Ca 0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3iud h TYR 350 Cb 0.13 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3iud h TYR 350 CO 0.02 -0.10 0.52 0.00 -1.64 0.00 0.00 178.16 176.95 3iud h ALA 351 N 0.64 1.38 -0.26 1.82 0.00 -1.10 -1.80 119.26 119.94 3iud h ALA 351 Ca -0.02 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3iud h ALA 351 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iud h ALA 351 CO 0.03 0.56 -0.48 1.96 0.00 0.00 0.00 179.25 181.32 3iud h GLN 352 N 1.11 0.69 0.00 0.00 4.20 -1.22 -2.48 115.11 117.41 3iud h GLN 352 Ca 0.30 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3iud h GLN 352 Cb -0.09 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3iud h GLN 352 CO -0.06 1.02 -0.10 0.00 -0.67 0.00 0.00 178.83 179.02 3iud h ALA 353 N 0.91 1.46 0.00 3.87 0.00 -0.47 -0.47 119.26 124.55 3iud h ALA 353 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iud h ALA 353 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iud h ALA 353 CO 0.10 0.12 0.00 -0.07 0.00 0.00 0.00 179.25 179.40 3iud h LEU 354 N 0.00 0.00 -0.15 0.00 3.38 -0.89 -3.16 115.31 114.50 3iud h LEU 354 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iud h LEU 354 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3iud h LEU 354 CO 0.01 0.00 -0.18 0.18 0.09 0.00 0.00 178.44 178.54 3iud n LEU 355 N -2.90 0.41 -4.73 1.67 4.77 -0.19 -4.88 117.00 111.14 3iud n LEU 355 Ca 0.04 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 3iud n LEU 355 Cb 0.48 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3iud n LEU 355 CO 0.32 0.08 1.09 -0.69 -1.33 0.00 0.00 177.39 176.87 3iud s VAL 356 N -2.70 2.88 -1.03 4.08 1.01 -1.20 -4.71 120.40 118.73 3iud s VAL 356 Ca 0.22 0.69 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 3iud s VAL 356 Cb 0.19 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 33.20 3iud s VAL 356 CO 0.54 0.09 1.42 -0.62 0.00 0.00 0.00 175.10 176.53 3iud s ASP 357 N 0.62 6.57 0.22 3.32 -1.08 -1.26 -4.85 116.67 120.20 3iud s ASP 357 Ca 0.61 -1.68 -0.08 0.00 -0.52 0.00 0.00 52.55 50.89 3iud s ASP 357 Cb -0.40 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 38.84 3iud s ASP 357 CO 0.38 -1.38 1.77 0.03 0.52 0.00 0.00 175.17 176.49 3iud h ARG 358 N 9.37 0.54 0.04 4.34 2.47 -1.96 0.22 114.38 129.40 3iud h ARG 358 Ca 0.22 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.91 3iud h ARG 358 Cb 1.00 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.18 3iud h ARG 358 CO 1.37 0.36 -0.07 0.00 0.56 0.00 0.00 179.97 182.19 3iud h ALA 359 N 1.42 -0.10 -0.89 0.04 0.00 -1.99 0.10 119.26 117.83 3iud h ALA 359 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3iud h ALA 359 Cb 0.36 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3iud h ALA 359 CO -0.27 -0.57 0.52 0.00 0.00 0.00 0.00 179.25 178.92 3iud h ALA 360 N 0.82 1.14 -0.49 0.00 0.00 -1.82 -1.58 119.26 117.34 3iud h ALA 360 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3iud h ALA 360 Cb 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3iud h ALA 360 CO -0.04 0.62 0.20 1.25 0.00 0.00 0.00 179.25 181.27 3iud h LEU 361 N 1.24 0.67 -0.70 0.00 5.85 -0.18 -2.19 115.31 120.00 3iud h LEU 361 Ca 0.32 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3iud h LEU 361 Cb -0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3iud h LEU 361 CO -0.06 0.65 0.45 -1.28 -0.34 0.00 0.00 178.44 177.87 3iud h SER 362 N 0.64 0.76 0.04 1.25 0.87 -0.39 -1.24 113.55 115.49 3iud h SER 362 Ca 0.16 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3iud h SER 362 Cb 0.19 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3iud h SER 362 CO -0.01 0.54 -0.02 1.23 -0.53 0.00 0.00 176.83 178.04 3iud h GLY 363 N 0.90 -0.05 1.81 5.77 0.00 -0.97 -1.85 103.07 108.68 3iud h GLY 363 Ca 0.27 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3iud h GLY 363 CO -0.08 -0.02 -0.08 -0.97 0.00 0.00 0.00 176.54 175.39 3iud h TYR 364 N -0.06 0.24 -0.29 5.60 0.05 -1.17 -1.70 116.97 119.64 3iud h TYR 364 Ca -0.00 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 3iud h TYR 364 Cb 0.04 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3iud h TYR 364 CO -0.07 0.32 0.05 1.96 -1.05 0.00 0.00 178.16 179.36 3iud h GLN 365 N 0.23 0.49 0.00 4.88 4.20 -0.89 0.10 115.11 124.12 3iud h GLN 365 Ca 0.05 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3iud h GLN 365 Cb 0.29 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3iud h GLN 365 CO 0.01 0.59 -0.19 0.93 -0.67 0.00 0.00 178.83 179.51 3iud h GLU 366 N 0.31 0.00 -0.01 1.46 4.39 -0.88 -1.80 114.58 118.05 3iud h GLU 366 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3iud h GLU 366 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3iud h GLU 366 CO 0.01 0.19 -0.24 -0.25 -1.16 0.00 0.00 179.01 177.56 3iud n ASP 367 N -3.52 0.89 -3.15 1.42 8.00 -0.68 -4.91 116.55 114.60 3iud n ASP 367 Ca -0.01 -0.79 -0.23 0.00 0.71 0.00 0.00 54.79 54.47 3iud n ASP 367 Cb 0.34 0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.58 3iud n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3iud n ASN 368 N -0.75 -6.24 -4.25 -2.24 5.03 -0.41 -4.88 115.26 101.52 3iud n ASN 368 Ca 0.12 -0.35 -0.44 0.00 0.87 0.00 0.00 54.58 54.79 3iud n ASN 368 Cb 0.33 -5.01 0.00 0.00 -1.02 0.00 0.00 39.78 34.09 3iud n ASN 368 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3iud n ASP 369 N -2.64 5.24 -0.28 6.41 -0.08 0.22 -4.85 116.55 120.55 3iud n ASP 369 Ca -0.09 -3.04 0.07 0.00 -1.51 0.00 0.00 54.79 50.23 3iud n ASP 369 Cb 0.61 -1.52 0.22 0.00 2.34 0.00 0.00 41.12 42.77 3iud n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iud h ALA 370 N 6.60 1.21 0.82 -1.67 0.00 -1.90 -0.79 119.26 123.53 3iud h ALA 370 Ca 0.33 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 3iud h ALA 370 Cb 0.78 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3iud h ALA 370 CO 1.36 -0.20 -0.41 1.25 0.00 0.00 0.00 179.25 181.26 3iud h LEU 371 N 0.49 -0.97 -1.88 0.00 5.85 -1.97 -1.91 115.31 114.92 3iud h LEU 371 Ca 0.46 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 3iud h LEU 371 Cb 0.72 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3iud h LEU 371 CO -0.42 -0.68 -0.01 0.24 -0.34 0.00 0.00 178.44 177.23 3iud h MET 372 N -1.12 0.05 0.11 1.25 2.86 -1.93 -0.33 114.93 115.82 3iud h MET 372 Ca -0.11 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3iud h MET 372 Cb 0.86 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.51 3iud h MET 372 CO 0.18 0.07 -0.05 0.00 1.06 0.00 0.00 176.91 178.17 3iud h ALA 373 N 1.93 -0.15 0.00 6.32 0.00 -1.03 0.88 119.26 127.21 3iud h ALA 373 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3iud h ALA 373 Cb 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iud h ALA 373 CO 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 179.25 178.62 3iud h THR 374 N -0.33 0.30 0.04 0.00 1.03 -0.94 -2.84 112.91 110.18 3iud h THR 374 Ca -0.02 -0.99 -0.23 0.00 -0.01 0.00 0.00 66.41 65.17 3iud h THR 374 Cb 0.27 1.78 -0.00 0.00 -1.07 0.00 0.00 68.15 69.12 3iud h THR 374 CO 0.03 0.13 -1.02 -0.08 -0.01 0.00 0.00 175.52 174.57 3iud h GLU 375 N 0.00 0.25 -0.63 0.00 4.57 -0.85 -1.99 114.58 115.94 3iud h GLU 375 Ca -0.00 -0.33 -0.08 0.00 -1.18 0.00 0.00 59.36 57.77 3iud h GLU 375 Cb 0.77 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 3iud h GLU 375 CO 0.02 1.08 0.09 1.15 -1.18 0.00 0.00 179.01 180.16 3iud h THR 376 N 0.12 1.26 -0.29 0.32 2.02 -0.61 -0.50 112.91 115.22 3iud h THR 376 Ca -0.08 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 65.99 3iud h THR 376 Cb 1.69 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 3iud h THR 376 CO 0.16 0.38 -0.15 0.25 0.37 0.00 0.00 175.52 176.53 3iud h LEU 377 N 0.98 0.63 -1.47 2.58 5.85 -1.49 -3.11 115.31 119.28 3iud h LEU 377 Ca 0.19 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3iud h LEU 377 Cb 0.44 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3iud h LEU 377 CO 0.01 0.91 -0.03 0.11 -0.34 0.00 0.00 178.44 179.10 3iud h LYS 378 N 0.36 0.30 -0.48 1.25 1.79 -1.02 -2.15 116.57 116.62 3iud h LYS 378 Ca 0.06 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3iud h LYS 378 Cb 0.67 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 3iud h LYS 378 CO 0.04 0.36 0.29 0.00 -1.08 0.00 0.00 179.45 179.06 3iud h ARG 379 N 0.29 0.64 0.02 3.15 3.08 -1.02 0.52 114.38 121.06 3iud h ARG 379 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3iud h ARG 379 Cb 0.25 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3iud h ARG 379 CO 0.01 0.45 -0.01 0.00 -1.07 0.00 0.00 179.97 179.35 3iud h ALA 380 N 1.67 -0.02 -0.84 0.04 0.00 -1.49 -3.21 119.26 115.41 3iud h ALA 380 Ca 0.17 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3iud h ALA 380 Cb -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3iud h ALA 380 CO -0.03 -0.11 0.53 -0.92 0.00 0.00 0.00 179.25 178.71 3iud h TYR 381 N -0.82 0.98 0.00 0.00 3.20 -1.04 -2.41 116.97 116.87 3iud h TYR 381 Ca -0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3iud h TYR 381 Cb 0.76 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3iud h TYR 381 CO 0.19 0.52 -0.24 0.00 -1.64 0.00 0.00 178.16 176.99 3iud h ARG 382 N 0.98 0.00 -6.64 1.82 3.08 -0.06 -3.44 114.38 110.13 3iud h ARG 382 Ca 0.36 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.87 3iud h ARG 382 Cb 0.12 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.23 3iud h ARG 382 CO -0.15 0.24 0.95 2.41 -1.07 0.00 0.00 179.97 182.34 3iud n THR 383 N -4.18 0.11 -2.76 2.04 -1.04 -0.91 -4.91 114.28 102.63 3iud n THR 383 Ca -0.02 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 3iud n THR 383 Cb 0.30 -1.88 -0.04 0.00 -1.82 0.00 0.00 70.33 66.89 3iud n THR 383 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3iud s ASP 384 N 1.04 6.17 0.00 8.00 2.15 -1.26 -4.89 116.67 127.88 3iud s ASP 384 Ca 0.75 -0.83 0.19 0.00 0.43 0.00 0.00 52.55 53.09 3iud s ASP 384 Cb -0.54 -2.46 0.75 0.00 -0.30 0.00 0.00 42.92 40.36 3iud s ASP 384 CO 0.35 -1.57 1.53 1.33 -0.17 0.00 0.00 175.17 176.65 3iud n VAL 385 N 6.07 0.20 -0.34 1.11 0.24 -1.26 -4.42 118.33 119.92 3iud n VAL 385 Ca -0.02 -0.30 0.21 0.00 -2.04 0.00 0.00 64.34 62.19 3iud n VAL 385 Cb 0.47 0.26 0.44 0.00 -1.47 0.00 0.00 33.84 33.53 3iud n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3iud h GLU 386 N 1.84 0.46 -0.84 7.34 4.57 -1.98 0.34 114.58 126.31 3iud h GLU 386 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3iud h GLU 386 Cb 0.41 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 3iud h GLU 386 CO 0.00 0.31 0.54 -1.35 -1.18 0.00 0.00 179.01 177.32 3iud h PRO 387 N 0.48 1.12 -0.14 0.92 0.11 -1.92 0.27 132.00 132.83 3iud h PRO 387 Ca 0.66 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.68 3iud h PRO 387 Cb 1.42 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3iud h PRO 387 CO -0.47 0.76 0.05 0.82 -0.21 0.00 0.00 178.00 178.95 3iud h ILE 388 N 1.14 1.17 -0.80 4.15 2.04 -1.28 0.16 117.51 124.09 3iud h ILE 388 Ca 0.31 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3iud h ILE 388 Cb -0.10 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3iud h ILE 388 CO -0.06 0.16 0.51 -0.07 0.00 0.00 0.00 178.15 178.69 3iud h LEU 389 N 0.06 0.85 -0.35 1.44 4.07 -1.02 0.46 115.31 120.82 3iud h LEU 389 Ca 0.05 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 3iud h LEU 389 Cb 0.20 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3iud h LEU 389 CO -0.00 0.59 -0.06 0.00 -1.08 0.00 0.00 178.44 177.89 3iud h ALA 390 N 1.33 0.48 0.00 1.53 0.00 -0.19 -2.45 119.26 119.96 3iud h ALA 390 Ca 0.32 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3iud h ALA 390 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3iud h ALA 390 CO -0.11 0.30 -0.42 1.49 0.00 0.00 0.00 179.25 180.52 3iud h GLU 391 N 0.45 0.00 -0.15 0.00 4.57 -0.39 -2.35 114.58 116.72 3iud h GLU 391 Ca 0.09 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3iud h GLU 391 Cb 0.55 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3iud h GLU 391 CO 0.03 0.42 0.00 0.00 -1.18 0.00 0.00 179.01 178.28 3iud h ALA 392 N 1.58 0.20 -0.13 2.92 0.00 -0.74 -1.55 119.26 121.54 3iud h ALA 392 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iud h ALA 392 Cb 0.75 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3iud h ALA 392 CO 0.05 -0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.27 3iud h ARG 393 N 0.00 0.18 -0.18 0.00 3.08 -1.30 -2.63 114.38 113.54 3iud h ARG 393 Ca 0.04 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3iud h ARG 393 Cb 0.36 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3iud h ARG 393 CO 0.01 0.18 -0.07 -0.09 -1.07 0.00 0.00 179.97 178.93 3iud h ARG 394 N 0.12 -0.05 -0.12 0.04 2.43 -1.37 1.85 114.38 117.29 3iud h ARG 394 Ca 0.05 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3iud h ARG 394 Cb 0.06 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3iud h ARG 394 CO -0.01 -0.03 0.10 0.00 -1.51 0.00 0.00 179.97 178.52 3iud h ARG 395 N -0.05 0.00 -0.55 0.20 3.08 -1.18 -2.29 114.38 113.60 3iud h ARG 395 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3iud h ARG 395 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3iud h ARG 395 CO -0.21 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.94 3iud n THR 396 N -4.20 1.92 -2.07 2.04 -2.24 -0.73 -4.92 114.28 104.07 3iud n THR 396 Ca -0.00 -1.31 -0.01 0.00 -2.27 0.00 0.00 64.05 60.46 3iud n THR 396 Cb 0.21 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3iud n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iud n GLY 397 N 0.74 0.42 1.76 3.38 0.00 -0.86 -5.01 105.19 105.62 3iud n GLY 397 Ca 0.24 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 3iud n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iud n GLY 398 N -0.94 2.64 3.72 -0.02 0.00 0.62 -4.76 105.19 106.45 3iud n GLY 398 Ca -0.01 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 3iud n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iud s ALA 399 N -2.35 3.39 0.21 4.61 0.00 -0.32 -4.00 121.76 123.29 3iud s ALA 399 Ca 0.18 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 3iud s ALA 399 Cb -0.01 -1.53 0.16 0.00 0.00 0.00 0.00 23.12 21.74 3iud s ALA 399 CO 0.11 0.61 1.81 0.28 0.00 0.00 0.00 175.76 178.58 3iud h VAL 400 N 3.94 1.25 -2.99 0.00 2.07 -1.87 -3.31 116.25 115.33 3iud h VAL 400 Ca -0.51 -0.66 -0.62 0.00 0.82 0.00 0.00 66.70 65.73 3iud h VAL 400 Cb 1.19 0.23 -0.41 0.00 -1.52 0.00 0.00 31.29 30.78 3iud h VAL 400 CO 0.56 0.29 -0.69 -0.62 0.02 0.00 0.00 177.57 177.13 3iud s ASP 401 N -6.18 3.89 0.16 0.57 -1.08 -1.26 -4.75 116.67 108.01 3iud s ASP 401 Ca -0.13 -3.27 -0.28 0.00 -0.52 0.00 0.00 52.55 48.35 3iud s ASP 401 Cb 0.15 -1.29 -0.01 0.00 -1.46 0.00 0.00 42.92 40.32 3iud s ASP 401 CO 0.82 -0.17 1.55 -0.65 0.52 0.00 0.00 175.17 177.24 3iud h PRO 402 N 5.97 -0.16 -0.68 4.34 0.11 -1.85 -0.89 132.00 138.83 3iud h PRO 402 Ca 0.09 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3iud h PRO 402 Cb 0.85 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 3iud h PRO 402 CO 0.60 -0.11 0.17 0.28 -0.21 0.00 0.00 178.00 178.73 3iud h VAL 403 N -0.17 1.26 -0.41 3.15 2.07 -1.95 -0.01 116.25 120.20 3iud h VAL 403 Ca 0.17 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3iud h VAL 403 Cb 0.53 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3iud h VAL 403 CO -0.79 0.36 0.27 0.00 0.02 0.00 0.00 177.57 177.43 3iud h ALA 404 N 1.15 0.52 -0.67 1.67 0.00 -1.85 0.05 119.26 120.12 3iud h ALA 404 Ca 0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3iud h ALA 404 Cb 0.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3iud h ALA 404 CO 0.00 -0.04 0.27 1.15 0.00 0.00 0.00 179.25 180.64 3iud h THR 405 N 0.54 1.24 -0.25 0.00 2.02 -0.94 0.12 112.91 115.64 3iud h THR 405 Ca 0.15 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.61 3iud h THR 405 Cb -0.06 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3iud h THR 405 CO -0.04 0.30 0.09 0.22 0.37 0.00 0.00 175.52 176.46 3iud h TYR 406 N 0.95 0.17 -0.45 3.16 3.20 -0.42 -0.22 116.97 123.35 3iud h TYR 406 Ca 0.22 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 3iud h TYR 406 Cb 0.20 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3iud h TYR 406 CO 0.01 0.08 -0.19 0.00 -1.64 0.00 0.00 178.16 176.43 3iud h ARG 407 N 0.21 0.92 0.00 1.82 3.08 -0.71 -2.85 114.38 116.85 3iud h ARG 407 Ca 0.11 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 3iud h ARG 407 Cb 0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3iud h ARG 407 CO -0.10 1.05 -0.13 0.00 -1.07 0.00 0.00 179.97 179.72 3iud h ALA 408 N 0.85 1.41 0.00 0.04 0.00 -0.48 -2.51 119.26 118.57 3iud h ALA 408 Ca 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iud h ALA 408 Cb 0.76 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3iud h ALA 408 CO 0.06 0.16 -0.04 0.66 0.00 0.00 0.00 179.25 180.09 3iud h SER 409 N 0.00 0.00 -0.01 0.00 4.64 -0.80 -3.48 113.55 113.90 3iud h SER 409 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3iud h SER 409 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3iud h SER 409 CO 0.02 0.01 -0.01 0.61 -0.87 0.00 0.00 176.83 176.59 3iud n GLY 410 N 1.11 0.37 0.33 -0.77 0.00 -0.95 -4.92 105.19 100.36 3iud n GLY 410 Ca 0.04 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3iud n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3iud h TYR 411 N 0.00 0.76 -0.03 1.61 3.20 -1.85 -1.73 116.97 118.92 3iud h TYR 411 Ca -0.01 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3iud h TYR 411 Cb 0.31 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 3iud h TYR 411 CO 0.19 -0.11 0.01 -0.09 -1.64 0.00 0.00 178.16 176.52 3iud h ARG 412 N 0.36 0.04 -0.44 1.82 9.65 -1.91 -1.46 114.38 122.43 3iud h ARG 412 Ca 0.64 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.51 3iud h ARG 412 Cb 1.34 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.89 3iud h ARG 412 CO -0.58 0.21 0.28 0.00 2.80 0.00 0.00 179.97 182.67 3iud h ALA 413 N 0.83 1.65 0.50 2.80 0.00 -1.79 -0.16 119.26 123.09 3iud h ALA 413 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iud h ALA 413 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iud h ALA 413 CO -0.00 0.31 -0.25 -0.09 0.00 0.00 0.00 179.25 179.22 3iud h ARG 414 N 0.60 -0.66 0.00 0.00 2.43 -0.91 -1.61 114.38 114.23 3iud h ARG 414 Ca 0.16 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3iud h ARG 414 Cb -0.04 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3iud h ARG 414 CO -0.03 -0.44 -0.11 -0.39 -1.51 0.00 0.00 179.97 177.49 3iud h VAL 415 N -0.69 0.99 -0.39 0.20 -1.51 -1.19 0.13 116.25 113.79 3iud h VAL 415 Ca -0.07 -0.39 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 3iud h VAL 415 Cb 0.53 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 3iud h VAL 415 CO 0.10 0.11 0.18 0.00 -1.23 0.00 0.00 177.57 176.74 3iud h ALA 416 N 1.89 1.58 0.00 5.19 0.00 -0.87 0.18 119.26 127.23 3iud h ALA 416 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3iud h ALA 416 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3iud h ALA 416 CO 0.01 0.34 -0.12 0.00 0.00 0.00 0.00 179.25 179.48 3iud h ALA 417 N 1.66 0.93 -0.01 0.00 0.00 0.03 -3.25 119.26 118.62 3iud h ALA 417 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iud h ALA 417 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3iud h ALA 417 CO -0.02 0.15 -0.58 0.39 0.00 0.00 0.00 179.25 179.19 3iud n GLU 418 N -3.14 0.72 -5.10 0.00 1.02 0.02 -4.96 120.64 109.20 3iud n GLU 418 Ca 0.03 -0.56 -0.29 0.00 -0.02 0.00 0.00 57.16 56.31 3iud n GLU 418 Cb 0.54 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 3iud n GLU 418 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3iud s ARG 419 N -2.67 1.87 0.58 3.49 0.52 0.42 -5.06 118.95 118.10 3iud s ARG 419 Ca 0.16 -0.91 -0.20 0.00 -0.52 0.00 0.00 55.73 54.26 3iud s ARG 419 Cb 0.18 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.73 3iud s ARG 419 CO 0.65 0.50 1.12 -0.35 0.02 0.00 0.00 175.30 177.25 3iud n PRO 420 N 2.30 1.17 -1.72 3.54 -0.04 -1.26 -4.66 135.00 134.33 3iud n PRO 420 Ca -0.16 0.44 -0.34 0.00 -0.04 0.00 0.00 63.50 63.40 3iud n PRO 420 Cb 0.52 -2.32 0.06 0.00 -0.04 0.00 0.00 33.50 31.72 3iud n PRO 420 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iud s ALA 421 N -1.41 2.36 0.10 0.55 0.00 -1.26 -4.68 121.76 117.42 3iud s ALA 421 Ca 0.75 0.80 0.10 0.00 0.00 0.00 0.00 51.96 53.61 3iud s ALA 421 Cb -0.42 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 3iud s ALA 421 CO 0.47 -1.45 -0.26 -1.12 0.00 0.00 0.00 175.76 173.41 3iud s SER 422 N -2.08 3.11 0.05 0.00 0.01 -1.26 -5.10 113.70 108.44 3iud s SER 422 Ca 0.73 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 57.33 3iud s SER 422 Cb -0.26 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 3iud s SER 422 CO 0.40 0.18 0.04 0.68 0.41 0.00 0.00 173.24 174.95 3iud s VAL 423 N -1.00 4.33 0.25 3.43 -7.23 -1.26 -4.95 120.40 113.98 3iud s VAL 423 Ca 0.12 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 3iud s VAL 423 Cb -0.10 -3.04 -0.09 0.00 0.56 0.00 0.00 36.38 33.71 3iud s VAL 423 CO 0.05 0.21 1.25 0.00 -0.31 0.00 0.00 175.10 176.29 3iud s ALA 424 N -1.28 3.48 -0.36 1.32 0.00 -1.26 -4.75 121.76 118.91 3iud s ALA 424 Ca 0.25 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 3iud s ALA 424 Cb -0.12 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.58 3iud s ALA 424 CO 0.17 -0.46 1.18 0.20 0.00 0.00 0.00 175.76 176.85 3iud s GLY 425 N -0.18 1.40 0.00 0.00 0.00 0.84 -4.93 107.32 104.45 3iud s GLY 425 Ca 0.51 -0.13 0.26 0.00 0.00 0.00 0.00 44.72 45.36 3iud s GLY 425 CO 0.43 2.44 1.91 0.61 0.00 0.00 0.00 173.10 178.49