#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itl s PHE 4 N 0.00 2.28 0.27 -1.84 0.40 -1.26 -4.91 117.98 112.92 3itl s PHE 4 Ca 0.00 -1.40 -0.01 0.00 -0.60 0.00 0.00 56.93 54.91 3itl s PHE 4 Cb 0.00 -1.61 0.37 0.00 0.51 0.00 0.00 43.02 42.29 3itl s PHE 4 CO 0.00 -0.71 1.79 0.00 0.70 0.00 0.00 175.22 177.01 3itl h ARG 5 N 8.01 0.81 -5.23 0.44 2.47 -1.93 -3.40 114.38 115.55 3itl h ARG 5 Ca -0.33 -0.19 -0.62 0.00 -1.26 0.00 0.00 59.98 57.59 3itl h ARG 5 Cb 1.12 -0.11 -0.16 0.00 -1.65 0.00 0.00 29.97 29.17 3itl h ARG 5 CO 0.50 0.77 -0.55 0.42 0.56 0.00 0.00 179.97 181.66 3itl s ILE 6 N -5.10 4.89 0.11 2.04 -1.09 -1.26 -5.04 121.20 115.75 3itl s ILE 6 Ca -0.10 0.01 -0.34 0.00 -2.23 0.00 0.00 60.65 57.99 3itl s ILE 6 Cb 0.15 -3.23 -0.14 0.00 -1.58 0.00 0.00 42.46 37.67 3itl s ILE 6 CO 0.80 0.43 1.61 0.00 -1.23 0.00 0.00 174.94 176.56 3itl n ALA 7 N 3.74 1.12 0.12 9.38 0.00 -1.26 -4.86 120.51 128.74 3itl n ALA 7 Ca -0.16 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.80 3itl n ALA 7 Cb 0.52 -2.36 0.59 0.00 0.00 0.00 0.00 19.45 18.21 3itl n ALA 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3itl h GLN 8 N 6.37 0.15 0.00 0.00 4.20 -1.97 -1.10 115.11 122.77 3itl h GLN 8 Ca -0.46 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.15 3itl h GLN 8 Cb 1.26 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 3itl h GLN 8 CO 0.89 0.10 -0.46 0.38 -0.67 0.00 0.00 178.83 179.07 3itl h ASP 9 N 0.15 0.00 -0.20 1.46 -0.00 -1.99 -1.08 116.42 114.76 3itl h ASP 9 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 56.94 3itl h ASP 9 Cb 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.59 3itl h ASP 9 CO -0.02 0.46 -0.67 0.58 -0.00 0.00 0.00 179.24 179.59 3itl h VAL 10 N 0.00 1.28 -0.18 4.15 2.07 -1.58 -0.78 116.25 121.21 3itl h VAL 10 Ca -0.00 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 3itl h VAL 10 Cb 0.88 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3itl h VAL 10 CO 0.06 0.60 0.06 0.58 0.02 0.00 0.00 177.57 178.89 3itl h VAL 11 N 0.55 1.18 -0.58 2.57 2.07 -1.21 -0.70 116.25 120.13 3itl h VAL 11 Ca -0.03 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3itl h VAL 11 Cb 1.30 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3itl h VAL 11 CO 0.14 0.17 0.31 0.00 0.02 0.00 0.00 177.57 178.22 3itl h ALA 12 N 0.88 0.74 0.25 1.67 0.00 -1.21 -1.14 119.26 120.46 3itl h ALA 12 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3itl h ALA 12 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3itl h ALA 12 CO -0.00 0.27 -0.13 -0.09 0.00 0.00 0.00 179.25 179.30 3itl h ARG 13 N 0.78 -0.33 0.00 0.00 2.43 -0.96 0.04 114.38 116.34 3itl h ARG 13 Ca 0.20 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3itl h ARG 13 Cb 0.05 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3itl h ARG 13 CO -0.03 -0.22 0.00 0.93 -1.51 0.00 0.00 179.97 179.14 3itl h GLU 14 N -0.35 0.00 0.10 0.20 4.39 -1.04 -1.98 114.58 115.90 3itl h GLU 14 Ca -0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 3itl h GLU 14 Cb 0.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3itl h GLU 14 CO 0.05 0.00 -0.73 -0.91 -1.16 0.00 0.00 179.01 176.26 3itl h ASN 15 N 0.00 0.32 -0.66 1.42 -0.26 -0.87 -3.29 115.58 112.24 3itl h ASN 15 Ca 0.00 -0.93 0.00 0.00 -0.56 0.00 0.00 56.30 54.81 3itl h ASN 15 Cb 0.46 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 3itl h ASN 15 CO 0.00 1.34 0.43 0.44 -1.06 0.00 0.00 177.43 178.58 3itl h ASP 16 N -0.54 0.77 0.09 5.81 3.32 -0.80 0.12 116.42 125.19 3itl h ASP 16 Ca -0.14 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3itl h ASP 16 Cb 1.49 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3itl h ASP 16 CO 0.08 0.57 -0.06 -0.09 -1.72 0.00 0.00 179.24 178.03 3itl h ARG 17 N 0.91 0.00 -0.06 3.56 2.43 -1.46 -2.85 114.38 116.91 3itl h ARG 17 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3itl h ARG 17 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3itl h ARG 17 CO -0.05 0.06 0.00 0.54 -1.51 0.00 0.00 179.97 179.01 3itl n ARG 18 N -4.19 0.64 -0.15 0.20 1.74 -0.68 -4.74 116.66 109.48 3itl n ARG 18 Ca -0.03 -1.12 -0.05 0.00 -0.77 0.00 0.00 57.85 55.88 3itl n ARG 18 Cb 0.14 -1.14 0.04 0.00 -1.02 0.00 0.00 32.46 30.48 3itl n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3itl h ALA 19 N 1.28 0.59 -0.29 7.54 0.00 -0.55 -2.05 119.26 125.79 3itl h ALA 19 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3itl h ALA 19 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3itl h ALA 19 CO 0.00 -0.09 0.17 1.03 0.00 0.00 0.00 179.25 180.36 3itl h SER 20 N 0.49 0.35 -0.68 0.00 0.87 -1.85 -1.19 113.55 111.54 3itl h SER 20 Ca 0.20 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 3itl h SER 20 Cb 0.09 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3itl h SER 20 CO -0.13 0.30 0.16 0.00 -0.53 0.00 0.00 176.83 176.63 3itl h ALA 21 N 1.06 0.98 -0.69 6.23 0.00 -1.87 -2.37 119.26 122.60 3itl h ALA 21 Ca 0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3itl h ALA 21 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3itl h ALA 21 CO -0.02 0.66 0.17 1.25 0.00 0.00 0.00 179.25 181.31 3itl h LEU 22 N 1.04 1.03 -0.61 0.00 5.85 -1.13 -0.92 115.31 120.58 3itl h LEU 22 Ca 0.22 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3itl h LEU 22 Cb 0.38 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3itl h LEU 22 CO 0.00 0.98 0.36 0.50 -0.34 0.00 0.00 178.44 179.94 3itl h LYS 23 N 1.04 0.83 -0.27 1.25 3.64 -0.95 0.24 116.57 122.34 3itl h LYS 23 Ca 0.22 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3itl h LYS 23 Cb 0.36 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3itl h LYS 23 CO 0.00 0.61 0.09 0.93 -2.27 0.00 0.00 179.45 178.81 3itl h GLU 24 N 0.82 0.42 -0.49 1.90 4.39 -1.05 -1.16 114.58 119.41 3itl h GLU 24 Ca 0.22 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 3itl h GLU 24 Cb -0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3itl h GLU 24 CO -0.04 0.48 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.70 3itl h ASP 25 N 0.28 0.99 -0.36 1.42 3.32 -0.91 -1.85 116.42 119.31 3itl h ASP 25 Ca 0.09 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 3itl h ASP 25 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3itl h ASP 25 CO -0.00 1.14 0.02 0.22 -1.72 0.00 0.00 179.24 178.90 3itl h TYR 26 N 0.83 0.67 -0.45 4.55 3.20 -0.47 -0.85 116.97 124.46 3itl h TYR 26 Ca 0.12 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 3itl h TYR 26 Cb 0.72 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3itl h TYR 26 CO 0.05 0.71 -0.08 0.93 -1.64 0.00 0.00 178.16 178.13 3itl h GLU 27 N 0.45 0.79 -0.18 1.82 5.08 -1.20 0.84 114.58 122.18 3itl h GLU 27 Ca 0.11 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3itl h GLU 27 Cb 0.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3itl h GLU 27 CO 0.01 0.85 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 3itl h ALA 28 N 1.19 0.24 -0.59 3.43 0.00 -1.19 -1.70 119.26 120.64 3itl h ALA 28 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3itl h ALA 28 Cb 0.55 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3itl h ALA 28 CO 0.03 -0.06 0.18 1.25 0.00 0.00 0.00 179.25 180.66 3itl h LEU 29 N 0.06 0.82 -0.83 0.00 5.85 -0.98 -1.29 115.31 118.94 3itl h LEU 29 Ca 0.05 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3itl h LEU 29 Cb 0.38 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3itl h LEU 29 CO 0.01 0.78 0.44 1.23 -0.34 0.00 0.00 178.44 180.56 3itl h GLY 30 N 0.99 1.25 1.21 3.75 0.00 -0.64 -0.07 103.07 109.56 3itl h GLY 30 Ca 0.19 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 3itl h GLY 30 CO -0.01 0.55 -0.28 0.00 0.00 0.00 0.00 176.54 176.81 3itl h ALA 31 N 1.23 0.72 -0.37 3.60 0.00 -0.81 -0.42 119.26 123.21 3itl h ALA 31 Ca 0.29 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3itl h ALA 31 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3itl h ALA 31 CO -0.04 0.66 0.07 -0.97 0.00 0.00 0.00 179.25 178.97 3itl h ASN 32 N 0.76 0.57 -0.53 0.00 -0.73 -0.89 -1.98 115.58 112.78 3itl h ASN 32 Ca 0.09 -0.25 -0.09 0.00 1.87 0.00 0.00 56.30 57.92 3itl h ASN 32 Cb 0.84 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 3itl h ASN 32 CO 0.07 0.68 0.01 -0.07 -0.37 0.00 0.00 177.43 177.74 3itl h LEU 33 N 0.45 0.95 -1.09 0.34 3.38 -0.92 -2.41 115.31 116.01 3itl h LEU 33 Ca 0.11 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3itl h LEU 33 Cb 0.34 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3itl h LEU 33 CO 0.00 1.00 0.61 0.00 0.09 0.00 0.00 178.44 180.15 3itl h ALA 34 N 1.10 1.35 0.00 1.53 0.00 -0.88 0.20 119.26 122.55 3itl h ALA 34 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3itl h ALA 34 Cb 0.52 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3itl h ALA 34 CO 0.03 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.72 3itl h ARG 35 N 1.25 0.00 -0.49 0.00 3.08 -0.90 -1.68 114.38 115.65 3itl h ARG 35 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3itl h ARG 35 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3itl h ARG 35 CO -0.08 0.16 0.00 0.54 -1.07 0.00 0.00 179.97 179.53 3itl n ARG 36 N -3.70 2.17 -1.70 0.04 1.74 0.42 -4.92 116.66 110.71 3itl n ARG 36 Ca -0.02 -1.82 -0.07 0.00 -0.77 0.00 0.00 57.85 55.17 3itl n ARG 36 Cb 0.28 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 3itl n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itl n GLY 37 N 1.31 0.48 3.27 -0.13 0.00 -0.58 -5.03 105.19 104.50 3itl n GLY 37 Ca 0.17 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3itl n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itl s VAL 38 N -2.31 1.99 -0.46 1.61 1.01 0.34 -4.99 120.40 117.58 3itl s VAL 38 Ca 0.00 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 3itl s VAL 38 Cb 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.75 3itl s VAL 38 CO 0.00 0.56 0.56 -0.62 0.00 0.00 0.00 175.10 175.59 3itl s ASP 39 N -0.33 6.24 0.48 3.32 -1.08 -1.26 -2.83 116.67 121.20 3itl s ASP 39 Ca 0.02 -0.70 0.18 0.00 -0.52 0.00 0.00 52.55 51.54 3itl s ASP 39 Cb -0.12 -2.27 1.21 0.00 -1.46 0.00 0.00 42.92 40.28 3itl s ASP 39 CO 0.02 -0.75 2.01 -0.29 0.52 0.00 0.00 175.17 176.68 3itl h ILE 40 N 5.82 0.85 -0.64 4.11 2.10 -1.93 -1.10 117.51 126.72 3itl h ILE 40 Ca -0.27 -0.07 -0.06 0.00 1.08 0.00 0.00 64.86 65.55 3itl h ILE 40 Cb 1.10 0.64 -0.03 0.00 -1.09 0.00 0.00 36.82 37.45 3itl h ILE 40 CO 0.88 0.03 0.17 -0.08 -1.08 0.00 0.00 178.15 178.08 3itl h GLU 41 N 0.19 1.00 -0.28 2.19 4.57 -1.98 -0.85 114.58 119.42 3itl h GLU 41 Ca 0.22 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 3itl h GLU 41 Cb 0.63 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3itl h GLU 41 CO -0.04 0.88 -0.17 0.00 -1.18 0.00 0.00 179.01 178.50 3itl h ALA 42 N 1.22 1.18 -0.02 2.92 0.00 -1.62 -1.22 119.26 121.72 3itl h ALA 42 Ca 0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3itl h ALA 42 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3itl h ALA 42 CO -0.00 0.52 -0.05 0.28 0.00 0.00 0.00 179.25 180.00 3itl h VAL 43 N 0.46 1.46 -0.80 0.00 2.07 -1.27 -2.87 116.25 115.30 3itl h VAL 43 Ca 0.08 -1.43 0.07 0.00 0.82 0.00 0.00 66.70 66.24 3itl h VAL 43 Cb 0.57 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 3itl h VAL 43 CO 0.04 0.38 0.52 0.74 0.02 0.00 0.00 177.57 179.27 3itl h THR 44 N -0.48 1.04 -0.82 2.57 2.02 -1.07 -0.29 112.91 115.88 3itl h THR 44 Ca -0.00 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 3itl h THR 44 Cb 0.65 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3itl h THR 44 CO 0.01 0.16 0.37 0.00 0.37 0.00 0.00 175.52 176.43 3itl h ALA 45 N 1.57 1.11 -0.10 6.16 0.00 -1.20 -1.43 119.26 125.38 3itl h ALA 45 Ca 0.34 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 3itl h ALA 45 Cb 0.24 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3itl h ALA 45 CO -0.12 0.66 -0.86 0.87 0.00 0.00 0.00 179.25 179.79 3itl h LYS 46 N 1.18 0.72 -0.81 0.00 1.57 -1.04 -3.27 116.57 114.93 3itl h LYS 46 Ca 0.28 -0.65 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3itl h LYS 46 Cb 0.15 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 3itl h LYS 46 CO -0.03 1.25 0.50 0.28 -0.57 0.00 0.00 179.45 180.88 3itl h VAL 47 N 0.47 1.22 0.00 0.50 2.07 -0.83 -1.07 116.25 118.60 3itl h VAL 47 Ca -0.08 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3itl h VAL 47 Cb 1.50 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3itl h VAL 47 CO 0.17 0.23 0.00 -1.84 0.02 0.00 0.00 177.57 176.15 3itl n GLU 48 N -4.48 0.37 0.00 1.57 0.28 -0.56 -1.60 120.64 116.22 3itl n GLU 48 Ca 0.08 0.07 0.07 0.00 -0.16 0.00 0.00 57.16 57.23 3itl n GLU 48 Cb 0.05 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.46 3itl n GLU 48 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3itl n LYS 49 N -1.16 1.29 -3.14 3.44 5.02 -0.43 -4.94 118.16 118.23 3itl n LYS 49 Ca 0.10 -1.19 -0.40 0.00 -2.02 0.00 0.00 58.31 54.80 3itl n LYS 49 Cb 0.10 -1.26 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 3itl n LYS 49 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3itl s PHE 50 N -1.38 3.30 0.09 2.13 5.36 -0.63 -5.05 117.98 121.80 3itl s PHE 50 Ca 0.16 0.80 0.09 0.00 -0.96 0.00 0.00 56.93 57.02 3itl s PHE 50 Cb 0.12 -2.80 -0.03 0.00 -0.34 0.00 0.00 43.02 39.96 3itl s PHE 50 CO 0.24 -0.28 -0.24 -0.06 -1.46 0.00 0.00 175.22 173.42 3itl s PHE 51 N 2.33 2.03 -0.02 10.12 0.08 -1.26 -4.75 117.98 126.51 3itl s PHE 51 Ca 0.25 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.92 3itl s PHE 51 Cb -0.16 -1.14 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 3itl s PHE 51 CO 0.09 0.22 -0.03 0.54 -0.10 0.00 0.00 175.22 175.94 3itl s VAL 52 N -1.01 0.30 0.39 -0.44 0.11 -0.42 -4.70 120.40 114.62 3itl s VAL 52 Ca 0.10 -0.08 -0.24 0.00 -2.93 0.00 0.00 61.98 58.83 3itl s VAL 52 Cb -0.10 -0.30 -0.10 0.00 -1.53 0.00 0.00 36.38 34.35 3itl s VAL 52 CO 0.04 0.12 1.00 0.00 -3.33 0.00 0.00 175.10 172.93 3itl s ALA 53 N 0.38 3.10 -0.09 1.54 0.00 -0.06 -4.19 121.76 122.43 3itl s ALA 53 Ca -0.04 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 3itl s ALA 53 Cb -0.07 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3itl s ALA 53 CO -0.01 -0.05 0.12 0.14 0.00 0.00 0.00 175.76 175.96 3itl s VAL 54 N -1.77 5.21 -0.19 0.00 -7.23 -0.80 -0.60 120.40 115.02 3itl s VAL 54 Ca 0.57 0.01 -0.27 0.00 -1.81 0.00 0.00 61.98 60.48 3itl s VAL 54 Cb -0.18 -3.30 -0.00 0.00 0.56 0.00 0.00 36.38 33.46 3itl s VAL 54 CO 0.23 0.55 0.94 -2.16 -0.31 0.00 0.00 175.10 174.35 3itl s PRO 55 N -1.21 4.29 0.38 4.82 0.04 -1.24 -0.55 135.00 141.53 3itl s PRO 55 Ca 0.17 1.20 0.12 0.00 0.04 0.00 0.00 61.00 62.52 3itl s PRO 55 Cb -0.12 -3.60 0.91 0.00 0.04 0.00 0.00 34.50 31.72 3itl s PRO 55 CO 0.07 -0.47 1.89 0.66 0.04 0.00 0.00 177.00 179.19 3itl h SER 56 N 7.39 0.55 0.49 6.66 4.64 -1.74 0.43 113.55 131.97 3itl h SER 56 Ca -0.25 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3itl h SER 56 Cb 1.10 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3itl h SER 56 CO 0.90 0.28 0.00 -2.67 -0.87 0.00 0.00 176.83 174.47 3itl n TRP 57 N -4.53 0.00 0.81 4.77 2.14 -1.26 -2.58 117.44 116.79 3itl n TRP 57 Ca 0.16 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.85 3itl n TRP 57 Cb 0.49 -0.30 0.12 0.00 -0.81 0.00 0.00 31.31 30.81 3itl n TRP 57 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3itl n GLY 58 N 0.83 1.09 0.15 -1.67 0.00 0.14 -4.19 105.19 101.53 3itl n GLY 58 Ca 0.11 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.49 3itl n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3itl h VAL 59 N 4.49 0.78 -1.75 1.61 2.07 -1.48 -3.43 116.25 118.53 3itl h VAL 59 Ca 0.00 -2.10 -0.44 0.00 0.82 0.00 0.00 66.70 64.98 3itl h VAL 59 Cb 0.96 2.38 0.01 0.00 -1.52 0.00 0.00 31.29 33.12 3itl h VAL 59 CO 0.00 0.44 -0.33 -0.83 0.02 0.00 0.00 177.57 176.87 3itl s GLY 60 N -4.44 1.66 0.26 2.17 0.00 -1.26 -4.63 107.32 101.07 3itl s GLY 60 Ca 0.04 -1.50 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 3itl s GLY 60 CO 0.74 -1.40 1.32 -1.59 0.00 0.00 0.00 173.10 172.17 3itl s THR 61 N -2.21 2.95 0.53 0.90 2.01 -1.26 -4.64 115.64 113.92 3itl s THR 61 Ca 0.46 0.85 0.05 0.00 0.31 0.00 0.00 61.69 63.36 3itl s THR 61 Cb -0.09 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.92 3itl s THR 61 CO 0.31 0.16 0.73 -0.83 -0.69 0.00 0.00 174.62 174.30 3itl s GLY 62 N 0.01 1.85 0.30 4.40 0.00 -0.19 -4.94 107.32 108.75 3itl s GLY 62 Ca 0.54 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 3itl s GLY 62 CO 0.44 -1.30 0.44 0.61 0.00 0.00 0.00 173.10 173.29 3itl n GLY 63 N -2.21 2.12 3.02 0.20 0.00 -1.26 -4.18 105.19 102.88 3itl n GLY 63 Ca 0.10 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 3itl n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3itl n THR 64 N -0.47 0.00 0.52 2.61 -2.24 -0.61 -5.00 114.28 109.09 3itl n THR 64 Ca -0.01 -1.94 0.08 0.00 -2.27 0.00 0.00 64.05 59.92 3itl n THR 64 Cb 0.49 0.30 0.36 0.00 -2.10 0.00 0.00 70.33 69.37 3itl n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3itl n ARG 65 N -1.14 0.03 -0.04 -0.78 1.85 -1.26 -2.85 116.66 112.47 3itl n ARG 65 Ca -0.14 0.26 -0.09 0.00 -1.00 0.00 0.00 57.85 56.87 3itl n ARG 65 Cb 0.53 -1.56 -0.14 0.00 -1.05 0.00 0.00 32.46 30.23 3itl n ARG 65 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3itl n PHE 66 N -1.62 0.80 -3.62 2.89 3.72 -1.26 -5.05 117.46 113.32 3itl n PHE 66 Ca 0.04 0.29 -0.01 0.00 -0.05 0.00 0.00 57.45 57.71 3itl n PHE 66 Cb 0.19 -1.15 -0.02 0.00 -0.94 0.00 0.00 39.48 37.57 3itl n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3itl s ALA 67 N -2.58 -2.27 -0.05 4.37 0.00 -1.13 -5.14 121.76 114.96 3itl s ALA 67 Ca -0.06 1.69 0.03 0.00 0.00 0.00 0.00 51.96 53.62 3itl s ALA 67 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3itl s ALA 67 CO 0.83 -0.66 -0.14 1.03 0.00 0.00 0.00 175.76 176.81 3itl s ARG 68 N -2.05 1.58 -0.60 0.00 0.52 -1.26 -1.57 118.95 115.58 3itl s ARG 68 Ca 0.12 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 3itl s ARG 68 Cb 0.01 -1.36 0.20 0.00 0.52 0.00 0.00 34.95 34.31 3itl s ARG 68 CO -0.03 0.15 0.52 1.19 0.02 0.00 0.00 175.30 177.15 3itl n PHE 69 N 3.38 2.07 -1.65 -0.53 3.72 -1.26 -5.09 117.46 118.10 3itl n PHE 69 Ca -0.20 -3.99 -0.37 0.00 -0.05 0.00 0.00 57.45 52.85 3itl n PHE 69 Cb 0.53 -0.39 0.08 0.00 -0.94 0.00 0.00 39.48 38.76 3itl n PHE 69 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3itl n PRO 70 N 1.84 1.00 -0.14 -1.08 -0.04 -1.26 -4.96 135.00 130.36 3itl n PRO 70 Ca 0.24 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 3itl n PRO 70 Cb 0.41 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 3itl n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3itl n GLY 71 N 0.87 1.82 3.88 0.55 0.00 -1.26 -5.10 105.19 105.95 3itl n GLY 71 Ca 0.16 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 3itl n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3itl s THR 72 N 1.79 4.81 -1.51 2.61 -4.23 -1.26 -4.24 115.64 113.61 3itl s THR 72 Ca 0.00 0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 3itl s THR 72 Cb 0.00 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 70.12 3itl s THR 72 CO 0.00 -0.48 0.66 0.61 -0.54 0.00 0.00 174.62 174.88 3itl n GLY 73 N -1.20 -0.50 3.77 3.99 0.00 -1.26 -4.77 105.19 105.23 3itl n GLY 73 Ca 0.02 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3itl n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3itl s GLU 74 N -5.75 4.18 0.33 1.61 0.41 -1.26 -4.72 118.70 113.50 3itl s GLU 74 Ca 0.33 2.47 -0.29 0.00 -0.41 0.00 0.00 54.97 57.07 3itl s GLU 74 Cb -0.15 -3.00 -0.11 0.00 -1.78 0.00 0.00 34.13 29.09 3itl s GLU 74 CO 0.41 -0.45 1.43 -1.25 -0.49 0.00 0.00 175.26 174.90 3itl s PRO 75 N -1.82 4.23 0.39 0.39 0.04 -1.26 -4.84 135.00 132.13 3itl s PRO 75 Ca 0.53 2.39 0.23 0.00 0.04 0.00 0.00 61.00 64.19 3itl s PRO 75 Cb -0.45 -3.04 0.36 0.00 0.04 0.00 0.00 34.50 31.41 3itl s PRO 75 CO 0.59 -0.40 1.57 0.00 0.04 0.00 0.00 177.00 178.79 3itl h ARG 76 N 3.75 0.00 0.00 4.56 3.08 -1.93 -3.48 114.38 120.35 3itl h ARG 76 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3itl h ARG 76 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3itl h ARG 76 CO 0.69 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 180.00 3itl n GLY 77 N 1.13 0.79 0.35 0.04 0.00 -1.26 -5.02 105.19 101.23 3itl n GLY 77 Ca 0.04 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.26 3itl n GLY 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3itl h ILE 78 N 0.95 1.08 -0.47 -0.61 6.09 -1.92 -1.17 117.51 121.47 3itl h ILE 78 Ca 0.00 -0.28 -0.10 0.00 -1.37 0.00 0.00 64.86 63.11 3itl h ILE 78 Cb 0.00 0.19 -0.02 0.00 0.47 0.00 0.00 36.82 37.46 3itl h ILE 78 CO 0.00 0.15 -0.10 -0.26 -3.07 0.00 0.00 178.15 174.87 3itl h PHE 79 N 0.82 0.94 -0.28 2.19 0.04 -1.97 0.18 116.94 118.86 3itl h PHE 79 Ca 0.29 -0.17 -0.14 0.00 2.80 0.00 0.00 57.97 60.74 3itl h PHE 79 Cb 0.11 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 3itl h PHE 79 CO -0.00 0.90 -0.41 -0.44 -0.60 0.00 0.00 178.31 177.76 3itl h ASP 80 N 0.77 0.72 -0.71 2.17 3.32 -1.84 -2.10 116.42 118.75 3itl h ASP 80 Ca 0.13 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 3itl h ASP 80 Cb 0.60 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3itl h ASP 80 CO 0.04 1.04 0.34 0.11 -1.72 0.00 0.00 179.24 179.04 3itl h LYS 81 N 0.55 1.03 -0.66 3.56 1.57 -0.66 -1.18 116.57 120.78 3itl h LYS 81 Ca 0.04 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3itl h LYS 81 Cb 0.94 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3itl h LYS 81 CO 0.09 0.82 0.24 -0.07 -0.57 0.00 0.00 179.45 179.95 3itl h LEU 82 N 1.00 0.94 -0.77 2.94 3.38 -0.48 0.26 115.31 122.58 3itl h LEU 82 Ca 0.24 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3itl h LEU 82 Cb 0.13 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3itl h LEU 82 CO -0.03 0.88 0.47 0.44 0.09 0.00 0.00 178.44 180.28 3itl h ASP 83 N 0.95 0.73 0.10 -0.43 3.32 -0.79 -0.42 116.42 119.88 3itl h ASP 83 Ca 0.22 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 3itl h ASP 83 Cb 0.25 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3itl h ASP 83 CO -0.01 0.48 -0.58 0.44 -1.72 0.00 0.00 179.24 177.85 3itl h ASP 84 N 0.87 0.56 0.24 6.45 3.32 -0.83 -2.84 116.42 124.19 3itl h ASP 84 Ca 0.33 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3itl h ASP 84 Cb 0.14 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3itl h ASP 84 CO -0.16 1.01 -0.22 0.00 -1.72 0.00 0.00 179.24 178.15 3itl h ALA 86 N 1.78 1.49 -0.28 0.00 0.00 -0.85 -2.03 119.26 119.38 3itl h ALA 86 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3itl h ALA 86 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3itl h ALA 86 CO 0.03 0.37 -0.09 0.28 0.00 0.00 0.00 179.25 179.84 3itl h VAL 87 N 0.44 1.29 -0.46 0.00 2.07 -1.38 0.17 116.25 118.39 3itl h VAL 87 Ca 0.10 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.52 3itl h VAL 87 Cb 0.24 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3itl h VAL 87 CO 0.00 0.36 0.25 0.40 0.02 0.00 0.00 177.57 178.60 3itl h ILE 88 N 0.30 1.00 -0.47 4.57 2.04 -1.34 -1.19 117.51 122.42 3itl h ILE 88 Ca 0.07 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 3itl h ILE 88 Cb 0.57 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3itl h ILE 88 CO 0.03 0.09 -0.18 -0.61 0.00 0.00 0.00 178.15 177.48 3itl h GLN 89 N 0.49 0.95 -0.78 2.37 5.75 -1.31 -0.67 115.11 121.91 3itl h GLN 89 Ca 0.19 -0.39 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 3itl h GLN 89 Cb 0.07 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 3itl h GLN 89 CO -0.12 1.06 0.43 0.37 -2.65 0.00 0.00 178.83 177.92 3itl h GLN 90 N 0.79 1.09 0.14 1.69 4.15 -0.55 0.29 115.11 122.72 3itl h GLN 90 Ca 0.11 -0.13 -0.32 0.00 0.77 0.00 0.00 58.65 59.08 3itl h GLN 90 Cb 0.75 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 3itl h GLN 90 CO 0.06 0.81 -1.59 -0.07 -1.93 0.00 0.00 178.83 176.11 3itl h LEU 91 N 1.09 0.45 0.00 -2.39 3.38 -1.20 -3.35 115.31 113.28 3itl h LEU 91 Ca 0.28 -0.64 -0.28 0.00 0.09 0.00 0.00 57.88 57.32 3itl h LEU 91 Cb 0.03 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3itl h LEU 91 CO -0.04 1.54 -1.98 0.35 0.09 0.00 0.00 178.44 178.40 3itl n THR 92 N -3.49 1.33 -1.52 0.22 -2.24 -0.26 -1.32 114.28 107.00 3itl n THR 92 Ca -0.19 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 60.63 3itl n THR 92 Cb 1.05 -0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 68.54 3itl n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3itl n ARG 93 N -2.83 -1.53 -0.03 -0.78 5.12 0.10 -4.76 116.66 111.95 3itl n ARG 93 Ca -0.22 1.13 0.02 0.00 -1.93 0.00 0.00 57.85 56.85 3itl n ARG 93 Cb 1.03 -5.53 0.03 0.00 -1.16 0.00 0.00 32.46 26.84 3itl n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3itl n ALA 94 N 1.33 2.34 -3.08 7.54 0.00 -1.26 -4.79 120.51 122.59 3itl n ALA 94 Ca -0.18 -0.73 -0.22 0.00 0.00 0.00 0.00 53.44 52.32 3itl n ALA 94 Cb 0.66 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3itl n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3itl n THR 95 N 0.13 1.21 0.29 0.00 -2.24 -1.26 -1.30 114.28 111.11 3itl n THR 95 Ca 0.03 -5.01 0.18 0.00 -2.27 0.00 0.00 64.05 56.98 3itl n THR 95 Cb 0.19 -0.74 0.83 0.00 -2.10 0.00 0.00 70.33 68.51 3itl n THR 95 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3itl h PRO 96 N 2.99 0.00 -6.75 -0.78 0.13 -1.87 -3.40 132.00 122.33 3itl h PRO 96 Ca 0.11 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.56 3itl h PRO 96 Cb 0.77 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.71 3itl h PRO 96 CO 0.64 0.02 -0.81 -0.80 -0.23 0.00 0.00 178.00 176.81 3itl s ASN 97 N -5.59 3.81 -0.02 1.44 0.01 -1.26 0.14 114.94 113.47 3itl s ASN 97 Ca -0.01 -0.58 0.07 0.00 -0.71 0.00 0.00 52.86 51.62 3itl s ASN 97 Cb 0.10 -0.50 -0.02 0.00 0.41 0.00 0.00 41.25 41.24 3itl s ASN 97 CO 0.51 0.18 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.38 3itl s VAL 98 N -1.13 2.45 -0.22 1.60 1.01 0.07 -1.91 120.40 122.27 3itl s VAL 98 Ca 0.17 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 3itl s VAL 98 Cb -0.10 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3itl s VAL 98 CO 0.10 0.54 0.34 -0.44 0.00 0.00 0.00 175.10 175.64 3itl s SER 99 N -0.78 6.35 0.16 3.32 0.01 0.29 -0.88 113.70 122.17 3itl s SER 99 Ca 0.11 0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.75 3itl s SER 99 Cb -0.10 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 3itl s SER 99 CO 0.00 -0.05 0.36 -0.76 0.41 0.00 0.00 173.24 173.20 3itl s LEU 100 N 1.31 4.26 -0.11 2.44 1.43 -1.25 -1.83 118.68 124.92 3itl s LEU 100 Ca 0.16 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3itl s LEU 100 Cb -0.14 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 42.91 3itl s LEU 100 CO 0.07 0.02 -0.14 -2.28 0.23 0.00 0.00 176.35 174.25 3itl s HIS 101 N -1.75 1.90 -0.08 0.29 2.46 -1.26 -1.53 115.29 115.32 3itl s HIS 101 Ca 0.39 -0.92 -0.01 0.00 0.47 0.00 0.00 55.06 54.98 3itl s HIS 101 Cb -0.12 -1.40 -0.03 0.00 -0.13 0.00 0.00 32.58 30.90 3itl s HIS 101 CO 0.27 -0.50 -0.03 0.42 -2.47 0.00 0.00 174.74 172.43 3itl s ILE 102 N 1.16 4.00 -2.13 0.89 -1.09 -0.61 0.51 121.20 123.93 3itl s ILE 102 Ca -0.03 -0.36 0.23 0.00 -2.23 0.00 0.00 60.65 58.25 3itl s ILE 102 Cb -0.14 -2.67 0.58 0.00 -1.58 0.00 0.00 42.46 38.65 3itl s ILE 102 CO -0.04 0.59 1.76 -0.81 -1.23 0.00 0.00 174.94 175.22 3itl n PRO 103 N 2.28 1.28 -0.30 2.79 -0.04 -1.26 -2.27 135.00 137.47 3itl n PRO 103 Ca -0.18 -0.41 0.10 0.00 -0.04 0.00 0.00 63.50 62.97 3itl n PRO 103 Cb 0.53 -1.38 0.27 0.00 -0.04 0.00 0.00 33.50 32.88 3itl n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3itl h TRP 104 N 0.88 0.76 -0.50 0.54 6.55 -1.86 -1.56 115.95 120.76 3itl h TRP 104 Ca 0.00 0.04 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 3itl h TRP 104 Cb 0.19 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 3itl h TRP 104 CO 0.03 0.10 0.02 -0.25 -1.05 0.00 0.00 178.44 177.28 3itl n ASP 105 N -4.93 5.18 -4.74 -3.49 8.00 0.18 -4.80 116.55 111.96 3itl n ASP 105 Ca 0.20 -2.99 -0.42 0.00 0.71 0.00 0.00 54.79 52.29 3itl n ASP 105 Cb 0.53 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 3itl n ASP 105 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3itl s LYS 106 N -2.81 4.16 0.01 -1.24 2.20 -0.59 -4.94 119.74 116.54 3itl s LYS 106 Ca 0.51 2.50 -0.29 0.00 -0.36 0.00 0.00 55.97 58.33 3itl s LYS 106 Cb 0.40 -3.07 0.11 0.00 -1.51 0.00 0.00 37.83 33.76 3itl s LYS 106 CO 0.14 -0.61 1.24 0.00 -0.36 0.00 0.00 175.35 175.76 3itl s ALA 107 N 0.41 -2.18 -0.16 3.13 0.00 -1.26 -5.02 121.76 116.68 3itl s ALA 107 Ca 0.66 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.80 3itl s ALA 107 Cb -0.46 0.48 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 3itl s ALA 107 CO 0.41 -1.07 2.09 -3.47 0.00 0.00 0.00 175.76 173.73 3itl n ASP 108 N -0.60 3.27 -0.30 0.00 2.03 -1.26 -4.82 116.55 114.86 3itl n ASP 108 Ca -0.06 0.55 0.13 0.00 0.52 0.00 0.00 54.79 55.93 3itl n ASP 108 Cb 0.62 -1.45 0.38 0.00 -0.72 0.00 0.00 41.12 39.95 3itl n ASP 108 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3itl h PRO 109 N 12.37 0.66 -0.57 -0.67 0.11 -1.96 -0.50 132.00 141.43 3itl h PRO 109 Ca -0.42 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3itl h PRO 109 Cb 1.26 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3itl h PRO 109 CO 0.96 0.44 0.10 0.87 -0.21 0.00 0.00 178.00 180.16 3itl h LYS 110 N 0.68 0.91 -0.09 1.05 1.57 -1.88 -1.23 116.57 117.58 3itl h LYS 110 Ca 0.49 -0.22 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 3itl h LYS 110 Cb 0.85 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3itl h LYS 110 CO -0.25 0.84 -0.70 0.93 -0.57 0.00 0.00 179.45 179.71 3itl h GLU 111 N 0.87 0.42 -0.36 3.15 5.08 -1.52 -1.56 114.58 120.67 3itl h GLU 111 Ca 0.18 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3itl h GLU 111 Cb 0.37 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3itl h GLU 111 CO 0.01 0.96 0.16 -0.07 -1.00 0.00 0.00 179.01 179.06 3itl h LEU 112 N 0.29 0.48 -0.72 1.33 3.38 -0.89 0.11 115.31 119.30 3itl h LEU 112 Ca -0.02 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3itl h LEU 112 Cb 1.26 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3itl h LEU 112 CO 0.12 0.50 0.19 0.50 0.09 0.00 0.00 178.44 179.84 3itl h LYS 113 N 0.43 1.14 -0.17 1.13 1.63 -1.18 0.55 116.57 120.10 3itl h LYS 113 Ca 0.12 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3itl h LYS 113 Cb 0.16 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 3itl h LYS 113 CO -0.01 0.99 0.09 0.00 -3.45 0.00 0.00 179.45 177.08 3itl h ALA 114 N 1.10 0.22 -0.62 5.00 0.00 -0.96 0.61 119.26 124.61 3itl h ALA 114 Ca 0.23 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3itl h ALA 114 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3itl h ALA 114 CO -0.00 -0.25 0.12 -0.09 0.00 0.00 0.00 179.25 179.04 3itl h ARG 115 N 0.18 1.00 0.01 0.00 9.65 -0.77 -1.66 114.38 122.80 3itl h ARG 115 Ca 0.06 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 3itl h ARG 115 Cb 0.07 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3itl h ARG 115 CO -0.01 0.93 -0.01 0.78 2.80 0.00 0.00 179.97 184.46 3itl h GLY 116 N 0.92 -0.02 0.79 2.80 0.00 -0.62 -1.22 103.07 105.71 3itl h GLY 116 Ca 0.19 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.57 3itl h GLY 116 CO 0.01 -0.01 0.44 -0.55 0.00 0.00 0.00 176.54 176.43 3itl h ASP 117 N -0.02 0.70 0.04 0.19 3.32 -0.72 0.14 116.42 120.07 3itl h ASP 117 Ca -0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3itl h ASP 117 Cb 0.02 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3itl h ASP 117 CO 0.00 0.47 -0.15 0.00 -1.72 0.00 0.00 179.24 177.84 3itl h ALA 118 N 1.33 1.47 -0.00 3.45 0.00 -1.03 -2.63 119.26 121.86 3itl h ALA 118 Ca 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3itl h ALA 118 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3itl h ALA 118 CO -0.14 0.37 -0.42 1.28 0.00 0.00 0.00 179.25 180.35 3itl n LEU 119 N -4.25 0.75 -0.00 0.00 4.77 -0.48 -3.10 117.00 114.67 3itl n LEU 119 Ca -0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3itl n LEU 119 Cb 0.28 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3itl n LEU 119 CO 0.38 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3itl n GLY 120 N 1.43 0.40 3.40 -0.72 0.00 -0.13 -4.88 105.19 104.68 3itl n GLY 120 Ca 0.08 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 3itl n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3itl s LEU 121 N -0.01 2.38 0.00 0.99 1.43 0.32 -4.89 118.68 118.90 3itl s LEU 121 Ca 0.00 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3itl s LEU 121 Cb 0.00 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.84 3itl s LEU 121 CO 0.00 0.27 0.24 0.61 0.23 0.00 0.00 176.35 177.70 3itl n GLY 122 N 1.78 3.00 3.15 -3.19 0.00 0.12 -3.90 105.19 106.15 3itl n GLY 122 Ca -0.17 -2.28 -0.28 0.00 0.00 0.00 0.00 46.02 43.30 3itl n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itl s PHE 123 N -2.05 1.93 0.00 1.61 0.08 -1.26 -0.75 117.98 117.54 3itl s PHE 123 Ca 0.18 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.59 3itl s PHE 123 Cb -0.01 -1.31 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 3itl s PHE 123 CO 0.12 -0.25 0.00 -3.47 -0.10 0.00 0.00 175.22 171.52 3itl n ASP 124 N 3.33 0.00 -4.67 1.36 2.03 -0.06 -4.31 116.55 114.23 3itl n ASP 124 Ca -0.19 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.69 3itl n ASP 124 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 3itl n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3itl n ALA 125 N -3.00 0.96 -1.82 -1.67 0.00 -1.26 -4.58 120.51 109.14 3itl n ALA 125 Ca 0.00 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 3itl n ALA 125 Cb 0.00 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.19 3itl n ALA 125 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3itl s MET 126 N -1.76 4.06 -0.16 0.00 -1.94 0.40 -3.91 119.30 115.98 3itl s MET 126 Ca 0.56 1.11 0.00 0.00 -1.71 0.00 0.00 55.69 55.66 3itl s MET 126 Cb -0.60 -2.15 0.02 0.00 2.01 0.00 0.00 34.83 34.11 3itl s MET 126 CO 0.61 -0.18 -0.15 -0.80 -0.01 0.00 0.00 175.02 174.50 3itl s ASN 127 N -2.41 2.80 0.57 3.03 0.01 -0.58 -0.29 114.94 118.07 3itl s ASN 127 Ca 0.62 -0.54 -0.09 0.00 -0.71 0.00 0.00 52.86 52.14 3itl s ASN 127 Cb -0.11 -1.22 -0.04 0.00 0.41 0.00 0.00 41.25 40.30 3itl s ASN 127 CO 0.20 -0.06 0.94 -0.94 -1.51 0.00 0.00 177.10 175.73 3itl s SER 128 N 1.45 6.22 -0.30 -1.22 1.04 -1.13 -1.57 113.70 118.19 3itl s SER 128 Ca 0.04 1.23 -0.02 0.00 0.48 0.00 0.00 55.95 57.68 3itl s SER 128 Cb -0.13 -2.37 0.10 0.00 0.10 0.00 0.00 66.02 63.72 3itl s SER 128 CO -0.11 -0.78 0.12 0.21 0.98 0.00 0.00 173.24 173.67 3itl s ASN 129 N -4.16 3.73 -0.23 7.02 3.84 -0.96 -4.64 114.94 119.53 3itl s ASN 129 Ca 0.52 -1.49 0.13 0.00 0.21 0.00 0.00 52.86 52.23 3itl s ASN 129 Cb -0.11 -0.58 0.46 0.00 -0.55 0.00 0.00 41.25 40.47 3itl s ASN 129 CO 0.51 -0.42 1.18 0.35 -2.79 0.00 0.00 177.10 175.92 3itl n THR 130 N 5.01 1.94 -0.04 -5.21 -2.24 -1.26 -4.62 114.28 107.85 3itl n THR 130 Ca -0.03 -3.38 0.02 0.00 -2.27 0.00 0.00 64.05 58.38 3itl n THR 130 Cb 0.42 -0.21 0.04 0.00 -2.10 0.00 0.00 70.33 68.48 3itl n THR 130 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3itl n PHE 131 N -0.66 0.12 -3.58 4.78 1.16 -1.26 -4.58 117.46 113.44 3itl n PHE 131 Ca 0.27 -0.48 -0.13 0.00 -1.87 0.00 0.00 57.45 55.24 3itl n PHE 131 Cb 0.89 -0.04 -0.05 0.00 -1.61 0.00 0.00 39.48 38.66 3itl n PHE 131 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3itl s SER 132 N -0.96 -0.41 -0.04 5.98 1.04 -1.26 -4.94 113.70 113.10 3itl s SER 132 Ca 0.06 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.50 3itl s SER 132 Cb 0.03 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 3itl s SER 132 CO 0.04 -0.74 0.27 -1.81 0.98 0.00 0.00 173.24 171.99 3itl s ASP 133 N -2.08 6.56 0.29 7.02 1.01 -1.26 -4.86 116.67 123.35 3itl s ASP 133 Ca -0.04 0.66 0.07 0.00 0.71 0.00 0.00 52.55 53.95 3itl s ASP 133 Cb -0.00 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 3itl s ASP 133 CO -0.03 0.33 0.32 0.00 0.21 0.00 0.00 175.17 176.00 3itl s ALA 134 N -1.13 3.88 0.25 5.23 0.00 -1.26 -5.05 121.76 123.68 3itl s ALA 134 Ca 0.22 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.41 3itl s ALA 134 Cb -0.14 -1.44 -0.13 0.00 0.00 0.00 0.00 23.12 21.42 3itl s ALA 134 CO 0.11 0.12 1.46 -2.30 0.00 0.00 0.00 175.76 175.14 3itl n PRO 135 N -1.38 2.21 -1.05 0.00 -0.02 -1.26 -2.10 135.00 131.40 3itl n PRO 135 Ca -0.05 0.79 -0.02 0.00 -2.02 0.00 0.00 63.50 62.20 3itl n PRO 135 Cb 0.58 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3itl n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3itl n GLY 136 N 2.19 0.38 3.72 -1.23 0.00 -1.26 -4.96 105.19 104.03 3itl n GLY 136 Ca 0.11 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3itl n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3itl s GLN 137 N -1.33 4.27 0.10 1.61 0.74 -0.89 -4.93 119.66 119.23 3itl s GLN 137 Ca 0.00 2.23 -0.16 0.00 0.05 0.00 0.00 55.36 57.49 3itl s GLN 137 Cb 0.00 -3.18 -0.06 0.00 1.10 0.00 0.00 33.01 30.87 3itl s GLN 137 CO 0.00 -0.50 1.50 0.00 -0.55 0.00 0.00 175.29 175.74 3itl h ALA 138 N 6.45 0.45 -3.98 1.58 0.00 -1.93 -3.44 119.26 118.39 3itl h ALA 138 Ca -0.43 -0.30 -0.67 0.00 0.00 0.00 0.00 54.91 53.51 3itl h ALA 138 Cb 1.21 -0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.57 3itl h ALA 138 CO 0.87 0.30 -0.88 -1.01 0.00 0.00 0.00 179.25 178.53 3itl s HIS 139 N -4.75 2.32 0.38 0.00 3.76 -1.26 -5.13 115.29 110.61 3itl s HIS 139 Ca -0.13 -0.69 -0.21 0.00 -0.15 0.00 0.00 55.06 53.87 3itl s HIS 139 Cb 0.09 -1.53 -0.10 0.00 1.11 0.00 0.00 32.58 32.15 3itl s HIS 139 CO 0.79 -0.21 0.91 0.45 -0.85 0.00 0.00 174.74 175.83 3itl s SER 140 N -0.12 7.02 -0.17 1.40 0.15 -1.26 -4.97 113.70 115.74 3itl s SER 140 Ca -0.04 1.66 0.15 0.00 0.70 0.00 0.00 55.95 58.42 3itl s SER 140 Cb -0.13 -2.52 0.74 0.00 -1.71 0.00 0.00 66.02 62.39 3itl s SER 140 CO 0.04 -0.26 1.64 -1.22 1.20 0.00 0.00 173.24 174.64 3itl n TYR 141 N -0.27 1.74 -0.26 3.44 4.01 -1.26 -4.54 117.16 120.01 3itl n TYR 141 Ca 0.05 -0.63 0.05 0.00 -0.16 0.00 0.00 57.90 57.20 3itl n TYR 141 Cb 0.53 -0.38 0.18 0.00 -0.31 0.00 0.00 39.34 39.36 3itl n TYR 141 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3itl h LYS 142 N 3.84 0.51 -0.53 -0.72 3.64 -1.94 -1.78 116.57 119.59 3itl h LYS 142 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3itl h LYS 142 Cb 1.69 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 3itl h LYS 142 CO 0.36 0.34 0.00 0.66 -2.27 0.00 0.00 179.45 178.54 3itl n TYR 143 N -4.94 1.62 0.00 1.91 4.01 -1.26 -5.05 117.16 113.45 3itl n TYR 143 Ca 0.14 -0.72 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 3itl n TYR 143 Cb 0.39 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3itl n TYR 143 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itl n GLY 144 N 0.54 1.39 0.00 2.72 0.00 -0.67 -4.66 105.19 104.51 3itl n GLY 144 Ca 0.25 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3itl n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itl n SER 145 N 0.00 0.00 0.31 1.61 3.41 -1.26 -4.25 113.62 113.44 3itl n SER 145 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 3itl n SER 145 Cb 0.00 0.00 0.99 0.00 -0.26 0.00 0.00 64.21 64.94 3itl n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3itl h LEU 146 N 0.00 0.00 -2.98 1.04 3.38 -1.87 -2.45 115.31 112.42 3itl h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3itl h LEU 146 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3itl h LEU 146 CO 0.00 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 3itl n SER 147 N -3.30 2.61 -4.72 -0.43 3.41 -1.26 -3.85 113.62 106.07 3itl n SER 147 Ca -0.02 -2.23 -0.38 0.00 -0.26 0.00 0.00 58.87 55.97 3itl n SER 147 Cb 0.15 -0.20 0.05 0.00 -0.26 0.00 0.00 64.21 63.95 3itl n SER 147 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3itl n HIS 148 N -0.22 2.04 0.23 7.33 -0.00 -0.92 -4.80 115.22 118.89 3itl n HIS 148 Ca 0.09 0.43 0.09 0.00 -0.00 0.00 0.00 57.72 58.33 3itl n HIS 148 Cb 0.43 -2.32 0.56 0.00 -0.00 0.00 0.00 29.99 28.66 3itl n HIS 148 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 3itl h THR 149 N 1.16 0.76 -3.32 3.57 1.35 -1.91 -3.42 112.91 111.10 3itl h THR 149 Ca -0.50 -0.89 -0.59 0.00 -0.55 0.00 0.00 66.41 63.87 3itl h THR 149 Cb 1.32 1.55 -0.08 0.00 -1.73 0.00 0.00 68.15 69.20 3itl h THR 149 CO 0.56 0.21 0.58 0.21 -0.25 0.00 0.00 175.52 176.83 3itl s ASN 150 N -6.38 6.83 0.23 5.36 2.47 -1.26 -4.95 114.94 117.23 3itl s ASN 150 Ca -0.02 0.95 -0.07 0.00 0.42 0.00 0.00 52.86 54.14 3itl s ASN 150 Cb 0.13 -2.47 0.36 0.00 -1.45 0.00 0.00 41.25 37.82 3itl s ASN 150 CO 0.64 -0.66 1.73 0.00 -3.72 0.00 0.00 177.10 175.08 3itl h ALA 151 N 7.91 0.90 -0.39 1.71 0.00 -1.99 -1.36 119.26 126.04 3itl h ALA 151 Ca -0.22 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3itl h ALA 151 Cb 1.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3itl h ALA 151 CO 0.93 -0.22 0.16 0.00 0.00 0.00 0.00 179.25 180.13 3itl h ALA 152 N 1.49 1.55 -0.29 0.00 0.00 -1.96 -0.62 119.26 119.44 3itl h ALA 152 Ca 0.36 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 3itl h ALA 152 Cb 0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3itl h ALA 152 CO -0.37 0.35 -0.35 1.15 0.00 0.00 0.00 179.25 180.04 3itl h THR 153 N 0.55 1.30 -0.63 0.00 2.02 -1.63 -1.71 112.91 112.81 3itl h THR 153 Ca 0.14 -1.53 -0.03 0.00 0.77 0.00 0.00 66.41 65.75 3itl h THR 153 Cb 0.10 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3itl h THR 153 CO -0.02 0.49 0.26 0.03 0.37 0.00 0.00 175.52 176.66 3itl h ARG 154 N 0.49 0.94 -0.64 6.66 3.08 -0.99 -1.53 114.38 122.38 3itl h ARG 154 Ca 0.04 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.95 3itl h ARG 154 Cb 0.93 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 3itl h ARG 154 CO 0.08 0.78 0.40 0.00 -1.07 0.00 0.00 179.97 180.17 3itl h ALA 155 N 1.11 0.83 -0.66 0.04 0.00 -1.01 -0.28 119.26 119.29 3itl h ALA 155 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3itl h ALA 155 Cb 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3itl h ALA 155 CO -0.02 0.17 0.26 0.37 0.00 0.00 0.00 179.25 180.03 3itl h GLN 156 N 0.80 0.97 -0.43 0.00 4.15 -0.99 -0.62 115.11 119.00 3itl h GLN 156 Ca 0.25 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.38 3itl h GLN 156 Cb -0.01 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3itl h GLN 156 CO -0.09 0.80 -0.24 0.00 -1.93 0.00 0.00 178.83 177.36 3itl h ALA 157 N 1.33 0.76 -0.39 3.38 0.00 -0.54 -1.23 119.26 122.57 3itl h ALA 157 Ca 0.22 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3itl h ALA 157 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3itl h ALA 157 CO -0.02 0.66 0.07 0.28 0.00 0.00 0.00 179.25 180.24 3itl h VAL 158 N 0.76 1.24 -0.84 0.00 2.07 -0.68 -2.40 116.25 116.39 3itl h VAL 158 Ca 0.10 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3itl h VAL 158 Cb 0.79 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3itl h VAL 158 CO 0.07 0.29 0.47 -0.08 0.02 0.00 0.00 177.57 178.33 3itl h GLU 159 N 0.48 1.17 -0.63 1.57 4.57 -0.94 -1.48 114.58 119.33 3itl h GLU 159 Ca 0.12 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3itl h GLU 159 Cb 0.35 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3itl h GLU 159 CO 0.01 0.85 0.38 1.25 -1.18 0.00 0.00 179.01 180.31 3itl h HIS 160 N 1.18 0.83 -0.69 0.92 2.76 -0.98 -1.09 115.15 118.07 3itl h HIS 160 Ca 0.30 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.41 3itl h HIS 160 Cb 0.01 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.67 3itl h HIS 160 CO 0.01 0.56 0.20 -0.91 -1.30 0.00 0.00 177.93 176.49 3itl h ASN 161 N 0.85 0.99 -0.24 3.26 2.35 -0.89 -1.58 115.58 120.32 3itl h ASN 161 Ca 0.22 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3itl h ASN 161 Cb -0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3itl h ASN 161 CO -0.04 0.94 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.57 3itl h LEU 162 N 1.02 0.54 -0.87 1.61 3.38 -0.82 -1.78 115.31 118.39 3itl h LEU 162 Ca 0.22 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3itl h LEU 162 Cb 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3itl h LEU 162 CO -0.01 0.63 -0.01 -0.08 0.09 0.00 0.00 178.44 179.06 3itl h GLU 163 N 0.54 0.82 -0.51 1.13 4.81 -0.57 -1.64 114.58 119.16 3itl h GLU 163 Ca 0.11 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3itl h GLU 163 Cb 0.39 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3itl h GLU 163 CO 0.02 0.83 0.15 0.00 -0.73 0.00 0.00 179.01 179.28 3itl h ILE 165 N 0.74 1.27 -0.60 0.00 2.04 -0.76 -0.76 117.51 119.44 3itl h ILE 165 Ca 0.17 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 3itl h ILE 165 Cb 0.23 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3itl h ILE 165 CO -0.01 0.39 0.37 -0.33 0.00 0.00 0.00 178.15 178.57 3itl h GLU 166 N 0.67 0.81 -0.38 2.37 4.39 -0.81 0.49 114.58 122.13 3itl h GLU 166 Ca 0.12 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3itl h GLU 166 Cb 0.56 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3itl h GLU 166 CO 0.03 0.57 0.18 0.82 -1.16 0.00 0.00 179.01 179.45 3itl h ILE 167 N 0.81 1.17 -0.79 3.13 2.04 -1.14 -2.83 117.51 119.90 3itl h ILE 167 Ca 0.22 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3itl h ILE 167 Cb -0.04 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3itl h ILE 167 CO -0.04 0.19 0.37 1.23 0.00 0.00 0.00 178.15 179.90 3itl h GLY 168 N 0.47 1.23 2.00 5.37 0.00 -0.62 -2.18 103.07 109.33 3itl h GLY 168 Ca 0.13 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3itl h GLY 168 CO -0.02 0.58 -0.16 0.50 0.00 0.00 0.00 176.54 177.45 3itl h LYS 169 N 1.13 0.00 0.00 4.80 1.57 -0.74 -0.19 116.57 123.14 3itl h LYS 169 Ca 0.27 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3itl h LYS 169 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3itl h LYS 169 CO -0.03 0.16 -0.24 0.00 -0.57 0.00 0.00 179.45 178.76 3itl h ALA 170 N 1.84 0.86 -0.01 3.86 0.00 -1.16 -3.32 119.26 121.33 3itl h ALA 170 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3itl h ALA 170 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3itl h ALA 170 CO 0.02 0.30 -0.14 0.44 0.00 0.00 0.00 179.25 179.87 3itl n ILE 171 N -3.18 0.00 -0.04 0.00 -5.35 -0.89 -4.80 119.36 105.10 3itl n ILE 171 Ca 0.03 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3itl n ILE 171 Cb 0.60 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.68 3itl n ILE 171 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3itl n GLY 172 N 0.84 0.98 3.81 3.28 0.00 -0.59 -4.62 105.19 108.88 3itl n GLY 172 Ca 0.06 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3itl n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3itl s SER 173 N -2.01 6.59 -0.09 1.61 0.15 -0.19 -4.78 113.70 114.99 3itl s SER 173 Ca 0.00 1.77 0.13 0.00 0.70 0.00 0.00 55.95 58.56 3itl s SER 173 Cb 0.00 -2.54 0.27 0.00 -1.71 0.00 0.00 66.02 62.03 3itl s SER 173 CO 0.00 -0.60 1.13 0.29 1.20 0.00 0.00 173.24 175.26 3itl n LYS 174 N -0.98 0.78 -3.51 5.44 4.76 -1.26 -4.45 118.16 118.93 3itl n LYS 174 Ca 0.08 -2.21 -0.13 0.00 -2.87 0.00 0.00 58.31 53.18 3itl n LYS 174 Cb 0.53 -0.99 -0.04 0.00 -1.84 0.00 0.00 35.03 32.69 3itl n LYS 174 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3itl s ALA 175 N -1.68 -1.80 -0.11 7.82 0.00 -1.26 -2.12 121.76 122.61 3itl s ALA 175 Ca 0.25 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.40 3itl s ALA 175 Cb 0.24 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.44 3itl s ALA 175 CO -0.04 -0.50 -0.15 -1.17 0.00 0.00 0.00 175.76 173.91 3itl s LEU 176 N -1.75 1.71 -0.20 0.00 2.96 -0.58 -0.46 118.68 120.36 3itl s LEU 176 Ca -0.03 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 3itl s LEU 176 Cb -0.01 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 3itl s LEU 176 CO -0.01 0.00 0.09 -0.89 -1.32 0.00 0.00 176.35 174.22 3itl s THR 177 N 1.07 4.90 -0.31 3.68 2.01 0.60 -0.48 115.64 127.12 3itl s THR 177 Ca -0.05 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 3itl s THR 177 Cb -0.15 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.18 3itl s THR 177 CO -0.03 0.42 0.01 -0.69 -0.69 0.00 0.00 174.62 173.64 3itl s VAL 178 N 0.66 2.96 -0.11 3.82 1.01 0.12 -2.84 120.40 126.02 3itl s VAL 178 Ca 0.05 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.59 3itl s VAL 178 Cb -0.13 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3itl s VAL 178 CO 0.01 -0.15 -0.17 0.86 0.00 0.00 0.00 175.10 175.65 3itl s TRP 179 N 1.23 2.14 0.25 5.22 -0.00 -1.26 -2.17 118.94 124.35 3itl s TRP 179 Ca -0.04 -1.01 0.08 0.00 -0.00 0.00 0.00 56.10 55.12 3itl s TRP 179 Cb -0.20 -1.51 -0.05 0.00 -0.00 0.00 0.00 33.47 31.71 3itl s TRP 179 CO -0.02 -0.50 -0.12 0.96 -0.00 0.00 0.00 176.95 177.28 3itl s ILE 180 N 0.91 1.83 -2.00 5.86 -4.36 -1.26 -4.67 121.20 117.51 3itl s ILE 180 Ca -0.07 -2.21 0.25 0.00 -0.26 0.00 0.00 60.65 58.36 3itl s ILE 180 Cb -0.15 -2.24 0.22 0.00 1.25 0.00 0.00 42.46 41.53 3itl s ILE 180 CO -0.01 -0.45 1.43 0.61 0.24 0.00 0.00 174.94 176.76 3itl n GLY 181 N -0.50 -0.26 3.14 6.27 0.00 -1.26 -4.96 105.19 107.62 3itl n GLY 181 Ca -0.07 -0.49 -0.55 0.00 0.00 0.00 0.00 46.02 44.91 3itl n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3itl n ASP 182 N -0.25 0.48 0.00 1.61 9.92 -1.26 -4.08 116.55 122.97 3itl n ASP 182 Ca 0.12 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 3itl n ASP 182 Cb 0.40 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 3itl n ASP 182 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3itl n GLY 183 N 2.31 -0.56 3.08 0.44 0.00 -1.26 -1.62 105.19 107.58 3itl n GLY 183 Ca 0.22 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 3itl n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3itl s SER 184 N -4.00 0.64 0.00 1.61 1.04 0.24 -4.91 113.70 108.32 3itl s SER 184 Ca 0.00 -0.82 0.14 0.00 0.48 0.00 0.00 55.95 55.74 3itl s SER 184 Cb 0.00 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3itl s SER 184 CO 0.00 -0.44 0.74 0.59 0.98 0.00 0.00 173.24 175.11 3itl n ASN 185 N 0.61 1.35 -3.92 7.02 4.13 -1.26 -1.22 115.26 121.95 3itl n ASN 185 Ca -0.17 -1.17 -0.12 0.00 1.68 0.00 0.00 54.58 54.80 3itl n ASN 185 Cb 0.59 0.55 -0.13 0.00 -1.54 0.00 0.00 39.78 39.24 3itl n ASN 185 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3itl s PHE 186 N -1.78 0.18 0.31 3.10 0.08 -1.26 -4.39 117.98 114.21 3itl s PHE 186 Ca 0.10 -0.18 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 3itl s PHE 186 Cb 0.11 -0.12 -0.11 0.00 -0.57 0.00 0.00 43.02 42.33 3itl s PHE 186 CO 0.38 -0.05 1.54 -2.14 -0.10 0.00 0.00 175.22 174.84 3itl s PRO 187 N -0.49 4.15 0.00 0.24 0.02 -1.26 -1.91 135.00 135.75 3itl s PRO 187 Ca -0.04 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3itl s PRO 187 Cb -0.03 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3itl s PRO 187 CO -0.00 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 3itl n GLY 188 N 1.70 3.17 0.37 0.52 0.00 -1.26 -4.87 105.19 104.83 3itl n GLY 188 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3itl n GLY 188 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3itl h GLN 189 N 1.70 1.17 -6.50 1.61 4.15 -1.82 -3.42 115.11 112.00 3itl h GLN 189 Ca 0.00 -0.07 -0.63 0.00 0.77 0.00 0.00 58.65 58.72 3itl h GLN 189 Cb 0.00 -0.26 -0.24 0.00 0.21 0.00 0.00 27.48 27.19 3itl h GLN 189 CO 0.00 0.78 -0.85 -1.12 -1.93 0.00 0.00 178.83 175.70 3itl s SER 190 N -5.94 2.90 -0.43 -0.69 0.01 -1.26 -5.09 113.70 103.20 3itl s SER 190 Ca -0.13 -0.66 -0.19 0.00 1.31 0.00 0.00 55.95 56.29 3itl s SER 190 Cb 0.20 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.24 3itl s SER 190 CO 0.81 0.16 0.56 0.21 0.41 0.00 0.00 173.24 175.40 3itl s ASN 191 N -1.68 6.27 0.22 2.44 3.84 -1.26 -4.96 114.94 119.81 3itl s ASN 191 Ca 0.10 -0.49 -0.14 0.00 0.21 0.00 0.00 52.86 52.54 3itl s ASN 191 Cb -0.10 -2.28 0.27 0.00 -0.55 0.00 0.00 41.25 38.59 3itl s ASN 191 CO 0.04 -0.71 1.59 -0.26 -2.79 0.00 0.00 177.10 174.97 3itl h PHE 192 N 8.83 -0.62 -0.19 0.43 0.04 -1.98 -1.13 116.94 122.31 3itl h PHE 192 Ca -0.26 0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.51 3itl h PHE 192 Cb 1.10 0.39 -0.00 0.00 2.20 0.00 0.00 35.95 39.64 3itl h PHE 192 CO 0.69 -0.36 -0.18 1.15 -0.60 0.00 0.00 178.31 179.01 3itl h THR 193 N -0.04 1.33 -0.83 -1.55 2.02 -1.99 -2.44 112.91 109.40 3itl h THR 193 Ca 0.34 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 3itl h THR 193 Cb 0.57 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 3itl h THR 193 CO -0.80 0.41 0.38 0.03 0.37 0.00 0.00 175.52 175.91 3itl h ARG 194 N 0.13 1.21 -0.67 6.66 3.08 -1.90 0.55 114.38 123.44 3itl h ARG 194 Ca 0.03 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3itl h ARG 194 Cb 0.72 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3itl h ARG 194 CO 0.05 0.94 0.29 0.00 -1.07 0.00 0.00 179.97 180.18 3itl h ALA 195 N 1.23 0.87 -0.42 0.04 0.00 -1.22 -0.64 119.26 119.11 3itl h ALA 195 Ca 0.28 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3itl h ALA 195 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3itl h ALA 195 CO -0.03 0.47 -0.15 0.35 0.00 0.00 0.00 179.25 179.89 3itl h PHE 196 N 0.95 0.88 -0.62 0.00 3.57 -0.93 -1.31 116.94 119.47 3itl h PHE 196 Ca 0.23 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3itl h PHE 196 Cb 0.17 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3itl h PHE 196 CO 0.01 0.88 0.26 0.93 -2.23 0.00 0.00 178.31 178.16 3itl h GLU 197 N 0.71 0.92 -0.70 1.11 5.08 -0.42 -0.26 114.58 121.01 3itl h GLU 197 Ca 0.11 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3itl h GLU 197 Cb 0.64 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3itl h GLU 197 CO 0.04 0.76 0.28 0.00 -1.00 0.00 0.00 179.01 179.10 3itl h ARG 198 N 0.86 1.05 -0.34 2.33 3.08 -0.80 -1.86 114.38 118.69 3itl h ARG 198 Ca 0.21 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3itl h ARG 198 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3itl h ARG 198 CO -0.02 0.87 0.18 -0.92 -1.07 0.00 0.00 179.97 179.01 3itl h TYR 199 N 1.00 0.47 -0.83 3.04 5.03 -0.80 -1.76 116.97 123.12 3itl h TYR 199 Ca 0.23 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 3itl h TYR 199 Cb 0.21 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.30 3itl h TYR 199 CO 0.02 0.38 0.45 -0.07 -1.32 0.00 0.00 178.16 177.62 3itl h LEU 200 N 0.43 1.03 -0.48 2.82 3.38 -0.84 0.28 115.31 121.94 3itl h LEU 200 Ca 0.12 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3itl h LEU 200 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3itl h LEU 200 CO -0.02 0.83 -0.01 -1.28 0.09 0.00 0.00 178.44 178.05 3itl h SER 201 N 1.16 0.84 -0.36 -0.43 0.87 -1.11 -1.35 113.55 113.17 3itl h SER 201 Ca 0.29 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 3itl h SER 201 Cb 0.03 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3itl h SER 201 CO -0.05 0.94 -0.10 0.00 -0.53 0.00 0.00 176.83 177.10 3itl h ALA 202 N 0.92 0.49 0.00 6.23 0.00 -0.96 -2.72 119.26 123.22 3itl h ALA 202 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3itl h ALA 202 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3itl h ALA 202 CO 0.03 0.35 -0.18 0.52 0.00 0.00 0.00 179.25 179.97 3itl h MET 203 N 0.49 0.00 -0.35 0.00 2.07 -0.87 -1.25 114.93 115.02 3itl h MET 203 Ca 0.09 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.64 3itl h MET 203 Cb 0.61 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.32 3itl h MET 203 CO 0.04 0.18 -0.09 0.00 1.07 0.00 0.00 176.91 178.10 3itl h ALA 204 N 1.82 1.18 -0.40 6.32 0.00 -0.94 0.11 119.26 127.36 3itl h ALA 204 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3itl h ALA 204 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3itl h ALA 204 CO 0.02 0.52 -0.16 0.93 0.00 0.00 0.00 179.25 180.56 3itl h GLU 205 N 0.55 0.81 -0.63 0.00 5.08 -1.02 -1.03 114.58 118.34 3itl h GLU 205 Ca 0.10 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 3itl h GLU 205 Cb 0.49 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3itl h GLU 205 CO 0.03 0.97 0.10 0.82 -1.00 0.00 0.00 179.01 179.93 3itl h ILE 206 N 0.62 1.26 -0.83 3.13 2.04 -1.03 -2.53 117.51 120.17 3itl h ILE 206 Ca 0.09 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3itl h ILE 206 Cb 0.71 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3itl h ILE 206 CO 0.05 0.38 0.47 0.22 0.00 0.00 0.00 178.15 179.27 3itl h TYR 207 N 0.96 1.12 -0.17 1.37 5.03 -0.60 -1.61 116.97 123.07 3itl h TYR 207 Ca 0.19 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 3itl h TYR 207 Cb 0.44 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 3itl h TYR 207 CO 0.03 0.76 0.03 -0.22 -1.32 0.00 0.00 178.16 177.44 3itl h LYS 208 N 1.15 0.24 -0.33 1.82 3.64 -0.78 -1.37 116.57 120.93 3itl h LYS 208 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3itl h LYS 208 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3itl h LYS 208 CO -0.05 0.24 0.00 0.41 -2.27 0.00 0.00 179.45 177.78 3itl n GLY 209 N -1.28 1.09 3.71 5.01 0.00 -0.67 -4.91 105.19 108.13 3itl n GLY 209 Ca -0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 3itl n GLY 209 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3itl s LEU 210 N -1.41 4.35 0.77 0.99 2.96 -0.52 -5.02 118.68 120.80 3itl s LEU 210 Ca 0.35 1.58 -0.14 0.00 -0.22 0.00 0.00 54.13 55.70 3itl s LEU 210 Cb 0.20 -3.51 0.06 0.00 0.50 0.00 0.00 46.19 43.44 3itl s LEU 210 CO 0.28 -0.27 1.21 -2.65 -1.32 0.00 0.00 176.35 173.59 3itl n PRO 211 N 4.04 0.39 0.00 0.98 -0.02 -1.26 -4.88 135.00 134.25 3itl n PRO 211 Ca 0.06 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.81 3itl n PRO 211 Cb 0.51 -2.44 0.44 0.00 -0.02 0.00 0.00 33.50 31.98 3itl n PRO 211 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3itl n ASP 212 N -2.90 0.00 -0.09 2.55 10.43 -1.26 -2.29 116.55 122.99 3itl n ASP 212 Ca 0.14 -1.33 0.08 0.00 2.57 0.00 0.00 54.79 56.25 3itl n ASP 212 Cb 0.50 0.00 0.12 0.00 1.84 0.00 0.00 41.12 43.57 3itl n ASP 212 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3itl n ASP 213 N -0.76 2.33 -4.60 -2.24 5.75 -1.26 -5.03 116.55 110.74 3itl n ASP 213 Ca 0.11 -2.86 -0.25 0.00 -0.01 0.00 0.00 54.79 51.78 3itl n ASP 213 Cb 0.05 -0.35 -0.09 0.00 -1.03 0.00 0.00 41.12 39.70 3itl n ASP 213 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3itl s TRP 214 N -2.49 2.50 0.14 2.11 0.52 -0.97 -4.87 118.94 115.89 3itl s TRP 214 Ca 0.26 -0.47 0.08 0.00 0.02 0.00 0.00 56.10 55.99 3itl s TRP 214 Cb 0.22 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 3itl s TRP 214 CO 0.03 0.51 -0.18 0.15 0.02 0.00 0.00 176.95 177.47 3itl s LYS 215 N -3.68 1.21 -0.20 4.98 1.02 -0.90 -4.89 119.74 117.28 3itl s LYS 215 Ca 0.34 -1.33 0.01 0.00 0.02 0.00 0.00 55.97 55.01 3itl s LYS 215 Cb 0.01 -1.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.05 3itl s LYS 215 CO 0.18 0.27 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.54 3itl s LEU 216 N -2.46 2.38 -0.23 3.17 2.96 0.15 -1.53 118.68 123.12 3itl s LEU 216 Ca 0.13 -0.73 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 3itl s LEU 216 Cb -0.07 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3itl s LEU 216 CO 0.06 -0.03 0.04 -0.36 -1.32 0.00 0.00 176.35 174.73 3itl s PHE 217 N 1.28 3.06 -0.11 5.38 0.08 0.37 -0.95 117.98 127.09 3itl s PHE 217 Ca 0.03 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.48 3itl s PHE 217 Cb -0.14 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.08 3itl s PHE 217 CO -0.11 -0.36 0.19 -1.54 -0.10 0.00 0.00 175.22 173.29 3itl s SER 218 N 1.45 6.44 -0.17 1.36 1.04 -0.78 0.14 113.70 123.18 3itl s SER 218 Ca 0.05 0.52 0.01 0.00 0.48 0.00 0.00 55.95 57.02 3itl s SER 218 Cb -0.15 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.88 3itl s SER 218 CO 0.02 0.36 -0.18 -0.70 0.98 0.00 0.00 173.24 173.72 3itl s GLU 219 N -0.84 3.06 0.44 4.02 2.12 -0.92 -1.26 118.70 125.32 3itl s GLU 219 Ca 0.16 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.59 3itl s GLU 219 Cb -0.13 -2.59 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 3itl s GLU 219 CO 0.05 -0.14 0.79 -3.38 -0.54 0.00 0.00 175.26 172.04 3itl s HIS 220 N 1.14 3.51 -0.26 5.30 -3.43 -1.26 -4.71 115.29 115.57 3itl s HIS 220 Ca 0.01 0.99 -0.14 0.00 -0.80 0.00 0.00 55.06 55.12 3itl s HIS 220 Cb -0.14 -2.42 0.08 0.00 -1.43 0.00 0.00 32.58 28.67 3itl s HIS 220 CO -0.08 -0.19 0.64 0.21 -2.00 0.00 0.00 174.74 173.33 3itl s LYS 221 N -4.17 0.65 0.16 -0.38 2.20 -0.40 -4.75 119.74 113.05 3itl s LYS 221 Ca 0.50 1.18 -0.15 0.00 -0.36 0.00 0.00 55.97 57.14 3itl s LYS 221 Cb -0.10 0.17 0.05 0.00 -1.51 0.00 0.00 37.83 36.44 3itl s LYS 221 CO 0.36 -0.16 1.82 1.98 -0.36 0.00 0.00 175.35 178.99 3itl h MET 222 N 7.11 0.57 -2.92 4.03 1.85 -0.94 -3.35 114.93 121.28 3itl h MET 222 Ca -0.30 -0.03 0.07 0.00 -0.61 0.00 0.00 59.70 58.83 3itl h MET 222 Cb 1.21 -0.13 -0.05 0.00 0.43 0.00 0.00 31.60 33.07 3itl h MET 222 CO 0.18 0.38 0.27 1.52 -0.40 0.00 0.00 176.91 178.85 3itl s TYR 223 N -6.15 -0.14 0.03 1.39 1.13 -1.26 -4.50 117.35 107.84 3itl s TYR 223 Ca -0.13 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 3itl s TYR 223 Cb 0.12 0.72 0.00 0.00 -1.10 0.00 0.00 41.96 41.70 3itl s TYR 223 CO 0.73 -1.23 0.00 -1.91 -2.51 0.00 0.00 175.55 170.63 3itl n GLU 224 N -0.47 -1.01 0.16 -3.49 2.13 -1.26 -4.82 120.64 111.88 3itl n GLU 224 Ca -0.05 1.13 0.13 0.00 0.66 0.00 0.00 57.16 59.03 3itl n GLU 224 Cb 0.59 -0.96 0.54 0.00 0.27 0.00 0.00 31.44 31.88 3itl n GLU 224 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3itl h PRO 225 N 0.80 0.00 -6.14 5.31 0.13 -1.93 -3.48 132.00 126.68 3itl h PRO 225 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 3itl h PRO 225 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3itl h PRO 225 CO 0.00 0.00 0.17 0.00 -0.23 0.00 0.00 178.00 177.94 3itl s ALA 226 N -3.40 3.29 -1.35 -0.56 0.00 -1.26 -4.97 121.76 113.51 3itl s ALA 226 Ca 0.03 0.25 0.16 0.00 0.00 0.00 0.00 51.96 52.40 3itl s ALA 226 Cb 0.09 -3.06 0.45 0.00 0.00 0.00 0.00 23.12 20.60 3itl s ALA 226 CO 0.42 -0.14 1.37 1.19 0.00 0.00 0.00 175.76 178.61 3itl n PHE 227 N 3.81 0.68 0.05 0.00 3.72 -1.23 -4.55 117.46 119.94 3itl n PHE 227 Ca 0.01 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 3itl n PHE 227 Cb 0.51 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3itl n PHE 227 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3itl n TYR 228 N 0.98 -0.43 -4.05 1.38 9.36 -0.40 -4.93 117.16 119.07 3itl n TYR 228 Ca 0.17 0.08 -0.09 0.00 3.32 0.00 0.00 57.90 61.38 3itl n TYR 228 Cb 0.51 0.15 -0.11 0.00 -0.63 0.00 0.00 39.34 39.26 3itl n TYR 228 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3itl s SER 229 N -5.45 0.51 -0.03 2.98 1.04 -0.36 -4.97 113.70 107.42 3itl s SER 229 Ca 0.00 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.70 3itl s SER 229 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.26 3itl s SER 229 CO 0.00 -0.42 -0.06 -0.89 0.98 0.00 0.00 173.24 172.85 3itl s THR 230 N -2.59 0.61 0.11 2.02 2.01 -1.26 -0.59 115.64 115.95 3itl s THR 230 Ca -0.04 -0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.46 3itl s THR 230 Cb -0.02 -0.58 -0.09 0.00 0.01 0.00 0.00 72.50 71.81 3itl s THR 230 CO -0.05 0.22 1.63 0.58 -0.69 0.00 0.00 174.62 176.31 3itl h VAL 231 N 5.74 0.38 -3.38 3.82 2.07 -1.64 -3.05 116.25 120.19 3itl h VAL 231 Ca -0.35 0.00 -0.79 0.00 0.82 0.00 0.00 66.70 66.38 3itl h VAL 231 Cb 1.17 0.38 -0.29 0.00 -1.52 0.00 0.00 31.29 31.03 3itl h VAL 231 CO 0.48 0.00 0.47 0.52 0.02 0.00 0.00 177.57 179.07 3itl n VAL 232 N -5.40 4.59 0.02 2.57 0.31 -1.26 -4.84 118.33 114.32 3itl n VAL 232 Ca -0.07 -5.49 -0.07 0.00 -0.01 0.00 0.00 64.34 58.69 3itl n VAL 232 Cb 0.31 -2.45 -0.13 0.00 -0.91 0.00 0.00 33.84 30.66 3itl n VAL 232 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3itl h GLN 233 N 6.28 0.00 -4.11 5.55 -0.00 -1.66 -1.05 115.11 120.12 3itl h GLN 233 Ca 0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.54 3itl h GLN 233 Cb 0.80 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 28.21 3itl h GLN 233 CO 1.07 0.71 -0.16 0.16 -0.00 0.00 0.00 178.83 180.61 3itl s ASP 234 N -6.36 1.04 0.57 0.06 1.47 -1.26 -2.21 116.67 109.99 3itl s ASP 234 Ca -0.02 -1.54 0.35 0.00 1.18 0.00 0.00 52.55 52.52 3itl s ASP 234 Cb 0.09 0.69 1.66 0.00 -0.34 0.00 0.00 42.92 45.02 3itl s ASP 234 CO 0.82 -1.36 2.10 4.11 0.68 0.00 0.00 175.17 181.52 3itl h TRP 235 N 2.06 0.00 -0.03 2.11 5.08 -1.95 -1.54 115.95 121.68 3itl h TRP 235 Ca -0.28 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.68 3itl h TRP 235 Cb 1.24 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3itl h TRP 235 CO 1.67 0.03 -0.03 0.78 -1.28 0.00 0.00 178.44 179.61 3itl h GLY 236 N 1.31 0.08 1.25 11.11 0.00 -1.99 0.13 103.07 114.95 3itl h GLY 236 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3itl h GLY 236 CO 0.00 0.07 0.10 -0.84 0.00 0.00 0.00 176.54 175.88 3itl h THR 237 N -0.37 1.24 -0.80 4.70 2.02 -1.90 -2.19 112.91 115.61 3itl h THR 237 Ca 0.01 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 3itl h THR 237 Cb 0.51 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3itl h THR 237 CO 0.01 0.35 0.41 -1.13 0.37 0.00 0.00 175.52 175.52 3itl h ASN 238 N 0.88 1.03 -0.54 4.18 -0.73 -1.13 -1.39 115.58 117.88 3itl h ASN 238 Ca 0.18 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 3itl h ASN 238 Cb 0.37 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 3itl h ASN 238 CO 0.01 0.86 0.22 0.22 -0.37 0.00 0.00 177.43 178.37 3itl h TYR 239 N 1.13 0.81 -0.98 0.67 3.20 -0.34 -1.01 116.97 120.45 3itl h TYR 239 Ca 0.28 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.14 3itl h TYR 239 Cb 0.08 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.04 3itl h TYR 239 CO 0.01 0.66 0.64 -0.07 -1.64 0.00 0.00 178.16 177.76 3itl h LEU 240 N 0.73 1.04 0.54 2.82 3.38 -0.92 0.19 115.31 123.08 3itl h LEU 240 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3itl h LEU 240 Cb 0.19 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3itl h LEU 240 CO -0.02 0.68 -0.26 0.40 0.09 0.00 0.00 178.44 179.34 3itl h ILE 241 N 1.18 0.39 -0.58 1.22 2.04 -0.73 -1.50 117.51 119.53 3itl h ILE 241 Ca 0.41 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 66.00 3itl h ILE 241 Cb 0.10 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 3itl h ILE 241 CO -0.15 0.04 0.32 0.00 0.00 0.00 0.00 178.15 178.37 3itl h ALA 242 N -0.61 0.76 -0.77 1.87 0.00 -0.94 -0.63 119.26 118.94 3itl h ALA 242 Ca -0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3itl h ALA 242 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3itl h ALA 242 CO 0.12 0.01 0.34 0.37 0.00 0.00 0.00 179.25 180.09 3itl h GLN 243 N 0.62 1.13 -0.25 0.00 5.75 -1.00 -2.81 115.11 118.55 3itl h GLN 243 Ca 0.25 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 3itl h GLN 243 Cb 0.11 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3itl h GLN 243 CO -0.15 0.90 -0.06 1.15 -2.65 0.00 0.00 178.83 178.03 3itl h THR 244 N 1.10 1.28 -0.30 2.39 2.02 -0.75 -3.33 112.91 115.31 3itl h THR 244 Ca 0.26 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 3itl h THR 244 Cb 0.17 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3itl h THR 244 CO -0.03 0.33 0.02 -0.07 0.37 0.00 0.00 175.52 176.14 3itl h LEU 245 N 0.23 0.51 0.00 2.58 3.38 -1.04 -3.50 115.31 117.48 3itl h LEU 245 Ca 0.07 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3itl h LEU 245 Cb 0.52 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3itl h LEU 245 CO 0.02 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.84 3itl n GLY 246 N -0.38 1.72 0.37 0.83 0.00 -1.07 -4.92 105.19 101.74 3itl n GLY 246 Ca -0.02 -1.67 0.19 0.00 0.00 0.00 0.00 46.02 44.52 3itl n GLY 246 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3itl h PRO 247 N 0.00 0.00 -0.00 1.61 0.11 -1.91 -1.00 132.00 130.81 3itl h PRO 247 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3itl h PRO 247 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3itl h PRO 247 CO 0.00 0.00 -0.14 1.63 -0.21 0.00 0.00 178.00 179.28 3itl n LYS 248 N -4.24 0.55 -3.71 1.05 5.02 -1.26 -4.80 118.16 110.77 3itl n LYS 248 Ca 0.08 -0.19 -0.36 0.00 -2.02 0.00 0.00 58.31 55.82 3itl n LYS 248 Cb 0.56 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.98 3itl n LYS 248 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itl s ALA 249 N -2.58 3.64 0.28 7.82 0.00 -0.38 -0.68 121.76 129.86 3itl s ALA 249 Ca 0.25 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3itl s ALA 249 Cb 0.20 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 3itl s ALA 249 CO 0.50 0.01 0.19 -0.65 0.00 0.00 0.00 175.76 175.81 3itl s GLN 250 N 0.66 1.53 -0.13 0.00 -0.21 -0.12 -4.71 119.66 116.67 3itl s GLN 250 Ca 0.08 -1.86 -0.07 0.00 0.02 0.00 0.00 55.36 53.52 3itl s GLN 250 Cb -0.12 0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 3itl s GLN 250 CO 0.01 -0.49 0.12 0.00 -2.12 0.00 0.00 175.29 172.80 3itl s LEU 252 N -0.71 3.61 -0.30 0.00 0.20 -0.39 0.27 118.68 121.36 3itl s LEU 252 Ca 0.13 0.01 -0.09 0.00 0.69 0.00 0.00 54.13 54.87 3itl s LEU 252 Cb -0.12 -1.90 -0.01 0.00 -0.43 0.00 0.00 46.19 43.73 3itl s LEU 252 CO 0.03 0.17 0.13 -0.69 -0.29 0.00 0.00 176.35 175.70 3itl s VAL 253 N 0.37 4.53 -0.30 1.68 1.01 -0.17 -4.06 120.40 123.46 3itl s VAL 253 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 3itl s VAL 253 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3itl s VAL 253 CO 0.01 0.12 0.15 -0.62 0.00 0.00 0.00 175.10 174.76 3itl s ASP 254 N 1.61 5.54 0.45 3.32 -1.08 -1.26 -1.09 116.67 124.16 3itl s ASP 254 Ca 0.05 -0.42 0.26 0.00 -0.52 0.00 0.00 52.55 51.91 3itl s ASP 254 Cb -0.17 -2.00 1.29 0.00 -1.46 0.00 0.00 42.92 40.57 3itl s ASP 254 CO 0.06 -0.16 1.77 -0.07 0.52 0.00 0.00 175.17 177.28 3itl h LEU 255 N 8.34 0.28 -1.88 -1.34 3.38 -1.77 -1.52 115.31 120.80 3itl h LEU 255 Ca -0.33 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3itl h LEU 255 Cb 1.15 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3itl h LEU 255 CO 0.60 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.77 3itl n GLY 256 N -1.58 1.42 1.81 0.83 0.00 -1.26 -4.29 105.19 102.13 3itl n GLY 256 Ca 0.27 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.85 3itl n GLY 256 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3itl n HIS 257 N 0.72 1.99 -4.35 1.61 8.25 -0.57 -3.50 115.22 119.37 3itl n HIS 257 Ca 0.16 -0.74 -0.25 0.00 -0.26 0.00 0.00 57.72 56.63 3itl n HIS 257 Cb 0.49 -0.49 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 3itl n HIS 257 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3itl s HIS 258 N -2.75 2.54 0.81 4.41 3.76 -1.26 -2.13 115.29 120.67 3itl s HIS 258 Ca 0.54 -0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 55.06 3itl s HIS 258 Cb 0.41 -1.16 0.08 0.00 1.11 0.00 0.00 32.58 33.02 3itl s HIS 258 CO 0.16 0.60 1.19 0.00 -0.85 0.00 0.00 174.74 175.84 3itl s ALA 259 N -2.13 1.86 0.26 -1.40 0.00 -1.26 -4.89 121.76 114.20 3itl s ALA 259 Ca 0.28 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 3itl s ALA 259 Cb -0.07 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 3itl s ALA 259 CO 0.16 -2.25 1.32 -2.30 0.00 0.00 0.00 175.76 172.70 3itl n PRO 260 N -3.36 1.92 -0.86 0.00 -0.02 -1.26 -2.06 135.00 129.37 3itl n PRO 260 Ca 0.13 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3itl n PRO 260 Cb 0.51 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3itl n PRO 260 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3itl n ASN 261 N 1.74 -1.10 -4.66 2.55 3.02 -1.26 -4.99 115.26 110.56 3itl n ASN 261 Ca 0.10 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 3itl n ASN 261 Cb 0.32 -1.17 -0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3itl n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3itl n THR 262 N -2.16 2.13 -2.95 3.41 -1.04 -0.87 -4.89 114.28 107.90 3itl n THR 262 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 3itl n THR 262 Cb 0.05 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.15 3itl n THR 262 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3itl s ASN 263 N -0.45 6.49 0.18 8.00 3.84 -1.26 -4.87 114.94 126.87 3itl s ASN 263 Ca 0.58 -1.79 -0.08 0.00 0.21 0.00 0.00 52.86 51.77 3itl s ASN 263 Cb -0.59 -2.38 0.06 0.00 -0.55 0.00 0.00 41.25 37.79 3itl s ASN 263 CO 0.60 -1.12 1.57 0.40 -2.79 0.00 0.00 177.10 175.77 3itl h ILE 264 N 5.82 1.27 0.00 -5.21 2.04 -1.98 -2.98 117.51 116.47 3itl h ILE 264 Ca 0.01 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 3itl h ILE 264 Cb 1.04 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3itl h ILE 264 CO 1.10 0.47 -0.03 1.05 0.00 0.00 0.00 178.15 180.74 3itl h GLU 265 N 0.82 0.00 -0.24 2.37 9.09 -1.90 -0.84 114.58 123.88 3itl h GLU 265 Ca 0.11 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.34 3itl h GLU 265 Cb 0.77 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.87 3itl h GLU 265 CO 0.06 0.03 -0.56 1.98 0.05 0.00 0.00 179.01 180.57 3itl h MET 266 N 0.00 0.73 -0.79 1.06 4.05 -1.92 -1.79 114.93 116.28 3itl h MET 266 Ca -0.00 -0.47 0.01 0.00 -0.28 0.00 0.00 59.70 58.96 3itl h MET 266 Cb 0.06 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 3itl h MET 266 CO 0.00 1.09 0.52 0.82 0.23 0.00 0.00 176.91 179.58 3itl h ILE 267 N 0.56 1.19 -0.18 1.77 2.04 -1.16 0.01 117.51 121.74 3itl h ILE 267 Ca 0.01 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3itl h ILE 267 Cb 1.14 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3itl h ILE 267 CO 0.12 0.19 0.08 0.58 0.00 0.00 0.00 178.15 179.12 3itl h VAL 268 N 1.06 0.98 -0.61 1.67 2.07 -1.14 -1.25 116.25 119.03 3itl h VAL 268 Ca 0.29 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.79 3itl h VAL 268 Cb -0.11 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3itl h VAL 268 CO -0.07 0.03 0.36 0.00 0.02 0.00 0.00 177.57 177.92 3itl h ALA 269 N 1.10 0.79 -0.25 1.67 0.00 -0.65 -1.52 119.26 120.40 3itl h ALA 269 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3itl h ALA 269 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3itl h ALA 269 CO -0.06 0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.41 3itl h ARG 270 N 0.71 0.36 -0.66 0.00 2.47 -0.67 -1.29 114.38 115.30 3itl h ARG 270 Ca 0.25 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.89 3itl h ARG 270 Cb 0.06 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 3itl h ARG 270 CO -0.12 0.33 0.25 -0.07 0.56 0.00 0.00 179.97 180.92 3itl h LEU 271 N 0.29 0.90 -0.34 3.04 3.38 -1.00 -2.51 115.31 119.07 3itl h LEU 271 Ca 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3itl h LEU 271 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3itl h LEU 271 CO -0.01 0.81 0.11 0.40 0.09 0.00 0.00 178.44 179.83 3itl h ILE 272 N 0.96 1.21 -0.71 1.22 2.04 -1.02 0.14 117.51 121.34 3itl h ILE 272 Ca 0.22 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.50 3itl h ILE 272 Cb 0.20 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3itl h ILE 272 CO -0.02 0.23 0.47 -0.61 0.00 0.00 0.00 178.15 178.22 3itl h GLN 273 N 0.40 0.62 -0.60 2.37 4.15 -0.88 -1.30 115.11 119.87 3itl h GLN 273 Ca 0.11 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3itl h GLN 273 Cb 0.25 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3itl h GLN 273 CO -0.00 0.41 0.00 1.19 -1.93 0.00 0.00 178.83 178.50 3itl n PHE 274 N -4.49 1.59 -2.28 3.99 3.72 -0.98 -4.96 117.46 114.06 3itl n PHE 274 Ca 0.11 -0.65 -0.21 0.00 -0.05 0.00 0.00 57.45 56.65 3itl n PHE 274 Cb 0.30 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 3itl n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3itl n GLY 275 N 0.90 -0.12 0.21 1.37 0.00 -0.49 -4.91 105.19 102.15 3itl n GLY 275 Ca 0.26 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.36 3itl n GLY 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3itl n LYS 276 N -2.89 1.56 -2.89 1.61 4.76 0.38 -4.93 118.16 115.76 3itl n LYS 276 Ca -0.24 -2.63 -0.43 0.00 -2.87 0.00 0.00 58.31 52.14 3itl n LYS 276 Cb 0.68 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 32.28 3itl n LYS 276 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3itl s LEU 277 N -2.87 4.49 -0.02 -0.35 2.96 -1.20 -0.28 118.68 121.41 3itl s LEU 277 Ca 0.34 -1.00 -0.20 0.00 -0.22 0.00 0.00 54.13 53.04 3itl s LEU 277 Cb 0.29 -2.43 -0.32 0.00 0.50 0.00 0.00 46.19 44.24 3itl s LEU 277 CO 0.04 -1.39 0.95 1.23 -1.32 0.00 0.00 176.35 175.86 3itl h GLY 278 N 11.16 0.43 -0.97 7.98 0.00 -0.47 -3.43 103.07 117.76 3itl h GLY 278 Ca -0.29 -1.05 0.18 0.00 0.00 0.00 0.00 47.33 46.18 3itl h GLY 278 CO 1.17 0.92 0.48 0.61 0.00 0.00 0.00 176.54 179.72 3itl n GLY 279 N 1.61 0.42 3.25 4.60 0.00 -1.14 -1.42 105.19 112.51 3itl n GLY 279 Ca -0.14 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 3itl n GLY 279 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3itl s PHE 280 N -2.55 1.55 -0.27 1.61 0.08 0.51 -1.00 117.98 117.91 3itl s PHE 280 Ca 0.16 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.78 3itl s PHE 280 Cb -0.00 -0.84 0.07 0.00 -0.57 0.00 0.00 43.02 41.67 3itl s PHE 280 CO -0.00 0.16 -0.06 -1.01 -0.10 0.00 0.00 175.22 174.20 3itl s HIS 281 N -1.41 3.24 0.12 0.36 3.76 -0.25 -1.77 115.29 119.33 3itl s HIS 281 Ca 0.05 -2.39 -0.17 0.00 -0.15 0.00 0.00 55.06 52.40 3itl s HIS 281 Cb -0.09 -2.10 -0.07 0.00 1.11 0.00 0.00 32.58 31.44 3itl s HIS 281 CO 0.04 -0.88 0.56 -0.06 -0.85 0.00 0.00 174.74 173.55 3itl s PHE 282 N 1.10 3.69 0.00 1.40 0.08 0.12 -2.25 117.98 122.13 3itl s PHE 282 Ca -0.04 1.16 0.00 0.00 0.12 0.00 0.00 56.93 58.17 3itl s PHE 282 Cb -0.20 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 3itl s PHE 282 CO -0.06 0.49 0.00 0.27 -0.10 0.00 0.00 175.22 175.81 3itl n ASN 283 N 1.16 0.00 -4.44 1.36 0.23 -1.26 -1.18 115.26 111.12 3itl n ASN 283 Ca -0.07 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.76 3itl n ASN 283 Cb 0.51 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 3itl n ASN 283 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3itl s ASP 284 N 0.00 2.56 0.07 0.53 -1.08 0.10 -4.60 116.67 114.24 3itl s ASP 284 Ca 0.00 -1.30 -0.27 0.00 -0.52 0.00 0.00 52.55 50.46 3itl s ASP 284 Cb 0.00 -0.13 0.09 0.00 -1.46 0.00 0.00 42.92 41.42 3itl s ASP 284 CO 0.00 -0.50 0.96 -0.94 0.52 0.00 0.00 175.17 175.22 3itl s SER 285 N -3.47 -0.24 0.00 -0.34 1.04 -1.26 -1.27 113.70 108.16 3itl s SER 285 Ca 0.33 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3itl s SER 285 Cb 0.07 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3itl s SER 285 CO 0.14 -0.73 0.00 1.17 0.98 0.00 0.00 173.24 174.80 3itl n LYS 286 N -0.37 1.48 0.01 4.02 4.81 -1.26 -4.77 118.16 122.08 3itl n LYS 286 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.35 3itl n LYS 286 Cb 0.61 -0.68 -0.01 0.00 0.02 0.00 0.00 35.03 34.97 3itl n LYS 286 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3itl n TYR 287 N -1.04 0.00 0.00 5.64 4.01 -1.26 -5.10 117.16 119.42 3itl n TYR 287 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3itl n TYR 287 Cb 0.18 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 3itl n TYR 287 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3itl n GLY 288 N 2.93 5.26 2.75 2.72 0.00 -1.26 -4.92 105.19 112.66 3itl n GLY 288 Ca -0.04 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3itl n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3itl n ASP 289 N 0.00 5.48 0.28 1.61 2.03 -1.23 -4.73 116.55 119.99 3itl n ASP 289 Ca 0.00 -3.03 0.15 0.00 0.52 0.00 0.00 54.79 52.44 3itl n ASP 289 Cb 0.00 -1.50 0.83 0.00 -0.72 0.00 0.00 41.12 39.73 3itl n ASP 289 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3itl h ASP 290 N 5.58 0.00 -5.20 1.67 3.32 -1.84 -3.47 116.42 116.49 3itl h ASP 290 Ca 0.50 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 57.15 3itl h ASP 290 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.13 3itl h ASP 290 CO 1.67 0.07 -0.62 0.47 -1.72 0.00 0.00 179.24 179.11 3itl n ASP 291 N -3.49 -5.27 -4.90 6.45 8.00 -1.23 -4.78 116.55 111.32 3itl n ASP 291 Ca -0.02 -0.42 -0.28 0.00 0.71 0.00 0.00 54.79 54.78 3itl n ASP 291 Cb 0.20 -4.26 0.07 0.00 -0.02 0.00 0.00 41.12 37.11 3itl n ASP 291 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3itl s LEU 292 N -6.80 2.74 0.15 0.64 1.43 -0.40 -1.11 118.68 115.34 3itl s LEU 292 Ca 0.42 0.79 -0.34 0.00 -1.03 0.00 0.00 54.13 53.97 3itl s LEU 292 Cb -0.20 -3.43 -0.14 0.00 0.03 0.00 0.00 46.19 42.45 3itl s LEU 292 CO 0.52 -1.62 1.59 0.47 0.23 0.00 0.00 176.35 177.54 3itl n ASP 293 N -3.08 3.10 -4.60 2.29 9.92 -1.26 -0.72 116.55 122.19 3itl n ASP 293 Ca 0.07 1.08 -0.49 0.00 -0.53 0.00 0.00 54.79 54.93 3itl n ASP 293 Cb 0.60 -1.42 -0.04 0.00 -0.64 0.00 0.00 41.12 39.61 3itl n ASP 293 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3itl n ALA 294 N 3.55 -0.31 -0.81 2.24 0.00 -1.26 -1.44 120.51 122.48 3itl n ALA 294 Ca 0.17 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3itl n ALA 294 Cb 0.29 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3itl n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3itl n GLY 295 N 2.28 0.51 0.24 0.00 0.00 -1.26 -4.77 105.19 102.19 3itl n GLY 295 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.32 3itl n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itl h ALA 296 N 0.00 1.00 0.00 4.61 0.00 -1.61 -3.27 119.26 119.99 3itl h ALA 296 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3itl h ALA 296 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3itl h ALA 296 CO 0.00 0.00 -1.60 -0.89 0.00 0.00 0.00 179.25 176.76 3itl n ILE 297 N -3.01 0.59 -3.49 0.00 2.08 -1.26 -4.92 119.36 109.36 3itl n ILE 297 Ca 0.02 -0.16 -0.27 0.00 0.56 0.00 0.00 62.75 62.90 3itl n ILE 297 Cb 0.39 -1.56 -0.10 0.00 -0.75 0.00 0.00 39.64 37.62 3itl n ILE 297 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3itl n GLU 298 N -3.41 0.93 0.25 0.38 1.02 -1.26 -4.98 120.64 113.58 3itl n GLU 298 Ca -0.21 -3.66 0.08 0.00 -0.02 0.00 0.00 57.16 53.34 3itl n GLU 298 Cb 0.66 -1.80 0.63 0.00 -0.02 0.00 0.00 31.44 30.90 3itl n GLU 298 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3itl h PRO 299 N 5.14 0.01 -0.37 3.49 0.13 -1.91 -2.75 132.00 135.74 3itl h PRO 299 Ca 0.20 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.18 3itl h PRO 299 Cb 0.84 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3itl h PRO 299 CO 0.52 0.01 -0.34 -0.92 -0.23 0.00 0.00 178.00 177.04 3itl h TYR 300 N 0.01 1.00 -0.95 1.56 3.20 -1.93 -2.27 116.97 117.58 3itl h TYR 300 Ca 0.00 -0.28 0.02 0.00 3.14 0.00 0.00 58.73 61.61 3itl h TYR 300 Cb 0.01 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 3itl h TYR 300 CO 0.00 1.06 0.63 -0.09 -1.64 0.00 0.00 178.16 178.12 3itl h ARG 301 N 0.70 1.22 -0.63 1.82 2.43 -1.92 0.18 114.38 118.19 3itl h ARG 301 Ca 0.07 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3itl h ARG 301 Cb 0.90 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 3itl h ARG 301 CO 0.08 0.81 0.21 1.25 -1.51 0.00 0.00 179.97 180.81 3itl h LEU 302 N 1.26 0.90 -0.64 3.80 5.85 -1.45 -1.60 115.31 123.43 3itl h LEU 302 Ca 0.36 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3itl h LEU 302 Cb -0.09 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3itl h LEU 302 CO -0.09 0.85 0.24 0.15 -0.34 0.00 0.00 178.44 179.25 3itl h PHE 303 N 0.89 0.99 0.00 1.25 3.57 -0.74 -2.27 116.94 120.64 3itl h PHE 303 Ca 0.20 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3itl h PHE 303 Cb 0.26 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3itl h PHE 303 CO 0.02 0.79 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.59 3itl h LEU 304 N 0.91 0.00 -0.17 0.59 3.38 -0.23 0.21 115.31 120.00 3itl h LEU 304 Ca 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3itl h LEU 304 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3itl h LEU 304 CO -0.01 0.23 -0.25 0.58 0.09 0.00 0.00 178.44 179.08 3itl h VAL 305 N 0.00 1.35 0.00 1.22 2.07 -1.00 -2.91 116.25 116.97 3itl h VAL 305 Ca -0.00 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 3itl h VAL 305 Cb 0.40 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3itl h VAL 305 CO 0.03 0.44 -0.27 -0.26 0.02 0.00 0.00 177.57 177.53 3itl h PHE 306 N 0.10 0.00 -0.64 1.57 0.04 -0.83 -2.21 116.94 114.97 3itl h PHE 306 Ca 0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3itl h PHE 306 Cb 0.82 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 3itl h PHE 306 CO 0.09 0.27 0.28 -0.97 -0.60 0.00 0.00 178.31 177.38 3itl h ASN 307 N 0.00 0.84 0.30 2.17 -1.24 -0.41 -0.73 115.58 116.51 3itl h ASN 307 Ca -0.00 -0.10 -0.12 0.00 0.71 0.00 0.00 56.30 56.78 3itl h ASN 307 Cb 0.57 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 3itl h ASN 307 CO 0.03 0.74 -0.49 -0.33 -1.29 0.00 0.00 177.43 176.09 3itl h GLU 308 N 0.92 0.23 -0.24 6.67 4.39 -1.22 -0.69 114.58 124.63 3itl h GLU 308 Ca 0.22 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 3itl h GLU 308 Cb 0.14 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3itl h GLU 308 CO -0.02 0.67 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.18 3itl h LEU 309 N 0.18 0.64 -0.73 1.33 3.38 -1.14 -1.99 115.31 116.98 3itl h LEU 309 Ca 0.01 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 3itl h LEU 309 Cb 0.94 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3itl h LEU 309 CO 0.08 0.98 -0.47 0.58 0.09 0.00 0.00 178.44 179.70 3itl h VAL 310 N 0.31 1.32 -0.50 1.22 2.07 -1.10 -2.86 116.25 116.71 3itl h VAL 310 Ca 0.04 -1.67 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 3itl h VAL 310 Cb 0.81 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3itl h VAL 310 CO 0.06 0.51 -0.01 -0.78 0.02 0.00 0.00 177.57 177.37 3itl h ASP 311 N 0.32 0.82 -0.84 0.57 3.58 -1.05 -1.56 116.42 118.25 3itl h ASP 311 Ca 0.02 -0.21 0.07 0.00 0.42 0.00 0.00 57.03 57.33 3itl h ASP 311 Cb 0.94 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.71 3itl h ASP 311 CO 0.08 0.89 0.51 0.00 -2.88 0.00 0.00 179.24 177.84 3itl h ALA 312 N 1.20 1.17 -0.41 -0.78 0.00 -1.13 0.49 119.26 119.80 3itl h ALA 312 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3itl h ALA 312 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3itl h ALA 312 CO 0.02 0.22 0.01 1.49 0.00 0.00 0.00 179.25 181.00 3itl h GLU 313 N 0.92 0.72 -0.44 0.00 4.81 -1.33 -1.25 114.58 118.01 3itl h GLU 313 Ca 0.38 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3itl h GLU 313 Cb 0.22 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3itl h GLU 313 CO -0.19 0.80 0.09 0.00 -0.73 0.00 0.00 179.01 178.97 3itl h ALA 314 N 0.90 1.33 0.00 2.92 0.00 -0.21 -1.81 119.26 122.38 3itl h ALA 314 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3itl h ALA 314 Cb 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3itl h ALA 314 CO 0.02 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3itl h ARG 315 N 0.65 0.00 0.00 0.00 3.08 0.08 -3.47 114.38 114.72 3itl h ARG 315 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3itl h ARG 315 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3itl h ARG 315 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3itl n GLY 316 N 0.44 0.91 3.72 0.04 0.00 -0.68 -5.04 105.19 104.57 3itl n GLY 316 Ca 0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3itl n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3itl s VAL 317 N -2.00 3.12 0.23 1.61 1.01 -0.50 -5.00 120.40 118.87 3itl s VAL 317 Ca 0.00 0.84 0.06 0.00 0.00 0.00 0.00 61.98 62.88 3itl s VAL 317 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3itl s VAL 317 CO 0.00 0.09 0.25 -0.54 0.00 0.00 0.00 175.10 174.89 3itl s LYS 318 N 0.70 3.12 -1.94 2.72 -0.14 -1.26 -4.54 119.74 118.41 3itl s LYS 318 Ca 0.63 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 3itl s LYS 318 Cb -0.38 -2.71 0.00 0.00 -1.68 0.00 0.00 37.83 33.06 3itl s LYS 318 CO 0.33 0.43 0.00 0.41 -0.76 0.00 0.00 175.35 175.76 3itl n GLY 319 N -1.10 1.36 3.36 -3.33 0.00 -1.26 -4.95 105.19 99.27 3itl n GLY 319 Ca -0.08 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 3itl n GLY 319 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3itl s PHE 320 N -2.76 3.13 -0.46 1.61 5.36 -1.26 -4.93 117.98 118.66 3itl s PHE 320 Ca 0.00 -1.02 0.07 0.00 -0.96 0.00 0.00 56.93 55.02 3itl s PHE 320 Cb 0.00 -3.74 0.23 0.00 -0.34 0.00 0.00 43.02 39.17 3itl s PHE 320 CO 0.00 -1.08 0.53 0.72 -1.46 0.00 0.00 175.22 173.93 3itl n HIS 321 N 5.75 0.58 -1.89 10.12 8.25 -1.26 -5.08 115.22 131.69 3itl n HIS 321 Ca -0.11 -3.68 -0.38 0.00 -0.26 0.00 0.00 57.72 53.29 3itl n HIS 321 Cb 0.42 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 31.26 3itl n HIS 321 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3itl s PRO 322 N -1.25 3.21 0.17 -0.41 0.04 -1.26 -4.97 135.00 130.53 3itl s PRO 322 Ca 0.35 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 3itl s PRO 322 Cb 0.13 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3itl s PRO 322 CO -0.11 -1.09 0.97 0.00 0.04 0.00 0.00 177.00 176.81 3itl s ALA 323 N -1.38 3.30 -0.18 8.56 0.00 -0.51 -4.93 121.76 126.62 3itl s ALA 323 Ca 0.71 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 53.28 3itl s ALA 323 Cb -0.37 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 3itl s ALA 323 CO 0.44 0.03 -0.11 -1.01 0.00 0.00 0.00 175.76 175.11 3itl s HIS 324 N -0.48 2.87 0.00 0.00 3.76 -1.26 -0.36 115.29 119.82 3itl s HIS 324 Ca 0.45 -1.00 -0.02 0.00 -0.15 0.00 0.00 55.06 54.34 3itl s HIS 324 Cb -0.25 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 3itl s HIS 324 CO 0.31 -0.50 0.02 -1.64 -0.85 0.00 0.00 174.74 172.09 3itl s MET 325 N 1.08 0.21 -0.06 1.40 -1.94 -0.73 -0.88 119.30 118.38 3itl s MET 325 Ca 0.00 -0.28 -0.15 0.00 -1.71 0.00 0.00 55.69 53.55 3itl s MET 325 Cb -0.15 0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.73 3itl s MET 325 CO -0.02 -0.04 0.40 0.42 -0.01 0.00 0.00 175.02 175.76 3itl s ILE 326 N -0.77 5.12 -0.34 2.53 1.01 0.23 0.16 121.20 129.14 3itl s ILE 326 Ca -0.09 0.80 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 3itl s ILE 326 Cb -0.05 -3.71 0.12 0.00 0.01 0.00 0.00 42.46 38.83 3itl s ILE 326 CO -0.00 0.49 0.17 0.21 0.00 0.00 0.00 174.94 175.82 3itl s ASN 327 N -0.45 3.41 0.14 3.58 2.47 -0.32 -3.65 114.94 120.12 3itl s ASN 327 Ca 0.23 -1.91 0.00 0.00 0.42 0.00 0.00 52.86 51.60 3itl s ASN 327 Cb -0.16 -0.56 -0.04 0.00 -1.45 0.00 0.00 41.25 39.04 3itl s ASN 327 CO 0.11 -0.36 0.03 -1.10 -3.72 0.00 0.00 177.10 172.06 3itl s GLN 328 N 1.35 0.96 -0.11 0.43 -0.21 -1.26 -4.49 119.66 116.32 3itl s GLN 328 Ca 0.14 -1.45 0.02 0.00 0.02 0.00 0.00 55.36 54.09 3itl s GLN 328 Cb -0.20 0.05 0.01 0.00 1.00 0.00 0.00 33.01 33.86 3itl s GLN 328 CO -0.14 -0.19 -0.18 0.45 -2.12 0.00 0.00 175.29 173.10 3itl s SER 329 N -3.08 2.68 -0.56 5.90 0.15 -0.27 -4.45 113.70 114.07 3itl s SER 329 Ca 0.22 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.32 3itl s SER 329 Cb 0.07 -1.22 0.15 0.00 -1.71 0.00 0.00 66.02 63.30 3itl s SER 329 CO 0.01 0.06 0.41 -1.00 1.20 0.00 0.00 173.24 173.92 3itl s HIS 330 N 0.81 3.49 -0.14 3.44 0.09 -1.26 -4.60 115.29 117.12 3itl s HIS 330 Ca -0.09 -2.28 0.18 0.00 -0.00 0.00 0.00 55.06 52.86 3itl s HIS 330 Cb -0.16 -3.39 -0.12 0.00 -0.00 0.00 0.00 32.58 28.91 3itl s HIS 330 CO 0.00 -0.94 0.83 0.09 -0.00 0.00 0.00 174.74 174.73 3itl n ASN 331 N 4.24 0.82 -0.56 1.40 3.02 -1.26 -1.02 115.26 121.89 3itl n ASN 331 Ca 0.01 0.35 0.04 0.00 -0.03 0.00 0.00 54.58 54.96 3itl n ASN 331 Cb 0.41 0.27 0.07 0.00 -0.61 0.00 0.00 39.78 39.91 3itl n ASN 331 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3itl n VAL 332 N -2.84 0.77 -4.19 2.41 0.24 -1.26 -4.76 118.33 108.70 3itl n VAL 332 Ca -0.09 -1.16 -0.14 0.00 -2.04 0.00 0.00 64.34 60.92 3itl n VAL 332 Cb 0.79 0.30 -0.09 0.00 -1.47 0.00 0.00 33.84 33.37 3itl n VAL 332 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3itl s THR 333 N -1.16 0.00 -0.27 3.34 -4.23 -1.26 -5.10 115.64 106.97 3itl s THR 333 Ca 0.19 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.49 3itl s THR 333 Cb 0.19 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 3itl s THR 333 CO -0.03 0.00 1.30 -0.62 -0.54 0.00 0.00 174.62 174.73 3itl s ASP 334 N -3.20 6.72 0.33 3.99 -1.08 -1.26 -4.89 116.67 117.27 3itl s ASP 334 Ca 0.37 1.31 0.11 0.00 -0.52 0.00 0.00 52.55 53.83 3itl s ASP 334 Cb 0.05 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.92 3itl s ASP 334 CO 0.16 -1.02 1.70 -0.65 0.52 0.00 0.00 175.17 175.88 3itl h PRO 335 N 9.10 0.44 -0.46 4.34 0.11 -1.87 -0.74 132.00 142.91 3itl h PRO 335 Ca -0.26 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 3itl h PRO 335 Cb 1.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3itl h PRO 335 CO 1.02 0.29 0.08 0.82 -0.21 0.00 0.00 178.00 179.99 3itl h ILE 336 N 0.45 1.25 -0.54 4.15 2.04 -1.87 -0.92 117.51 122.06 3itl h ILE 336 Ca 0.67 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 3itl h ILE 336 Cb 1.40 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3itl h ILE 336 CO -0.54 0.32 -0.01 -0.33 0.00 0.00 0.00 178.15 177.59 3itl h GLU 337 N 0.64 0.96 -0.53 2.37 5.08 -1.57 -0.93 114.58 120.59 3itl h GLU 337 Ca 0.14 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3itl h GLU 337 Cb 0.39 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3itl h GLU 337 CO 0.01 0.97 0.13 0.77 -1.00 0.00 0.00 179.01 179.89 3itl h SER 338 N 0.84 0.82 -0.31 1.42 0.02 -1.21 -1.54 113.55 113.59 3itl h SER 338 Ca 0.15 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3itl h SER 338 Cb 0.54 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3itl h SER 338 CO 0.03 0.84 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.43 3itl h LEU 339 N 0.75 0.68 0.50 5.07 3.38 -1.03 -0.34 115.31 124.32 3itl h LEU 339 Ca 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3itl h LEU 339 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3itl h LEU 339 CO 0.00 0.79 -0.24 0.40 0.09 0.00 0.00 178.44 179.48 3itl h ILE 340 N 0.65 0.51 0.00 1.22 2.04 -0.84 -1.16 117.51 119.93 3itl h ILE 340 Ca 0.12 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3itl h ILE 340 Cb 0.50 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3itl h ILE 340 CO 0.03 0.01 -0.23 0.78 0.00 0.00 0.00 178.15 178.73 3itl h ASN 341 N -0.69 0.00 -0.16 1.72 2.35 -1.17 -1.80 115.58 115.83 3itl h ASN 341 Ca -0.07 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.53 3itl h ASN 341 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3itl h ASN 341 CO 0.11 0.23 -0.48 0.28 -1.65 0.00 0.00 177.43 175.93 3itl h SER 342 N 0.00 0.70 -0.80 5.81 0.02 -0.89 -0.26 113.55 118.13 3itl h SER 342 Ca -0.00 -0.59 -0.04 0.00 -0.84 0.00 0.00 61.79 60.32 3itl h SER 342 Cb 0.57 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3itl h SER 342 CO 0.03 1.17 0.35 0.00 -1.14 0.00 0.00 176.83 177.24 3itl h ALA 343 N 0.55 1.09 -0.31 3.77 0.00 -0.99 -1.52 119.26 121.86 3itl h ALA 343 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3itl h ALA 343 Cb 1.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3itl h ALA 343 CO 0.10 0.66 0.20 -0.91 0.00 0.00 0.00 179.25 179.30 3itl h ASN 344 N 1.16 0.36 -0.50 0.00 -0.26 -1.16 -2.19 115.58 113.00 3itl h ASN 344 Ca 0.27 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.96 3itl h ASN 344 Cb 0.17 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 3itl h ASN 344 CO -0.03 0.29 0.23 -0.08 -1.06 0.00 0.00 177.43 176.78 3itl h GLU 345 N 0.41 0.77 -0.46 0.81 4.57 -0.59 0.59 114.58 120.67 3itl h GLU 345 Ca 0.11 -0.10 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 3itl h GLU 345 Cb -0.02 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3itl h GLU 345 CO -0.02 0.62 -0.13 0.82 -1.18 0.00 0.00 179.01 179.12 3itl h ILE 346 N 0.76 1.27 -0.02 2.32 2.04 -1.04 -1.23 117.51 121.62 3itl h ILE 346 Ca 0.19 -1.26 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 3itl h ILE 346 Cb 0.12 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3itl h ILE 346 CO -0.02 0.43 -0.40 0.03 0.00 0.00 0.00 178.15 178.19 3itl h ARG 347 N 0.74 0.04 -0.06 2.37 3.08 -0.81 -1.78 114.38 117.96 3itl h ARG 347 Ca 0.11 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3itl h ARG 347 Cb 0.68 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3itl h ARG 347 CO 0.05 0.43 0.02 -0.09 -1.07 0.00 0.00 179.97 179.31 3itl h ARG 348 N 0.03 0.09 -0.76 0.04 2.43 -0.39 0.56 114.38 116.38 3itl h ARG 348 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3itl h ARG 348 Cb 0.72 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 3itl h ARG 348 CO 0.05 0.26 0.35 0.00 -1.51 0.00 0.00 179.97 179.13 3itl h ALA 349 N 0.82 0.98 -0.05 2.80 0.00 -1.09 -1.52 119.26 121.22 3itl h ALA 349 Ca 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3itl h ALA 349 Cb 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3itl h ALA 349 CO -0.00 0.56 0.03 -0.92 0.00 0.00 0.00 179.25 178.92 3itl h TYR 350 N 1.08 0.06 -0.69 0.00 3.20 -1.16 -1.28 116.97 118.19 3itl h TYR 350 Ca 0.26 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.16 3itl h TYR 350 Cb 0.14 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 3itl h TYR 350 CO 0.01 0.10 0.43 0.00 -1.64 0.00 0.00 178.16 177.06 3itl h ALA 351 N 0.96 0.90 -0.46 1.82 0.00 -0.64 -1.42 119.26 120.43 3itl h ALA 351 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3itl h ALA 351 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3itl h ALA 351 CO -0.00 0.20 0.00 1.96 0.00 0.00 0.00 179.25 181.41 3itl h GLN 352 N 0.84 0.75 -0.26 0.00 4.20 -1.11 -1.98 115.11 117.55 3itl h GLN 352 Ca 0.28 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3itl h GLN 352 Cb 0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3itl h GLN 352 CO -0.11 0.76 -0.06 0.00 -0.67 0.00 0.00 178.83 178.75 3itl h ALA 353 N 1.30 1.40 0.00 3.87 0.00 -0.47 -1.70 119.26 123.65 3itl h ALA 353 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3itl h ALA 353 Cb 0.43 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3itl h ALA 353 CO 0.02 0.41 -0.10 -0.07 0.00 0.00 0.00 179.25 179.51 3itl h LEU 354 N 0.40 0.00 0.00 0.00 3.38 -0.52 -2.92 115.31 115.65 3itl h LEU 354 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3itl h LEU 354 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3itl h LEU 354 CO 0.02 0.10 -0.11 0.18 0.09 0.00 0.00 178.44 178.72 3itl n LEU 355 N -3.34 0.75 -4.71 1.67 4.77 -0.64 -4.89 117.00 110.62 3itl n LEU 355 Ca -0.01 0.51 -0.43 0.00 -0.03 0.00 0.00 56.01 56.05 3itl n LEU 355 Cb 0.30 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3itl n LEU 355 CO 0.29 -0.15 1.33 0.52 -1.33 0.00 0.00 177.39 178.06 3itl n VAL 356 N -2.19 0.01 -2.46 4.08 0.31 -1.10 -4.80 118.33 112.17 3itl n VAL 356 Ca 0.05 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.99 3itl n VAL 356 Cb 0.43 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 3itl n VAL 356 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3itl s ASP 357 N 1.13 6.15 0.26 4.52 -1.08 -1.26 -4.85 116.67 121.54 3itl s ASP 357 Ca 0.76 -0.94 -0.05 0.00 -0.52 0.00 0.00 52.55 51.80 3itl s ASP 357 Cb -0.55 -2.56 0.30 0.00 -1.46 0.00 0.00 42.92 38.65 3itl s ASP 357 CO 0.34 -1.82 1.94 0.03 0.52 0.00 0.00 175.17 176.17 3itl h ARG 358 N 10.41 1.28 -0.50 4.34 2.47 -1.96 -0.96 114.38 129.47 3itl h ARG 358 Ca 0.02 -0.08 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 3itl h ARG 358 Cb 1.03 -0.29 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 3itl h ARG 358 CO 1.34 0.85 0.05 0.00 0.56 0.00 0.00 179.97 182.77 3itl h ALA 359 N 1.39 0.66 -0.24 0.04 0.00 -1.99 -0.63 119.26 118.49 3itl h ALA 359 Ca 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3itl h ALA 359 Cb -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3itl h ALA 359 CO -0.08 0.42 0.07 0.00 0.00 0.00 0.00 179.25 179.66 3itl h ALA 360 N 0.96 0.32 -0.28 0.00 0.00 -1.90 -2.21 119.26 116.15 3itl h ALA 360 Ca 0.15 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3itl h ALA 360 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3itl h ALA 360 CO 0.02 -0.05 0.13 1.25 0.00 0.00 0.00 179.25 180.60 3itl h LEU 361 N 0.22 0.20 -0.92 0.00 5.85 -1.03 -1.43 115.31 118.19 3itl h LEU 361 Ca 0.08 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3itl h LEU 361 Cb 0.25 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 3itl h LEU 361 CO -0.00 0.15 0.57 -1.28 -0.34 0.00 0.00 178.44 177.54 3itl h SER 362 N 0.29 0.87 -0.31 1.25 0.87 -1.04 0.13 113.55 115.60 3itl h SER 362 Ca 0.11 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3itl h SER 362 Cb 0.04 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3itl h SER 362 CO -0.08 0.52 0.15 1.23 -0.53 0.00 0.00 176.83 178.12 3itl h GLY 363 N 0.99 0.48 2.00 5.77 0.00 -0.72 -1.36 103.07 110.23 3itl h GLY 363 Ca 0.42 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 3itl h GLY 363 CO -0.21 0.22 -0.33 -0.97 0.00 0.00 0.00 176.54 175.25 3itl h TYR 364 N 0.37 0.00 -0.09 5.60 0.05 -0.59 -1.97 116.97 120.34 3itl h TYR 364 Ca 0.11 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.73 3itl h TYR 364 Cb 0.11 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.86 3itl h TYR 364 CO -0.02 0.33 -0.56 1.96 -1.05 0.00 0.00 178.16 178.82 3itl h GLN 365 N 0.00 0.54 -0.07 4.88 4.20 -0.69 0.51 115.11 124.48 3itl h GLN 365 Ca -0.00 -0.46 -0.08 0.00 0.06 0.00 0.00 58.65 58.16 3itl h GLN 365 Cb 0.68 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3itl h GLN 365 CO 0.04 1.09 -0.34 0.93 -0.67 0.00 0.00 178.83 179.88 3itl h GLU 366 N 0.14 0.13 -0.18 1.46 4.39 -1.09 -2.60 114.58 116.82 3itl h GLU 366 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3itl h GLU 366 Cb 1.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3itl h GLU 366 CO 0.12 0.46 0.00 -0.25 -1.16 0.00 0.00 179.01 178.18 3itl n ASP 367 N -4.11 2.03 -3.75 1.42 8.00 -0.76 -4.94 116.55 114.44 3itl n ASP 367 Ca -0.01 -1.75 -0.27 0.00 0.71 0.00 0.00 54.79 53.47 3itl n ASP 367 Cb 0.41 -0.11 0.05 0.00 -0.02 0.00 0.00 41.12 41.44 3itl n ASP 367 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3itl n ASN 368 N 0.56 -5.19 -4.30 -2.24 4.13 -0.87 -4.90 115.26 102.45 3itl n ASN 368 Ca 0.17 -0.67 -0.44 0.00 1.68 0.00 0.00 54.58 55.31 3itl n ASN 368 Cb 0.39 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.20 3itl n ASN 368 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3itl n ASP 369 N -2.94 5.58 -0.32 6.41 -0.08 0.12 -4.87 116.55 120.45 3itl n ASP 369 Ca -0.00 -3.08 0.03 0.00 -1.51 0.00 0.00 54.79 50.22 3itl n ASP 369 Cb 0.55 -1.40 0.17 0.00 2.34 0.00 0.00 41.12 42.78 3itl n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3itl h ALA 370 N 6.53 1.25 -0.05 -1.67 0.00 -1.91 -0.98 119.26 122.43 3itl h ALA 370 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3itl h ALA 370 Cb 0.82 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3itl h ALA 370 CO 1.13 0.20 0.02 1.25 0.00 0.00 0.00 179.25 181.85 3itl h LEU 371 N 0.91 0.07 -1.00 0.00 6.46 -1.96 -1.61 115.31 118.17 3itl h LEU 371 Ca 0.41 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.92 3itl h LEU 371 Cb 0.32 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3itl h LEU 371 CO -0.22 0.20 -0.48 0.24 -0.62 0.00 0.00 178.44 177.56 3itl h MET 372 N -0.08 0.00 -0.21 1.25 2.86 -1.92 -1.24 114.93 115.60 3itl h MET 372 Ca 0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3itl h MET 372 Cb 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3itl h MET 372 CO -0.00 0.48 0.03 0.00 1.06 0.00 0.00 176.91 178.47 3itl h ALA 373 N 1.52 0.29 -0.29 6.32 0.00 -1.01 0.29 119.26 126.38 3itl h ALA 373 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3itl h ALA 373 Cb 0.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3itl h ALA 373 CO 0.06 -0.03 -0.36 0.00 0.00 0.00 0.00 179.25 178.92 3itl h THR 374 N 0.15 1.29 0.00 0.00 1.03 -1.18 -2.42 112.91 111.78 3itl h THR 374 Ca 0.06 -1.50 -0.06 0.00 -0.01 0.00 0.00 66.41 64.90 3itl h THR 374 Cb 0.33 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.86 3itl h THR 374 CO 0.01 0.48 -0.30 -0.08 -0.01 0.00 0.00 175.52 175.62 3itl h GLU 375 N 0.54 0.00 -0.59 0.00 4.57 -1.07 -0.77 114.58 117.27 3itl h GLU 375 Ca 0.05 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.13 3itl h GLU 375 Cb 0.87 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 3itl h GLU 375 CO 0.07 0.30 -0.05 1.15 -1.18 0.00 0.00 179.01 179.30 3itl h THR 376 N 0.00 1.27 -0.39 0.32 2.02 -0.45 0.43 112.91 116.10 3itl h THR 376 Ca -0.00 -1.21 -0.12 0.00 0.77 0.00 0.00 66.41 65.85 3itl h THR 376 Cb 0.56 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3itl h THR 376 CO 0.04 0.44 -0.21 -0.07 0.37 0.00 0.00 175.52 176.09 3itl h LEU 377 N 0.96 0.86 -1.27 2.58 3.38 -1.12 -3.13 115.31 117.57 3itl h LEU 377 Ca 0.16 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3itl h LEU 377 Cb 0.62 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3itl h LEU 377 CO 0.04 1.08 0.13 0.11 0.09 0.00 0.00 178.44 179.89 3itl h LYS 378 N 0.63 0.64 -0.31 1.13 1.79 -0.82 -1.14 116.57 118.49 3itl h LYS 378 Ca 0.08 -0.10 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3itl h LYS 378 Cb 0.77 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 3itl h LYS 378 CO 0.06 0.56 0.21 0.00 -1.08 0.00 0.00 179.45 179.20 3itl h ARG 379 N 0.63 0.34 0.01 3.15 3.08 -0.86 0.43 114.38 121.16 3itl h ARG 379 Ca 0.15 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3itl h ARG 379 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3itl h ARG 379 CO -0.01 0.23 -0.00 0.00 -1.07 0.00 0.00 179.97 179.12 3itl h ALA 380 N 1.82 -0.01 -0.61 0.04 0.00 -1.44 -3.29 119.26 115.76 3itl h ALA 380 Ca 0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3itl h ALA 380 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3itl h ALA 380 CO -0.03 -0.02 0.37 -0.92 0.00 0.00 0.00 179.25 178.65 3itl h TYR 381 N -0.97 0.80 0.00 0.00 3.20 -0.85 -1.94 116.97 117.22 3itl h TYR 381 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3itl h TYR 381 Cb 0.85 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3itl h TYR 381 CO 0.23 0.53 0.00 0.00 -1.64 0.00 0.00 178.16 177.29 3itl h ARG 382 N 0.84 0.00 -6.47 1.82 3.08 -0.29 -3.44 114.38 109.92 3itl h ARG 382 Ca 0.22 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.74 3itl h ARG 382 Cb -0.03 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.04 3itl h ARG 382 CO -0.04 0.00 0.90 0.99 -1.07 0.00 0.00 179.97 180.75 3itl s THR 383 N -3.54 3.20 -0.70 2.04 2.01 -0.73 -4.94 115.64 112.98 3itl s THR 383 Ca 0.03 0.71 -0.26 0.00 0.31 0.00 0.00 61.69 62.47 3itl s THR 383 Cb 0.09 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 69.19 3itl s THR 383 CO 0.52 0.01 1.18 -0.62 -0.69 0.00 0.00 174.62 175.02 3itl s ASP 384 N 1.90 6.19 -0.02 3.53 2.15 -1.26 -4.86 116.67 124.31 3itl s ASP 384 Ca 0.69 -0.54 0.11 0.00 0.43 0.00 0.00 52.55 53.24 3itl s ASP 384 Cb -0.38 -2.52 0.35 0.00 -0.30 0.00 0.00 42.92 40.07 3itl s ASP 384 CO 0.30 -1.68 1.26 1.33 -0.17 0.00 0.00 175.17 176.21 3itl n VAL 385 N 6.28 0.63 -0.34 1.11 0.24 -1.26 -4.43 118.33 120.55 3itl n VAL 385 Ca 0.02 -0.54 0.08 0.00 -2.04 0.00 0.00 64.34 61.86 3itl n VAL 385 Cb 0.48 0.17 0.27 0.00 -1.47 0.00 0.00 33.84 33.29 3itl n VAL 385 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3itl h GLU 386 N 2.20 0.91 -0.65 7.34 4.57 -1.98 -0.98 114.58 125.99 3itl h GLU 386 Ca 0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3itl h GLU 386 Cb 0.61 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 3itl h GLU 386 CO 0.03 0.60 0.38 -1.35 -1.18 0.00 0.00 179.01 177.49 3itl h PRO 387 N 0.93 0.88 -0.35 0.92 0.11 -1.92 0.16 132.00 132.73 3itl h PRO 387 Ca 0.49 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.44 3itl h PRO 387 Cb 0.53 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3itl h PRO 387 CO -0.25 0.62 -0.08 0.82 -0.21 0.00 0.00 178.00 178.90 3itl h ILE 388 N 0.89 1.28 -0.53 4.15 2.04 -1.54 -0.28 117.51 123.51 3itl h ILE 388 Ca 0.23 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3itl h ILE 388 Cb -0.02 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3itl h ILE 388 CO -0.04 0.37 0.19 -0.07 0.00 0.00 0.00 178.15 178.60 3itl h LEU 389 N 0.46 0.75 -0.44 1.44 3.38 -0.67 -0.43 115.31 119.79 3itl h LEU 389 Ca 0.09 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3itl h LEU 389 Cb 0.58 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3itl h LEU 389 CO 0.03 0.74 -0.07 0.00 0.09 0.00 0.00 178.44 179.23 3itl h ALA 390 N 1.04 0.60 -0.51 1.53 0.00 -0.64 -2.29 119.26 119.00 3itl h ALA 390 Ca 0.17 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3itl h ALA 390 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3itl h ALA 390 CO -0.01 0.47 0.00 1.49 0.00 0.00 0.00 179.25 181.20 3itl h GLU 391 N 0.66 0.90 -0.43 0.00 4.57 -0.93 -0.62 114.58 118.73 3itl h GLU 391 Ca 0.12 -0.29 0.06 0.00 -1.18 0.00 0.00 59.36 58.07 3itl h GLU 391 Cb 0.60 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 3itl h GLU 391 CO 0.04 0.93 0.14 0.00 -1.18 0.00 0.00 179.01 178.93 3itl h ALA 392 N 0.94 0.50 -0.07 2.92 0.00 -0.98 0.76 119.26 123.33 3itl h ALA 392 Ca 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3itl h ALA 392 Cb 0.52 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3itl h ALA 392 CO 0.03 -0.25 0.04 0.00 0.00 0.00 0.00 179.25 179.06 3itl h ARG 393 N 0.30 0.10 -0.25 0.00 3.08 -1.15 -2.48 114.38 113.98 3itl h ARG 393 Ca 0.20 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.28 3itl h ARG 393 Cb 0.21 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3itl h ARG 393 CO -0.22 0.15 -0.01 -0.09 -1.07 0.00 0.00 179.97 178.73 3itl h ARG 394 N 0.03 0.06 0.00 0.04 2.43 -0.53 0.57 114.38 116.98 3itl h ARG 394 Ca 0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3itl h ARG 394 Cb 0.08 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3itl h ARG 394 CO -0.00 0.04 -0.02 0.00 -1.51 0.00 0.00 179.97 178.48 3itl h ARG 395 N 0.06 0.00 -0.41 0.20 3.08 -0.79 -2.99 114.38 113.53 3itl h ARG 395 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3itl h ARG 395 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3itl h ARG 395 CO -0.21 0.02 0.00 0.25 -1.07 0.00 0.00 179.97 178.96 3itl n THR 396 N -3.17 1.86 -0.37 2.04 -2.24 -0.74 -4.94 114.28 106.71 3itl n THR 396 Ca -0.01 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 3itl n THR 396 Cb 0.18 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3itl n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3itl n GLY 397 N 0.29 0.76 0.00 3.38 0.00 -1.04 -4.98 105.19 103.59 3itl n GLY 397 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3itl n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3itl n GLY 398 N -2.21 1.02 3.68 -0.02 0.00 0.19 -4.81 105.19 103.04 3itl n GLY 398 Ca 0.00 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 3itl n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itl s ALA 399 N -2.60 3.26 0.19 4.61 0.00 -0.43 -4.18 121.76 122.60 3itl s ALA 399 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 3itl s ALA 399 Cb 0.00 -1.46 0.17 0.00 0.00 0.00 0.00 23.12 21.83 3itl s ALA 399 CO 0.00 0.59 1.78 0.28 0.00 0.00 0.00 175.76 178.41 3itl h VAL 400 N 4.16 0.93 -3.22 0.00 2.07 -1.88 -3.30 116.25 115.01 3itl h VAL 400 Ca -0.51 -0.18 -0.62 0.00 0.82 0.00 0.00 66.70 66.21 3itl h VAL 400 Cb 1.19 0.37 -0.40 0.00 -1.52 0.00 0.00 31.29 30.93 3itl h VAL 400 CO 0.54 0.09 -0.70 -0.62 0.02 0.00 0.00 177.57 176.91 3itl s ASP 401 N -5.50 4.05 0.16 0.57 -1.08 -1.26 -4.69 116.67 108.93 3itl s ASP 401 Ca -0.13 -2.63 -0.22 0.00 -0.52 0.00 0.00 52.55 49.05 3itl s ASP 401 Cb 0.15 -1.31 0.06 0.00 -1.46 0.00 0.00 42.92 40.36 3itl s ASP 401 CO 0.74 -0.28 1.61 -0.65 0.52 0.00 0.00 175.17 177.11 3itl h PRO 402 N 6.86 -0.22 -0.43 4.34 0.11 -1.86 -1.38 132.00 139.41 3itl h PRO 402 Ca -0.05 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.99 3itl h PRO 402 Cb 0.93 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3itl h PRO 402 CO 0.56 -0.15 -0.09 0.28 -0.21 0.00 0.00 178.00 178.39 3itl h VAL 403 N -0.23 1.25 -0.56 3.15 2.07 -1.95 -0.22 116.25 119.77 3itl h VAL 403 Ca 0.17 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3itl h VAL 403 Cb 0.51 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3itl h VAL 403 CO -0.50 0.39 0.22 0.00 0.02 0.00 0.00 177.57 177.69 3itl h ALA 404 N 1.20 0.72 -0.38 1.67 0.00 -1.90 -0.61 119.26 119.95 3itl h ALA 404 Ca 0.12 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3itl h ALA 404 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3itl h ALA 404 CO 0.03 0.34 -0.29 1.15 0.00 0.00 0.00 179.25 180.48 3itl h THR 405 N 0.76 1.28 -0.51 0.00 2.02 -1.08 -1.06 112.91 114.32 3itl h THR 405 Ca 0.18 -1.45 0.01 0.00 0.77 0.00 0.00 66.41 65.92 3itl h THR 405 Cb 0.21 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3itl h THR 405 CO -0.01 0.48 0.34 0.22 0.37 0.00 0.00 175.52 176.92 3itl h TYR 406 N 0.70 0.64 -0.13 3.16 3.20 -0.71 -1.00 116.97 122.83 3itl h TYR 406 Ca 0.08 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.82 3itl h TYR 406 Cb 0.84 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3itl h TYR 406 CO 0.05 0.40 -0.53 0.00 -1.64 0.00 0.00 178.16 176.44 3itl h ARG 407 N 0.69 0.37 0.00 1.82 3.08 -0.97 -2.90 114.38 116.47 3itl h ARG 407 Ca 0.19 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3itl h ARG 407 Cb -0.07 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3itl h ARG 407 CO -0.04 0.81 -0.31 0.00 -1.07 0.00 0.00 179.97 179.36 3itl h ALA 408 N 1.15 1.16 0.00 0.04 0.00 -0.82 -2.84 119.26 117.95 3itl h ALA 408 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3itl h ALA 408 Cb 1.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3itl h ALA 408 CO 0.09 0.38 -0.19 0.66 0.00 0.00 0.00 179.25 180.19 3itl h SER 409 N 0.00 0.00 -0.83 0.00 4.64 -0.98 -3.47 113.55 112.91 3itl h SER 409 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3itl h SER 409 Cb 0.70 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.72 3itl h SER 409 CO 0.04 0.19 -0.23 0.61 -0.87 0.00 0.00 176.83 176.58 3itl n GLY 410 N 0.63 0.83 0.17 -0.77 0.00 -1.07 -4.93 105.19 100.04 3itl n GLY 410 Ca 0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 3itl n GLY 410 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3itl h TYR 411 N 0.00 0.11 -0.46 1.61 3.20 -1.86 -1.78 116.97 117.79 3itl h TYR 411 Ca -0.23 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.71 3itl h TYR 411 Cb 0.85 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 3itl h TYR 411 CO 0.30 0.00 0.18 -0.09 -1.64 0.00 0.00 178.16 176.92 3itl h ARG 412 N 0.19 0.36 -0.65 1.82 9.65 -1.91 -0.98 114.38 122.86 3itl h ARG 412 Ca 0.19 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 3itl h ARG 412 Cb 0.24 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 3itl h ARG 412 CO -0.26 0.24 0.30 0.00 2.80 0.00 0.00 179.97 183.05 3itl h ALA 413 N 1.28 1.31 0.21 2.80 0.00 -1.89 -0.44 119.26 122.53 3itl h ALA 413 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3itl h ALA 413 Cb 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3itl h ALA 413 CO -0.20 0.53 -0.10 -0.09 0.00 0.00 0.00 179.25 179.39 3itl h ARG 414 N 0.92 -0.27 0.00 0.00 2.43 -0.39 -2.31 114.38 114.75 3itl h ARG 414 Ca 0.22 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3itl h ARG 414 Cb 0.11 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3itl h ARG 414 CO -0.03 -0.11 -0.26 -0.39 -1.51 0.00 0.00 179.97 177.67 3itl h VAL 415 N -0.37 0.68 -0.20 0.20 -1.51 -1.05 -2.30 116.25 111.71 3itl h VAL 415 Ca -0.03 -1.14 -0.07 0.00 -1.23 0.00 0.00 66.70 64.22 3itl h VAL 415 Cb 0.29 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 3itl h VAL 415 CO 0.05 0.25 -0.21 0.00 -1.23 0.00 0.00 177.57 176.43 3itl h ALA 416 N 1.74 1.29 0.00 5.19 0.00 -0.84 0.99 119.26 127.63 3itl h ALA 416 Ca -0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3itl h ALA 416 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3itl h ALA 416 CO 0.03 0.47 -0.84 0.00 0.00 0.00 0.00 179.25 178.92 3itl h ALA 417 N 1.48 0.58 0.00 0.00 0.00 -0.94 -3.29 119.26 117.09 3itl h ALA 417 Ca 0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3itl h ALA 417 Cb 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3itl h ALA 417 CO 0.04 0.90 -0.70 0.93 0.00 0.00 0.00 179.25 180.42 3itl h GLU 418 N 0.00 0.00 -6.42 0.00 5.08 -1.02 -3.46 114.58 108.76 3itl h GLU 418 Ca -0.04 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.69 3itl h GLU 418 Cb 1.56 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.68 3itl h GLU 418 CO 0.08 0.16 -0.70 1.03 -1.00 0.00 0.00 179.01 178.58 3itl s ARG 419 N -3.15 2.22 0.99 2.33 0.52 0.31 -5.08 118.95 117.08 3itl s ARG 419 Ca 0.02 -1.15 -0.11 0.00 -0.52 0.00 0.00 55.73 53.97 3itl s ARG 419 Cb 0.08 -2.28 0.18 0.00 0.52 0.00 0.00 34.95 33.46 3itl s ARG 419 CO 0.75 0.46 1.09 -2.30 0.02 0.00 0.00 175.30 175.32 3itl n PRO 420 N 0.11 -1.00 0.00 3.54 -0.02 -1.26 -4.77 135.00 131.59 3itl n PRO 420 Ca -0.11 -0.24 0.16 0.00 -2.02 0.00 0.00 63.50 61.29 3itl n PRO 420 Cb 0.55 -2.31 0.87 0.00 -0.02 0.00 0.00 33.50 32.59 3itl n PRO 420 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48