#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i01 h ASN 2 N 0.00 0.00 -0.48 7.83 -0.26 -1.91 -3.12 115.58 117.64 1i01 h ASN 2 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1i01 h ASN 2 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1i01 h ASN 2 CO 0.00 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 176.86 1i01 n PHE 3 N -2.97 0.64 -1.67 1.19 3.01 -0.60 -4.90 117.46 112.15 1i01 n PHE 3 Ca 0.00 -0.46 -0.59 0.00 1.01 0.00 0.00 57.45 57.41 1i01 n PHE 3 Cb 0.25 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.63 1i01 n PHE 3 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1i01 n GLU 4 N 1.02 0.73 -0.31 -1.08 -0.58 -1.18 -0.17 120.64 119.07 1i01 n GLU 4 Ca 0.17 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1i01 n GLU 4 Cb 0.51 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1i01 n GLU 4 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i01 n GLY 5 N 3.50 0.96 3.89 0.62 0.00 -1.26 -5.02 105.19 107.89 1i01 n GLY 5 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1i01 n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i01 s LYS 6 N -0.53 3.42 -0.17 1.61 -0.14 0.76 -5.01 119.74 119.67 1i01 s LYS 6 Ca 0.00 -0.30 -0.02 0.00 -1.36 0.00 0.00 55.97 54.28 1i01 s LYS 6 Cb 0.00 -3.10 -0.02 0.00 -1.68 0.00 0.00 37.83 33.04 1i01 s LYS 6 CO 0.00 0.69 -0.07 0.42 -0.76 0.00 0.00 175.35 175.63 1i01 s ILE 7 N -1.27 3.38 -0.08 2.17 1.01 -1.26 -1.23 121.20 123.91 1i01 s ILE 7 Ca 0.25 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1i01 s ILE 7 Cb -0.12 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 1i01 s ILE 7 CO 0.16 0.48 -0.22 0.00 0.00 0.00 0.00 174.94 175.36 1i01 s ALA 8 N 0.81 2.29 -0.28 9.38 0.00 -0.14 -0.73 121.76 133.08 1i01 s ALA 8 Ca -0.02 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 1i01 s ALA 8 Cb -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1i01 s ALA 8 CO 0.01 0.36 0.08 -1.17 0.00 0.00 0.00 175.76 175.04 1i01 s LEU 9 N 0.02 3.75 -0.26 0.00 2.96 0.77 -0.80 118.68 125.11 1i01 s LEU 9 Ca -0.08 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.22 1i01 s LEU 9 Cb -0.15 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.69 1i01 s LEU 9 CO 0.05 -0.16 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.17 1i01 s VAL 10 N 1.52 2.75 0.32 1.68 1.01 -0.06 -0.95 120.40 126.66 1i01 s VAL 10 Ca 0.03 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 1i01 s VAL 10 Cb -0.17 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 1i01 s VAL 10 CO 0.03 0.12 0.80 0.42 0.00 0.00 0.00 175.10 176.47 1i01 s THR 11 N 1.27 4.53 -1.04 3.92 -4.23 -0.81 -1.28 115.64 118.00 1i01 s THR 11 Ca -0.02 1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.73 1i01 s THR 11 Cb -0.18 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1i01 s THR 11 CO -0.04 -0.06 0.88 0.61 -0.54 0.00 0.00 174.62 175.47 1i01 n GLY 12 N -0.01 -0.25 1.06 3.99 0.00 -0.96 -3.67 105.19 105.36 1i01 n GLY 12 Ca 0.02 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1i01 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i01 n ALA 13 N -3.93 2.88 -0.01 4.61 0.00 -0.74 -4.11 120.51 119.22 1i01 n ALA 13 Ca -0.16 -0.94 -0.11 0.00 0.00 0.00 0.00 53.44 52.23 1i01 n ALA 13 Cb 0.61 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1i01 n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1i01 h SER 14 N 2.42 0.13 -1.75 0.00 0.02 -1.89 -3.28 113.55 109.20 1i01 h SER 14 Ca 0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1i01 h SER 14 Cb 0.98 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1i01 h SER 14 CO 0.15 0.11 0.02 -2.11 -1.14 0.00 0.00 176.83 173.86 1i01 n ARG 15 N -5.00 0.22 0.00 3.45 1.85 -1.26 -4.76 116.66 111.16 1i01 n ARG 15 Ca -0.05 -0.58 0.00 0.00 -1.00 0.00 0.00 57.85 56.22 1i01 n ARG 15 Cb 0.04 0.64 0.00 0.00 -1.05 0.00 0.00 32.46 32.09 1i01 n ARG 15 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i01 n GLY 16 N -0.13 2.59 0.18 2.89 0.00 -1.26 -2.61 105.19 106.85 1i01 n GLY 16 Ca -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1i01 n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i01 h ILE 17 N 0.00 0.75 -0.59 -0.61 2.04 -1.93 -1.70 117.51 115.47 1i01 h ILE 17 Ca 0.00 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 65.87 1i01 h ILE 17 Cb 0.00 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1i01 h ILE 17 CO 0.00 0.04 0.26 1.23 0.00 0.00 0.00 178.15 179.68 1i01 h GLY 18 N 0.20 0.84 1.29 5.37 0.00 -1.65 -0.37 103.07 108.74 1i01 h GLY 18 Ca 0.21 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1i01 h GLY 18 CO -0.29 0.04 -0.45 -0.09 0.00 0.00 0.00 176.54 175.75 1i01 h ARG 19 N 0.48 0.77 -0.89 4.80 2.43 -1.24 -1.75 114.38 118.97 1i01 h ARG 19 Ca 0.29 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1i01 h ARG 19 Cb 0.29 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1i01 h ARG 19 CO -0.25 1.05 0.47 0.00 -1.51 0.00 0.00 179.97 179.74 1i01 h ALA 20 N 0.88 1.15 -0.18 2.80 0.00 -0.83 0.84 119.26 123.93 1i01 h ALA 20 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1i01 h ALA 20 Cb 1.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1i01 h ALA 20 CO 0.10 0.67 0.02 0.82 0.00 0.00 0.00 179.25 180.86 1i01 h ILE 21 N 1.26 1.23 -0.50 0.00 2.04 -0.96 -0.68 117.51 119.90 1i01 h ILE 21 Ca 0.31 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1i01 h ILE 21 Cb 0.05 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1i01 h ILE 21 CO -0.05 0.23 0.27 0.00 0.00 0.00 0.00 178.15 178.61 1i01 h ALA 22 N 0.81 0.64 -0.35 1.87 0.00 -0.90 -1.44 119.26 119.89 1i01 h ALA 22 Ca 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1i01 h ALA 22 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1i01 h ALA 22 CO 0.00 0.16 -0.24 0.93 0.00 0.00 0.00 179.25 180.11 1i01 h GLU 23 N 0.66 0.69 -0.23 0.00 5.08 -0.79 -1.91 114.58 118.07 1i01 h GLU 23 Ca 0.17 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1i01 h GLU 23 Cb 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1i01 h GLU 23 CO -0.03 0.86 -0.05 1.15 -1.00 0.00 0.00 179.01 179.94 1i01 h THR 24 N 0.60 1.28 -0.49 1.13 2.02 -0.88 0.11 112.91 116.68 1i01 h THR 24 Ca 0.08 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.17 1i01 h THR 24 Cb 0.72 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1i01 h THR 24 CO 0.06 0.32 0.04 -0.07 0.37 0.00 0.00 175.52 176.23 1i01 h LEU 25 N 0.18 0.76 -0.40 2.58 3.38 -1.23 -2.19 115.31 118.39 1i01 h LEU 25 Ca 0.06 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1i01 h LEU 25 Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1i01 h LEU 25 CO 0.02 0.80 -0.18 0.00 0.09 0.00 0.00 178.44 179.18 1i01 h ALA 26 N 1.29 0.56 0.00 1.53 0.00 -1.20 -1.25 119.26 120.19 1i01 h ALA 26 Ca 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1i01 h ALA 26 Cb 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1i01 h ALA 26 CO 0.01 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.71 1i01 h ALA 27 N 0.82 1.16 -0.61 0.00 0.00 -0.47 -1.89 119.26 118.26 1i01 h ALA 27 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1i01 h ALA 27 Cb 0.73 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1i01 h ALA 27 CO 0.06 0.07 0.09 0.54 0.00 0.00 0.00 179.25 180.00 1i01 n ARG 28 N -3.38 4.37 -0.30 0.00 1.74 -0.85 -4.86 116.66 113.38 1i01 n ARG 28 Ca -0.02 -3.13 0.00 0.00 -0.77 0.00 0.00 57.85 53.93 1i01 n ARG 28 Cb 0.19 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 1i01 n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i01 n GLY 29 N 0.27 0.65 3.87 -0.13 0.00 -0.71 -1.56 105.19 107.58 1i01 n GLY 29 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1i01 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i01 s ALA 30 N -2.60 3.29 -0.31 4.61 0.00 -0.50 -3.56 121.76 122.68 1i01 s ALA 30 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 1i01 s ALA 30 Cb 0.00 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1i01 s ALA 30 CO 0.00 -0.03 0.61 0.15 0.00 0.00 0.00 175.76 176.48 1i01 s LYS 31 N -3.83 3.86 -0.12 0.00 -0.14 -0.37 -4.33 119.74 114.81 1i01 s LYS 31 Ca 0.53 0.22 -0.02 0.00 -1.36 0.00 0.00 55.97 55.34 1i01 s LYS 31 Cb -0.10 -3.74 -0.03 0.00 -1.68 0.00 0.00 37.83 32.28 1i01 s LYS 31 CO 0.30 -0.58 -0.04 0.08 -0.76 0.00 0.00 175.35 174.36 1i01 s VAL 32 N 2.57 3.93 -0.29 3.17 1.01 -0.30 -0.97 120.40 129.53 1i01 s VAL 32 Ca 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1i01 s VAL 32 Cb -0.15 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.60 1i01 s VAL 32 CO 0.12 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 175.09 1i01 s ILE 33 N -0.10 2.68 0.04 2.22 1.09 0.02 -1.13 121.20 126.01 1i01 s ILE 33 Ca 0.02 -1.52 -0.00 0.00 -1.10 0.00 0.00 60.65 58.05 1i01 s ILE 33 Cb -0.13 -2.57 -0.04 0.00 -1.06 0.00 0.00 42.46 38.66 1i01 s ILE 33 CO 0.02 -0.11 0.17 -0.83 -0.10 0.00 0.00 174.94 174.10 1i01 s GLY 34 N 1.20 2.15 0.28 6.18 0.00 -0.70 -0.89 107.32 115.55 1i01 s GLY 34 Ca -0.06 -0.84 0.11 0.00 0.00 0.00 0.00 44.72 43.94 1i01 s GLY 34 CO -0.03 -0.78 -0.19 -0.51 0.00 0.00 0.00 173.10 171.59 1i01 s THR 35 N -1.41 2.39 0.22 0.90 -4.23 -0.40 -1.18 115.64 111.93 1i01 s THR 35 Ca 0.31 -2.37 -0.07 0.00 -1.18 0.00 0.00 61.69 58.38 1i01 s THR 35 Cb -0.13 -2.31 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 1i01 s THR 35 CO 0.23 -0.40 0.29 0.00 -0.54 0.00 0.00 174.62 174.20 1i01 s ALA 36 N -2.56 0.49 -0.01 3.99 0.00 -0.58 -1.79 121.76 121.30 1i01 s ALA 36 Ca 0.30 -1.29 0.11 0.00 0.00 0.00 0.00 51.96 51.07 1i01 s ALA 36 Cb -0.04 1.21 -0.13 0.00 0.00 0.00 0.00 23.12 24.16 1i01 s ALA 36 CO 0.14 -0.71 1.17 1.79 0.00 0.00 0.00 175.76 178.16 1i01 h THR 37 N 2.46 1.21 -4.90 0.00 1.35 -1.87 0.38 112.91 111.55 1i01 h THR 37 Ca -0.31 -2.83 -0.36 0.00 -0.55 0.00 0.00 66.41 62.36 1i01 h THR 37 Cb 1.25 2.57 -0.05 0.00 -1.73 0.00 0.00 68.15 70.19 1i01 h THR 37 CO 0.45 0.69 -0.21 -1.54 -0.25 0.00 0.00 175.52 174.66 1i01 n SER 38 N -3.21 2.36 0.00 5.36 3.41 -1.26 -4.64 113.62 115.64 1i01 n SER 38 Ca -0.03 -2.20 -0.15 0.00 -0.26 0.00 0.00 58.87 56.23 1i01 n SER 38 Cb 0.89 0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.78 1i01 n SER 38 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1i01 h GLU 39 N 0.00 0.15 -0.59 4.33 4.39 -1.97 -2.47 114.58 118.42 1i01 h GLU 39 Ca -0.22 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.19 1i01 h GLU 39 Cb 0.75 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 1i01 h GLU 39 CO 0.36 0.90 0.25 -0.91 -1.16 0.00 0.00 179.01 178.45 1i01 h ASN 40 N 0.04 0.77 -0.10 1.42 2.35 -1.97 0.60 115.58 118.68 1i01 h ASN 40 Ca -0.34 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.31 1i01 h ASN 40 Cb 2.02 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 40.19 1i01 h ASN 40 CO 0.10 0.68 0.00 1.23 -1.65 0.00 0.00 177.43 177.79 1i01 h GLY 41 N 0.95 0.19 1.05 2.83 0.00 -1.97 0.32 103.07 106.43 1i01 h GLY 41 Ca 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1i01 h GLY 41 CO -0.02 0.13 0.18 0.00 0.00 0.00 0.00 176.54 176.82 1i01 h ALA 42 N 0.74 0.91 -0.42 3.60 0.00 -0.89 -1.34 119.26 121.85 1i01 h ALA 42 Ca 0.03 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1i01 h ALA 42 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1i01 h ALA 42 CO 0.00 0.62 -0.26 0.37 0.00 0.00 0.00 179.25 179.99 1i01 h GLN 43 N 1.03 0.87 -0.75 0.00 4.15 0.26 -1.09 115.11 119.58 1i01 h GLN 43 Ca 0.22 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 1i01 h GLN 43 Cb 0.36 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 1i01 h GLN 43 CO 0.00 1.03 0.37 0.00 -1.93 0.00 0.00 178.83 178.30 1i01 h ALA 44 N 0.96 1.24 -0.25 3.38 0.00 -0.10 -0.63 119.26 123.85 1i01 h ALA 44 Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1i01 h ALA 44 Cb 0.81 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1i01 h ALA 44 CO 0.07 0.59 -0.06 0.82 0.00 0.00 0.00 179.25 180.67 1i01 h ILE 45 N 1.06 1.28 -0.83 0.00 2.04 -0.78 -2.70 117.51 117.58 1i01 h ILE 45 Ca 0.26 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 65.11 1i01 h ILE 45 Cb 0.09 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1i01 h ILE 45 CO -0.04 0.33 0.54 0.28 0.00 0.00 0.00 178.15 179.27 1i01 h SER 46 N 0.22 0.86 0.31 1.72 0.02 -0.83 -1.22 113.55 114.64 1i01 h SER 46 Ca 0.06 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1i01 h SER 46 Cb 0.52 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1i01 h SER 46 CO 0.02 0.58 -0.25 0.44 -1.14 0.00 0.00 176.83 176.48 1i01 h ASP 47 N 1.00 -0.67 1.32 3.07 3.32 -0.90 0.02 116.42 123.58 1i01 h ASP 47 Ca 0.34 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 1i01 h ASP 47 Cb 0.08 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1i01 h ASP 47 CO -0.10 -0.38 -0.01 0.10 -1.72 0.00 0.00 179.24 177.13 1i01 h TYR 48 N -0.57 0.00 0.00 4.55 -0.00 -1.20 -3.08 116.97 116.66 1i01 h TYR 48 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.48 1i01 h TYR 48 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.20 1i01 h TYR 48 CO -0.14 0.01 -1.20 -0.07 -0.00 0.00 0.00 178.16 176.76 1i01 h LEU 49 N 0.00 0.00 0.00 0.10 3.38 -0.92 -3.49 115.31 114.38 1i01 h LEU 49 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i01 h LEU 49 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1i01 h LEU 49 CO 0.00 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1i01 n GLY 50 N 1.41 3.75 0.11 0.83 0.00 -0.03 -1.40 105.19 109.85 1i01 n GLY 50 Ca -0.05 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.16 1i01 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i01 n ALA 51 N 11.86 2.66 1.13 4.61 0.00 -1.26 -3.38 120.51 136.13 1i01 n ALA 51 Ca 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.31 1i01 n ALA 51 Cb 0.00 -1.44 0.28 0.00 0.00 0.00 0.00 19.45 18.29 1i01 n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i01 n ASN 52 N -0.73 2.43 0.00 0.00 3.02 -0.49 -5.04 115.26 114.45 1i01 n ASN 52 Ca 0.23 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 1i01 n ASN 52 Cb 0.17 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1i01 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i01 n GLY 53 N 1.29 -0.65 3.49 7.41 0.00 -1.22 -1.15 105.19 114.37 1i01 n GLY 53 Ca 0.16 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1i01 n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i01 s LYS 54 N -0.56 1.04 -0.02 1.61 2.20 -0.28 -4.60 119.74 119.13 1i01 s LYS 54 Ca 0.00 -0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1i01 s LYS 54 Cb 0.00 0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1i01 s LYS 54 CO 0.00 -0.39 -0.01 0.20 -0.36 0.00 0.00 175.35 174.79 1i01 s GLY 55 N -1.85 1.85 0.04 5.54 0.00 -1.25 -1.71 107.32 109.93 1i01 s GLY 55 Ca -0.04 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.77 1i01 s GLY 55 CO -0.01 -0.77 -0.07 1.08 0.00 0.00 0.00 173.10 173.33 1i01 s LEU 56 N -1.40 2.26 0.06 0.66 1.43 -0.33 -4.70 118.68 116.66 1i01 s LEU 56 Ca 0.18 -0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 52.45 1i01 s LEU 56 Cb -0.11 -0.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.96 1i01 s LEU 56 CO 0.08 -0.24 0.89 -0.32 0.23 0.00 0.00 176.35 177.00 1i01 s MET 57 N -1.59 4.60 -0.23 1.70 -2.45 -1.26 -1.53 119.30 118.53 1i01 s MET 57 Ca -0.11 1.30 -0.04 0.00 -1.25 0.00 0.00 55.69 55.59 1i01 s MET 57 Cb -0.10 -3.40 0.12 0.00 1.25 0.00 0.00 34.83 32.71 1i01 s MET 57 CO -0.00 0.17 0.40 -1.17 1.05 0.00 0.00 175.02 175.46 1i01 s LEU 58 N 0.25 -0.66 -0.70 4.11 1.98 0.13 -4.87 118.68 118.93 1i01 s LEU 58 Ca 0.45 0.52 -0.18 0.00 -2.89 0.00 0.00 54.13 52.03 1i01 s LEU 58 Cb -0.22 1.22 0.14 0.00 0.66 0.00 0.00 46.19 47.99 1i01 s LEU 58 CO 0.27 -0.27 0.77 0.21 -1.89 0.00 0.00 176.35 175.43 1i01 s ASN 59 N 2.58 6.39 0.17 3.68 3.84 -1.26 -4.45 114.94 125.88 1i01 s ASN 59 Ca 0.08 -1.85 0.08 0.00 0.21 0.00 0.00 52.86 51.38 1i01 s ASN 59 Cb -0.14 -2.29 0.46 0.00 -0.55 0.00 0.00 41.25 38.73 1i01 s ASN 59 CO -0.15 -0.96 1.16 1.33 -2.79 0.00 0.00 177.10 175.69 1i01 n VAL 60 N 5.16 1.10 -1.72 -5.21 0.24 -1.26 -4.55 118.33 112.09 1i01 n VAL 60 Ca 0.01 0.63 -0.21 0.00 -2.04 0.00 0.00 64.34 62.73 1i01 n VAL 60 Cb 0.44 -1.63 0.08 0.00 -1.47 0.00 0.00 33.84 31.27 1i01 n VAL 60 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1i01 n THR 61 N -1.77 2.78 0.00 3.34 -2.24 -1.26 -4.75 114.28 110.38 1i01 n THR 61 Ca -0.01 -3.56 0.00 0.00 -2.27 0.00 0.00 64.05 58.22 1i01 n THR 61 Cb 0.18 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1i01 n THR 61 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1i01 n SER 65 N -0.87 0.00 0.04 3.42 2.88 -1.26 -5.16 113.62 112.66 1i01 n SER 65 Ca 0.45 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.87 1i01 n SER 65 Cb 0.91 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.30 1i01 n SER 65 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1i01 h ILE 66 N 0.00 1.02 0.00 2.46 2.04 -1.93 -0.20 117.51 120.90 1i01 h ILE 66 Ca 0.00 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1i01 h ILE 66 Cb 0.00 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1i01 h ILE 66 CO 0.00 0.02 -0.39 -0.08 0.00 0.00 0.00 178.15 177.70 1i01 h GLU 67 N -0.02 0.00 -0.14 2.37 4.57 -1.99 -1.13 114.58 118.24 1i01 h GLU 67 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1i01 h GLU 67 Cb 0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1i01 h GLU 67 CO -0.00 0.39 -0.02 1.03 -1.18 0.00 0.00 179.01 179.23 1i01 h SER 68 N 0.00 0.25 -0.34 1.04 0.87 -1.92 -1.53 113.55 111.93 1i01 h SER 68 Ca -0.00 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1i01 h SER 68 Cb 0.71 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1i01 h SER 68 CO 0.05 0.53 0.12 0.58 -0.53 0.00 0.00 176.83 177.58 1i01 h VAL 69 N -0.03 1.20 -0.10 2.23 2.07 -0.75 -1.96 116.25 118.91 1i01 h VAL 69 Ca 0.04 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1i01 h VAL 69 Cb 0.41 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1i01 h VAL 69 CO 0.01 0.22 -0.05 -0.07 0.02 0.00 0.00 177.57 177.70 1i01 h LEU 70 N 0.40 0.13 -0.27 2.57 3.38 -1.21 -1.24 115.31 119.06 1i01 h LEU 70 Ca 0.11 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1i01 h LEU 70 Cb 0.22 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1i01 h LEU 70 CO -0.01 0.20 -0.34 -0.08 0.09 0.00 0.00 178.44 178.30 1i01 h GLU 71 N 0.14 0.71 -0.53 1.13 4.57 -0.92 -1.36 114.58 118.31 1i01 h GLU 71 Ca 0.03 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 1i01 h GLU 71 Cb 0.18 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1i01 h GLU 71 CO 0.01 1.02 0.28 0.87 -1.18 0.00 0.00 179.01 180.00 1i01 h LYS 72 N 0.44 0.75 -0.73 1.92 1.57 -0.65 -1.84 116.57 118.04 1i01 h LYS 72 Ca 0.03 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1i01 h LYS 72 Cb 0.93 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1i01 h LYS 72 CO 0.08 0.60 0.21 0.82 -0.57 0.00 0.00 179.45 180.60 1i01 h ILE 73 N 0.71 1.26 -0.12 1.86 2.04 -1.22 -2.29 117.51 119.76 1i01 h ILE 73 Ca 0.19 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1i01 h ILE 73 Cb 0.08 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1i01 h ILE 73 CO -0.03 0.36 -0.12 -0.09 0.00 0.00 0.00 178.15 178.28 1i01 h ARG 74 N 1.09 0.19 0.09 2.37 2.43 -0.91 0.31 114.38 119.95 1i01 h ARG 74 Ca 0.23 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 59.08 1i01 h ARG 74 Cb 0.33 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1i01 h ARG 74 CO -0.00 0.32 -1.47 0.00 -1.51 0.00 0.00 179.97 177.30 1i01 h ALA 75 N 1.70 0.34 0.08 2.80 0.00 -1.05 -3.29 119.26 119.83 1i01 h ALA 75 Ca 0.04 -1.12 -0.35 0.00 0.00 0.00 0.00 54.91 53.48 1i01 h ALA 75 Cb 0.32 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1i01 h ALA 75 CO 0.02 1.20 -2.03 -1.91 0.00 0.00 0.00 179.25 176.53 1i01 n GLU 76 N -3.39 0.72 -0.00 0.00 2.13 -0.89 -4.83 120.64 114.38 1i01 n GLU 76 Ca -0.14 0.24 -0.00 0.00 0.66 0.00 0.00 57.16 57.92 1i01 n GLU 76 Cb 1.03 -1.69 -0.00 0.00 0.27 0.00 0.00 31.44 31.05 1i01 n GLU 76 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1i01 n PHE 77 N -3.32 0.00 0.00 4.31 3.01 0.94 -5.10 117.46 117.30 1i01 n PHE 77 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.15 1i01 n PHE 77 Cb 1.05 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 1i01 n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i01 n GLY 78 N 3.28 0.78 3.85 1.37 0.00 -0.27 -4.99 105.19 109.21 1i01 n GLY 78 Ca -0.01 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1i01 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i01 s GLU 79 N -1.82 3.89 -0.13 1.61 8.01 -1.26 -3.33 118.70 125.67 1i01 s GLU 79 Ca 0.00 0.87 -0.25 0.00 0.01 0.00 0.00 54.97 55.60 1i01 s GLU 79 Cb 0.00 -2.16 -0.02 0.00 -4.31 0.00 0.00 34.13 27.63 1i01 s GLU 79 CO 0.00 -0.27 0.80 0.08 0.01 0.00 0.00 175.26 175.88 1i01 s VAL 80 N -2.65 4.93 -0.21 2.63 1.01 -1.26 -4.54 120.40 120.31 1i01 s VAL 80 Ca 0.57 1.60 0.15 0.00 0.00 0.00 0.00 61.98 64.30 1i01 s VAL 80 Cb -0.10 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.93 1i01 s VAL 80 CO 0.34 0.10 0.02 0.47 0.00 0.00 0.00 175.10 176.03 1i01 n ASP 81 N 4.73 0.39 -4.04 3.32 9.92 0.09 -4.60 116.55 126.36 1i01 n ASP 81 Ca 0.03 -0.02 -0.29 0.00 -0.53 0.00 0.00 54.79 53.98 1i01 n ASP 81 Cb 0.50 0.71 -0.17 0.00 -0.64 0.00 0.00 41.12 41.53 1i01 n ASP 81 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1i01 s ILE 82 N -2.50 1.51 -0.18 0.53 1.01 -0.70 -1.58 121.20 119.30 1i01 s ILE 82 Ca -0.15 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 1i01 s ILE 82 Cb 0.07 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1i01 s ILE 82 CO 0.79 0.45 -0.15 -0.22 0.00 0.00 0.00 174.94 175.81 1i01 s LEU 83 N 1.22 2.44 -0.23 2.97 2.96 0.24 -0.16 118.68 128.12 1i01 s LEU 83 Ca -0.01 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1i01 s LEU 83 Cb -0.14 -1.57 0.04 0.00 0.50 0.00 0.00 46.19 45.02 1i01 s LEU 83 CO -0.06 0.03 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.18 1i01 s VAL 84 N 1.12 2.19 -0.27 1.68 1.01 -0.13 -0.55 120.40 125.46 1i01 s VAL 84 Ca 0.01 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 1i01 s VAL 84 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1i01 s VAL 84 CO -0.05 0.21 0.46 0.20 0.00 0.00 0.00 175.10 175.92 1i01 s ASN 85 N 1.19 6.35 0.23 3.32 0.01 0.23 -1.93 114.94 124.35 1i01 s ASN 85 Ca -0.03 0.40 0.08 0.00 -0.71 0.00 0.00 52.86 52.61 1i01 s ASN 85 Cb -0.17 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 1i01 s ASN 85 CO -0.08 -0.25 0.02 0.21 -1.51 0.00 0.00 177.10 175.48 1i01 s ASN 86 N 1.59 4.72 -0.30 -1.22 3.84 -1.24 -0.42 114.94 121.92 1i01 s ASN 86 Ca 0.19 -0.51 -0.15 0.00 0.21 0.00 0.00 52.86 52.59 1i01 s ASN 86 Cb -0.16 -0.96 0.16 0.00 -0.55 0.00 0.00 41.25 39.74 1i01 s ASN 86 CO 0.10 0.03 1.00 -0.62 -2.79 0.00 0.00 177.10 174.82 1i01 s ASP 92 N -3.39 -0.53 0.22 -4.21 -1.08 -1.26 -4.62 116.67 101.81 1i01 s ASP 92 Ca 0.30 0.76 -0.11 0.00 -0.52 0.00 0.00 52.55 52.98 1i01 s ASP 92 Cb -0.08 1.48 0.04 0.00 -1.46 0.00 0.00 42.92 42.91 1i01 s ASP 92 CO 0.20 -0.11 0.56 -0.46 0.52 0.00 0.00 175.17 175.87 1i01 n ASN 93 N 4.50 -1.41 -4.77 -0.34 6.94 -1.26 -5.10 115.26 113.81 1i01 n ASN 93 Ca -0.12 -1.93 -0.38 0.00 -0.02 0.00 0.00 54.58 52.13 1i01 n ASN 93 Cb 0.54 2.34 -0.04 0.00 -2.36 0.00 0.00 39.78 40.27 1i01 n ASN 93 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1i01 s LEU 94 N 0.00 4.30 0.17 -4.53 2.96 -1.26 -3.97 118.68 116.35 1i01 s LEU 94 Ca 0.12 2.17 -0.14 0.00 -0.22 0.00 0.00 54.13 56.05 1i01 s LEU 94 Cb -0.03 -3.96 0.10 0.00 0.50 0.00 0.00 46.19 42.81 1i01 s LEU 94 CO 0.07 -0.39 1.77 -0.07 -1.32 0.00 0.00 176.35 176.41 1i01 h LEU 95 N 3.00 0.26 0.00 -0.68 3.38 -1.97 -1.10 115.31 118.20 1i01 h LEU 95 Ca -0.48 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1i01 h LEU 95 Cb 1.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1i01 h LEU 95 CO 0.64 0.19 0.00 0.23 0.09 0.00 0.00 178.44 179.59 1i01 n MET 96 N -4.95 0.23 -0.01 1.13 2.81 -1.26 -1.87 117.12 113.19 1i01 n MET 96 Ca 0.03 0.14 0.09 0.00 -1.81 0.00 0.00 57.70 56.15 1i01 n MET 96 Cb 0.13 -1.50 -0.16 0.00 -0.71 0.00 0.00 33.22 30.99 1i01 n MET 96 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1i01 n ARG 97 N -1.25 0.66 -1.72 0.03 3.00 -0.46 -4.98 116.66 111.95 1i01 n ARG 97 Ca 0.07 -0.15 -0.38 0.00 -0.00 0.00 0.00 57.85 57.39 1i01 n ARG 97 Cb 0.10 -1.54 0.05 0.00 0.00 0.00 0.00 32.46 31.07 1i01 n ARG 97 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1i01 n MET 98 N -2.34 1.40 -3.87 -0.14 2.81 -0.78 -4.99 117.12 109.20 1i01 n MET 98 Ca -0.07 0.53 -0.21 0.00 -1.81 0.00 0.00 57.70 56.14 1i01 n MET 98 Cb 0.63 -2.49 -0.03 0.00 -0.71 0.00 0.00 33.22 30.62 1i01 n MET 98 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1i01 s LYS 99 N -2.99 3.07 0.31 0.03 -0.14 -1.26 -4.99 119.74 113.77 1i01 s LYS 99 Ca 0.75 -1.02 0.04 0.00 -1.36 0.00 0.00 55.97 54.39 1i01 s LYS 99 Cb -0.41 -2.69 0.66 0.00 -1.68 0.00 0.00 37.83 33.71 1i01 s LYS 99 CO 0.46 0.27 1.84 -0.44 -0.76 0.00 0.00 175.35 176.72 1i01 h ASP 100 N 1.22 0.83 0.32 2.83 3.32 -2.00 -2.66 116.42 120.28 1i01 h ASP 100 Ca -0.48 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1i01 h ASP 100 Cb 1.24 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1i01 h ASP 100 CO 0.59 0.42 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.83 1i01 h GLU 101 N 0.87 -0.70 -0.20 3.56 3.07 -2.00 -1.47 114.58 117.72 1i01 h GLU 101 Ca 0.49 0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.43 1i01 h GLU 101 Cb 0.61 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1i01 h GLU 101 CO -0.26 -0.47 0.01 1.49 -1.40 0.00 0.00 179.01 178.39 1i01 h GLU 102 N -0.73 0.08 -0.71 2.33 4.81 -1.92 -1.57 114.58 116.89 1i01 h GLU 102 Ca -0.02 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1i01 h GLU 102 Cb 0.67 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.94 1i01 h GLU 102 CO -0.09 0.05 0.25 2.35 -0.73 0.00 0.00 179.01 180.84 1i01 h TRP 103 N 0.08 0.42 -0.24 0.92 2.91 -1.28 -1.47 115.95 117.29 1i01 h TRP 103 Ca 0.09 0.04 -0.09 0.00 1.13 0.00 0.00 58.89 60.06 1i01 h TRP 103 Cb 0.10 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 28.67 1i01 h TRP 103 CO -0.16 0.04 -0.20 -0.91 -1.03 0.00 0.00 178.44 176.18 1i01 h ASN 104 N 0.40 0.60 -0.70 2.65 2.35 -0.94 -2.66 115.58 117.27 1i01 h ASN 104 Ca 0.38 -0.46 0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1i01 h ASN 104 Cb 0.57 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 38.69 1i01 h ASN 104 CO -0.40 0.93 0.32 0.44 -1.65 0.00 0.00 177.43 177.08 1i01 h ASP 105 N 0.28 0.39 -0.43 5.81 5.19 -0.73 -0.30 116.42 126.61 1i01 h ASP 105 Ca 0.04 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1i01 h ASP 105 Cb 0.75 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1i01 h ASP 105 CO 0.05 0.21 0.00 0.40 -3.12 0.00 0.00 179.24 176.78 1i01 h ILE 106 N 0.54 1.26 -0.78 0.35 2.04 -1.28 -0.79 117.51 118.85 1i01 h ILE 106 Ca 0.35 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1i01 h ILE 106 Cb 0.42 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1i01 h ILE 106 CO -0.30 0.35 0.31 0.40 0.00 0.00 0.00 178.15 178.92 1i01 h ILE 107 N 0.60 1.26 -0.02 -0.67 1.08 -1.00 -1.50 117.51 117.26 1i01 h ILE 107 Ca 0.12 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.73 1i01 h ILE 107 Cb 0.49 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1i01 h ILE 107 CO 0.02 0.33 -0.18 -0.33 -0.69 0.00 0.00 178.15 177.30 1i01 h GLU 108 N 1.14 0.17 -0.18 2.37 4.39 -0.99 -0.88 114.58 120.59 1i01 h GLU 108 Ca 0.26 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1i01 h GLU 108 Cb 0.21 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1i01 h GLU 108 CO -0.02 0.83 -0.29 1.15 -1.16 0.00 0.00 179.01 179.52 1i01 h THR 109 N -0.44 1.27 0.00 1.13 2.02 -1.12 -2.07 112.91 113.70 1i01 h THR 109 Ca -0.02 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1i01 h THR 109 Cb 0.87 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1i01 h THR 109 CO 0.04 0.39 -0.96 0.59 0.37 0.00 0.00 175.52 175.95 1i01 n ASN 110 N -4.11 1.32 0.02 4.18 5.03 -0.57 -4.64 115.26 116.49 1i01 n ASN 110 Ca -0.01 -0.43 -0.00 0.00 0.87 0.00 0.00 54.58 55.00 1i01 n ASN 110 Cb 0.41 1.23 -0.00 0.00 -1.02 0.00 0.00 39.78 40.39 1i01 n ASN 110 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1i01 n LEU 111 N -1.54 0.65 -0.10 3.41 7.94 -0.55 -4.68 117.00 122.13 1i01 n LEU 111 Ca 0.00 0.09 0.09 0.00 -1.11 0.00 0.00 56.01 55.07 1i01 n LEU 111 Cb 0.23 -0.23 0.44 0.00 0.53 0.00 0.00 43.42 44.39 1i01 n LEU 111 CO 0.23 -0.62 1.19 0.28 -1.11 0.00 0.00 177.39 177.37 1i01 h SER 112 N -0.05 0.48 -0.43 1.96 0.02 -1.26 -2.14 113.55 112.14 1i01 h SER 112 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1i01 h SER 112 Cb 0.05 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1i01 h SER 112 CO 0.00 0.31 0.06 0.77 -1.14 0.00 0.00 176.83 176.83 1i01 h SER 113 N 0.55 0.75 -0.34 3.07 4.64 -1.62 -0.75 113.55 119.84 1i01 h SER 113 Ca 0.27 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 1i01 h SER 113 Cb 0.34 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1i01 h SER 113 CO -0.08 0.78 -0.07 0.58 -0.87 0.00 0.00 176.83 177.17 1i01 h VAL 114 N 0.75 1.25 -0.36 0.95 2.07 -1.66 -0.70 116.25 118.54 1i01 h VAL 114 Ca 0.16 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1i01 h VAL 114 Cb 0.37 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1i01 h VAL 114 CO 0.01 0.37 0.11 0.15 0.02 0.00 0.00 177.57 178.23 1i01 h PHE 115 N 0.69 0.59 -0.54 1.57 3.57 -1.23 -0.82 116.94 120.77 1i01 h PHE 115 Ca 0.13 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1i01 h PHE 115 Cb 0.52 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1i01 h PHE 115 CO 0.03 0.58 -0.12 0.00 -2.23 0.00 0.00 178.31 176.56 1i01 h ARG 116 N 0.44 1.04 -0.19 1.11 3.08 -0.83 -1.95 114.38 117.07 1i01 h ARG 116 Ca 0.12 -0.39 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1i01 h ARG 116 Cb 0.27 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1i01 h ARG 116 CO -0.00 1.09 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.70 1i01 h LEU 117 N 0.92 0.52 -1.11 3.04 3.38 -1.08 -2.08 115.31 118.89 1i01 h LEU 117 Ca 0.14 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1i01 h LEU 117 Cb 0.69 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1i01 h LEU 117 CO 0.05 0.90 0.53 0.28 0.09 0.00 0.00 178.44 180.30 1i01 h SER 118 N 0.15 1.00 -0.65 -0.43 0.02 -1.15 -1.92 113.55 110.57 1i01 h SER 118 Ca 0.03 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1i01 h SER 118 Cb 0.76 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1i01 h SER 118 CO 0.05 0.75 0.09 0.50 -1.14 0.00 0.00 176.83 177.07 1i01 h LYS 119 N 1.16 1.10 0.00 3.45 3.64 -1.30 -2.10 116.57 122.52 1i01 h LYS 119 Ca 0.31 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1i01 h LYS 119 Cb -0.09 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1i01 h LYS 119 CO -0.06 1.02 -0.27 0.00 -2.27 0.00 0.00 179.45 177.86 1i01 h ALA 120 N 1.06 1.12 0.00 5.00 0.00 -0.63 -3.27 119.26 122.53 1i01 h ALA 120 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i01 h ALA 120 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i01 h ALA 120 CO 0.02 0.34 -0.90 1.33 0.00 0.00 0.00 179.25 180.04 1i01 n VAL 121 N -3.59 0.00 -0.18 0.00 0.24 -0.93 -4.67 118.33 109.21 1i01 n VAL 121 Ca -0.01 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.34 62.05 1i01 n VAL 121 Cb 0.41 0.87 0.01 0.00 -1.47 0.00 0.00 33.84 33.67 1i01 n VAL 121 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1i01 h MET 122 N 0.00 0.73 -0.30 7.34 2.07 -1.43 -2.88 114.93 120.46 1i01 h MET 122 Ca 0.00 -0.11 0.07 0.00 -2.07 0.00 0.00 59.70 57.59 1i01 h MET 122 Cb 0.43 -0.13 -0.08 0.00 -1.87 0.00 0.00 31.60 29.95 1i01 h MET 122 CO 0.00 0.62 -0.33 0.00 1.07 0.00 0.00 176.91 178.27 1i01 h ARG 123 N 0.68 -0.29 0.04 1.72 -0.00 -1.83 0.35 114.38 115.04 1i01 h ARG 123 Ca 0.17 0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.70 1i01 h ARG 123 Cb 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.12 1i01 h ARG 123 CO -0.02 -0.20 -0.28 0.00 0.00 0.00 0.00 179.97 179.47 1i01 h ALA 124 N 0.63 -0.43 -0.60 0.04 0.00 -1.87 0.35 119.26 117.38 1i01 h ALA 124 Ca 0.14 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1i01 h ALA 124 Cb 0.54 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1i01 h ALA 124 CO -0.47 -0.80 0.18 0.52 0.00 0.00 0.00 179.25 178.68 1i01 h MET 125 N -0.45 0.33 -0.47 0.00 2.86 -1.13 -0.24 114.93 115.82 1i01 h MET 125 Ca 0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1i01 h MET 125 Cb 0.52 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1i01 h MET 125 CO -0.22 0.22 0.27 0.52 1.06 0.00 0.00 176.91 178.76 1i01 h MET 126 N 0.34 0.65 -0.80 1.72 2.07 0.05 0.63 114.93 119.58 1i01 h MET 126 Ca 0.31 -0.07 -0.03 0.00 -2.07 0.00 0.00 59.70 57.84 1i01 h MET 126 Cb 0.42 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 29.98 1i01 h MET 126 CO -0.35 0.49 0.40 -0.22 1.07 0.00 0.00 176.91 178.31 1i01 h LYS 127 N 0.63 1.15 -0.00 1.72 3.64 -0.07 -0.62 116.57 123.01 1i01 h LYS 127 Ca 0.17 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1i01 h LYS 127 Cb 0.02 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1i01 h LYS 127 CO -0.03 0.88 -0.02 1.63 -2.27 0.00 0.00 179.45 179.64 1i01 n LYS 128 N -4.36 0.28 -2.33 1.90 5.02 -0.18 -4.91 118.16 113.57 1i01 n LYS 128 Ca 0.08 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1i01 n LYS 128 Cb 0.13 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 1i01 n LYS 128 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1i01 n ARG 129 N -1.35 -2.07 -3.72 1.97 1.74 0.21 -4.95 116.66 108.50 1i01 n ARG 129 Ca 0.11 0.66 -0.12 0.00 -0.77 0.00 0.00 57.85 57.74 1i01 n ARG 129 Cb 0.28 -5.23 -0.10 0.00 -1.02 0.00 0.00 32.46 26.38 1i01 n ARG 129 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1i01 s HIS 130 N -2.61 -0.52 -0.20 -1.55 2.46 -0.80 -4.02 115.29 108.05 1i01 s HIS 130 Ca 0.00 1.20 -0.34 0.00 0.47 0.00 0.00 55.06 56.38 1i01 s HIS 130 Cb 0.00 0.20 0.14 0.00 -0.13 0.00 0.00 32.58 32.80 1i01 s HIS 130 CO 0.00 -0.27 1.22 0.20 -2.47 0.00 0.00 174.74 173.41 1i01 s GLY 131 N 0.70 -0.24 -0.03 1.59 0.00 -0.75 -4.58 107.32 104.01 1i01 s GLY 131 Ca -0.04 1.78 -0.00 0.00 0.00 0.00 0.00 44.72 46.46 1i01 s GLY 131 CO -0.05 0.63 0.03 0.50 0.00 0.00 0.00 173.10 174.21 1i01 s ARG 132 N -2.17 0.04 -0.16 2.90 1.81 -0.61 -1.68 118.95 119.07 1i01 s ARG 132 Ca 0.09 0.20 -0.00 0.00 -1.72 0.00 0.00 55.73 54.30 1i01 s ARG 132 Cb -0.01 -0.36 0.04 0.00 -0.45 0.00 0.00 34.95 34.17 1i01 s ARG 132 CO -0.05 -0.20 -0.07 0.42 -0.68 0.00 0.00 175.30 174.73 1i01 s ILE 133 N 1.30 1.21 -0.09 1.52 1.01 -0.14 -0.59 121.20 125.42 1i01 s ILE 133 Ca -0.06 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1i01 s ILE 133 Cb -0.13 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.01 1i01 s ILE 133 CO -0.03 0.18 -0.19 -0.63 0.00 0.00 0.00 174.94 174.27 1i01 s ILE 134 N 1.59 1.68 -0.11 2.92 1.01 0.29 -0.89 121.20 127.69 1i01 s ILE 134 Ca 0.01 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1i01 s ILE 134 Cb -0.15 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1i01 s ILE 134 CO -0.08 0.48 -0.13 -0.89 0.00 0.00 0.00 174.94 174.32 1i01 s THR 135 N 0.50 3.08 -0.25 2.92 2.01 -0.62 -0.60 115.64 122.68 1i01 s THR 135 Ca -0.16 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 1i01 s THR 135 Cb -0.17 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1i01 s THR 135 CO 0.06 0.54 0.42 -0.63 -0.69 0.00 0.00 174.62 174.32 1i01 s ILE 136 N 0.13 5.15 1.08 1.82 1.09 0.44 -1.13 121.20 129.77 1i01 s ILE 136 Ca -0.06 0.69 -0.14 0.00 -1.10 0.00 0.00 60.65 60.04 1i01 s ILE 136 Cb -0.15 -3.74 0.23 0.00 -1.06 0.00 0.00 42.46 37.74 1i01 s ILE 136 CO 0.05 0.15 1.08 -0.83 -0.10 0.00 0.00 174.94 175.28 1i01 s GLY 137 N 1.50 1.55 0.25 6.18 0.00 0.34 -4.73 107.32 112.41 1i01 s GLY 137 Ca 0.18 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 1i01 s GLY 137 CO 0.09 0.26 1.22 -0.56 0.00 0.00 0.00 173.10 174.12 1i01 s SER 138 N -3.31 7.02 0.95 1.64 0.01 -1.26 -4.61 113.70 114.14 1i01 s SER 138 Ca 0.67 2.40 -0.12 0.00 1.31 0.00 0.00 55.95 60.21 1i01 s SER 138 Cb -0.19 -2.62 0.16 0.00 0.21 0.00 0.00 66.02 63.58 1i01 s SER 138 CO 0.59 -0.38 1.09 -0.69 0.41 0.00 0.00 173.24 174.26 1i01 s VAL 139 N -0.61 2.45 -0.12 3.43 1.01 -1.26 -4.68 120.40 120.62 1i01 s VAL 139 Ca 0.50 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1i01 s VAL 139 Cb -0.35 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1i01 s VAL 139 CO 0.42 -0.19 -0.02 -0.69 0.00 0.00 0.00 175.10 174.63 1i01 s VAL 140 N -2.86 4.12 0.00 2.92 1.01 -1.19 -5.06 120.40 119.34 1i01 s VAL 140 Ca 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1i01 s VAL 140 Cb -0.19 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1i01 s VAL 140 CO 0.58 0.55 0.00 0.00 0.00 0.00 0.00 175.10 176.23 1i01 n ALA 149 N 2.76 1.91 0.71 5.51 0.00 -1.26 -4.99 120.51 125.15 1i01 n ALA 149 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1i01 n ALA 149 Cb 0.53 0.08 0.48 0.00 0.00 0.00 0.00 19.45 20.54 1i01 n ALA 149 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1i01 n ASN 150 N -1.57 0.22 -0.63 0.00 6.94 -1.25 -2.23 115.26 116.74 1i01 n ASN 150 Ca 0.00 0.53 0.08 0.00 -0.02 0.00 0.00 54.58 55.17 1i01 n ASN 150 Cb 0.09 -0.59 0.06 0.00 -2.36 0.00 0.00 39.78 36.98 1i01 n ASN 150 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1i01 n TYR 151 N -1.72 0.00 -0.20 -2.53 4.02 -1.26 -4.66 117.16 110.80 1i01 n TYR 151 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1i01 n TYR 151 Cb 0.29 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.72 1i01 n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i01 h ALA 152 N 3.15 0.78 -0.13 -0.72 0.00 -1.89 -1.18 119.26 119.26 1i01 h ALA 152 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1i01 h ALA 152 Cb 0.67 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1i01 h ALA 152 CO 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 179.25 178.69 1i01 h ALA 153 N 1.44 0.22 -0.65 0.00 0.00 -1.83 -2.53 119.26 115.90 1i01 h ALA 153 Ca 0.31 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1i01 h ALA 153 Cb 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1i01 h ALA 153 CO -0.33 0.28 0.32 0.00 0.00 0.00 0.00 179.25 179.51 1i01 h ALA 154 N 0.53 0.84 -0.22 0.00 0.00 -1.83 0.23 119.26 118.81 1i01 h ALA 154 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1i01 h ALA 154 Cb 0.95 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1i01 h ALA 154 CO 0.07 0.40 0.06 -0.22 0.00 0.00 0.00 179.25 179.57 1i01 h LYS 155 N 0.90 0.34 -0.34 0.00 3.64 -1.28 -0.34 116.57 119.49 1i01 h LYS 155 Ca 0.22 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 1i01 h LYS 155 Cb 0.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1i01 h LYS 155 CO -0.03 0.44 -0.24 0.00 -2.27 0.00 0.00 179.45 177.35 1i01 h ALA 156 N 0.89 0.94 -0.19 5.00 0.00 -1.31 -2.48 119.26 122.10 1i01 h ALA 156 Ca 0.07 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1i01 h ALA 156 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1i01 h ALA 156 CO -0.00 0.61 -0.27 0.78 0.00 0.00 0.00 179.25 180.37 1i01 h GLY 157 N 0.99 0.39 0.94 0.00 0.00 -0.35 -1.81 103.07 103.23 1i01 h GLY 157 Ca 0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1i01 h GLY 157 CO 0.06 0.28 0.11 -2.00 0.00 0.00 0.00 176.54 174.99 1i01 h LEU 158 N 0.32 0.62 -0.57 3.11 5.85 -0.74 0.64 115.31 124.54 1i01 h LEU 158 Ca 0.05 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 1i01 h LEU 158 Cb 0.64 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1i01 h LEU 158 CO 0.05 0.68 -0.12 0.40 -0.34 0.00 0.00 178.44 179.11 1i01 h ILE 159 N 0.53 1.27 -0.62 4.05 2.04 -1.26 -1.19 117.51 122.32 1i01 h ILE 159 Ca 0.13 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 1i01 h ILE 159 Cb 0.30 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1i01 h ILE 159 CO -0.00 0.45 0.18 1.23 0.00 0.00 0.00 178.15 180.01 1i01 h GLY 160 N 0.93 1.05 0.95 5.37 0.00 -1.11 -1.62 103.07 108.64 1i01 h GLY 160 Ca 0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1i01 h GLY 160 CO 0.05 0.59 0.17 -2.75 0.00 0.00 0.00 176.54 174.60 1i01 h PHE 161 N 0.90 0.62 -0.59 5.60 3.57 -0.66 -2.31 116.94 124.06 1i01 h PHE 161 Ca 0.20 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1i01 h PHE 161 Cb 0.31 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1i01 h PHE 161 CO 0.02 0.54 0.28 0.77 -2.23 0.00 0.00 178.31 177.70 1i01 h SER 162 N 0.51 0.77 -0.71 0.41 0.02 -1.01 0.14 113.55 113.69 1i01 h SER 162 Ca 0.14 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1i01 h SER 162 Cb 0.18 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1i01 h SER 162 CO -0.01 0.69 0.18 0.11 -1.14 0.00 0.00 176.83 176.65 1i01 h LYS 163 N 0.81 1.13 -0.24 3.45 1.57 -1.24 0.14 116.57 122.18 1i01 h LYS 163 Ca 0.20 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1i01 h LYS 163 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1i01 h LYS 163 CO -0.03 0.99 -0.10 1.03 -0.57 0.00 0.00 179.45 180.77 1i01 h SER 164 N 1.06 0.50 -0.51 0.86 0.87 -1.13 -2.82 113.55 112.39 1i01 h SER 164 Ca 0.22 -0.40 -0.09 0.00 -1.23 0.00 0.00 61.79 60.29 1i01 h SER 164 Cb 0.37 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1i01 h SER 164 CO 0.00 0.79 -0.02 0.25 -0.53 0.00 0.00 176.83 177.32 1i01 h LEU 165 N 0.21 0.93 -0.55 2.23 5.85 -0.60 -2.79 115.31 120.60 1i01 h LEU 165 Ca 0.05 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1i01 h LEU 165 Cb 0.59 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1i01 h LEU 165 CO 0.03 1.00 0.21 0.00 -0.34 0.00 0.00 178.44 179.35 1i01 h ALA 166 N 1.09 0.69 -0.27 1.25 0.00 -0.64 -1.26 119.26 120.13 1i01 h ALA 166 Ca 0.16 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1i01 h ALA 166 Cb 0.54 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1i01 h ALA 166 CO 0.03 -0.19 -0.24 0.00 0.00 0.00 0.00 179.25 178.85 1i01 h ARG 167 N 0.40 0.51 -0.55 0.00 3.08 -1.33 -1.77 114.38 114.72 1i01 h ARG 167 Ca 0.27 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1i01 h ARG 167 Cb 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1i01 h ARG 167 CO -0.26 0.72 0.00 1.49 -1.07 0.00 0.00 179.97 180.85 1i01 h GLU 168 N 0.46 0.97 -0.29 0.04 4.81 -1.01 -3.30 114.58 116.26 1i01 h GLU 168 Ca 0.07 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1i01 h GLU 168 Cb 0.67 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1i01 h GLU 168 CO 0.05 0.98 0.00 1.33 -0.73 0.00 0.00 179.01 180.64 1i01 n VAL 169 N -4.26 0.53 -0.37 0.32 0.24 -0.59 -4.63 118.33 109.57 1i01 n VAL 169 Ca 0.02 -0.76 0.01 0.00 -2.04 0.00 0.00 64.34 61.56 1i01 n VAL 169 Cb 0.33 0.91 0.15 0.00 -1.47 0.00 0.00 33.84 33.75 1i01 n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i01 h ALA 170 N 3.21 1.33 0.00 2.33 0.00 -1.40 -2.05 119.26 122.68 1i01 h ALA 170 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i01 h ALA 170 Cb 0.79 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1i01 h ALA 170 CO 0.00 0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 1i01 n SER 171 N -4.47 0.68 -0.88 0.00 3.41 -1.26 -2.13 113.62 108.97 1i01 n SER 171 Ca 0.14 0.69 0.09 0.00 -0.26 0.00 0.00 58.87 59.53 1i01 n SER 171 Cb 0.12 -0.83 0.26 0.00 -0.26 0.00 0.00 64.21 63.49 1i01 n SER 171 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i01 n ARG 172 N -2.28 2.12 -1.38 4.33 5.12 -0.77 -4.93 116.66 118.87 1i01 n ARG 172 Ca 0.01 -1.73 -0.01 0.00 -1.93 0.00 0.00 57.85 54.20 1i01 n ARG 172 Cb 0.19 -1.41 -0.00 0.00 -1.16 0.00 0.00 32.46 30.08 1i01 n ARG 172 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i01 n GLY 173 N 1.30 0.41 3.37 -0.13 0.00 -0.90 -3.48 105.19 105.74 1i01 n GLY 173 Ca 0.17 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1i01 n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i01 s ILE 174 N -2.04 2.80 -0.01 -0.61 1.01 -1.21 -1.80 121.20 119.35 1i01 s ILE 174 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1i01 s ILE 174 Cb 0.00 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1i01 s ILE 174 CO 0.00 0.55 -0.10 0.42 0.00 0.00 0.00 174.94 175.82 1i01 s THR 175 N 0.01 3.43 -0.16 2.92 -4.23 -0.68 -3.93 115.64 113.00 1i01 s THR 175 Ca -0.05 -0.80 -0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1i01 s THR 175 Cb -0.15 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1i01 s THR 175 CO 0.04 0.44 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.79 1i01 s VAL 176 N -0.93 1.29 0.23 2.29 1.01 -1.26 -0.97 120.40 122.07 1i01 s VAL 176 Ca 0.15 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1i01 s VAL 176 Cb -0.11 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1i01 s VAL 176 CO 0.05 0.25 0.05 0.20 0.00 0.00 0.00 175.10 175.66 1i01 s ASN 177 N 1.57 1.36 -0.02 3.32 0.01 -0.07 -0.05 114.94 121.05 1i01 s ASN 177 Ca 0.02 -1.30 0.04 0.00 -0.71 0.00 0.00 52.86 50.92 1i01 s ASN 177 Cb -0.14 0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.62 1i01 s ASN 177 CO -0.09 -0.64 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.02 1i01 s VAL 178 N -3.65 1.26 -0.19 1.60 1.01 -0.27 -1.59 120.40 118.57 1i01 s VAL 178 Ca 0.32 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1i01 s VAL 178 Cb 0.07 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 1i01 s VAL 178 CO 0.10 0.36 -0.10 -0.69 0.00 0.00 0.00 175.10 174.77 1i01 s VAL 179 N -0.16 3.01 -0.50 2.92 1.01 -0.28 -0.09 120.40 126.31 1i01 s VAL 179 Ca 0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1i01 s VAL 179 Cb -0.08 -2.32 0.13 0.00 0.00 0.00 0.00 36.38 34.10 1i01 s VAL 179 CO 0.00 0.48 0.33 0.00 0.00 0.00 0.00 175.10 175.91 1i01 s ALA 180 N 1.13 3.38 0.61 5.51 0.00 -0.21 -0.51 121.76 131.67 1i01 s ALA 180 Ca 0.01 -2.72 -0.15 0.00 0.00 0.00 0.00 51.96 49.10 1i01 s ALA 180 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1i01 s ALA 180 CO -0.03 -1.93 1.06 -1.25 0.00 0.00 0.00 175.76 173.61 1i01 s PRO 181 N 0.93 3.25 0.00 0.00 0.04 -1.26 -1.71 135.00 136.26 1i01 s PRO 181 Ca 0.09 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1i01 s PRO 181 Cb -0.23 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1i01 s PRO 181 CO -0.03 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1i01 n GLY 182 N -1.20 0.79 3.55 0.56 0.00 -0.60 -4.47 105.19 103.81 1i01 n GLY 182 Ca 0.08 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1i01 n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i01 s PHE 183 N 4.10 2.64 -0.30 1.61 0.40 -1.26 -3.17 117.98 122.00 1i01 s PHE 183 Ca 0.00 0.14 -0.09 0.00 -0.60 0.00 0.00 56.93 56.39 1i01 s PHE 183 Cb 0.00 -4.35 -0.01 0.00 0.51 0.00 0.00 43.02 39.17 1i01 s PHE 183 CO 0.00 -1.56 0.13 0.42 0.70 0.00 0.00 175.22 174.91 1i01 s ILE 184 N 4.61 4.50 -0.47 0.64 -1.09 -1.26 -1.79 121.20 126.34 1i01 s ILE 184 Ca 0.36 -0.38 -0.36 0.00 -2.23 0.00 0.00 60.65 58.05 1i01 s ILE 184 Cb -0.10 -3.25 -0.14 0.00 -1.58 0.00 0.00 42.46 37.39 1i01 s ILE 184 CO 0.21 0.13 2.26 1.21 -1.23 0.00 0.00 174.94 177.52 1i01 n GLU 185 N 4.96 0.71 0.00 2.79 4.07 -0.71 -4.85 120.64 127.62 1i01 n GLU 185 Ca -0.14 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1i01 n GLU 185 Cb 0.50 -2.23 0.00 0.00 -0.06 0.00 0.00 31.44 29.65 1i01 n GLU 185 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1i01 n THR 186 N 7.16 0.00 -0.06 6.31 -2.24 -1.26 -4.63 114.28 119.56 1i01 n THR 186 Ca 0.47 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.17 1i01 n THR 186 Cb 0.18 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 1i01 n THR 186 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1i01 n ASP 187 N 0.00 2.57 0.42 3.42 8.00 -1.26 -4.20 116.55 125.50 1i01 n ASP 187 Ca 0.00 -0.04 -0.19 0.00 0.71 0.00 0.00 54.79 55.27 1i01 n ASP 187 Cb 0.00 0.26 -0.09 0.00 -0.02 0.00 0.00 41.12 41.27 1i01 n ASP 187 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1i01 h MET 188 N 0.00 -1.01 0.00 -1.24 2.86 -1.97 -1.87 114.93 111.70 1i01 h MET 188 Ca -0.31 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1i01 h MET 188 Cb 1.59 0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.48 1i01 h MET 188 CO -0.02 -0.67 0.11 0.25 1.06 0.00 0.00 176.91 177.64 1i01 n THR 189 N -5.54 0.97 -0.06 2.22 -2.24 -1.26 -1.77 114.28 106.61 1i01 n THR 189 Ca -0.15 0.71 -0.04 0.00 -2.27 0.00 0.00 64.05 62.30 1i01 n THR 189 Cb 0.42 -1.71 0.17 0.00 -2.10 0.00 0.00 70.33 67.10 1i01 n THR 189 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1i01 h ARG 190 N 0.00 0.67 0.00 -0.78 2.47 -1.50 -3.47 114.38 111.77 1i01 h ARG 190 Ca 0.00 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1i01 h ARG 190 Cb 0.21 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1i01 h ARG 190 CO 0.00 0.78 0.00 0.00 0.56 0.00 0.00 179.97 181.31 1i01 n ALA 191 N -2.48 -0.04 0.00 0.04 0.00 -0.73 -5.12 120.51 112.19 1i01 n ALA 191 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1i01 n ALA 191 Cb 0.36 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1i01 n ALA 191 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1i01 n ARG 197 N -0.93 0.00 0.31 0.00 0.63 -1.26 -5.16 116.66 110.24 1i01 n ARG 197 Ca 0.00 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.12 1i01 n ARG 197 Cb 0.00 0.00 1.04 0.00 0.45 0.00 0.00 32.46 33.95 1i01 n ARG 197 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1i01 h ALA 198 N 0.00 1.30 -0.71 5.13 0.00 -2.02 -0.59 119.26 122.36 1i01 h ALA 198 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1i01 h ALA 198 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1i01 h ALA 198 CO 0.00 -0.08 0.24 0.78 0.00 0.00 0.00 179.25 180.19 1i01 h GLY 199 N 0.00 1.18 1.23 0.00 0.00 -2.06 0.11 103.07 103.53 1i01 h GLY 199 Ca 0.01 -0.68 -0.33 0.00 0.00 0.00 0.00 47.33 46.33 1i01 h GLY 199 CO -0.00 0.64 -1.52 0.16 0.00 0.00 0.00 176.54 175.82 1i01 h ILE 200 N 1.04 1.22 -0.78 2.60 3.07 -1.60 -3.29 117.51 119.77 1i01 h ILE 200 Ca 0.23 -2.73 0.05 0.00 1.55 0.00 0.00 64.86 63.97 1i01 h ILE 200 Cb 0.28 2.93 -0.05 0.00 -0.27 0.00 0.00 36.82 39.71 1i01 h ILE 200 CO -0.01 0.84 0.51 -0.07 -1.05 0.00 0.00 178.15 178.37 1i01 h LEU 201 N 0.12 0.77 -0.80 0.16 4.07 -1.17 0.35 115.31 118.80 1i01 h LEU 201 Ca -0.26 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1i01 h LEU 201 Cb 2.11 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.68 1i01 h LEU 201 CO 0.23 0.51 0.00 0.00 -1.08 0.00 0.00 178.44 178.09 1i01 n ALA 202 N -2.43 1.34 0.31 1.53 0.00 0.36 -1.10 120.51 120.51 1i01 n ALA 202 Ca 0.11 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1i01 n ALA 202 Cb 0.18 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.40 1i01 n ALA 202 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1i01 h GLN 203 N 0.00 0.00 -5.00 0.00 4.20 -0.40 -3.45 115.11 110.47 1i01 h GLN 203 Ca 0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 1i01 h GLN 203 Cb 0.16 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 27.68 1i01 h GLN 203 CO 0.00 0.00 -0.70 0.54 -0.67 0.00 0.00 178.83 178.00 1i01 s VAL 204 N -3.28 3.59 0.36 -0.54 0.11 -0.26 -4.60 120.40 115.78 1i01 s VAL 204 Ca 0.02 -0.42 0.09 0.00 -2.93 0.00 0.00 61.98 58.75 1i01 s VAL 204 Cb 0.11 -2.64 0.32 0.00 -1.53 0.00 0.00 36.38 32.64 1i01 s VAL 204 CO 0.77 0.41 1.89 -0.65 -3.33 0.00 0.00 175.10 174.18 1i01 h PRO 205 N 8.09 0.65 0.00 1.54 0.11 -1.81 -0.81 132.00 139.77 1i01 h PRO 205 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1i01 h PRO 205 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1i01 h PRO 205 CO 0.60 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 1i01 h ALA 206 N 1.60 1.00 0.00 -0.75 0.00 -1.80 -3.46 119.26 115.86 1i01 h ALA 206 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1i01 h ALA 206 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1i01 h ALA 206 CO -0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.48 1i01 n GLY 207 N -0.75 0.36 3.24 0.00 0.00 -0.31 -4.98 105.19 102.76 1i01 n GLY 207 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1i01 n GLY 207 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i01 s ARG 208 N -0.71 1.14 0.29 1.61 1.70 -1.26 -5.04 118.95 116.68 1i01 s ARG 208 Ca 0.00 -1.48 -0.06 0.00 -0.47 0.00 0.00 55.73 53.73 1i01 s ARG 208 Cb 0.00 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1i01 s ARG 208 CO 0.00 -0.38 0.57 -0.51 -1.08 0.00 0.00 175.30 173.90 1i01 s LEU 209 N -3.09 4.06 0.49 -1.89 1.43 -1.26 -4.97 118.68 113.44 1i01 s LEU 209 Ca 0.30 0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 54.08 1i01 s LEU 209 Cb 0.06 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 1i01 s LEU 209 CO 0.07 -0.19 0.83 -0.83 0.23 0.00 0.00 176.35 176.46 1i01 s GLY 210 N -3.08 1.66 0.23 -3.19 0.00 -0.74 -4.80 107.32 97.40 1i01 s GLY 210 Ca 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1i01 s GLY 210 CO 0.29 -0.13 0.44 -0.32 0.00 0.00 0.00 173.10 173.38 1i01 s GLY 211 N -3.85 1.82 0.40 0.20 0.00 -1.26 -1.74 107.32 102.90 1i01 s GLY 211 Ca 0.50 -0.74 0.09 0.00 0.00 0.00 0.00 44.72 44.57 1i01 s GLY 211 CO 0.43 -0.67 2.01 0.00 0.00 0.00 0.00 173.10 174.87 1i01 h ALA 212 N 1.92 1.79 0.00 3.20 0.00 -1.93 -0.79 119.26 123.45 1i01 h ALA 212 Ca -0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1i01 h ALA 212 Cb 1.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1i01 h ALA 212 CO 0.67 0.13 -0.16 0.37 0.00 0.00 0.00 179.25 180.27 1i01 h GLN 213 N 0.58 0.00 -0.07 0.00 5.75 -1.93 -2.33 115.11 117.11 1i01 h GLN 213 Ca 0.23 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.64 1i01 h GLN 213 Cb 0.20 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1i01 h GLN 213 CO -0.06 0.16 -0.40 0.93 -2.65 0.00 0.00 178.83 176.80 1i01 h GLU 214 N 0.00 0.15 -0.07 1.69 5.08 -1.53 -0.05 114.58 119.86 1i01 h GLU 214 Ca -0.00 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 1i01 h GLU 214 Cb 0.29 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1i01 h GLU 214 CO 0.02 0.54 -0.89 0.82 -1.00 0.00 0.00 179.01 178.50 1i01 h ILE 215 N 0.13 1.30 -0.50 3.13 5.03 -1.44 -3.08 117.51 122.08 1i01 h ILE 215 Ca 0.01 -2.14 -0.03 0.00 -0.12 0.00 0.00 64.86 62.58 1i01 h ILE 215 Cb 0.78 2.18 -0.02 0.00 -3.03 0.00 0.00 36.82 36.72 1i01 h ILE 215 CO 0.06 0.66 0.19 0.00 -0.68 0.00 0.00 178.15 178.39 1i01 h ALA 216 N 0.56 1.41 -0.57 1.87 0.00 -1.01 -1.09 119.26 120.44 1i01 h ALA 216 Ca -0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1i01 h ALA 216 Cb 1.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1i01 h ALA 216 CO 0.17 0.45 0.10 -0.91 0.00 0.00 0.00 179.25 179.06 1i01 h ASN 217 N 0.71 0.90 -0.47 0.00 2.35 -1.01 0.15 115.58 118.21 1i01 h ASN 217 Ca 0.17 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1i01 h ASN 217 Cb 0.15 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1i01 h ASN 217 CO -0.02 0.93 0.07 0.00 -1.65 0.00 0.00 177.43 176.77 1i01 h ALA 218 N 1.00 0.62 -0.22 -0.83 0.00 -1.36 -1.11 119.26 117.37 1i01 h ALA 218 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1i01 h ALA 218 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i01 h ALA 218 CO 0.01 0.35 0.10 0.28 0.00 0.00 0.00 179.25 179.99 1i01 h VAL 219 N 0.64 1.15 -0.99 0.00 2.07 -1.04 -1.78 116.25 116.31 1i01 h VAL 219 Ca 0.14 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1i01 h VAL 219 Cb 0.40 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1i01 h VAL 219 CO 0.01 0.15 0.63 0.00 0.02 0.00 0.00 177.57 178.38 1i01 h ALA 220 N 0.95 1.40 0.01 1.67 0.00 -0.79 -0.59 119.26 121.90 1i01 h ALA 220 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i01 h ALA 220 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1i01 h ALA 220 CO -0.01 0.37 -0.00 0.35 0.00 0.00 0.00 179.25 179.96 1i01 h PHE 221 N 1.11 -0.01 0.00 0.00 3.57 -0.87 -2.57 116.94 118.17 1i01 h PHE 221 Ca 0.44 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.91 1i01 h PHE 221 Cb 0.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1i01 h PHE 221 CO -0.01 0.17 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.01 1i01 h LEU 222 N -0.18 0.00 0.00 0.59 3.38 -0.78 -2.52 115.31 115.80 1i01 h LEU 222 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1i01 h LEU 222 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1i01 h LEU 222 CO 0.00 0.16 -0.10 0.00 0.09 0.00 0.00 178.44 178.60 1i01 h ALA 223 N 1.84 0.94 -2.28 1.53 0.00 -0.99 -3.44 119.26 116.86 1i01 h ALA 223 Ca -0.00 -0.08 -0.45 0.00 0.00 0.00 0.00 54.91 54.38 1i01 h ALA 223 Cb 0.36 -0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.28 1i01 h ALA 223 CO 0.02 0.10 0.35 -1.54 0.00 0.00 0.00 179.25 178.18 1i01 s SER 224 N -6.24 3.24 0.49 0.00 1.04 -0.95 -4.94 113.70 106.34 1i01 s SER 224 Ca 0.06 0.61 0.29 0.00 0.48 0.00 0.00 55.95 57.39 1i01 s SER 224 Cb 0.05 -0.91 0.89 0.00 0.10 0.00 0.00 66.02 66.15 1i01 s SER 224 CO 0.68 -2.69 1.81 0.44 0.98 0.00 0.00 173.24 174.47 1i01 h ASP 225 N -1.60 0.00 0.33 7.02 3.32 -1.90 -2.90 116.42 120.69 1i01 h ASP 225 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1i01 h ASP 225 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1i01 h ASP 225 CO 0.50 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.40 1i01 n GLU 226 N -3.07 0.13 -0.69 3.56 1.02 -1.26 -2.59 120.64 117.73 1i01 n GLU 226 Ca 0.02 0.20 0.06 0.00 -0.02 0.00 0.00 57.16 57.42 1i01 n GLU 226 Cb 0.41 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.51 1i01 n GLU 226 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i01 n ALA 227 N -1.36 3.45 0.28 0.62 0.00 -1.09 -4.81 120.51 117.59 1i01 n ALA 227 Ca 0.05 -3.15 0.15 0.00 0.00 0.00 0.00 53.44 50.49 1i01 n ALA 227 Cb 0.13 -0.40 0.78 0.00 0.00 0.00 0.00 19.45 19.96 1i01 n ALA 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i01 h ALA 228 N 0.96 1.18 -0.58 0.00 0.00 -1.65 -2.46 119.26 116.70 1i01 h ALA 228 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1i01 h ALA 228 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1i01 h ALA 228 CO 0.01 0.11 0.00 0.98 0.00 0.00 0.00 179.25 180.35 1i01 n TYR 229 N -3.46 0.77 -3.70 0.00 9.36 -1.26 -4.85 117.16 114.02 1i01 n TYR 229 Ca -0.01 -0.39 -0.37 0.00 3.32 0.00 0.00 57.90 60.44 1i01 n TYR 229 Cb 0.23 -0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.82 1i01 n TYR 229 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1i01 s ILE 230 N -1.21 4.51 -0.09 2.97 1.01 -0.93 -5.08 121.20 122.38 1i01 s ILE 230 Ca 0.44 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.63 1i01 s ILE 230 Cb 0.24 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.57 1i01 s ILE 230 CO 0.32 0.22 0.52 0.28 0.00 0.00 0.00 174.94 176.28 1i01 s THR 231 N 1.63 0.02 -0.51 2.92 -1.32 -1.26 -4.69 115.64 112.42 1i01 s THR 231 Ca 0.06 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1i01 s THR 231 Cb -0.16 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1i01 s THR 231 CO 0.05 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1i01 n GLY 232 N 1.67 0.75 3.84 6.08 0.00 0.93 -4.95 105.19 113.51 1i01 n GLY 232 Ca -0.18 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1i01 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i01 s GLU 233 N -2.14 3.21 -0.35 1.61 2.56 -1.26 -4.75 118.70 117.58 1i01 s GLU 233 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 54.97 54.47 1i01 s GLU 233 Cb 0.00 -2.94 0.07 0.00 2.00 0.00 0.00 34.13 33.25 1i01 s GLU 233 CO 0.00 0.64 0.11 0.99 -0.56 0.00 0.00 175.26 176.43 1i01 s THR 234 N -1.32 3.40 -0.43 -1.70 2.01 -1.26 -1.12 115.64 115.23 1i01 s THR 234 Ca 0.27 -1.50 -0.20 0.00 0.31 0.00 0.00 61.69 60.58 1i01 s THR 234 Cb -0.12 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.34 1i01 s THR 234 CO 0.19 -0.32 0.59 -0.22 -0.69 0.00 0.00 174.62 174.17 1i01 s LEU 235 N 1.28 4.57 -0.02 4.42 2.96 0.88 -4.91 118.68 127.85 1i01 s LEU 235 Ca 0.00 -0.38 -0.24 0.00 -0.22 0.00 0.00 54.13 53.29 1i01 s LEU 235 Cb -0.21 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1i01 s LEU 235 CO -0.01 -0.71 0.73 -1.00 -1.32 0.00 0.00 176.35 174.04 1i01 s HIS 236 N 2.64 3.64 -0.56 5.38 3.76 -1.26 -1.04 115.29 127.84 1i01 s HIS 236 Ca 0.20 1.35 0.04 0.00 -0.15 0.00 0.00 55.06 56.50 1i01 s HIS 236 Cb -0.15 -2.82 0.16 0.00 1.11 0.00 0.00 32.58 30.88 1i01 s HIS 236 CO 0.17 0.16 0.38 0.08 -0.85 0.00 0.00 174.74 174.68 1i01 s VAL 237 N 0.48 1.96 -0.02 -0.90 1.01 -0.69 -4.93 120.40 117.32 1i01 s VAL 237 Ca 0.38 -3.45 0.05 0.00 0.00 0.00 0.00 61.98 58.96 1i01 s VAL 237 Cb -0.19 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 33.95 1i01 s VAL 237 CO 0.20 -1.02 1.03 -0.46 0.00 0.00 0.00 175.10 174.86 1i01 n ASN 238 N 2.61 0.38 -1.59 3.32 2.04 -1.26 -1.56 115.26 119.19 1i01 n ASN 238 Ca 0.18 -2.15 -0.17 0.00 -0.44 0.00 0.00 54.58 52.01 1i01 n ASN 238 Cb 0.38 -0.24 -0.04 0.00 -2.53 0.00 0.00 39.78 37.34 1i01 n ASN 238 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1i01 n GLY 239 N -0.13 0.73 1.78 4.83 0.00 -1.26 -2.32 105.19 108.82 1i01 n GLY 239 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1i01 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i01 n GLY 240 N -0.96 0.80 0.00 -0.02 0.00 -1.26 -2.22 105.19 101.53 1i01 n GLY 240 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1i01 n GLY 240 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19