#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i01 n ASN 2 N 0.00 2.36 -0.36 7.83 2.04 -1.07 -4.64 115.26 121.42 1i01 n ASN 2 Ca 0.00 -2.42 0.04 0.00 -0.44 0.00 0.00 54.58 51.75 1i01 n ASN 2 Cb 0.00 -0.20 0.07 0.00 -2.53 0.00 0.00 39.78 37.11 1i01 n ASN 2 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1i01 n PHE 3 N -0.69 0.16 -1.61 -2.53 3.01 -0.17 -4.90 117.46 110.73 1i01 n PHE 3 Ca 0.08 -0.27 -0.52 0.00 1.01 0.00 0.00 57.45 57.76 1i01 n PHE 3 Cb 0.44 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.84 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 0.28 1.27 -0.05 -1.08 4.71 -1.21 -1.10 120.64 123.46 1i01 n GLU 4 Ca 0.06 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.67 1i01 n GLU 4 Cb 0.28 -2.12 0.00 0.00 -1.01 0.00 0.00 31.44 28.59 1i01 n GLU 4 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1i01 n GLY 5 N 2.76 1.04 3.90 0.62 0.00 -1.26 -5.00 105.19 107.25 1i01 n GLY 5 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.63 3.51 -0.16 1.61 -0.14 -0.25 -5.01 119.74 118.66 1i01 s LYS 6 Ca 0.00 -0.21 -0.02 0.00 -1.36 0.00 0.00 55.97 54.38 1i01 s LYS 6 Cb 0.00 -3.07 -0.01 0.00 -1.68 0.00 0.00 37.83 33.06 1i01 s LYS 6 CO 0.00 0.65 -0.09 0.42 -0.76 0.00 0.00 175.35 175.57 1i01 s ILE 7 N -1.34 3.26 -0.08 2.17 1.01 -1.26 -1.39 121.20 123.57 1i01 s ILE 7 Ca 0.28 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1i01 s ILE 7 Cb -0.13 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 1i01 s ILE 7 CO 0.18 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.40 1i01 s ALA 8 N 0.69 2.29 -0.28 9.38 0.00 -0.17 -0.60 121.76 133.07 1i01 s ALA 8 Ca -0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 1i01 s ALA 8 Cb -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1i01 s ALA 8 CO 0.02 0.37 0.07 -1.17 0.00 0.00 0.00 175.76 175.05 1i01 s LEU 9 N -0.02 3.70 -0.27 0.00 2.96 0.75 -0.88 118.68 124.92 1i01 s LEU 9 Ca -0.07 -0.61 -0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1i01 s LEU 9 Cb -0.15 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.71 1i01 s LEU 9 CO 0.05 -0.15 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.18 1i01 s VAL 10 N 1.51 2.67 0.35 1.68 1.01 -0.10 -1.01 120.40 126.52 1i01 s VAL 10 Ca 0.03 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.48 1i01 s VAL 10 Cb -0.17 -2.47 -0.10 0.00 0.00 0.00 0.00 36.38 33.64 1i01 s VAL 10 CO 0.02 0.04 0.89 0.42 0.00 0.00 0.00 175.10 176.47 1i01 s THR 11 N 1.23 4.40 -1.08 3.92 -4.23 -0.80 -1.34 115.64 117.75 1i01 s THR 11 Ca -0.04 1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 61.93 1i01 s THR 11 Cb -0.18 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1i01 s THR 11 CO -0.04 -0.09 0.91 0.61 -0.54 0.00 0.00 174.62 175.47 1i01 n GLY 12 N -0.06 -0.28 1.16 3.99 0.00 -0.92 -3.67 105.19 105.40 1i01 n GLY 12 Ca 0.04 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.98 2.98 -0.05 4.61 0.00 -0.72 -4.12 120.51 119.23 1i01 n ALA 13 Ca -0.19 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.12 1i01 n ALA 13 Cb 0.62 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 2.56 0.24 -2.49 0.00 0.02 -1.89 -3.28 113.55 108.71 1i01 h SER 14 Ca 0.00 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1i01 h SER 14 Cb 1.09 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 1i01 h SER 14 CO 0.18 0.23 0.15 -2.11 -1.14 0.00 0.00 176.83 174.14 1i01 n ARG 15 N -4.91 0.74 0.00 3.45 1.85 -1.26 -4.76 116.66 111.76 1i01 n ARG 15 Ca -0.03 -1.59 0.00 0.00 -1.00 0.00 0.00 57.85 55.23 1i01 n ARG 15 Cb 0.06 1.90 0.00 0.00 -1.05 0.00 0.00 32.46 33.37 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 -0.37 3.38 0.14 2.89 0.00 -1.26 -2.80 105.19 107.16 1i01 n GLY 16 Ca -0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 0.95 -0.52 -0.61 2.04 -1.93 -1.92 117.51 115.52 1i01 h ILE 17 Ca 0.00 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1i01 h ILE 17 Cb 0.00 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1i01 h ILE 17 CO 0.00 0.05 0.21 1.23 0.00 0.00 0.00 178.15 179.64 1i01 h GLY 18 N 0.27 0.70 1.35 5.37 0.00 -1.67 -0.14 103.07 108.94 1i01 h GLY 18 Ca 0.13 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1i01 h GLY 18 CO -0.12 0.04 -0.38 -0.09 0.00 0.00 0.00 176.54 175.99 1i01 h ARG 19 N 0.40 0.72 -0.77 4.80 2.43 -1.46 -1.53 114.38 118.97 1i01 h ARG 19 Ca 0.24 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1i01 h ARG 19 Cb 0.24 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1i01 h ARG 19 CO -0.23 0.98 0.35 0.00 -1.51 0.00 0.00 179.97 179.56 1i01 h ALA 20 N 0.98 0.99 -0.20 2.80 0.00 -0.87 0.94 119.26 123.90 1i01 h ALA 20 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1i01 h ALA 20 Cb 0.92 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1i01 h ALA 20 CO 0.08 0.58 0.06 0.82 0.00 0.00 0.00 179.25 180.79 1i01 h ILE 21 N 1.09 1.19 -0.57 0.00 2.04 -0.87 -0.86 117.51 119.54 1i01 h ILE 21 Ca 0.26 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1i01 h ILE 21 Cb 0.15 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1i01 h ILE 21 CO -0.03 0.19 0.30 0.00 0.00 0.00 0.00 178.15 178.61 1i01 h ALA 22 N 0.88 0.73 -0.24 1.87 0.00 -0.94 -1.44 119.26 120.12 1i01 h ALA 22 Ca 0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1i01 h ALA 22 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1i01 h ALA 22 CO -0.00 0.26 -0.34 0.93 0.00 0.00 0.00 179.25 180.10 1i01 h GLU 23 N 0.76 0.52 -0.16 0.00 5.08 -0.75 -1.96 114.58 118.07 1i01 h GLU 23 Ca 0.20 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1i01 h GLU 23 Cb 0.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1i01 h GLU 23 CO -0.03 0.79 -0.13 1.15 -1.00 0.00 0.00 179.01 179.80 1i01 h THR 24 N 0.44 1.33 -0.65 1.13 2.02 -0.89 0.56 112.91 116.84 1i01 h THR 24 Ca 0.05 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 65.94 1i01 h THR 24 Cb 0.81 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1i01 h THR 24 CO 0.07 0.37 0.24 -0.07 0.37 0.00 0.00 175.52 176.49 1i01 h LEU 25 N 0.03 0.89 -0.41 2.58 3.38 -1.26 -2.17 115.31 118.34 1i01 h LEU 25 Ca 0.03 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1i01 h LEU 25 Cb 0.64 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1i01 h LEU 25 CO 0.03 0.81 -0.15 0.00 0.09 0.00 0.00 178.44 179.22 1i01 h ALA 26 N 1.32 0.57 0.00 1.53 0.00 -1.23 -1.31 119.26 120.14 1i01 h ALA 26 Ca 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1i01 h ALA 26 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1i01 h ALA 26 CO -0.02 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 1i01 h ALA 27 N 0.83 1.09 -0.61 0.00 0.00 -0.60 -2.05 119.26 117.91 1i01 h ALA 27 Ca 0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1i01 h ALA 27 Cb 0.69 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1i01 h ALA 27 CO 0.05 0.04 0.13 0.54 0.00 0.00 0.00 179.25 180.02 1i01 n ARG 28 N -3.25 4.00 -0.26 0.00 1.74 -0.84 -4.69 116.66 113.36 1i01 n ARG 28 Ca -0.01 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 1i01 n ARG 28 Cb 0.20 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 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 0.04 0.71 3.86 -0.13 0.00 -0.77 -1.00 105.19 107.90 1i01 n GLY 29 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.58 3.20 -0.16 4.61 0.00 -0.53 -3.35 121.76 122.95 1i01 s ALA 30 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 1i01 s ALA 30 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1i01 s ALA 30 CO 0.00 -0.18 0.44 0.21 0.00 0.00 0.00 175.76 176.24 1i01 s LYS 31 N -4.08 4.26 -0.08 0.00 2.47 -0.49 -4.35 119.74 117.46 1i01 s LYS 31 Ca 0.55 0.34 0.03 0.00 -1.56 0.00 0.00 55.97 55.32 1i01 s LYS 31 Cb -0.10 -3.48 -0.02 0.00 -1.46 0.00 0.00 37.83 32.77 1i01 s LYS 31 CO 0.34 0.06 -0.16 0.08 0.16 0.00 0.00 175.35 175.82 1i01 s VAL 32 N 0.98 2.81 -0.30 4.02 1.01 -0.14 -1.00 120.40 127.78 1i01 s VAL 32 Ca 0.23 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1i01 s VAL 32 Cb -0.15 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.18 1i01 s VAL 32 CO 0.09 0.56 -0.01 -0.63 0.00 0.00 0.00 175.10 175.10 1i01 s ILE 33 N -0.16 2.67 0.02 2.22 1.09 -0.06 -1.02 121.20 125.96 1i01 s ILE 33 Ca -0.01 -1.62 -0.02 0.00 -1.10 0.00 0.00 60.65 57.89 1i01 s ILE 33 Cb -0.14 -2.62 -0.04 0.00 -1.06 0.00 0.00 42.46 38.61 1i01 s ILE 33 CO 0.03 -0.18 0.19 -0.83 -0.10 0.00 0.00 174.94 174.06 1i01 s GLY 34 N 1.22 2.18 0.27 6.18 0.00 -0.70 -0.92 107.32 115.55 1i01 s GLY 34 Ca -0.04 -0.79 0.12 0.00 0.00 0.00 0.00 44.72 44.01 1i01 s GLY 34 CO -0.03 -0.71 -0.20 -0.51 0.00 0.00 0.00 173.10 171.65 1i01 s THR 35 N -1.39 2.43 0.18 0.90 -4.23 -0.45 -1.31 115.64 111.76 1i01 s THR 35 Ca 0.30 -2.38 -0.04 0.00 -1.18 0.00 0.00 61.69 58.39 1i01 s THR 35 Cb -0.13 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 1i01 s THR 35 CO 0.22 -0.40 0.18 0.00 -0.54 0.00 0.00 174.62 174.09 1i01 s ALA 36 N -2.50 0.64 -0.73 3.99 0.00 -0.98 -1.76 121.76 120.42 1i01 s ALA 36 Ca 0.29 -1.34 0.25 0.00 0.00 0.00 0.00 51.96 51.16 1i01 s ALA 36 Cb -0.05 1.06 0.58 0.00 0.00 0.00 0.00 23.12 24.72 1i01 s ALA 36 CO 0.14 -0.60 1.53 0.25 0.00 0.00 0.00 175.76 177.08 1i01 n THR 37 N -0.21 0.39 -4.46 0.00 -2.24 -1.26 -0.53 114.28 105.97 1i01 n THR 37 Ca -0.03 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.28 1i01 n THR 37 Cb 0.64 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 1i01 n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i01 s SER 38 N -4.16 3.10 0.19 3.42 1.04 -1.26 -4.69 113.70 111.34 1i01 s SER 38 Ca 0.09 -1.18 0.01 0.00 0.48 0.00 0.00 55.95 55.35 1i01 s SER 38 Cb 0.14 -0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.14 1i01 s SER 38 CO 0.66 -0.27 1.47 -0.08 0.98 0.00 0.00 173.24 176.00 1i01 h GLU 39 N 2.21 0.35 -0.25 4.02 4.57 -1.97 -2.22 114.58 121.28 1i01 h GLU 39 Ca -0.40 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.49 1i01 h GLU 39 Cb 1.24 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 1i01 h GLU 39 CO 0.68 0.90 0.11 -0.91 -1.18 0.00 0.00 179.01 178.61 1i01 h ASN 40 N 0.24 0.34 -0.52 1.04 -0.26 -1.99 -1.03 115.58 113.40 1i01 h ASN 40 Ca -0.02 -0.14 0.04 0.00 -0.56 0.00 0.00 56.30 55.62 1i01 h ASN 40 Cb 1.24 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 38.38 1i01 h ASN 40 CO 0.11 0.38 0.28 1.23 -1.06 0.00 0.00 177.43 178.38 1i01 h GLY 41 N 0.27 0.74 0.71 2.83 0.00 -1.95 -0.52 103.07 105.15 1i01 h GLY 41 Ca 0.09 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.28 1i01 h GLY 41 CO -0.01 0.14 0.43 0.00 0.00 0.00 0.00 176.54 177.10 1i01 h ALA 42 N 1.27 1.00 -0.11 3.60 0.00 -1.06 -0.81 119.26 123.15 1i01 h ALA 42 Ca 0.23 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1i01 h ALA 42 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1i01 h ALA 42 CO -0.14 0.14 -0.31 0.37 0.00 0.00 0.00 179.25 179.31 1i01 h GLN 43 N 0.80 0.20 -0.55 0.00 5.75 -0.32 -0.78 115.11 120.21 1i01 h GLN 43 Ca 0.33 -0.08 -0.10 0.00 -0.15 0.00 0.00 58.65 58.65 1i01 h GLN 43 Cb 0.17 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1i01 h GLN 43 CO -0.17 0.50 -0.05 0.00 -2.65 0.00 0.00 178.83 176.46 1i01 h ALA 44 N 1.50 0.86 -0.45 3.38 0.00 -0.08 -0.54 119.26 123.93 1i01 h ALA 44 Ca 0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1i01 h ALA 44 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1i01 h ALA 44 CO 0.05 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.77 1i01 h ILE 45 N 0.90 1.26 -0.30 0.00 2.04 -0.64 -2.50 117.51 118.28 1i01 h ILE 45 Ca 0.15 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 1i01 h ILE 45 Cb 0.59 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1i01 h ILE 45 CO 0.04 0.37 0.06 0.28 0.00 0.00 0.00 178.15 178.89 1i01 h SER 46 N 0.65 0.39 -0.36 1.72 0.02 -0.87 -1.10 113.55 114.01 1i01 h SER 46 Ca 0.13 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1i01 h SER 46 Cb 0.51 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1i01 h SER 46 CO 0.02 0.42 -0.19 0.44 -1.14 0.00 0.00 176.83 176.38 1i01 h ASP 47 N 0.43 0.85 1.24 3.07 3.32 -0.68 -1.98 116.42 122.65 1i01 h ASP 47 Ca 0.10 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1i01 h ASP 47 Cb 0.19 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1i01 h ASP 47 CO -0.00 1.02 -0.77 0.10 -1.72 0.00 0.00 179.24 177.87 1i01 h TYR 48 N 0.74 0.00 0.00 4.55 -0.00 -1.14 -3.32 116.97 117.81 1i01 h TYR 48 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.69 1i01 h TYR 48 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.42 1i01 h TYR 48 CO 0.04 0.08 -0.77 -0.07 -0.00 0.00 0.00 178.16 177.44 1i01 h LEU 49 N 0.00 0.00 0.00 0.10 3.38 -1.17 -3.48 115.31 114.13 1i01 h LEU 49 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1i01 h LEU 49 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1i01 h LEU 49 CO 0.01 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1i01 n GLY 50 N 1.29 3.57 0.01 0.83 0.00 -0.75 -1.20 105.19 108.94 1i01 n GLY 50 Ca -0.00 -0.01 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 11.43 2.53 1.12 4.61 0.00 -1.26 -3.50 120.51 135.45 1i01 n ALA 51 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1i01 n ALA 51 Cb 0.00 -1.48 0.36 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.23 2.02 0.00 0.00 3.02 -0.34 -5.02 115.26 113.71 1i01 n ASN 52 Ca 0.15 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 1i01 n ASN 52 Cb 0.23 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.22 -0.64 3.49 7.41 0.00 -1.23 -0.97 105.19 114.47 1i01 n GLY 53 Ca 0.17 -0.56 -0.13 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 -0.66 1.04 -0.09 1.61 2.20 -0.19 -4.65 119.74 119.00 1i01 s LYS 54 Ca 0.00 -0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.47 1i01 s LYS 54 Cb 0.00 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1i01 s LYS 54 CO 0.00 -0.40 -0.02 0.20 -0.36 0.00 0.00 175.35 174.77 1i01 s GLY 55 N -2.00 1.79 0.05 5.54 0.00 -1.25 -1.72 107.32 109.73 1i01 s GLY 55 Ca -0.02 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1i01 s GLY 55 CO -0.03 -0.54 -0.11 1.08 0.00 0.00 0.00 173.10 173.49 1i01 s LEU 56 N -0.73 2.24 0.10 0.66 1.43 -0.43 -4.67 118.68 117.28 1i01 s LEU 56 Ca 0.11 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1i01 s LEU 56 Cb -0.11 -0.38 -0.06 0.00 0.03 0.00 0.00 46.19 45.67 1i01 s LEU 56 CO 0.02 -0.10 0.92 -0.32 0.23 0.00 0.00 176.35 177.09 1i01 s MET 57 N -1.52 4.66 -0.12 1.70 -2.45 -1.26 -2.33 119.30 117.97 1i01 s MET 57 Ca -0.04 1.37 -0.08 0.00 -1.25 0.00 0.00 55.69 55.68 1i01 s MET 57 Cb -0.09 -3.37 0.04 0.00 1.25 0.00 0.00 34.83 32.66 1i01 s MET 57 CO 0.01 0.23 0.30 -1.17 1.05 0.00 0.00 175.02 175.45 1i01 s LEU 58 N -0.03 0.46 -0.40 4.11 2.96 0.31 -4.87 118.68 121.22 1i01 s LEU 58 Ca 0.45 0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 54.93 1i01 s LEU 58 Cb -0.23 0.98 0.09 0.00 0.50 0.00 0.00 46.19 47.53 1i01 s LEU 58 CO 0.28 -0.15 0.22 0.21 -1.32 0.00 0.00 176.35 175.59 1i01 s ASN 59 N 0.89 5.44 0.62 3.68 3.84 -1.26 -4.18 114.94 123.97 1i01 s ASN 59 Ca -0.06 -1.65 0.31 0.00 0.21 0.00 0.00 52.86 51.67 1i01 s ASN 59 Cb -0.07 -1.91 1.66 0.00 -0.55 0.00 0.00 41.25 40.38 1i01 s ASN 59 CO -0.06 -0.52 1.93 -0.37 -2.79 0.00 0.00 177.10 175.29 1i01 h VAL 60 N 6.21 0.00 0.03 -5.21 -1.51 -1.97 -2.52 116.25 111.28 1i01 h VAL 60 Ca -0.20 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.23 1i01 h VAL 60 Cb 1.07 0.68 0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1i01 h VAL 60 CO 0.72 0.00 -0.19 0.74 -1.23 0.00 0.00 177.57 177.61 1i01 h THR 61 N 0.00 1.73 -2.61 7.19 2.02 -1.93 -3.43 112.91 115.89 1i01 h THR 61 Ca 0.00 -2.39 -0.58 0.00 0.77 0.00 0.00 66.41 64.21 1i01 h THR 61 Cb 0.51 3.35 -0.02 0.00 -1.74 0.00 0.00 68.15 70.24 1i01 h THR 61 CO 0.00 0.63 1.28 -0.62 0.37 0.00 0.00 175.52 177.18 1i01 s ASP 62 N -6.40 5.93 0.63 4.18 3.68 -0.95 -4.88 116.67 118.86 1i01 s ASP 62 Ca -0.18 1.45 0.37 0.00 2.13 0.00 0.00 52.55 56.32 1i01 s ASP 62 Cb -0.02 -2.53 2.08 0.00 -1.45 0.00 0.00 42.92 41.00 1i01 s ASP 62 CO 0.72 -1.65 2.28 -0.65 0.13 0.00 0.00 175.17 176.00 1i01 h PRO 63 N 12.73 0.00 -0.03 4.34 0.11 -1.87 -1.69 132.00 145.59 1i01 h PRO 63 Ca -0.35 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.53 1i01 h PRO 63 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1i01 h PRO 63 CO 1.02 0.00 -0.92 0.00 -0.21 0.00 0.00 178.00 177.89 1i01 h ALA 64 N 1.94 0.33 -0.46 -0.75 0.00 -1.93 -2.97 119.26 115.42 1i01 h ALA 64 Ca 0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 1i01 h ALA 64 Cb 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1i01 h ALA 64 CO -0.00 0.76 -0.21 1.03 0.00 0.00 0.00 179.25 180.83 1i01 h SER 65 N 0.32 0.94 0.26 0.00 0.87 -1.61 -2.12 113.55 112.22 1i01 h SER 65 Ca -0.08 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1i01 h SER 65 Cb 1.55 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1i01 h SER 65 CO 0.17 1.11 -0.13 0.40 -0.53 0.00 0.00 176.83 177.85 1i01 h ILE 66 N 0.80 0.74 -0.90 2.23 2.04 -1.51 -0.20 117.51 120.72 1i01 h ILE 66 Ca 0.11 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1i01 h ILE 66 Cb 0.76 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1i01 h ILE 66 CO 0.06 0.00 0.59 -0.08 0.00 0.00 0.00 178.15 178.72 1i01 h GLU 67 N -0.36 1.02 -0.12 2.37 4.81 -1.50 -0.81 114.58 120.00 1i01 h GLU 67 Ca -0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1i01 h GLU 67 Cb 0.27 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1i01 h GLU 67 CO 0.06 0.68 0.01 1.03 -0.73 0.00 0.00 179.01 180.06 1i01 h SER 68 N 1.05 0.19 -0.36 1.04 0.87 -1.03 -2.00 113.55 113.33 1i01 h SER 68 Ca 0.38 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1i01 h SER 68 Cb 0.14 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1i01 h SER 68 CO -0.13 0.42 0.12 0.58 -0.53 0.00 0.00 176.83 177.29 1i01 h VAL 69 N -0.04 1.20 -0.12 2.23 2.07 -0.69 -1.93 116.25 118.98 1i01 h VAL 69 Ca 0.04 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1i01 h VAL 69 Cb 0.31 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1i01 h VAL 69 CO 0.00 0.23 -0.02 -0.07 0.02 0.00 0.00 177.57 177.73 1i01 h LEU 70 N 0.43 0.15 -0.25 2.57 3.38 -1.15 -1.15 115.31 119.29 1i01 h LEU 70 Ca 0.12 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1i01 h LEU 70 Cb 0.23 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1i01 h LEU 70 CO -0.01 0.21 -0.31 -0.08 0.09 0.00 0.00 178.44 178.34 1i01 h GLU 71 N 0.16 0.64 -0.70 1.13 4.57 -1.00 -1.53 114.58 117.86 1i01 h GLU 71 Ca 0.04 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 57.84 1i01 h GLU 71 Cb 0.16 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1i01 h GLU 71 CO 0.01 0.97 0.37 0.87 -1.18 0.00 0.00 179.01 180.05 1i01 h LYS 72 N 0.36 0.98 -0.57 1.92 1.57 -0.70 -1.05 116.57 119.07 1i01 h LYS 72 Ca 0.03 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1i01 h LYS 72 Cb 0.89 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1i01 h LYS 72 CO 0.07 0.75 0.17 0.82 -0.57 0.00 0.00 179.45 180.69 1i01 h ILE 73 N 0.96 1.24 -0.65 1.86 2.04 -1.17 -1.85 117.51 119.94 1i01 h ILE 73 Ca 0.24 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 1i01 h ILE 73 Cb 0.07 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1i01 h ILE 73 CO -0.04 0.31 0.19 0.03 0.00 0.00 0.00 178.15 178.64 1i01 h ARG 74 N 0.80 1.01 0.00 2.37 3.08 -1.01 0.45 114.38 121.08 1i01 h ARG 74 Ca 0.18 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1i01 h ARG 74 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1i01 h ARG 74 CO -0.00 0.87 -0.42 0.00 -1.07 0.00 0.00 179.97 179.35 1i01 h ALA 75 N 1.23 1.20 0.00 0.04 0.00 -0.89 -3.20 119.26 117.65 1i01 h ALA 75 Ca 0.21 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.45 1i01 h ALA 75 Cb 0.30 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1i01 h ALA 75 CO -0.01 0.53 -2.10 -1.91 0.00 0.00 0.00 179.25 175.76 1i01 n GLU 76 N -3.88 1.09 0.00 0.00 2.13 -0.72 -4.89 120.64 114.36 1i01 n GLU 76 Ca -0.01 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1i01 n GLU 76 Cb 0.47 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.78 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 -2.77 0.00 0.00 4.31 3.01 0.14 -5.09 117.46 117.06 1i01 n PHE 77 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.17 1i01 n PHE 77 Cb 0.96 0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 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 3.00 0.78 3.82 1.37 0.00 -0.30 -4.98 105.19 108.87 1i01 n GLY 78 Ca 0.00 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.92 4.26 -0.05 1.61 0.41 -1.26 -3.15 118.70 118.60 1i01 s GLU 79 Ca 0.00 0.96 -0.30 0.00 -0.41 0.00 0.00 54.97 55.22 1i01 s GLU 79 Cb 0.00 -2.66 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 1i01 s GLU 79 CO 0.00 0.25 1.13 0.08 -0.49 0.00 0.00 175.26 176.24 1i01 s VAL 80 N -1.74 4.42 -0.14 2.63 1.01 -1.26 -4.54 120.40 120.78 1i01 s VAL 80 Ca 0.50 1.73 0.18 0.00 0.00 0.00 0.00 61.98 64.39 1i01 s VAL 80 Cb -0.14 -4.11 -0.26 0.00 0.00 0.00 0.00 36.38 31.87 1i01 s VAL 80 CO 0.20 0.02 0.19 0.47 0.00 0.00 0.00 175.10 175.97 1i01 n ASP 81 N 4.93 0.35 -3.86 3.32 8.00 0.23 -4.63 116.55 124.90 1i01 n ASP 81 Ca 0.10 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.36 1i01 n ASP 81 Cb 0.47 1.27 -0.17 0.00 -0.02 0.00 0.00 41.12 42.67 1i01 n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i01 s ILE 82 N -2.76 0.70 -0.18 0.53 1.01 -0.68 -1.87 121.20 117.96 1i01 s ILE 82 Ca -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1i01 s ILE 82 Cb 0.08 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1i01 s ILE 82 CO 0.80 0.30 -0.13 -0.22 0.00 0.00 0.00 174.94 175.69 1i01 s LEU 83 N 1.61 2.53 -0.23 2.97 2.96 0.12 -0.18 118.68 128.46 1i01 s LEU 83 Ca 0.01 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1i01 s LEU 83 Cb -0.13 -1.60 0.05 0.00 0.50 0.00 0.00 46.19 45.01 1i01 s LEU 83 CO -0.05 0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.19 1i01 s VAL 84 N 1.10 2.16 -0.31 1.68 1.01 -0.18 -0.44 120.40 125.42 1i01 s VAL 84 Ca 0.00 -1.38 -0.18 0.00 0.00 0.00 0.00 61.98 60.42 1i01 s VAL 84 Cb -0.14 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1i01 s VAL 84 CO -0.04 0.17 0.53 0.20 0.00 0.00 0.00 175.10 175.96 1i01 s ASN 85 N 1.17 6.38 -0.28 3.32 0.01 0.23 -1.91 114.94 123.88 1i01 s ASN 85 Ca -0.04 0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.37 1i01 s ASN 85 Cb -0.18 -2.28 0.05 0.00 0.41 0.00 0.00 41.25 39.26 1i01 s ASN 85 CO -0.08 -0.41 -0.06 0.21 -1.51 0.00 0.00 177.10 175.25 1i01 s ASN 86 N 1.67 4.61 0.00 -1.22 3.04 -1.24 -0.34 114.94 121.46 1i01 s ASN 86 Ca 0.21 -1.32 0.00 0.00 0.04 0.00 0.00 52.86 51.79 1i01 s ASN 86 Cb -0.15 -1.62 0.00 0.00 -1.54 0.00 0.00 41.25 37.94 1i01 s ASN 86 CO 0.12 -0.21 0.00 0.00 -3.04 0.00 0.00 177.10 173.96 1i01 n ALA 87 N 4.52 0.00 0.00 1.71 0.00 -1.26 -4.42 120.51 121.06 1i01 n ALA 87 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1i01 n ALA 87 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1i01 n ALA 87 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1i01 n ASN 93 N 0.00 0.00 -4.62 0.00 5.15 -1.26 -5.02 115.26 109.52 1i01 n ASN 93 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 1i01 n ASN 93 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1i01 n ASN 93 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1i01 s LEU 94 N 0.00 4.08 0.00 1.20 2.96 -1.26 -4.92 118.68 120.74 1i01 s LEU 94 Ca 0.00 0.69 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 1i01 s LEU 94 Cb 0.00 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.59 1i01 s LEU 94 CO 0.00 -0.62 0.38 -0.11 -1.32 0.00 0.00 176.35 174.68 1i01 n LEU 95 N 6.23 0.00 -1.32 -0.68 7.94 -1.26 0.18 117.00 128.09 1i01 n LEU 95 Ca 0.04 0.07 -0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1i01 n LEU 95 Cb 0.48 -0.07 0.11 0.00 0.53 0.00 0.00 43.42 44.47 1i01 n LEU 95 CO 0.51 -0.07 0.21 0.23 -1.11 0.00 0.00 177.39 177.15 1i01 n MET 96 N -0.88 1.51 0.00 1.96 2.81 -1.26 -4.65 117.12 116.60 1i01 n MET 96 Ca 0.00 -3.11 0.00 0.00 -1.81 0.00 0.00 57.70 52.78 1i01 n MET 96 Cb 0.16 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 -0.55 0.02 -2.44 0.03 0.63 0.13 -5.11 116.66 109.37 1i01 n ARG 97 Ca 0.18 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.74 1i01 n ARG 97 Cb 0.88 -0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.75 1i01 n ARG 97 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1i01 s MET 98 N 0.00 4.06 0.64 -0.14 0.23 -0.76 -4.93 119.30 118.41 1i01 s MET 98 Ca 0.00 1.63 -0.10 0.00 -1.03 0.00 0.00 55.69 56.19 1i01 s MET 98 Cb 0.00 -2.55 -0.00 0.00 -1.53 0.00 0.00 34.83 30.75 1i01 s MET 98 CO 0.00 -0.26 1.01 0.15 -2.03 0.00 0.00 175.02 173.90 1i01 s LYS 99 N -2.49 3.12 0.54 3.16 3.01 -1.26 -4.92 119.74 120.90 1i01 s LYS 99 Ca 0.59 0.42 0.22 0.00 -1.01 0.00 0.00 55.97 56.18 1i01 s LYS 99 Cb -0.25 -2.12 1.41 0.00 -1.01 0.00 0.00 37.83 35.86 1i01 s LYS 99 CO 0.31 -0.78 2.11 -0.44 0.51 0.00 0.00 175.35 177.06 1i01 h ASP 100 N -0.40 0.00 -0.17 2.83 3.32 -1.99 -1.68 116.42 118.32 1i01 h ASP 100 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1i01 h ASP 100 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1i01 h ASP 100 CO 0.63 0.00 0.04 -0.08 -1.72 0.00 0.00 179.24 178.10 1i01 h GLU 101 N 0.00 0.28 -0.48 3.56 4.81 -1.99 0.62 114.58 121.39 1i01 h GLU 101 Ca 0.08 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1i01 h GLU 101 Cb 0.36 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1i01 h GLU 101 CO -0.00 0.43 0.20 0.93 -0.73 0.00 0.00 179.01 179.84 1i01 h GLU 102 N 0.09 0.68 0.16 1.92 5.08 -1.70 0.14 114.58 120.95 1i01 h GLU 102 Ca 0.05 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1i01 h GLU 102 Cb 0.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1i01 h GLU 102 CO 0.00 0.56 -0.08 2.35 -1.00 0.00 0.00 179.01 180.84 1i01 h TRP 103 N 0.68 -0.20 -0.79 4.33 2.91 -1.16 -2.54 115.95 119.18 1i01 h TRP 103 Ca 0.17 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.15 1i01 h TRP 103 Cb 0.13 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 1i01 h TRP 103 CO 0.01 0.18 0.36 -0.91 -1.03 0.00 0.00 178.44 177.05 1i01 h ASN 104 N -0.63 1.05 -0.74 2.65 2.35 -0.65 -1.60 115.58 118.01 1i01 h ASN 104 Ca -0.02 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1i01 h ASN 104 Cb 0.47 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1i01 h ASN 104 CO 0.04 0.91 0.47 0.44 -1.65 0.00 0.00 177.43 177.64 1i01 h ASP 105 N 1.13 0.80 -0.24 5.81 5.19 -0.76 0.21 116.42 128.56 1i01 h ASP 105 Ca 0.27 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.49 1i01 h ASP 105 Cb 0.15 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 1i01 h ASP 105 CO -0.03 0.56 -0.51 0.40 -3.12 0.00 0.00 179.24 176.54 1i01 h ILE 106 N 0.94 1.28 0.01 0.35 2.04 -1.22 -0.89 117.51 120.03 1i01 h ILE 106 Ca 0.28 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 1i01 h ILE 106 Cb -0.04 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1i01 h ILE 106 CO -0.09 0.55 -0.01 0.40 0.00 0.00 0.00 178.15 179.01 1i01 h ILE 107 N 0.64 1.22 0.41 -0.67 1.08 -0.96 -1.59 117.51 117.64 1i01 h ILE 107 Ca 0.02 -0.70 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1i01 h ILE 107 Cb 1.10 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 36.52 1i01 h ILE 107 CO 0.11 0.18 -0.45 -0.08 -0.69 0.00 0.00 178.15 177.23 1i01 h GLU 108 N -0.32 -0.85 -0.30 2.37 4.57 -0.58 -0.29 114.58 119.19 1i01 h GLU 108 Ca -0.00 0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1i01 h GLU 108 Cb 0.31 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1i01 h GLU 108 CO 0.00 -0.56 0.07 1.15 -1.18 0.00 0.00 179.01 178.48 1i01 h THR 109 N -0.88 1.22 0.00 0.32 2.02 -1.22 -1.81 112.91 112.55 1i01 h THR 109 Ca -0.04 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1i01 h THR 109 Cb 0.79 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1i01 h THR 109 CO -0.09 0.24 -1.02 0.59 0.37 0.00 0.00 175.52 175.62 1i01 n ASN 110 N -4.66 0.65 0.02 4.18 5.03 -0.60 -4.36 115.26 115.53 1i01 n ASN 110 Ca -0.02 -0.41 -0.00 0.00 0.87 0.00 0.00 54.58 55.02 1i01 n ASN 110 Cb 0.19 0.86 -0.00 0.00 -1.02 0.00 0.00 39.78 39.82 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 -1.80 0.63 -0.06 3.41 7.94 -0.21 -4.70 117.00 122.21 1i01 n LEU 111 Ca 0.03 0.08 0.08 0.00 -1.11 0.00 0.00 56.01 55.08 1i01 n LEU 111 Cb 0.40 -0.20 0.45 0.00 0.53 0.00 0.00 43.42 44.60 1i01 n LEU 111 CO 0.41 -0.63 1.18 0.28 -1.11 0.00 0.00 177.39 177.52 1i01 h SER 112 N -0.02 0.46 -0.41 1.96 0.02 -1.25 -2.20 113.55 112.11 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 0.02 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1i01 h SER 112 CO 0.00 0.30 0.05 0.77 -1.14 0.00 0.00 176.83 176.82 1i01 h SER 113 N 0.53 0.74 -0.33 3.07 4.64 -1.53 -0.79 113.55 119.87 1i01 h SER 113 Ca 0.23 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1i01 h SER 113 Cb 0.25 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1i01 h SER 113 CO -0.06 0.77 -0.06 0.58 -0.87 0.00 0.00 176.83 177.19 1i01 h VAL 114 N 0.74 1.24 -0.39 0.95 2.07 -1.67 -0.60 116.25 118.59 1i01 h VAL 114 Ca 0.15 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1i01 h VAL 114 Cb 0.38 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1i01 h VAL 114 CO 0.01 0.36 0.06 0.15 0.02 0.00 0.00 177.57 178.17 1i01 h PHE 115 N 0.67 0.68 -0.46 1.57 3.57 -1.22 -1.00 116.94 120.74 1i01 h PHE 115 Ca 0.12 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1i01 h PHE 115 Cb 0.50 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1i01 h PHE 115 CO 0.02 0.68 -0.23 0.00 -2.23 0.00 0.00 178.31 176.56 1i01 h ARG 116 N 0.49 0.97 -0.24 1.11 3.08 -0.88 -2.04 114.38 116.88 1i01 h ARG 116 Ca 0.12 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.64 1i01 h ARG 116 Cb 0.37 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1i01 h ARG 116 CO 0.01 1.10 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.71 1i01 h LEU 117 N 0.82 0.61 -1.03 3.04 3.38 -1.08 -2.15 115.31 118.91 1i01 h LEU 117 Ca 0.10 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1i01 h LEU 117 Cb 0.81 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1i01 h LEU 117 CO 0.07 0.95 0.53 0.28 0.09 0.00 0.00 178.44 180.36 1i01 h SER 118 N 0.28 1.06 -0.67 -0.43 0.02 -1.19 -2.06 113.55 110.56 1i01 h SER 118 Ca 0.04 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1i01 h SER 118 Cb 0.78 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1i01 h SER 118 CO 0.06 0.82 0.17 0.50 -1.14 0.00 0.00 176.83 177.23 1i01 h LYS 119 N 1.22 1.06 0.00 3.45 3.64 -1.31 -2.02 116.57 122.61 1i01 h LYS 119 Ca 0.32 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1i01 h LYS 119 Cb -0.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1i01 h LYS 119 CO -0.06 0.95 -0.29 0.00 -2.27 0.00 0.00 179.45 177.78 1i01 h ALA 120 N 1.07 1.25 0.00 5.00 0.00 -0.71 -3.27 119.26 122.60 1i01 h ALA 120 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1i01 h ALA 120 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1i01 h ALA 120 CO 0.00 0.37 -0.92 1.33 0.00 0.00 0.00 179.25 180.02 1i01 n VAL 121 N -3.80 0.00 -0.29 0.00 0.24 -0.92 -4.62 118.33 108.93 1i01 n VAL 121 Ca -0.01 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.34 62.08 1i01 n VAL 121 Cb 0.38 0.87 0.07 0.00 -1.47 0.00 0.00 33.84 33.69 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 1.17 -0.38 7.34 2.07 -1.41 -2.97 114.93 120.75 1i01 h MET 122 Ca 0.00 -0.18 0.08 0.00 -2.07 0.00 0.00 59.70 57.53 1i01 h MET 122 Cb 0.45 -0.20 -0.08 0.00 -1.87 0.00 0.00 31.60 29.89 1i01 h MET 122 CO 0.00 0.91 -0.17 0.00 1.07 0.00 0.00 176.91 178.72 1i01 h ARG 123 N 1.15 -0.10 -0.49 1.72 3.08 -1.82 0.16 114.38 118.07 1i01 h ARG 123 Ca 0.27 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 1i01 h ARG 123 Cb 0.14 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1i01 h ARG 123 CO -0.03 -0.07 0.03 0.00 -1.07 0.00 0.00 179.97 178.83 1i01 h ALA 124 N 1.18 0.66 0.01 0.04 0.00 -1.87 -1.99 119.26 117.29 1i01 h ALA 124 Ca 0.19 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1i01 h ALA 124 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1i01 h ALA 124 CO -0.45 0.44 -0.05 0.52 0.00 0.00 0.00 179.25 179.71 1i01 h MET 125 N 0.71 -0.08 -0.11 0.00 2.86 -1.21 -0.69 114.93 116.40 1i01 h MET 125 Ca 0.14 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1i01 h MET 125 Cb 0.48 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1i01 h MET 125 CO 0.02 -0.06 -0.22 0.52 1.06 0.00 0.00 176.91 178.23 1i01 h MET 126 N -0.09 0.19 -0.18 1.72 2.07 -0.69 0.58 114.93 118.53 1i01 h MET 126 Ca 0.02 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.56 1i01 h MET 126 Cb 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.81 1i01 h MET 126 CO -0.04 0.41 0.01 -0.22 1.07 0.00 0.00 176.91 178.14 1i01 h LYS 127 N 0.18 0.32 -0.00 1.72 3.64 -1.08 -2.40 116.57 118.94 1i01 h LYS 127 Ca 0.03 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1i01 h LYS 127 Cb 0.50 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1i01 h LYS 127 CO 0.03 0.51 -0.02 1.63 -2.27 0.00 0.00 179.45 179.33 1i01 n LYS 128 N -4.73 0.58 -3.24 1.90 5.02 -0.29 -4.92 118.16 112.48 1i01 n LYS 128 Ca -0.05 -0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 55.97 1i01 n LYS 128 Cb 0.21 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.17 -4.54 -3.64 1.97 1.74 0.19 -4.97 116.66 106.25 1i01 n ARG 129 Ca 0.16 0.72 -0.11 0.00 -0.77 0.00 0.00 57.85 57.85 1i01 n ARG 129 Cb 0.22 -5.54 -0.07 0.00 -1.02 0.00 0.00 32.46 26.05 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 -3.10 -0.87 -0.20 -1.55 2.46 -0.74 -4.26 115.29 107.03 1i01 s HIS 130 Ca 0.38 1.94 -0.34 0.00 0.47 0.00 0.00 55.06 57.51 1i01 s HIS 130 Cb -0.18 0.41 0.15 0.00 -0.13 0.00 0.00 32.58 32.82 1i01 s HIS 130 CO 0.47 -0.43 1.21 0.20 -2.47 0.00 0.00 174.74 173.72 1i01 s GLY 131 N 0.92 -0.23 -0.03 1.59 0.00 -0.69 -4.57 107.32 104.32 1i01 s GLY 131 Ca -0.04 1.83 0.00 0.00 0.00 0.00 0.00 44.72 46.51 1i01 s GLY 131 CO -0.08 0.67 0.02 0.50 0.00 0.00 0.00 173.10 174.20 1i01 s ARG 132 N -2.08 0.12 -0.16 2.90 1.81 -0.78 -1.70 118.95 119.06 1i01 s ARG 132 Ca 0.08 0.14 -0.00 0.00 -1.72 0.00 0.00 55.73 54.23 1i01 s ARG 132 Cb -0.01 -0.38 0.04 0.00 -0.45 0.00 0.00 34.95 34.15 1i01 s ARG 132 CO -0.05 -0.16 -0.05 0.42 -0.68 0.00 0.00 175.30 174.78 1i01 s ILE 133 N 1.11 1.11 -0.10 1.52 1.01 -0.27 -0.70 121.20 124.87 1i01 s ILE 133 Ca -0.09 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 59.96 1i01 s ILE 133 Cb -0.13 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1i01 s ILE 133 CO -0.02 0.13 -0.18 -0.63 0.00 0.00 0.00 174.94 174.23 1i01 s ILE 134 N 1.63 1.68 -0.12 2.92 1.01 0.41 -0.98 121.20 127.75 1i01 s ILE 134 Ca 0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1i01 s ILE 134 Cb -0.15 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1i01 s ILE 134 CO -0.08 0.48 -0.10 -0.89 0.00 0.00 0.00 174.94 174.35 1i01 s THR 135 N 0.69 3.35 -0.24 2.92 2.01 -0.55 -0.60 115.64 123.23 1i01 s THR 135 Ca -0.12 -0.57 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 1i01 s THR 135 Cb -0.16 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1i01 s THR 135 CO 0.03 0.53 0.38 -0.63 -0.69 0.00 0.00 174.62 174.24 1i01 s ILE 136 N 0.09 5.19 0.92 1.82 1.09 0.54 -1.08 121.20 129.77 1i01 s ILE 136 Ca -0.04 0.62 -0.12 0.00 -1.10 0.00 0.00 60.65 60.01 1i01 s ILE 136 Cb -0.14 -3.71 0.14 0.00 -1.06 0.00 0.00 42.46 37.69 1i01 s ILE 136 CO 0.04 0.21 1.11 -0.83 -0.10 0.00 0.00 174.94 175.37 1i01 s GLY 137 N 1.32 1.58 0.50 6.18 0.00 0.30 -4.14 107.32 113.06 1i01 s GLY 137 Ca 0.17 -0.39 -0.23 0.00 0.00 0.00 0.00 44.72 44.27 1i01 s GLY 137 CO 0.09 0.16 1.30 -1.35 0.00 0.00 0.00 173.10 173.30 1i01 s SER 138 N -3.78 5.65 0.01 1.64 1.04 -1.26 -4.53 113.70 112.47 1i01 s SER 138 Ca 0.64 2.64 -0.25 0.00 0.48 0.00 0.00 55.95 59.46 1i01 s SER 138 Cb -0.16 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.28 1i01 s SER 138 CO 0.55 -1.30 0.75 -0.69 0.98 0.00 0.00 173.24 173.53 1i01 s VAL 139 N -1.36 4.83 -0.09 5.02 1.01 -1.26 -4.52 120.40 124.03 1i01 s VAL 139 Ca 0.67 1.59 -0.35 0.00 0.00 0.00 0.00 61.98 63.89 1i01 s VAL 139 Cb -0.37 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 31.78 1i01 s VAL 139 CO 0.45 0.33 1.80 0.52 0.00 0.00 0.00 175.10 178.19 1i01 n VAL 140 N 3.11 0.44 -0.03 2.92 0.31 -0.93 -4.86 118.33 119.29 1i01 n VAL 140 Ca -0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1i01 n VAL 140 Cb 0.51 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1i01 n VAL 140 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i01 n GLY 141 N 4.18 0.69 3.21 2.92 0.00 -1.26 -4.60 105.19 110.33 1i01 n GLY 141 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1i01 n GLY 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i01 s THR 142 N -0.70 0.00 -0.03 2.61 -4.23 -1.26 -5.06 115.64 106.98 1i01 s THR 142 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1i01 s THR 142 Cb 0.00 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.37 1i01 s THR 142 CO 0.00 0.00 1.38 0.23 -0.54 0.00 0.00 174.62 175.69 1i01 n MET 143 N -0.32 1.07 0.00 3.99 0.00 -1.26 -4.97 117.12 115.63 1i01 n MET 143 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.58 1i01 n MET 143 Cb 0.65 -1.06 0.00 0.00 0.00 0.00 0.00 33.22 32.82 1i01 n MET 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1i01 n ALA 152 N 0.75 0.00 0.04 3.04 0.00 -1.26 -5.09 120.51 117.99 1i01 n ALA 152 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1i01 n ALA 152 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 1i01 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i01 h ALA 153 N 0.00 0.14 -0.38 0.00 0.00 -2.01 -2.07 119.26 114.94 1i01 h ALA 153 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 1i01 h ALA 153 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1i01 h ALA 153 CO 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 179.25 179.87 1i01 h ALA 154 N 0.41 0.52 -0.29 0.00 0.00 -1.96 0.12 119.26 118.06 1i01 h ALA 154 Ca -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1i01 h ALA 154 Cb 1.68 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1i01 h ALA 154 CO 0.20 0.35 0.07 -0.22 0.00 0.00 0.00 179.25 179.66 1i01 h LYS 155 N 0.52 0.46 -0.25 0.00 3.64 -1.91 -0.53 116.57 118.49 1i01 h LYS 155 Ca 0.10 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1i01 h LYS 155 Cb 0.57 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1i01 h LYS 155 CO 0.03 0.54 -0.37 0.00 -2.27 0.00 0.00 179.45 177.39 1i01 h ALA 156 N 0.90 0.89 -0.12 5.00 0.00 -1.35 -2.52 119.26 122.06 1i01 h ALA 156 Ca 0.09 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1i01 h ALA 156 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i01 h ALA 156 CO 0.00 0.63 -0.38 0.78 0.00 0.00 0.00 179.25 180.29 1i01 h GLY 157 N 1.04 0.27 0.93 0.00 0.00 -0.58 -1.78 103.07 102.95 1i01 h GLY 157 Ca 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1i01 h GLY 157 CO 0.07 0.22 0.10 -2.00 0.00 0.00 0.00 176.54 174.94 1i01 h LEU 158 N 0.21 0.57 -0.56 3.11 5.85 -0.81 0.72 115.31 124.40 1i01 h LEU 158 Ca 0.02 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 1i01 h LEU 158 Cb 0.77 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1i01 h LEU 158 CO 0.06 0.64 -0.10 0.40 -0.34 0.00 0.00 178.44 179.10 1i01 h ILE 159 N 0.48 1.27 -0.65 4.05 2.04 -1.30 -1.12 117.51 122.27 1i01 h ILE 159 Ca 0.12 -1.26 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1i01 h ILE 159 Cb 0.29 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1i01 h ILE 159 CO -0.00 0.45 0.10 1.23 0.00 0.00 0.00 178.15 179.93 1i01 h GLY 160 N 0.94 1.15 0.94 5.37 0.00 -1.12 -1.68 103.07 108.67 1i01 h GLY 160 Ca 0.14 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1i01 h GLY 160 CO 0.05 0.70 0.06 -2.75 0.00 0.00 0.00 176.54 174.60 1i01 h PHE 161 N 1.00 0.71 -0.54 5.60 3.57 -0.63 -2.46 116.94 124.19 1i01 h PHE 161 Ca 0.20 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1i01 h PHE 161 Cb 0.43 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1i01 h PHE 161 CO 0.03 0.70 0.24 0.77 -2.23 0.00 0.00 178.31 177.82 1i01 h SER 162 N 0.51 0.73 -0.76 0.41 0.02 -1.00 0.10 113.55 113.56 1i01 h SER 162 Ca 0.12 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1i01 h SER 162 Cb 0.38 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1i01 h SER 162 CO 0.01 0.68 0.26 0.11 -1.14 0.00 0.00 176.83 176.75 1i01 h LYS 163 N 0.73 1.17 -0.21 3.45 1.57 -1.29 0.19 116.57 122.17 1i01 h LYS 163 Ca 0.18 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1i01 h LYS 163 Cb 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1i01 h LYS 163 CO -0.02 0.98 -0.12 1.03 -0.57 0.00 0.00 179.45 180.75 1i01 h SER 164 N 1.13 0.47 -0.55 0.86 0.87 -1.16 -2.64 113.55 112.53 1i01 h SER 164 Ca 0.25 -0.42 -0.09 0.00 -1.23 0.00 0.00 61.79 60.30 1i01 h SER 164 Cb 0.28 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1i01 h SER 164 CO -0.01 0.79 -0.00 0.25 -0.53 0.00 0.00 176.83 177.33 1i01 h LEU 165 N 0.16 0.98 -0.48 2.23 5.85 -0.65 -2.71 115.31 120.69 1i01 h LEU 165 Ca 0.05 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1i01 h LEU 165 Cb 0.62 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1i01 h LEU 165 CO 0.03 1.03 0.11 0.00 -0.34 0.00 0.00 178.44 179.28 1i01 h ALA 166 N 1.07 0.54 -0.56 1.25 0.00 -0.55 -1.12 119.26 119.89 1i01 h ALA 166 Ca 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1i01 h ALA 166 Cb 0.54 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1i01 h ALA 166 CO 0.03 -0.29 0.24 0.00 0.00 0.00 0.00 179.25 179.22 1i01 h ARG 167 N 0.25 0.80 -0.32 0.00 3.08 -1.28 -1.80 114.38 115.11 1i01 h ARG 167 Ca 0.24 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 60.00 1i01 h ARG 167 Cb 0.30 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1i01 h ARG 167 CO -0.29 0.64 -0.50 1.49 -1.07 0.00 0.00 179.97 180.24 1i01 h GLU 168 N 0.79 0.90 -0.29 0.04 4.81 -0.93 -3.34 114.58 116.56 1i01 h GLU 168 Ca 0.19 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1i01 h GLU 168 Cb 0.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1i01 h GLU 168 CO -0.02 1.18 0.00 1.33 -0.73 0.00 0.00 179.01 180.77 1i01 n VAL 169 N -4.02 0.54 -0.35 0.32 0.24 -0.58 -4.64 118.33 109.84 1i01 n VAL 169 Ca -0.04 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1i01 n VAL 169 Cb 0.60 0.89 0.16 0.00 -1.47 0.00 0.00 33.84 34.02 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 3.11 1.36 0.00 2.33 0.00 -1.45 -2.14 119.26 122.47 1i01 h ALA 170 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i01 h ALA 170 Cb 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i01 h ALA 170 CO 0.00 0.55 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 1i01 n SER 171 N -4.43 0.61 -0.94 0.00 3.41 -1.26 -2.25 113.62 108.75 1i01 n SER 171 Ca 0.13 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.52 1i01 n SER 171 Cb 0.08 -0.79 0.27 0.00 -0.26 0.00 0.00 64.21 63.51 1i01 n SER 171 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1i01 n ARG 172 N -2.20 2.23 -1.06 4.33 3.00 -0.81 -4.93 116.66 117.22 1i01 n ARG 172 Ca 0.01 -1.85 0.00 0.00 -0.00 0.00 0.00 57.85 56.01 1i01 n ARG 172 Cb 0.18 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1i01 n ARG 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1i01 n GLY 173 N 1.37 0.68 3.38 5.14 0.00 -0.96 -3.42 105.19 111.38 1i01 n GLY 173 Ca 0.18 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 2.90 -0.01 -0.61 1.01 -1.21 -1.71 121.20 119.58 1i01 s ILE 174 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1i01 s ILE 174 Cb 0.00 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1i01 s ILE 174 CO 0.00 0.55 -0.10 0.42 0.00 0.00 0.00 174.94 175.81 1i01 s THR 175 N 0.05 3.39 -0.18 2.92 -4.23 -0.69 -3.95 115.64 112.95 1i01 s THR 175 Ca -0.06 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1i01 s THR 175 Cb -0.15 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1i01 s THR 175 CO 0.05 0.45 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.79 1i01 s VAL 176 N -0.91 1.45 0.25 2.29 1.01 -1.26 -1.12 120.40 122.11 1i01 s VAL 176 Ca 0.15 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1i01 s VAL 176 Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1i01 s VAL 176 CO 0.05 0.21 0.05 0.20 0.00 0.00 0.00 175.10 175.61 1i01 s ASN 177 N 1.49 1.54 -0.03 3.32 0.01 -0.15 -0.05 114.94 121.07 1i01 s ASN 177 Ca 0.01 -1.30 0.04 0.00 -0.71 0.00 0.00 52.86 50.89 1i01 s ASN 177 Cb -0.15 0.08 -0.00 0.00 0.41 0.00 0.00 41.25 41.58 1i01 s ASN 177 CO -0.08 -0.63 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.05 1i01 s VAL 178 N -3.58 1.14 -0.19 1.60 1.01 -0.37 -1.48 120.40 118.53 1i01 s VAL 178 Ca 0.33 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1i01 s VAL 178 Cb 0.07 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 1i01 s VAL 178 CO 0.11 0.33 -0.09 -0.69 0.00 0.00 0.00 175.10 174.76 1i01 s VAL 179 N -0.06 3.05 -0.51 2.92 1.01 -0.24 0.00 120.40 126.57 1i01 s VAL 179 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1i01 s VAL 179 Cb -0.08 -2.35 0.13 0.00 0.00 0.00 0.00 36.38 34.08 1i01 s VAL 179 CO 0.01 0.47 0.36 0.00 0.00 0.00 0.00 175.10 175.93 1i01 s ALA 180 N 1.22 3.42 0.61 5.51 0.00 -0.17 -0.54 121.76 131.81 1i01 s ALA 180 Ca 0.02 -2.72 -0.14 0.00 0.00 0.00 0.00 51.96 49.12 1i01 s ALA 180 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1i01 s ALA 180 CO -0.04 -1.94 1.05 -1.25 0.00 0.00 0.00 175.76 173.58 1i01 s PRO 181 N 0.98 3.30 0.00 0.00 0.04 -1.26 -1.61 135.00 136.45 1i01 s PRO 181 Ca 0.09 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1i01 s PRO 181 Cb -0.23 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1i01 s PRO 181 CO -0.03 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.61 1i01 n GLY 182 N -1.35 0.80 3.54 0.56 0.00 -0.62 -4.23 105.19 103.88 1i01 n GLY 182 Ca 0.08 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1i01 n GLY 182 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i01 s PHE 183 N 4.12 2.54 -0.05 1.61 5.36 -1.26 -2.19 117.98 128.11 1i01 s PHE 183 Ca 0.00 -0.65 -0.04 0.00 -0.96 0.00 0.00 56.93 55.28 1i01 s PHE 183 Cb 0.00 -4.60 -0.04 0.00 -0.34 0.00 0.00 43.02 38.04 1i01 s PHE 183 CO 0.00 -1.90 0.14 0.42 -1.46 0.00 0.00 175.22 172.42 1i01 s ILE 184 N 4.86 5.27 -0.60 3.12 -1.09 -1.26 -1.66 121.20 129.84 1i01 s ILE 184 Ca 0.39 -0.09 -0.27 0.00 -2.23 0.00 0.00 60.65 58.46 1i01 s ILE 184 Cb -0.04 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1i01 s ILE 184 CO -0.01 0.44 1.80 -0.70 -1.23 0.00 0.00 174.94 175.25 1i01 s GLU 185 N -1.55 2.72 0.33 2.79 2.56 0.33 -4.72 118.70 121.16 1i01 s GLU 185 Ca 0.22 0.59 0.04 0.00 0.00 0.00 0.00 54.97 55.82 1i01 s GLU 185 Cb -0.12 -4.36 -0.02 0.00 2.00 0.00 0.00 34.13 31.64 1i01 s GLU 185 CO 0.12 -2.62 0.16 0.25 -0.56 0.00 0.00 175.26 172.61 1i01 n THR 186 N 7.16 0.00 -0.19 -1.70 -2.24 -1.26 -4.49 114.28 111.56 1i01 n THR 186 Ca 0.19 -2.05 -0.07 0.00 -2.27 0.00 0.00 64.05 59.86 1i01 n THR 186 Cb 0.51 0.82 0.03 0.00 -2.10 0.00 0.00 70.33 69.59 1i01 n THR 186 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1i01 h ASP 187 N 1.50 0.63 -0.55 3.42 3.32 -1.97 0.51 116.42 123.28 1i01 h ASP 187 Ca -0.25 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1i01 h ASP 187 Cb 1.04 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1i01 h ASP 187 CO 0.39 0.46 0.36 -0.03 -1.72 0.00 0.00 179.24 178.70 1i01 h MET 188 N 0.75 0.73 0.00 3.56 4.05 -1.96 0.97 114.93 123.02 1i01 h MET 188 Ca 0.20 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.50 1i01 h MET 188 Cb -0.09 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.54 1i01 h MET 188 CO -0.04 0.49 -0.64 1.79 0.23 0.00 0.00 176.91 178.73 1i01 h THR 189 N 0.75 0.47 0.00 -0.77 1.35 -1.72 -3.11 112.91 109.88 1i01 h THR 189 Ca 0.20 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1i01 h THR 189 Cb -0.08 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1i01 h THR 189 CO -0.04 0.27 0.00 0.03 -0.25 0.00 0.00 175.52 175.53 1i01 h ARG 190 N 0.00 0.00 -0.01 4.72 3.08 -0.14 -3.08 114.38 118.96 1i01 h ARG 190 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1i01 h ARG 190 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1i01 h ARG 190 CO 0.04 0.00 -0.23 0.00 -1.07 0.00 0.00 179.97 178.71 1i01 n ALA 191 N -2.00 3.00 -1.83 0.04 0.00 0.26 -4.89 120.51 115.09 1i01 n ALA 191 Ca 0.04 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 1i01 n ALA 191 Cb 0.49 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1i01 n ALA 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i01 s LEU 192 N -2.55 3.20 0.56 0.00 1.43 -1.16 -5.05 118.68 115.09 1i01 s LEU 192 Ca 0.24 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 1i01 s LEU 192 Cb 0.19 -4.44 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 1i01 s LEU 192 CO 0.52 -0.97 0.96 -0.94 0.23 0.00 0.00 176.35 176.15 1i01 s SER 193 N -4.14 6.36 0.30 2.29 1.04 -1.26 -4.86 113.70 113.43 1i01 s SER 193 Ca 0.56 1.36 0.01 0.00 0.48 0.00 0.00 55.95 58.36 1i01 s SER 193 Cb -0.11 -2.44 0.56 0.00 0.10 0.00 0.00 66.02 64.13 1i01 s SER 193 CO 0.54 -0.72 1.89 0.44 0.98 0.00 0.00 173.24 176.38 1i01 h ASP 194 N 0.20 0.89 -0.44 7.02 3.45 -1.97 -0.45 116.42 125.12 1i01 h ASP 194 Ca -0.45 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.00 1i01 h ASP 194 Cb 1.19 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 1i01 h ASP 194 CO 0.62 0.55 0.20 0.44 -1.57 0.00 0.00 179.24 179.47 1i01 h ASP 195 N 1.00 0.59 -0.16 6.45 3.32 -1.99 -0.99 116.42 124.63 1i01 h ASP 195 Ca 0.41 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 1i01 h ASP 195 Cb 0.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1i01 h ASP 195 CO -0.17 0.57 0.10 1.56 -1.72 0.00 0.00 179.24 179.57 1i01 h GLN 196 N 0.57 0.22 -0.50 3.56 4.20 -1.66 -1.32 115.11 120.18 1i01 h GLN 196 Ca 0.15 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1i01 h GLN 196 Cb 0.15 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1i01 h GLN 196 CO -0.02 0.20 0.28 0.00 -0.67 0.00 0.00 178.83 178.62 1i01 h ARG 197 N 0.19 0.54 -0.82 1.46 3.08 -0.98 -2.20 114.38 115.65 1i01 h ARG 197 Ca 0.06 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1i01 h ARG 197 Cb 0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1i01 h ARG 197 CO -0.01 0.36 0.50 0.00 -1.07 0.00 0.00 179.97 179.75 1i01 h ALA 198 N 1.24 1.04 -0.37 0.04 0.00 -0.99 0.24 119.26 120.46 1i01 h ALA 198 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1i01 h ALA 198 Cb 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1i01 h ALA 198 CO -0.12 0.49 0.22 0.78 0.00 0.00 0.00 179.25 180.63 1i01 h GLY 199 N 1.12 0.53 0.64 0.00 0.00 -0.73 -0.83 103.07 103.79 1i01 h GLY 199 Ca 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1i01 h GLY 199 CO -0.06 0.21 -0.13 -2.22 0.00 0.00 0.00 176.54 174.34 1i01 h ILE 200 N 0.48 0.75 -0.97 2.60 2.04 -1.05 -2.90 117.51 118.47 1i01 h ILE 200 Ca 0.13 -0.66 0.28 0.00 1.00 0.00 0.00 64.86 65.61 1i01 h ILE 200 Cb -0.01 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1i01 h ILE 200 CO -0.03 0.13 0.72 0.25 0.00 0.00 0.00 178.15 179.22 1i01 h LEU 201 N -0.73 0.00 -1.90 1.44 5.85 -0.44 1.29 115.31 120.82 1i01 h LEU 201 Ca -0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1i01 h LEU 201 Cb 0.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1i01 h LEU 201 CO 0.06 0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 178.07 1i01 h ALA 202 N 1.48 1.17 -0.09 1.25 0.00 -0.93 -0.35 119.26 121.79 1i01 h ALA 202 Ca 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1i01 h ALA 202 Cb 1.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1i01 h ALA 202 CO -0.00 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.40 1i01 n GLN 203 N -3.45 1.57 -3.82 0.00 6.02 0.44 -4.76 117.38 113.39 1i01 n GLN 203 Ca -0.01 -0.85 -0.36 0.00 -0.01 0.00 0.00 57.00 55.76 1i01 n GLN 203 Cb 0.25 -1.41 -0.13 0.00 1.02 0.00 0.00 30.24 29.97 1i01 n GLN 203 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1i01 s VAL 204 N -1.89 3.42 0.23 5.09 1.01 -0.14 -4.52 120.40 123.59 1i01 s VAL 204 Ca 0.34 -1.30 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1i01 s VAL 204 Cb 0.18 -2.97 0.19 0.00 0.00 0.00 0.00 36.38 33.78 1i01 s VAL 204 CO 0.28 -0.18 1.76 -0.65 0.00 0.00 0.00 175.10 176.31 1i01 h PRO 205 N 8.12 0.51 -0.30 2.72 0.11 -1.82 -0.68 132.00 140.65 1i01 h PRO 205 Ca -0.22 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.95 1i01 h PRO 205 Cb 1.07 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1i01 h PRO 205 CO 0.58 0.34 0.33 0.00 -0.21 0.00 0.00 178.00 179.03 1i01 h ALA 206 N 1.47 1.97 -0.04 -0.75 0.00 -1.66 -3.45 119.26 116.80 1i01 h ALA 206 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1i01 h ALA 206 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1i01 h ALA 206 CO -0.32 -0.48 -0.02 0.41 0.00 0.00 0.00 179.25 178.84 1i01 n GLY 207 N -1.45 0.47 3.44 0.00 0.00 -0.26 -5.00 105.19 102.39 1i01 n GLY 207 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 1.33 0.31 1.61 1.70 -1.26 -5.10 118.95 116.70 1i01 s ARG 208 Ca 0.00 -1.22 -0.06 0.00 -0.47 0.00 0.00 55.73 53.97 1i01 s ARG 208 Cb 0.00 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.74 1i01 s ARG 208 CO 0.00 -0.52 0.60 -0.51 -1.08 0.00 0.00 175.30 173.79 1i01 s LEU 209 N -3.00 4.02 0.47 -1.89 1.43 -1.26 -4.99 118.68 113.46 1i01 s LEU 209 Ca 0.21 0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 54.04 1i01 s LEU 209 Cb 0.02 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1i01 s LEU 209 CO 0.04 -0.23 0.81 -0.83 0.23 0.00 0.00 176.35 176.38 1i01 s GLY 210 N -3.11 1.69 0.24 -3.19 0.00 -0.66 -4.82 107.32 97.46 1i01 s GLY 210 Ca 0.46 -0.34 -0.03 0.00 0.00 0.00 0.00 44.72 44.81 1i01 s GLY 210 CO 0.30 -0.15 0.47 -0.32 0.00 0.00 0.00 173.10 173.39 1i01 s GLY 211 N -3.75 1.88 0.39 0.20 0.00 -1.26 -0.51 107.32 104.26 1i01 s GLY 211 Ca 0.50 -0.66 0.09 0.00 0.00 0.00 0.00 44.72 44.65 1i01 s GLY 211 CO 0.41 -0.58 1.96 0.00 0.00 0.00 0.00 173.10 174.88 1i01 h ALA 212 N 1.94 1.84 0.00 3.20 0.00 -1.93 -0.81 119.26 123.51 1i01 h ALA 212 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1i01 h ALA 212 Cb 1.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1i01 h ALA 212 CO 0.68 0.03 -0.15 0.37 0.00 0.00 0.00 179.25 180.18 1i01 h GLN 213 N 0.61 0.00 -0.16 0.00 5.75 -1.93 -2.25 115.11 117.12 1i01 h GLN 213 Ca 0.31 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.71 1i01 h GLN 213 Cb 0.40 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1i01 h GLN 213 CO -0.10 0.15 -0.34 0.93 -2.65 0.00 0.00 178.83 176.82 1i01 h GLU 214 N 0.00 0.33 -0.17 1.69 5.08 -1.53 0.27 114.58 120.25 1i01 h GLU 214 Ca -0.00 -0.14 -0.21 0.00 -1.00 0.00 0.00 59.36 58.01 1i01 h GLU 214 Cb 0.29 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1i01 h GLU 214 CO 0.02 0.64 -0.72 0.82 -1.00 0.00 0.00 179.01 178.77 1i01 h ILE 215 N 0.29 1.29 -0.45 3.13 5.03 -1.45 -3.04 117.51 122.32 1i01 h ILE 215 Ca 0.03 -1.94 -0.04 0.00 -0.12 0.00 0.00 64.86 62.79 1i01 h ILE 215 Cb 0.74 1.92 -0.02 0.00 -3.03 0.00 0.00 36.82 36.43 1i01 h ILE 215 CO 0.06 0.61 0.10 0.00 -0.68 0.00 0.00 178.15 178.24 1i01 h ALA 216 N 0.65 1.33 -0.65 1.87 0.00 -0.96 -1.22 119.26 120.29 1i01 h ALA 216 Ca -0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1i01 h ALA 216 Cb 1.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1i01 h ALA 216 CO 0.15 0.47 0.11 -0.91 0.00 0.00 0.00 179.25 179.07 1i01 h ASN 217 N 0.65 1.03 -0.48 0.00 2.35 -0.93 0.54 115.58 118.75 1i01 h ASN 217 Ca 0.15 -0.26 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 1i01 h ASN 217 Cb 0.26 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1i01 h ASN 217 CO -0.00 1.03 -0.09 0.00 -1.65 0.00 0.00 177.43 176.72 1i01 h ALA 218 N 1.04 0.66 -0.33 -0.83 0.00 -1.33 -1.53 119.26 116.94 1i01 h ALA 218 Ca 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1i01 h ALA 218 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i01 h ALA 218 CO 0.01 0.54 0.10 0.28 0.00 0.00 0.00 179.25 180.18 1i01 h VAL 219 N 0.76 1.21 -1.00 0.00 2.07 -1.02 -1.90 116.25 116.38 1i01 h VAL 219 Ca 0.13 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.99 1i01 h VAL 219 Cb 0.63 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 1i01 h VAL 219 CO 0.04 0.24 0.65 0.00 0.02 0.00 0.00 177.57 178.52 1i01 h ALA 220 N 0.93 1.36 0.06 1.67 0.00 -0.76 -0.58 119.26 121.95 1i01 h ALA 220 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i01 h ALA 220 Cb 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1i01 h ALA 220 CO -0.00 0.51 -0.03 0.35 0.00 0.00 0.00 179.25 180.08 1i01 h PHE 221 N 1.24 -0.07 0.00 0.00 3.57 -1.00 -2.55 116.94 118.13 1i01 h PHE 221 Ca 0.41 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 1i01 h PHE 221 Cb 0.07 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1i01 h PHE 221 CO -0.00 0.09 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.94 1i01 h LEU 222 N -0.22 0.00 -0.09 0.59 3.38 -0.89 -2.50 115.31 115.57 1i01 h LEU 222 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1i01 h LEU 222 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1i01 h LEU 222 CO 0.01 0.16 -0.15 0.00 0.09 0.00 0.00 178.44 178.56 1i01 h ALA 223 N 1.84 0.91 -2.10 1.53 0.00 -0.97 -3.44 119.26 117.03 1i01 h ALA 223 Ca -0.00 -0.13 -0.44 0.00 0.00 0.00 0.00 54.91 54.33 1i01 h ALA 223 Cb 0.36 -0.02 0.16 0.00 0.00 0.00 0.00 17.79 18.29 1i01 h ALA 223 CO 0.02 0.18 0.35 -1.54 0.00 0.00 0.00 179.25 178.26 1i01 s SER 224 N -6.26 2.73 0.32 0.00 1.04 -0.94 -4.94 113.70 105.65 1i01 s SER 224 Ca 0.06 0.44 0.26 0.00 0.48 0.00 0.00 55.95 57.19 1i01 s SER 224 Cb 0.06 -0.60 0.87 0.00 0.10 0.00 0.00 66.02 66.45 1i01 s SER 224 CO 0.68 -2.99 1.76 0.44 0.98 0.00 0.00 173.24 174.12 1i01 h ASP 225 N -1.81 0.00 -0.06 7.02 3.32 -1.90 -3.16 116.42 119.83 1i01 h ASP 225 Ca -0.45 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.62 1i01 h ASP 225 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1i01 h ASP 225 CO 0.41 0.00 0.04 -0.08 -1.72 0.00 0.00 179.24 177.89 1i01 h GLU 226 N 0.00 0.00 -0.29 3.56 4.57 -1.93 -2.85 114.58 117.65 1i01 h GLU 226 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1i01 h GLU 226 Cb 0.63 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.12 1i01 h GLU 226 CO 0.00 0.00 -0.24 0.00 -1.18 0.00 0.00 179.01 177.59 1i01 n ALA 227 N -2.51 4.24 0.28 2.92 0.00 -1.19 -4.75 120.51 119.50 1i01 n ALA 227 Ca -0.02 -3.26 0.18 0.00 0.00 0.00 0.00 53.44 50.35 1i01 n ALA 227 Cb 0.15 -0.62 0.97 0.00 0.00 0.00 0.00 19.45 19.95 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 1.10 1.45 -0.64 0.00 0.00 -1.66 -1.02 119.26 118.49 1i01 h ALA 228 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1i01 h ALA 228 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1i01 h ALA 228 CO 0.32 -0.12 0.00 0.98 0.00 0.00 0.00 179.25 180.43 1i01 n TYR 229 N -3.53 0.85 -3.73 0.00 9.36 -1.26 -4.85 117.16 114.00 1i01 n TYR 229 Ca -0.01 -0.44 -0.37 0.00 3.32 0.00 0.00 57.90 60.39 1i01 n TYR 229 Cb 0.18 -0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.77 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 -1.10 4.27 -0.11 2.97 1.01 -0.39 -5.07 121.20 122.78 1i01 s ILE 230 Ca 0.46 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 60.47 1i01 s ILE 230 Cb 0.24 -3.12 0.05 0.00 0.01 0.00 0.00 42.46 39.64 1i01 s ILE 230 CO 0.32 0.17 0.52 0.28 0.00 0.00 0.00 174.94 176.23 1i01 s THR 231 N 1.57 0.01 -0.36 2.92 -1.32 -1.26 -4.69 115.64 112.52 1i01 s THR 231 Ca 0.05 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1i01 s THR 231 Cb -0.16 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1i01 s THR 231 CO 0.04 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1i01 n GLY 232 N 1.84 0.64 3.87 6.08 0.00 0.93 -4.95 105.19 113.61 1i01 n GLY 232 Ca -0.17 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.89 3.30 -0.35 1.61 2.56 -1.26 -4.74 118.70 117.93 1i01 s GLU 233 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.97 54.49 1i01 s GLU 233 Cb 0.00 -2.98 0.06 0.00 2.00 0.00 0.00 34.13 33.21 1i01 s GLU 233 CO 0.00 0.63 0.10 0.99 -0.56 0.00 0.00 175.26 176.42 1i01 s THR 234 N -1.37 3.38 -0.42 -1.70 2.01 -1.26 -1.24 115.64 115.05 1i01 s THR 234 Ca 0.29 -1.48 -0.21 0.00 0.31 0.00 0.00 61.69 60.60 1i01 s THR 234 Cb -0.13 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1i01 s THR 234 CO 0.21 -0.31 0.64 -0.22 -0.69 0.00 0.00 174.62 174.26 1i01 s LEU 235 N 1.28 4.43 -0.03 4.42 2.96 0.10 -4.92 118.68 126.92 1i01 s LEU 235 Ca -0.00 -0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 53.48 1i01 s LEU 235 Cb -0.21 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 1i01 s LEU 235 CO -0.01 -0.73 0.69 -1.00 -1.32 0.00 0.00 176.35 173.98 1i01 s HIS 236 N 2.79 3.63 -0.57 5.38 3.76 -1.26 -1.00 115.29 128.02 1i01 s HIS 236 Ca 0.23 1.28 0.04 0.00 -0.15 0.00 0.00 55.06 56.46 1i01 s HIS 236 Cb -0.14 -2.76 0.16 0.00 1.11 0.00 0.00 32.58 30.95 1i01 s HIS 236 CO 0.18 0.19 0.39 0.08 -0.85 0.00 0.00 174.74 174.72 1i01 s VAL 237 N 0.40 2.04 -0.02 -0.90 1.01 -0.63 -4.90 120.40 117.40 1i01 s VAL 237 Ca 0.36 -3.52 0.02 0.00 0.00 0.00 0.00 61.98 58.85 1i01 s VAL 237 Cb -0.18 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1i01 s VAL 237 CO 0.19 -1.02 0.84 -0.46 0.00 0.00 0.00 175.10 174.65 1i01 n ASN 238 N 2.56 0.55 -0.73 3.32 2.04 -1.26 -1.58 115.26 120.16 1i01 n ASN 238 Ca 0.18 -1.78 -0.09 0.00 -0.44 0.00 0.00 54.58 52.45 1i01 n ASN 238 Cb 0.37 -0.13 -0.04 0.00 -2.53 0.00 0.00 39.78 37.45 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 -0.25 0.96 0.00 4.83 0.00 -1.26 -2.97 105.19 106.50 1i01 n GLY 239 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.20 0.99 0.00 -0.02 0.00 -1.26 -1.67 105.19 103.03 1i01 n GLY 240 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1i01 n GLY 240 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19