#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8l s ILE 2 N 0.00 2.05 -0.26 1.34 -1.09 -1.07 -5.06 121.20 117.11 1i8l s ILE 2 Ca 0.00 -1.41 0.02 0.00 -2.23 0.00 0.00 60.65 57.03 1i8l s ILE 2 Cb 0.00 -1.77 0.06 0.00 -1.58 0.00 0.00 42.46 39.17 1i8l s ILE 2 CO 0.00 0.28 -0.07 -1.00 -1.23 0.00 0.00 174.94 172.92 1i8l s HIS 3 N -0.85 2.87 -0.14 3.97 3.76 -1.26 -1.12 115.29 122.50 1i8l s HIS 3 Ca 0.11 -2.10 -0.08 0.00 -0.15 0.00 0.00 55.06 52.84 1i8l s HIS 3 Cb -0.10 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 1i8l s HIS 3 CO 0.03 -0.84 0.15 0.08 -0.85 0.00 0.00 174.74 173.31 1i8l s VAL 4 N 1.23 5.46 -0.09 -0.90 1.01 0.20 -4.98 120.40 122.34 1i8l s VAL 4 Ca -0.06 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1i8l s VAL 4 Cb -0.19 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1i8l s VAL 4 CO -0.06 0.55 -0.05 -0.89 0.00 0.00 0.00 175.10 174.65 1i8l s THR 5 N -0.53 0.75 0.02 3.92 2.01 -1.26 -1.58 115.64 118.97 1i8l s THR 5 Ca 0.13 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1i8l s THR 5 Cb -0.12 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 1i8l s THR 5 CO 0.02 0.31 0.05 -0.54 -0.69 0.00 0.00 174.62 173.77 1i8l s LYS 6 N 1.63 0.46 0.68 4.92 -0.14 -0.86 -5.01 119.74 121.43 1i8l s LYS 6 Ca 0.02 -0.66 -0.13 0.00 -1.36 0.00 0.00 55.97 53.83 1i8l s LYS 6 Cb -0.13 0.18 0.01 0.00 -1.68 0.00 0.00 37.83 36.21 1i8l s LYS 6 CO -0.05 -0.10 1.08 -1.21 -0.76 0.00 0.00 175.35 174.31 1i8l s GLU 7 N -2.03 2.81 0.99 1.68 0.41 -1.26 -1.00 118.70 120.31 1i8l s GLU 7 Ca -0.10 1.18 -0.12 0.00 -0.41 0.00 0.00 54.97 55.51 1i8l s GLU 7 Cb -0.05 -1.97 0.18 0.00 -1.78 0.00 0.00 34.13 30.51 1i8l s GLU 7 CO -0.02 -1.21 1.09 0.14 -0.49 0.00 0.00 175.26 174.77 1i8l s VAL 8 N -2.69 2.14 0.00 2.63 -7.23 0.31 -2.90 120.40 112.66 1i8l s VAL 8 Ca 0.62 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 1i8l s VAL 8 Cb -0.17 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1i8l s VAL 8 CO 0.48 -0.06 0.00 0.29 -0.31 0.00 0.00 175.10 175.50 1i8l n LYS 9 N -4.13 0.00 -1.54 4.82 4.01 -1.14 -4.90 118.16 115.27 1i8l n LYS 9 Ca 0.05 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.56 1i8l n LYS 9 Cb 0.57 -0.84 0.18 0.00 -0.51 0.00 0.00 35.03 34.43 1i8l n LYS 9 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1i8l s GLU 10 N 0.00 0.31 0.09 1.97 2.12 -1.14 -4.35 118.70 117.69 1i8l s GLU 10 Ca 0.00 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.29 1i8l s GLU 10 Cb 0.00 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.58 1i8l s GLU 10 CO 0.00 -2.69 0.22 0.08 -0.54 0.00 0.00 175.26 172.32 1i8l s VAL 11 N -3.41 5.29 -0.02 3.70 1.01 -1.26 -3.08 120.40 122.63 1i8l s VAL 11 Ca 0.69 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1i8l s VAL 11 Cb -0.10 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1i8l s VAL 11 CO 0.54 0.08 -0.08 0.00 0.00 0.00 0.00 175.10 175.64 1i8l s ALA 12 N -1.56 0.70 -0.11 5.51 0.00 -0.32 -4.93 121.76 121.06 1i8l s ALA 12 Ca 0.34 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1i8l s ALA 12 Cb -0.12 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1i8l s ALA 12 CO 0.28 0.13 -0.16 0.99 0.00 0.00 0.00 175.76 176.99 1i8l s THR 13 N 0.08 1.56 -0.33 0.00 2.01 -1.26 -0.00 115.64 117.69 1i8l s THR 13 Ca -0.01 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 1i8l s THR 13 Cb -0.06 -1.42 0.05 0.00 0.01 0.00 0.00 72.50 71.09 1i8l s THR 13 CO -0.00 0.45 0.08 -0.76 -0.69 0.00 0.00 174.62 173.70 1i8l s LEU 14 N 0.91 4.27 0.50 4.42 1.43 -0.02 -4.95 118.68 125.24 1i8l s LEU 14 Ca -0.08 -1.31 -0.20 0.00 -1.03 0.00 0.00 54.13 51.51 1i8l s LEU 14 Cb -0.15 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 1i8l s LEU 14 CO -0.01 -0.33 1.05 -0.55 0.23 0.00 0.00 176.35 176.74 1i8l s SER 15 N 1.41 6.24 0.00 2.29 0.15 -1.26 -1.87 113.70 120.66 1i8l s SER 15 Ca -0.02 1.96 0.24 0.00 0.70 0.00 0.00 55.95 58.83 1i8l s SER 15 Cb -0.20 -2.56 0.26 0.00 -1.71 0.00 0.00 66.02 61.81 1i8l s SER 15 CO 0.00 -0.85 1.26 0.00 1.20 0.00 0.00 173.24 174.85 1i8l n GLY 17 N 1.38 -0.49 3.65 0.00 0.00 -1.25 -4.67 105.19 103.80 1i8l n GLY 17 Ca 0.11 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 1i8l n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i8l s HIS 18 N -3.27 -0.04 0.18 1.61 5.65 -1.26 -5.09 115.29 113.07 1i8l s HIS 18 Ca 0.67 0.09 0.05 0.00 0.25 0.00 0.00 55.06 56.11 1i8l s HIS 18 Cb -0.34 0.49 -0.05 0.00 -1.18 0.00 0.00 32.58 31.50 1i8l s HIS 18 CO 0.82 -0.02 -0.07 0.54 -0.65 0.00 0.00 174.74 175.36 1i8l s ASN 19 N -0.05 1.92 -0.03 9.88 2.20 -1.26 -3.37 114.94 124.23 1i8l s ASN 19 Ca 0.08 -1.09 0.04 0.00 -0.94 0.00 0.00 52.86 50.95 1i8l s ASN 19 Cb -0.05 -0.02 -0.00 0.00 -2.00 0.00 0.00 41.25 39.18 1i8l s ASN 19 CO -0.16 -0.37 -0.14 -0.69 -2.94 0.00 0.00 177.10 172.80 1i8l s VAL 20 N -3.31 1.16 0.52 3.54 1.01 -1.26 -5.04 120.40 117.01 1i8l s VAL 20 Ca 0.21 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 1i8l s VAL 20 Cb 0.03 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 1i8l s VAL 20 CO 0.04 0.34 1.02 -0.94 0.00 0.00 0.00 175.10 175.56 1i8l s SER 21 N -0.06 6.31 0.39 3.32 1.04 -1.26 -4.86 113.70 118.57 1i8l s SER 21 Ca -0.00 1.79 0.10 0.00 0.48 0.00 0.00 55.95 58.32 1i8l s SER 21 Cb -0.09 -2.54 0.87 0.00 0.10 0.00 0.00 66.02 64.37 1i8l s SER 21 CO 0.01 -0.80 1.94 -0.37 0.98 0.00 0.00 173.24 174.99 1i8l h VAL 22 N 1.15 0.91 -1.02 5.02 -1.51 -2.00 0.85 116.25 119.66 1i8l h VAL 22 Ca -0.48 -0.21 0.25 0.00 -1.23 0.00 0.00 66.70 65.03 1i8l h VAL 22 Cb 1.21 0.25 -0.09 0.00 -2.13 0.00 0.00 31.29 30.53 1i8l h VAL 22 CO 0.59 0.11 0.65 -0.33 -1.23 0.00 0.00 177.57 177.36 1i8l h GLU 23 N 0.61 0.43 0.00 5.19 3.07 -2.06 -3.04 114.58 118.77 1i8l h GLU 23 Ca 0.35 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.14 1i8l h GLU 23 Cb 0.53 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1i8l h GLU 23 CO -0.12 0.28 -2.00 0.39 -1.40 0.00 0.00 179.01 176.16 1i8l n GLU 24 N -4.63 0.66 -0.23 2.33 1.02 0.25 -4.45 120.64 115.60 1i8l n GLU 24 Ca 0.24 -0.17 0.31 0.00 -0.02 0.00 0.00 57.16 57.53 1i8l n GLU 24 Cb 0.82 -1.53 0.68 0.00 -0.02 0.00 0.00 31.44 31.38 1i8l n GLU 24 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1i8l h LEU 25 N 0.00 0.00 -0.47 -4.62 3.38 -1.32 0.19 115.31 112.46 1i8l h LEU 25 Ca -0.06 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1i8l h LEU 25 Cb 1.13 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 1i8l h LEU 25 CO 0.00 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.60 1i8l h ALA 26 N 1.15 0.50 -1.15 1.53 0.00 -1.78 -2.37 119.26 117.14 1i8l h ALA 26 Ca 0.49 0.11 -0.62 0.00 0.00 0.00 0.00 54.91 54.89 1i8l h ALA 26 Cb 2.30 0.17 -0.38 0.00 0.00 0.00 0.00 17.79 19.87 1i8l h ALA 26 CO -0.01 -0.34 -0.25 1.04 0.00 0.00 0.00 179.25 179.70 1i8l n GLN 27 N -5.15 3.28 -4.19 0.00 3.00 0.64 -4.30 117.38 110.65 1i8l n GLN 27 Ca 0.05 -4.10 -0.15 0.00 -0.01 0.00 0.00 57.00 52.79 1i8l n GLN 27 Cb 0.24 -2.27 -0.11 0.00 0.00 0.00 0.00 30.24 28.10 1i8l n GLN 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1i8l s THR 28 N -5.12 1.01 -0.08 5.09 2.01 -0.92 -2.13 115.64 115.50 1i8l s THR 28 Ca 0.52 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.89 1i8l s THR 28 Cb 0.42 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1i8l s THR 28 CO -0.15 -0.52 -0.06 -0.60 -0.69 0.00 0.00 174.62 172.60 1i8l s ARG 29 N -2.70 1.25 -0.11 4.92 6.06 -0.65 -1.37 118.95 126.34 1i8l s ARG 29 Ca 0.05 -0.19 0.03 0.00 -2.50 0.00 0.00 55.73 53.13 1i8l s ARG 29 Cb -0.04 -1.28 0.00 0.00 0.06 0.00 0.00 34.95 33.70 1i8l s ARG 29 CO 0.01 -0.17 -0.22 0.42 -2.50 0.00 0.00 175.30 172.83 1i8l s ILE 30 N 1.38 1.94 -0.11 4.11 1.01 -1.01 0.87 121.20 129.39 1i8l s ILE 30 Ca -0.02 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1i8l s ILE 30 Cb -0.14 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1i8l s ILE 30 CO -0.03 0.53 -0.22 -0.31 0.00 0.00 0.00 174.94 174.91 1i8l s TYR 31 N 0.51 2.44 -0.21 3.97 2.02 0.48 -1.81 117.35 124.74 1i8l s TYR 31 Ca -0.15 -1.06 -0.02 0.00 -0.37 0.00 0.00 57.07 55.47 1i8l s TYR 31 Cb -0.17 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1i8l s TYR 31 CO 0.06 -0.45 -0.10 -1.58 -1.57 0.00 0.00 175.55 171.90 1i8l s TRP 32 N 0.53 2.92 -0.01 2.71 0.52 -0.36 -0.95 118.94 124.30 1i8l s TRP 32 Ca -0.15 -1.27 0.01 0.00 0.02 0.00 0.00 56.10 54.71 1i8l s TRP 32 Cb -0.17 -2.04 0.00 0.00 -1.15 0.00 0.00 33.47 30.11 1i8l s TRP 32 CO 0.05 -0.66 -0.03 1.14 0.02 0.00 0.00 176.95 177.47 1i8l s GLN 33 N 1.39 0.31 -0.23 4.98 -2.07 -0.66 -0.32 119.66 123.06 1i8l s GLN 33 Ca 0.05 -0.10 -0.06 0.00 -1.82 0.00 0.00 55.36 53.43 1i8l s GLN 33 Cb -0.14 -0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 31.43 1i8l s GLN 33 CO -0.07 0.04 0.03 0.21 -1.32 0.00 0.00 175.29 174.18 1i8l s LYS 34 N 0.11 3.60 7.97 9.60 2.20 -0.02 -0.12 119.74 143.09 1i8l s LYS 34 Ca -0.01 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1i8l s LYS 34 Cb -0.04 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1i8l s LYS 34 CO -0.00 -0.11 0.00 0.39 -0.36 0.00 0.00 175.35 175.27 1i8l n GLU 35 N 4.64 0.00 -0.09 4.03 4.71 0.22 -0.69 120.64 133.46 1i8l n GLU 35 Ca -0.17 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.03 1i8l n GLU 35 Cb 0.51 0.00 0.10 0.00 -1.01 0.00 0.00 31.44 31.04 1i8l n GLU 35 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1i8l n LYS 36 N 13.93 2.32 -3.25 3.49 4.76 -1.26 -4.89 118.16 133.27 1i8l n LYS 36 Ca 0.00 -2.12 -0.35 0.00 -2.87 0.00 0.00 58.31 52.97 1i8l n LYS 36 Cb 0.00 -1.31 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 1i8l n LYS 36 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1i8l s LYS 37 N -1.92 4.06 -0.15 1.97 3.01 0.14 -5.05 119.74 121.80 1i8l s LYS 37 Ca 0.19 0.62 -0.26 0.00 -1.01 0.00 0.00 55.97 55.52 1i8l s LYS 37 Cb 0.16 -2.82 -0.02 0.00 -1.01 0.00 0.00 37.83 34.14 1i8l s LYS 37 CO 0.04 0.39 0.84 -1.64 0.51 0.00 0.00 175.35 175.49 1i8l s MET 38 N -2.18 4.33 -0.20 1.68 -1.94 -1.26 -0.84 119.30 118.89 1i8l s MET 38 Ca 0.43 1.06 -0.20 0.00 -1.71 0.00 0.00 55.69 55.26 1i8l s MET 38 Cb -0.15 -3.56 -0.18 0.00 2.01 0.00 0.00 34.83 32.96 1i8l s MET 38 CO 0.20 -0.29 0.19 0.28 -0.01 0.00 0.00 175.02 175.39 1i8l h VAL 39 N 5.14 0.85 -1.77 -6.03 2.07 -1.02 -3.42 116.25 112.07 1i8l h VAL 39 Ca -0.31 -2.06 0.11 0.00 0.82 0.00 0.00 66.70 65.26 1i8l h VAL 39 Cb 1.14 2.03 -0.20 0.00 -1.52 0.00 0.00 31.29 32.74 1i8l h VAL 39 CO 0.83 0.29 0.57 -1.48 0.02 0.00 0.00 177.57 177.80 1i8l s LEU 40 N -7.92 -0.33 -0.03 2.57 2.34 -0.91 -1.51 118.68 112.88 1i8l s LEU 40 Ca -0.27 0.22 0.01 0.00 0.06 0.00 0.00 54.13 54.15 1i8l s LEU 40 Cb 0.05 1.84 0.03 0.00 -0.56 0.00 0.00 46.19 47.55 1i8l s LEU 40 CO 0.55 -0.41 -0.01 0.42 -1.06 0.00 0.00 176.35 175.84 1i8l s THR 41 N -1.89 0.25 -0.98 5.48 -4.23 0.64 -1.22 115.64 113.69 1i8l s THR 41 Ca 0.02 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.48 1i8l s THR 41 Cb -0.01 -0.33 0.25 0.00 1.34 0.00 0.00 72.50 73.75 1i8l s THR 41 CO -0.03 0.16 0.93 -0.32 -0.54 0.00 0.00 174.62 174.82 1i8l s MET 42 N 0.95 3.81 -0.78 3.99 0.00 -0.75 -2.11 119.30 124.41 1i8l s MET 42 Ca -0.10 -3.00 -0.24 0.00 0.00 0.00 0.00 55.69 52.35 1i8l s MET 42 Cb -0.14 -4.38 0.06 0.00 0.00 0.00 0.00 34.83 30.38 1i8l s MET 42 CO -0.01 -1.25 1.18 -1.64 0.00 0.00 0.00 175.02 173.29 1i8l s MET 43 N -0.86 3.28 -0.98 4.11 -1.94 0.10 -2.40 119.30 120.62 1i8l s MET 43 Ca 0.26 -0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 53.31 1i8l s MET 43 Cb -0.10 -4.49 0.01 0.00 2.01 0.00 0.00 34.83 32.26 1i8l s MET 43 CO -0.09 -2.00 0.66 0.43 -0.01 0.00 0.00 175.02 174.02 1i8l n SER 44 N 8.34 -5.01 0.00 3.03 7.64 -0.47 -1.74 113.62 125.42 1i8l n SER 44 Ca 0.08 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.98 1i8l n SER 44 Cb 0.48 -2.27 0.00 0.00 -1.01 0.00 0.00 64.21 61.41 1i8l n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i8l n GLY 45 N -1.79 2.26 3.74 0.23 0.00 -1.03 -4.78 105.19 103.81 1i8l n GLY 45 Ca -0.20 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1i8l n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i8l s ASP 46 N 0.00 6.92 0.52 1.61 1.01 -0.71 -5.01 116.67 121.01 1i8l s ASP 46 Ca 0.00 2.41 -0.03 0.00 0.71 0.00 0.00 52.55 55.64 1i8l s ASP 46 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1i8l s ASP 46 CO 0.00 -0.49 0.79 -0.32 0.21 0.00 0.00 175.17 175.36 1i8l s MET 47 N -0.41 3.02 -0.30 8.23 1.75 -1.26 0.03 119.30 130.36 1i8l s MET 47 Ca 0.55 -0.21 -0.16 0.00 -1.25 0.00 0.00 55.69 54.61 1i8l s MET 47 Cb -0.36 -2.41 0.18 0.00 2.84 0.00 0.00 34.83 35.08 1i8l s MET 47 CO 0.40 -0.48 1.16 1.21 -0.65 0.00 0.00 175.02 176.66 1i8l s ASN 48 N -4.25 -0.25 -0.10 1.11 3.84 -0.90 -4.89 114.94 109.50 1i8l s ASN 48 Ca 0.51 0.18 -0.01 0.00 0.21 0.00 0.00 52.86 53.76 1i8l s ASN 48 Cb -0.10 1.22 -0.03 0.00 -0.55 0.00 0.00 41.25 41.79 1i8l s ASN 48 CO 0.42 -0.05 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.98 1i8l s ILE 49 N 2.83 3.60 0.33 -5.21 1.01 -1.26 -0.26 121.20 122.24 1i8l s ILE 49 Ca -0.05 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 59.85 1i8l s ILE 49 Cb -0.08 -2.51 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 1i8l s ILE 49 CO -0.10 0.55 1.00 0.26 0.00 0.00 0.00 174.94 176.65 1i8l s TRP 50 N -0.24 3.57 0.16 3.97 0.51 -0.57 -4.63 118.94 121.70 1i8l s TRP 50 Ca 0.03 1.74 -0.11 0.00 -2.12 0.00 0.00 56.10 55.64 1i8l s TRP 50 Cb -0.13 -3.05 0.19 0.00 -0.81 0.00 0.00 33.47 29.68 1i8l s TRP 50 CO 0.03 -0.15 1.05 -2.30 -0.51 0.00 0.00 176.95 175.07 1i8l n PRO 51 N 0.54 -0.14 0.28 4.98 -0.02 -1.26 0.48 135.00 139.86 1i8l n PRO 51 Ca 0.02 1.04 0.19 0.00 -2.02 0.00 0.00 63.50 62.73 1i8l n PRO 51 Cb 0.49 -1.55 1.00 0.00 -0.02 0.00 0.00 33.50 33.41 1i8l n PRO 51 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1i8l h GLU 52 N 0.00 0.00 0.00 -0.52 5.08 -1.93 -2.72 114.58 114.49 1i8l h GLU 52 Ca 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1i8l h GLU 52 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1i8l h GLU 52 CO -0.68 0.00 -1.06 0.66 -1.00 0.00 0.00 179.01 176.93 1i8l n TYR 53 N -2.80 0.00 0.00 4.33 4.02 0.10 -4.87 117.16 117.94 1i8l n TYR 53 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1i8l n TYR 53 Cb 0.08 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1i8l n TYR 53 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1i8l n LYS 54 N -1.62 0.00 -0.03 -0.72 3.00 0.18 -0.15 118.16 118.82 1i8l n LYS 54 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.35 1i8l n LYS 54 Cb 0.12 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.20 1i8l n LYS 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1i8l n ASN 55 N -1.91 1.98 -0.04 3.14 4.13 -1.26 -4.61 115.26 116.69 1i8l n ASN 55 Ca 0.00 -1.51 0.02 0.00 1.68 0.00 0.00 54.58 54.77 1i8l n ASN 55 Cb 0.00 -0.04 0.04 0.00 -1.54 0.00 0.00 39.78 38.24 1i8l n ASN 55 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1i8l n ARG 56 N 0.49 2.62 -4.46 3.52 1.74 0.79 -5.02 116.66 116.34 1i8l n ARG 56 Ca 0.06 -1.76 -0.21 0.00 -0.77 0.00 0.00 57.85 55.17 1i8l n ARG 56 Cb 0.27 -1.12 -0.14 0.00 -1.02 0.00 0.00 32.46 30.45 1i8l n ARG 56 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1i8l s THR 57 N -1.43 1.17 -0.12 0.55 -4.23 -1.14 -0.34 115.64 110.10 1i8l s THR 57 Ca 0.08 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 1i8l s THR 57 Cb 0.07 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.89 1i8l s THR 57 CO 0.01 0.10 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.39 1i8l s ILE 58 N -0.71 1.68 -0.92 2.99 1.01 -0.18 -4.95 121.20 120.12 1i8l s ILE 58 Ca 0.03 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 1i8l s ILE 58 Cb -0.07 -1.51 0.11 0.00 0.01 0.00 0.00 42.46 40.99 1i8l s ILE 58 CO 0.01 0.48 1.17 0.12 0.00 0.00 0.00 174.94 176.72 1i8l s PHE 59 N 0.93 2.98 -1.06 3.97 5.36 -1.26 -1.29 117.98 127.60 1i8l s PHE 59 Ca -0.07 -1.23 -0.17 0.00 -0.96 0.00 0.00 56.93 54.51 1i8l s PHE 59 Cb -0.15 -4.36 -0.08 0.00 -0.34 0.00 0.00 43.02 38.09 1i8l s PHE 59 CO -0.02 -1.58 2.11 -3.47 -1.46 0.00 0.00 175.22 170.80 1i8l n ASP 60 N 7.05 3.60 -0.32 6.13 2.03 -0.57 -4.81 116.55 129.66 1i8l n ASP 60 Ca 0.23 -2.68 -0.04 0.00 0.52 0.00 0.00 54.79 52.82 1i8l n ASP 60 Cb 0.49 -1.31 0.01 0.00 -0.72 0.00 0.00 41.12 39.59 1i8l n ASP 60 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1i8l h ILE 61 N 4.11 0.05 0.00 5.18 2.04 -1.89 -1.13 117.51 125.87 1i8l h ILE 61 Ca 0.51 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.37 1i8l h ILE 61 Cb 0.58 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1i8l h ILE 61 CO 1.87 0.00 0.00 0.35 0.00 0.00 0.00 178.15 180.37 1i8l n THR 62 N -5.44 0.93 -3.81 -0.27 -2.24 -1.26 -2.78 114.28 99.41 1i8l n THR 62 Ca 0.07 0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.79 1i8l n THR 62 Cb 0.37 -1.16 -0.13 0.00 -2.10 0.00 0.00 70.33 67.31 1i8l n THR 62 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1i8l s ASN 63 N -2.54 3.94 -1.34 3.42 3.84 -0.43 -4.86 114.94 116.98 1i8l s ASN 63 Ca 0.04 -2.97 -0.07 0.00 0.21 0.00 0.00 52.86 50.07 1i8l s ASN 63 Cb 0.03 -1.30 0.04 0.00 -0.55 0.00 0.00 41.25 39.47 1i8l s ASN 63 CO 0.06 -0.22 0.46 0.59 -2.79 0.00 0.00 177.10 175.20 1i8l n ASN 64 N 3.11 -4.46 -2.71 -4.21 5.03 -1.26 -1.79 115.26 108.98 1i8l n ASN 64 Ca 0.10 -0.28 -0.08 0.00 0.87 0.00 0.00 54.58 55.19 1i8l n ASN 64 Cb 0.34 -3.67 -0.01 0.00 -1.02 0.00 0.00 39.78 35.43 1i8l n ASN 64 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1i8l n LEU 65 N -3.70 -0.42 -4.75 3.41 4.77 -1.12 -0.83 117.00 114.37 1i8l n LEU 65 Ca -0.06 0.24 -0.33 0.00 -0.03 0.00 0.00 56.01 55.82 1i8l n LEU 65 Cb 0.57 -1.37 0.07 0.00 -2.33 0.00 0.00 43.42 40.36 1i8l n LEU 65 CO 0.46 -0.01 0.75 -0.44 -1.33 0.00 0.00 177.39 176.82 1i8l s SER 66 N -2.15 4.73 -0.09 -1.43 0.01 -0.74 -4.48 113.70 109.55 1i8l s SER 66 Ca 0.09 2.08 0.02 0.00 1.31 0.00 0.00 55.95 59.46 1i8l s SER 66 Cb -0.05 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1i8l s SER 66 CO 0.12 -1.89 -0.15 0.27 0.41 0.00 0.00 173.24 171.99 1i8l s ILE 67 N -2.31 2.92 -0.26 1.44 -4.36 -0.78 -1.52 121.20 116.33 1i8l s ILE 67 Ca 0.68 -0.74 -0.03 0.00 -0.26 0.00 0.00 60.65 60.30 1i8l s ILE 67 Cb -0.22 -2.17 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1i8l s ILE 67 CO 0.44 0.56 -0.03 -0.69 0.24 0.00 0.00 174.94 175.46 1i8l s VAL 68 N -0.14 3.10 -0.39 8.37 1.01 -0.41 -0.84 120.40 131.10 1i8l s VAL 68 Ca -0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 1i8l s VAL 68 Cb -0.14 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1i8l s VAL 68 CO 0.03 0.16 0.32 -0.63 0.00 0.00 0.00 175.10 174.99 1i8l s ILE 69 N 1.35 5.22 -0.07 2.22 1.01 0.99 -1.01 121.20 130.92 1i8l s ILE 69 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 1i8l s ILE 69 Cb -0.17 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1i8l s ILE 69 CO -0.03 -0.24 0.46 -0.76 0.00 0.00 0.00 174.94 174.37 1i8l s LEU 70 N 1.83 4.36 -0.21 2.97 1.43 0.54 -1.17 118.68 128.43 1i8l s LEU 70 Ca 0.08 0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1i8l s LEU 70 Cb -0.18 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1i8l s LEU 70 CO 0.11 0.13 0.23 0.00 0.23 0.00 0.00 176.35 177.05 1i8l n ALA 71 N 2.93 -2.34 -2.42 4.21 0.00 -1.25 -4.73 120.51 116.91 1i8l n ALA 71 Ca -0.10 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1i8l n ALA 71 Cb 0.52 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1i8l n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i8l s LEU 72 N -2.20 4.33 0.07 0.00 1.43 -1.18 -4.89 118.68 116.24 1i8l s LEU 72 Ca 0.04 1.95 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1i8l s LEU 72 Cb -0.01 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1i8l s LEU 72 CO 0.26 -0.53 0.09 -0.13 0.23 0.00 0.00 176.35 176.27 1i8l s ARG 73 N 1.62 2.95 0.28 1.70 0.52 -1.26 -2.90 118.95 121.86 1i8l s ARG 73 Ca 0.58 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 55.14 1i8l s ARG 73 Cb -0.28 -2.77 0.47 0.00 0.52 0.00 0.00 34.95 32.90 1i8l s ARG 73 CO 0.26 0.58 1.88 -1.00 0.02 0.00 0.00 175.30 177.04 1i8l h PRO 74 N 3.34 1.07 -0.15 3.54 0.13 -1.94 0.12 132.00 138.11 1i8l h PRO 74 Ca -0.47 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1i8l h PRO 74 Cb 1.16 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1i8l h PRO 74 CO 0.67 0.71 0.38 0.66 -0.23 0.00 0.00 178.00 180.19 1i8l h SER 75 N 1.10 0.00 0.06 1.44 4.64 -1.95 -0.56 113.55 118.28 1i8l h SER 75 Ca 0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 1i8l h SER 75 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1i8l h SER 75 CO -0.19 0.00 -0.05 0.44 -0.87 0.00 0.00 176.83 176.16 1i8l h ASP 76 N 0.00 0.00 -3.64 4.97 3.45 -1.36 -3.44 116.42 116.40 1i8l h ASP 76 Ca 0.07 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.99 1i8l h ASP 76 Cb 0.84 0.00 0.19 0.00 -0.56 0.00 0.00 39.33 39.80 1i8l h ASP 76 CO -0.00 0.05 -0.15 -1.84 -1.57 0.00 0.00 179.24 175.73 1i8l n GLU 77 N -4.37 0.13 -1.17 3.56 -0.00 -0.22 -4.86 120.64 113.71 1i8l n GLU 77 Ca -0.03 0.10 0.00 0.00 -0.00 0.00 0.00 57.16 57.23 1i8l n GLU 77 Cb 0.13 -2.07 0.00 0.00 -0.00 0.00 0.00 31.44 29.50 1i8l n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1i8l n GLY 78 N 1.19 0.49 3.06 -1.84 0.00 0.20 -4.93 105.19 103.36 1i8l n GLY 78 Ca 0.11 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 1i8l n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8l s THR 79 N -3.10 2.03 0.13 2.61 2.01 -1.26 0.49 115.64 118.56 1i8l s THR 79 Ca 0.00 -1.42 0.00 0.00 0.31 0.00 0.00 61.69 60.58 1i8l s THR 79 Cb 0.00 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1i8l s THR 79 CO 0.00 0.08 0.30 -0.31 -0.69 0.00 0.00 174.62 173.99 1i8l s TYR 80 N 1.19 3.49 -0.06 4.92 1.51 0.27 -0.61 117.35 128.06 1i8l s TYR 80 Ca -0.06 0.25 -0.05 0.00 -1.01 0.00 0.00 57.07 56.21 1i8l s TYR 80 Cb -0.18 -1.77 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1i8l s TYR 80 CO -0.07 0.50 0.16 -1.83 -1.11 0.00 0.00 175.55 173.20 1i8l s GLU 81 N -2.98 0.15 -0.25 -0.62 -1.05 0.84 0.58 118.70 115.36 1i8l s GLU 81 Ca 0.36 0.28 -0.05 0.00 -0.15 0.00 0.00 54.97 55.42 1i8l s GLU 81 Cb -0.12 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.56 1i8l s GLU 81 CO 0.28 -0.08 0.01 0.00 0.95 0.00 0.00 175.26 176.43 1i8l s VAL 83 N 1.48 3.53 -0.20 0.00 1.01 -0.12 -1.79 120.40 124.30 1i8l s VAL 83 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1i8l s VAL 83 Cb -0.16 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1i8l s VAL 83 CO -0.00 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 174.81 1i8l s VAL 84 N 0.79 3.26 -0.39 2.92 1.01 0.30 -0.39 120.40 127.90 1i8l s VAL 84 Ca -0.02 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1i8l s VAL 84 Cb -0.15 -2.46 0.11 0.00 0.00 0.00 0.00 36.38 33.89 1i8l s VAL 84 CO 0.02 0.45 0.12 -0.76 0.00 0.00 0.00 175.10 174.92 1i8l s LEU 85 N 1.22 4.25 0.03 3.92 1.43 0.25 0.93 118.68 130.71 1i8l s LEU 85 Ca 0.02 -2.33 -0.27 0.00 -1.03 0.00 0.00 54.13 50.52 1i8l s LEU 85 Cb -0.14 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 1i8l s LEU 85 CO -0.02 -0.34 0.86 -0.54 0.23 0.00 0.00 176.35 176.53 1i8l s LYS 86 N 0.66 4.55 -0.42 1.70 3.01 -0.83 -1.64 119.74 126.77 1i8l s LYS 86 Ca 0.13 1.22 -0.27 0.00 -1.01 0.00 0.00 55.97 56.04 1i8l s LYS 86 Cb -0.21 -3.41 0.02 0.00 -1.01 0.00 0.00 37.83 33.23 1i8l s LYS 86 CO -0.08 0.14 1.02 -0.47 0.51 0.00 0.00 175.35 176.47 1i8l s TYR 87 N 0.38 2.96 -0.05 3.18 6.14 -0.91 -1.26 117.35 127.79 1i8l s TYR 87 Ca 0.44 0.71 0.05 0.00 0.64 0.00 0.00 57.07 58.90 1i8l s TYR 87 Cb -0.21 -4.00 -0.02 0.00 0.42 0.00 0.00 41.96 38.15 1i8l s TYR 87 CO 0.25 -1.04 -0.19 -1.21 0.64 0.00 0.00 175.55 174.01 1i8l s GLU 88 N 3.90 2.50 0.00 4.97 2.02 -0.92 -4.91 118.70 126.27 1i8l s GLU 88 Ca 0.42 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1i8l s GLU 88 Cb -0.10 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1i8l s GLU 88 CO 0.25 0.53 0.00 0.36 0.02 0.00 0.00 175.26 176.42 1i8l n LYS 89 N 2.55 0.00 -0.04 1.61 2.85 -1.26 -1.47 118.16 122.40 1i8l n LYS 89 Ca -0.17 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.00 1i8l n LYS 89 Cb 0.52 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.97 1i8l n LYS 89 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1i8l h ASP 90 N 0.00 0.72 -1.87 -5.58 2.03 -2.02 -3.49 116.42 106.22 1i8l h ASP 90 Ca 0.00 -0.32 0.35 0.00 -0.73 0.00 0.00 57.03 56.33 1i8l h ASP 90 Cb 0.00 -0.20 -0.07 0.00 -0.83 0.00 0.00 39.33 38.23 1i8l h ASP 90 CO 0.00 1.03 0.88 0.00 -1.03 0.00 0.00 179.24 180.11 1i8l n ALA 91 N -2.51 -3.43 -1.76 4.15 0.00 -0.54 -5.16 120.51 111.25 1i8l n ALA 91 Ca -0.02 -0.68 -0.39 0.00 0.00 0.00 0.00 53.44 52.35 1i8l n ALA 91 Cb 0.52 0.06 0.01 0.00 0.00 0.00 0.00 19.45 20.03 1i8l n ALA 91 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1i8l s PHE 92 N -2.06 2.69 -0.02 0.00 0.40 -1.26 -2.16 117.98 115.57 1i8l s PHE 92 Ca 0.29 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 58.03 1i8l s PHE 92 Cb -0.00 -3.67 0.02 0.00 0.51 0.00 0.00 43.02 39.88 1i8l s PHE 92 CO -0.02 -2.22 0.01 0.15 0.70 0.00 0.00 175.22 173.85 1i8l s LYS 93 N -2.47 0.13 0.03 0.44 1.02 -0.39 -4.91 119.74 113.60 1i8l s LYS 93 Ca 0.61 0.10 -0.35 0.00 0.02 0.00 0.00 55.97 56.35 1i8l s LYS 93 Cb -0.37 -0.31 -0.14 0.00 -0.52 0.00 0.00 37.83 36.48 1i8l s LYS 93 CO 0.47 -0.12 1.64 -2.13 -0.92 0.00 0.00 175.35 174.29 1i8l n ARG 94 N 3.94 1.86 -0.02 1.68 0.63 -1.26 -1.96 116.66 121.53 1i8l n ARG 94 Ca -0.25 0.68 0.05 0.00 -0.92 0.00 0.00 57.85 57.42 1i8l n ARG 94 Cb 0.52 -2.44 -0.12 0.00 0.45 0.00 0.00 32.46 30.87 1i8l n ARG 94 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1i8l n GLU 95 N 4.38 0.67 -3.59 -0.14 2.13 0.26 -4.84 120.64 119.51 1i8l n GLU 95 Ca 0.20 -0.12 -0.12 0.00 0.66 0.00 0.00 57.16 57.78 1i8l n GLU 95 Cb 0.25 -1.38 -0.06 0.00 0.27 0.00 0.00 31.44 30.52 1i8l n GLU 95 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1i8l s HIS 96 N -2.98 -0.50 -0.02 4.31 5.04 -0.91 -4.97 115.29 115.25 1i8l s HIS 96 Ca -0.06 1.01 -0.00 0.00 -1.54 0.00 0.00 55.06 54.47 1i8l s HIS 96 Cb 0.09 0.40 0.03 0.00 0.04 0.00 0.00 32.58 33.14 1i8l s HIS 96 CO 0.66 -0.37 0.03 -1.17 -2.34 0.00 0.00 174.74 171.55 1i8l s LEU 97 N -0.60 1.17 0.02 8.88 2.96 -1.26 -0.54 118.68 129.31 1i8l s LEU 97 Ca -0.02 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1i8l s LEU 97 Cb -0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.60 1i8l s LEU 97 CO 0.01 -0.12 -0.02 0.00 -1.32 0.00 0.00 176.35 174.90 1i8l s ALA 98 N 0.96 0.10 -0.06 5.97 0.00 -0.74 -4.99 121.76 122.99 1i8l s ALA 98 Ca -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1i8l s ALA 98 Cb -0.11 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1i8l s ALA 98 CO -0.03 -0.15 -0.10 -2.00 0.00 0.00 0.00 175.76 173.48 1i8l s GLU 99 N -1.37 1.53 0.04 0.00 2.12 -1.26 -0.94 118.70 118.82 1i8l s GLU 99 Ca -0.15 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 54.91 1i8l s GLU 99 Cb -0.09 -1.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.96 1i8l s GLU 99 CO -0.01 -0.01 -0.21 0.08 -0.54 0.00 0.00 175.26 174.57 1i8l s VAL 100 N 0.78 1.72 -0.16 3.70 1.01 0.19 -2.61 120.40 125.03 1i8l s VAL 100 Ca -0.13 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 1i8l s VAL 100 Cb -0.15 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1i8l s VAL 100 CO 0.02 0.23 -0.11 0.42 0.00 0.00 0.00 175.10 175.66 1i8l s THR 101 N -0.79 3.06 -0.14 3.92 -4.23 -0.28 0.98 115.64 118.16 1i8l s THR 101 Ca 0.08 -0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1i8l s THR 101 Cb -0.09 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 1i8l s THR 101 CO 0.02 0.50 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.32 1i8l s LEU 102 N 0.74 3.19 -0.12 4.79 2.96 0.18 -0.63 118.68 129.78 1i8l s LEU 102 Ca -0.05 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1i8l s LEU 102 Cb -0.15 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1i8l s LEU 102 CO 0.02 0.20 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.20 1i8l s SER 103 N 0.18 2.33 0.02 3.68 1.04 -0.62 0.62 113.70 120.95 1i8l s SER 103 Ca -0.03 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 1i8l s SER 103 Cb -0.14 -0.95 -0.05 0.00 0.10 0.00 0.00 66.02 64.98 1i8l s SER 103 CO 0.03 -0.09 0.31 -0.69 0.98 0.00 0.00 173.24 173.78 1i8l s VAL 104 N 1.59 5.22 -0.09 5.02 1.01 -1.26 -2.02 120.40 129.87 1i8l s VAL 104 Ca 0.04 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 1i8l s VAL 104 Cb -0.13 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1i8l s VAL 104 CO -0.08 0.39 -0.06 -0.75 0.00 0.00 0.00 175.10 174.60 1i8l s LYS 105 N -1.67 2.99 -0.34 2.72 2.47 -0.17 -4.94 119.74 120.81 1i8l s LYS 105 Ca 0.28 -0.53 0.15 0.00 -1.56 0.00 0.00 55.97 54.31 1i8l s LYS 105 Cb -0.14 -2.68 0.44 0.00 -1.46 0.00 0.00 37.83 33.99 1i8l s LYS 105 CO 0.15 0.57 1.21 0.00 0.16 0.00 0.00 175.35 177.44 1i8l n ALA 106 N 2.53 2.48 -1.76 3.13 0.00 -1.26 -0.53 120.51 125.10 1i8l n ALA 106 Ca -0.18 -2.10 -0.38 0.00 0.00 0.00 0.00 53.44 50.77 1i8l n ALA 106 Cb 0.53 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 19.08 1i8l n ALA 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i8l s ASP 107 N -2.28 5.52 0.17 0.00 1.11 -1.26 -0.97 116.67 118.96 1i8l s ASP 107 Ca 0.22 2.73 -0.30 0.00 0.18 0.00 0.00 52.55 55.39 1i8l s ASP 107 Cb 0.41 -2.64 -0.07 0.00 1.07 0.00 0.00 42.92 41.70 1i8l s ASP 107 CO -0.05 -1.40 0.93 -0.36 1.18 0.00 0.00 175.17 175.48 1i8l s PHE 108 N -1.31 3.90 0.83 4.23 0.40 -1.26 -4.64 117.98 120.12 1i8l s PHE 108 Ca 0.68 1.83 -0.10 0.00 -0.60 0.00 0.00 56.93 58.74 1i8l s PHE 108 Cb -0.39 -3.00 0.09 0.00 0.51 0.00 0.00 43.02 40.23 1i8l s PHE 108 CO 0.48 0.34 1.11 -1.25 0.70 0.00 0.00 175.22 176.60 1i8l s PRO 109 N -0.61 1.80 0.20 0.24 0.04 -1.26 -4.88 135.00 130.53 1i8l s PRO 109 Ca 0.43 1.27 -0.32 0.00 0.04 0.00 0.00 61.00 62.42 1i8l s PRO 109 Cb -0.24 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 1i8l s PRO 109 CO 0.30 -2.00 1.69 2.41 0.04 0.00 0.00 177.00 179.45 1i8l n THR 110 N -3.78 0.01 -1.94 1.26 -1.04 -1.26 -4.82 114.28 102.71 1i8l n THR 110 Ca 0.10 -0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.75 1i8l n THR 110 Cb 0.53 -1.89 0.04 0.00 -1.82 0.00 0.00 70.33 67.19 1i8l n THR 110 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1i8l s PRO 111 N 1.14 2.86 -0.22 -2.82 0.04 -1.26 -4.92 135.00 129.82 1i8l s PRO 111 Ca 0.76 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 63.62 1i8l s PRO 111 Cb -0.54 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1i8l s PRO 111 CO 0.34 -1.30 0.00 -1.54 0.04 0.00 0.00 177.00 174.53 1i8l s SER 112 N -1.58 4.71 -0.86 6.66 1.04 0.24 -4.73 113.70 119.18 1i8l s SER 112 Ca 0.78 -0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.87 1i8l s SER 112 Cb -0.32 -1.82 0.22 0.00 0.10 0.00 0.00 66.02 64.21 1i8l s SER 112 CO 0.35 0.01 0.77 -0.63 0.98 0.00 0.00 173.24 174.72 1i8l s ILE 113 N 1.31 4.93 0.60 -1.02 1.01 -1.26 -1.06 121.20 125.71 1i8l s ILE 113 Ca 0.04 -3.17 -0.09 0.00 0.00 0.00 0.00 60.65 57.43 1i8l s ILE 113 Cb -0.15 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1i8l s ILE 113 CO 0.01 -1.04 0.98 -0.94 0.00 0.00 0.00 174.94 173.94 1i8l s SER 114 N 1.01 6.04 0.19 3.58 1.04 -0.73 -4.81 113.70 120.02 1i8l s SER 114 Ca 0.23 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1i8l s SER 114 Cb -0.12 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 1i8l s SER 114 CO -0.08 -0.91 0.07 1.51 0.98 0.00 0.00 173.24 174.81 1i8l s ASP 115 N -4.21 0.71 -0.30 7.02 3.84 -1.26 -0.82 116.67 121.66 1i8l s ASP 115 Ca 0.54 -1.29 -0.22 0.00 -0.00 0.00 0.00 52.55 51.58 1i8l s ASP 115 Cb -0.11 0.24 0.20 0.00 -1.38 0.00 0.00 42.92 41.87 1i8l s ASP 115 CO 0.51 -0.72 1.38 0.72 -0.00 0.00 0.00 175.17 177.06 1i8l s PHE 116 N -3.91 -0.06 0.73 2.11 -0.12 -0.87 -5.00 117.98 110.87 1i8l s PHE 116 Ca 0.31 0.14 -0.13 0.00 -0.05 0.00 0.00 56.93 57.20 1i8l s PHE 116 Cb 0.07 0.34 0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1i8l s PHE 116 CO 0.08 -0.03 1.12 -1.83 -0.05 0.00 0.00 175.22 174.51 1i8l s GLU 117 N 0.37 2.35 0.29 1.99 4.04 -1.26 -1.69 118.70 124.79 1i8l s GLU 117 Ca 0.02 1.36 0.03 0.00 0.04 0.00 0.00 54.97 56.42 1i8l s GLU 117 Cb -0.04 -1.90 -0.04 0.00 0.02 0.00 0.00 34.13 32.17 1i8l s GLU 117 CO -0.14 -1.60 0.14 0.96 -1.84 0.00 0.00 175.26 172.78 1i8l s ILE 118 N -2.55 0.42 0.28 1.83 -4.36 -1.22 -4.86 121.20 110.73 1i8l s ILE 118 Ca 0.66 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.05 1i8l s ILE 118 Cb -0.20 -2.55 0.28 0.00 1.25 0.00 0.00 42.46 41.24 1i8l s ILE 118 CO 0.49 0.00 1.67 -0.65 0.24 0.00 0.00 174.94 176.69 1i8l h PRO 119 N 2.25 0.28 -6.62 0.37 0.11 -1.98 -3.43 132.00 122.99 1i8l h PRO 119 Ca -0.35 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.16 1i8l h PRO 119 Cb 1.25 -0.06 0.11 0.00 0.11 0.00 0.00 31.00 32.41 1i8l h PRO 119 CO 0.55 0.19 0.34 2.41 -0.21 0.00 0.00 178.00 181.27 1i8l n THR 120 N -5.15 1.99 -1.85 -1.15 -1.04 -1.26 -4.88 114.28 100.94 1i8l n THR 120 Ca 0.19 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 1i8l n THR 120 Cb 0.60 -1.31 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 1i8l n THR 120 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1i8l s SER 121 N -0.41 6.54 -1.12 8.00 1.04 -1.26 -3.00 113.70 123.48 1i8l s SER 121 Ca 0.57 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.57 1i8l s SER 121 Cb -0.63 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 62.93 1i8l s SER 121 CO 0.61 -0.93 0.00 -0.46 0.98 0.00 0.00 173.24 173.44 1i8l n ASN 122 N 5.70 -3.27 -4.14 7.02 0.23 -1.26 -4.91 115.26 114.63 1i8l n ASN 122 Ca 0.17 0.26 -0.36 0.00 -0.53 0.00 0.00 54.58 54.11 1i8l n ASN 122 Cb 0.40 -2.98 -0.12 0.00 -2.08 0.00 0.00 39.78 35.00 1i8l n ASN 122 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1i8l s ILE 123 N -2.19 3.28 0.03 1.53 1.09 -1.16 0.98 121.20 124.76 1i8l s ILE 123 Ca 0.00 -1.91 -0.10 0.00 -1.10 0.00 0.00 60.65 57.54 1i8l s ILE 123 Cb 0.00 -3.18 -0.05 0.00 -1.06 0.00 0.00 42.46 38.17 1i8l s ILE 123 CO 0.00 -0.58 0.35 -0.60 -0.10 0.00 0.00 174.94 174.01 1i8l s ARG 124 N 1.17 3.73 -0.15 2.79 3.52 -1.17 -3.45 118.95 125.38 1i8l s ARG 124 Ca 0.06 0.14 -0.04 0.00 -0.13 0.00 0.00 55.73 55.75 1i8l s ARG 124 Cb -0.22 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1i8l s ARG 124 CO -0.03 0.62 -0.01 0.50 -0.81 0.00 0.00 175.30 175.57 1i8l s ARG 125 N -1.67 3.69 -0.01 5.12 3.52 -0.68 -2.65 118.95 126.27 1i8l s ARG 125 Ca 0.29 -0.46 0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1i8l s ARG 125 Cb -0.14 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 1i8l s ARG 125 CO 0.16 0.30 -0.09 0.96 -0.81 0.00 0.00 175.30 175.81 1i8l s ILE 126 N 0.23 3.45 -0.15 4.11 -4.36 0.79 -2.05 121.20 123.23 1i8l s ILE 126 Ca -0.01 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1i8l s ILE 126 Cb -0.13 -2.46 0.02 0.00 1.25 0.00 0.00 42.46 41.14 1i8l s ILE 126 CO 0.02 0.44 -0.14 -0.63 0.24 0.00 0.00 174.94 174.87 1i8l s ILE 127 N -0.93 1.58 -0.18 8.37 1.01 0.00 -1.19 121.20 129.86 1i8l s ILE 127 Ca 0.15 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 1i8l s ILE 127 Cb -0.11 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1i8l s ILE 127 CO 0.05 0.46 0.21 0.00 0.00 0.00 0.00 174.94 175.67 1i8l s SER 129 N 0.46 0.94 0.00 0.00 0.01 -0.22 -1.77 113.70 113.11 1i8l s SER 129 Ca 0.12 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1i8l s SER 129 Cb -0.12 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1i8l s SER 129 CO 0.01 -0.67 0.00 1.07 0.41 0.00 0.00 173.24 174.06 1i8l n THR 130 N -0.28 0.00 -3.72 1.44 5.66 -1.03 -0.59 114.28 115.76 1i8l n THR 130 Ca -0.04 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.93 1i8l n THR 130 Cb 0.64 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.42 1i8l n THR 130 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1i8l n SER 131 N 0.00 -0.33 -2.20 1.09 3.41 -1.26 -0.66 113.62 113.68 1i8l n SER 131 Ca 0.00 -1.49 -0.17 0.00 -0.26 0.00 0.00 58.87 56.96 1i8l n SER 131 Cb 0.00 0.63 0.02 0.00 -0.26 0.00 0.00 64.21 64.59 1i8l n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i8l n GLY 132 N -0.15 -0.25 3.62 5.00 0.00 0.12 -4.31 105.19 109.22 1i8l n GLY 132 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1i8l n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i8l s GLY 133 N -2.63 2.74 -0.16 -0.02 0.00 -1.18 -4.78 107.32 101.29 1i8l s GLY 133 Ca 0.16 -1.00 -0.28 0.00 0.00 0.00 0.00 44.72 43.60 1i8l s GLY 133 CO 0.20 -1.99 0.78 -0.12 0.00 0.00 0.00 173.10 171.97 1i8l s PHE 134 N -3.05 -0.64 0.00 1.90 5.36 -0.14 -0.75 117.98 120.66 1i8l s PHE 134 Ca 0.18 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.46 1i8l s PHE 134 Cb 0.03 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 1i8l s PHE 134 CO 0.10 -0.45 0.00 -0.35 -1.46 0.00 0.00 175.22 173.06 1i8l n PRO 135 N 1.59 0.80 -1.67 10.12 -0.04 -1.26 -4.61 135.00 139.93 1i8l n PRO 135 Ca -0.15 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.82 1i8l n PRO 135 Cb 0.56 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 1i8l n PRO 135 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1i8l n GLU 136 N -0.18 2.01 -1.86 0.54 2.13 -1.26 -4.81 120.64 117.22 1i8l n GLU 136 Ca 0.00 0.73 -0.29 0.00 0.66 0.00 0.00 57.16 58.26 1i8l n GLU 136 Cb 0.00 -2.52 0.09 0.00 0.27 0.00 0.00 31.44 29.28 1i8l n GLU 136 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1i8l s PRO 137 N 2.48 2.02 -0.27 5.31 0.04 -1.26 -4.43 135.00 138.90 1i8l s PRO 137 Ca 0.87 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 1i8l s PRO 137 Cb -0.73 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 31.98 1i8l s PRO 137 CO 0.47 -1.57 0.26 -1.01 0.04 0.00 0.00 177.00 175.18 1i8l s HIS 138 N -3.51 -0.31 0.54 0.56 3.76 -0.53 -4.91 115.29 110.89 1i8l s HIS 138 Ca 0.62 -0.19 -0.18 0.00 -0.15 0.00 0.00 55.06 55.16 1i8l s HIS 138 Cb -0.11 -0.50 -0.06 0.00 1.11 0.00 0.00 32.58 33.01 1i8l s HIS 138 CO 0.50 -0.84 1.04 -1.17 -0.85 0.00 0.00 174.74 173.42 1i8l s LEU 139 N 2.32 3.65 -0.23 0.89 1.98 -1.26 -1.53 118.68 124.49 1i8l s LEU 139 Ca 0.09 1.83 -0.26 0.00 -2.89 0.00 0.00 54.13 52.89 1i8l s LEU 139 Cb -0.15 -4.54 0.10 0.00 0.66 0.00 0.00 46.19 42.27 1i8l s LEU 139 CO -0.29 -0.94 0.90 -0.94 -1.89 0.00 0.00 176.35 173.18 1i8l s SER 140 N -2.51 -0.55 -0.05 3.68 1.04 -0.68 -4.98 113.70 109.66 1i8l s SER 140 Ca 0.64 0.95 0.01 0.00 0.48 0.00 0.00 55.95 58.04 1i8l s SER 140 Cb -0.15 0.93 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 1i8l s SER 140 CO 0.30 -0.26 -0.06 0.26 0.98 0.00 0.00 173.24 174.45 1i8l s TRP 141 N -0.09 2.94 -0.02 5.02 0.52 -1.26 -1.19 118.94 124.85 1i8l s TRP 141 Ca -0.00 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.17 1i8l s TRP 141 Cb -0.04 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.59 1i8l s TRP 141 CO -0.01 0.35 -0.12 -0.51 0.02 0.00 0.00 176.95 176.68 1i8l s LEU 142 N -0.98 1.93 -0.17 2.99 1.43 -0.18 -1.41 118.68 122.30 1i8l s LEU 142 Ca 0.14 -0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.84 1i8l s LEU 142 Cb -0.11 -0.67 -0.06 0.00 0.03 0.00 0.00 46.19 45.39 1i8l s LEU 142 CO 0.03 0.13 -0.32 1.21 0.23 0.00 0.00 176.35 177.62 1i8l n GLU 143 N 2.99 0.51 -3.04 1.70 4.07 -1.11 -1.08 120.64 124.69 1i8l n GLU 143 Ca -0.16 0.23 -0.17 0.00 -0.06 0.00 0.00 57.16 57.00 1i8l n GLU 143 Cb 0.55 -1.42 -0.03 0.00 -0.06 0.00 0.00 31.44 30.47 1i8l n GLU 143 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1i8l n ASN 144 N -4.41 -1.43 -0.04 4.31 4.13 -1.26 -4.61 115.26 111.95 1i8l n ASN 144 Ca -0.13 -2.84 -0.00 0.00 1.68 0.00 0.00 54.58 53.29 1i8l n ASN 144 Cb 0.48 0.47 -0.00 0.00 -1.54 0.00 0.00 39.78 39.19 1i8l n ASN 144 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i8l n GLY 145 N 2.02 0.15 3.46 7.41 0.00 -1.26 -4.93 105.19 112.03 1i8l n GLY 145 Ca 0.19 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1i8l n GLY 145 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i8l s GLU 146 N -1.63 3.68 -0.18 1.61 2.56 -1.26 -5.05 118.70 118.42 1i8l s GLU 146 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 54.97 54.21 1i8l s GLU 146 Cb 0.00 -3.37 -0.03 0.00 2.00 0.00 0.00 34.13 32.73 1i8l s GLU 146 CO 0.00 -0.19 1.56 -1.21 -0.56 0.00 0.00 175.26 174.86 1i8l s GLU 147 N 1.63 3.94 0.43 4.30 2.02 -1.26 -2.75 118.70 127.01 1i8l s GLU 147 Ca 0.06 1.75 -0.05 0.00 0.02 0.00 0.00 54.97 56.75 1i8l s GLU 147 Cb -0.15 -3.98 0.09 0.00 0.10 0.00 0.00 34.13 30.19 1i8l s GLU 147 CO 0.04 -1.12 0.59 1.28 0.02 0.00 0.00 175.26 176.07 1i8l n LEU 148 N 7.90 0.00 -4.16 1.80 4.77 -0.50 -5.02 117.00 121.78 1i8l n LEU 148 Ca 0.18 -0.82 -0.33 0.00 -0.03 0.00 0.00 56.01 55.00 1i8l n LEU 148 Cb 0.45 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 1i8l n LEU 148 CO 0.63 -0.88 -0.48 0.20 -1.33 0.00 0.00 177.39 175.53 1i8l s ASN 149 N -3.22 3.57 0.63 -1.43 0.01 -1.26 -4.77 114.94 108.47 1i8l s ASN 149 Ca 0.35 -0.67 -0.08 0.00 -0.71 0.00 0.00 52.86 51.75 1i8l s ASN 149 Cb -0.01 -1.56 0.01 0.00 0.41 0.00 0.00 41.25 40.10 1i8l s ASN 149 CO 0.24 -0.03 0.96 0.00 -1.51 0.00 0.00 177.10 176.76 1i8l s ALA 150 N 1.32 3.18 -0.03 0.60 0.00 -1.26 -4.92 121.76 120.65 1i8l s ALA 150 Ca 0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 1i8l s ALA 150 Cb -0.14 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.25 1i8l s ALA 150 CO -0.10 -0.91 -0.00 0.82 0.00 0.00 0.00 175.76 175.57 1i8l h ILE 151 N -0.33 0.00 -3.99 0.00 5.03 -1.14 -3.48 117.51 113.60 1i8l h ILE 151 Ca -0.45 -0.26 -0.42 0.00 -0.12 0.00 0.00 64.86 63.61 1i8l h ILE 151 Cb 1.26 0.00 -0.23 0.00 -3.03 0.00 0.00 36.82 34.82 1i8l h ILE 151 CO 0.62 0.00 -0.78 0.20 -0.68 0.00 0.00 178.15 177.50 1i8l s ASN 152 N -3.67 1.60 -0.10 1.72 0.01 -1.19 -4.98 114.94 108.33 1i8l s ASN 152 Ca -0.00 -0.53 -0.08 0.00 -0.71 0.00 0.00 52.86 51.54 1i8l s ASN 152 Cb 0.00 -0.07 0.03 0.00 0.41 0.00 0.00 41.25 41.62 1i8l s ASN 152 CO 0.00 -0.03 0.25 -0.89 -1.51 0.00 0.00 177.10 174.93 1i8l s THR 153 N -1.06 -0.01 0.01 1.60 2.01 -1.26 0.09 115.64 117.03 1i8l s THR 153 Ca -0.01 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1i8l s THR 153 Cb -0.09 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1i8l s THR 153 CO 0.02 0.02 -0.04 0.42 -0.69 0.00 0.00 174.62 174.35 1i8l s THR 154 N 0.47 0.26 -0.05 -0.82 -4.23 -0.20 -5.01 115.64 106.06 1i8l s THR 154 Ca -0.03 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.08 1i8l s THR 154 Cb -0.04 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.52 1i8l s THR 154 CO -0.02 -0.12 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.12 1i8l s VAL 155 N -0.55 1.14 0.05 2.29 1.01 -1.26 -1.74 120.40 121.35 1i8l s VAL 155 Ca -0.04 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1i8l s VAL 155 Cb -0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1i8l s VAL 155 CO -0.00 0.35 -0.05 -0.94 0.00 0.00 0.00 175.10 174.46 1i8l s SER 156 N 0.46 0.65 -0.10 3.32 1.04 -0.82 -5.00 113.70 113.25 1i8l s SER 156 Ca -0.10 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1i8l s SER 156 Cb -0.14 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1i8l s SER 156 CO 0.03 -0.42 -0.20 -1.58 0.98 0.00 0.00 173.24 172.06 1i8l s GLN 157 N -2.83 2.60 -0.25 4.02 0.74 -1.26 -1.19 119.66 121.49 1i8l s GLN 157 Ca -0.01 -0.72 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 1i8l s GLN 157 Cb -0.01 -2.05 -0.03 0.00 1.10 0.00 0.00 33.01 32.03 1i8l s GLN 157 CO -0.05 0.07 1.69 0.34 -0.55 0.00 0.00 175.29 176.80 1i8l s ASP 158 N 0.60 6.22 0.40 6.67 -1.08 0.95 -4.87 116.67 125.56 1i8l s ASP 158 Ca -0.14 1.56 0.12 0.00 -0.52 0.00 0.00 52.55 53.57 1i8l s ASP 158 Cb -0.17 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 39.71 1i8l s ASP 158 CO 0.04 -1.40 1.94 1.55 0.52 0.00 0.00 175.17 177.82 1i8l h PRO 159 N 11.44 0.51 0.11 4.34 0.13 -1.95 0.74 132.00 147.32 1i8l h PRO 159 Ca -0.34 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1i8l h PRO 159 Cb 1.16 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1i8l h PRO 159 CO 1.01 0.34 -0.05 0.93 -0.23 0.00 0.00 178.00 179.99 1i8l h GLU 160 N 0.53 -0.14 0.00 0.86 3.07 -1.98 -3.37 114.58 113.55 1i8l h GLU 160 Ca 0.34 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1i8l h GLU 160 Cb 0.62 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1i8l h GLU 160 CO -0.12 -0.03 0.00 1.79 -1.40 0.00 0.00 179.01 179.26 1i8l h THR 161 N -1.03 0.00 0.00 1.13 1.35 -1.95 -3.47 112.91 108.94 1i8l h THR 161 Ca -0.01 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1i8l h THR 161 Cb 0.18 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1i8l h THR 161 CO 0.02 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.67 1i8l n GLU 162 N -2.96 0.00 -1.97 4.72 1.02 0.26 -4.46 120.64 117.25 1i8l n GLU 162 Ca 0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1i8l n GLU 162 Cb 0.42 -2.76 0.07 0.00 -0.02 0.00 0.00 31.44 29.16 1i8l n GLU 162 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i8l s LEU 163 N 0.00 2.69 0.05 -4.62 1.43 -1.25 -4.67 118.68 112.31 1i8l s LEU 163 Ca 0.00 0.81 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1i8l s LEU 163 Cb 0.00 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1i8l s LEU 163 CO 0.00 -1.67 -0.25 -0.31 0.23 0.00 0.00 176.35 174.35 1i8l s TYR 164 N -3.44 2.20 -0.12 0.29 1.51 0.07 -0.04 117.35 117.82 1i8l s TYR 164 Ca 0.60 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 56.28 1i8l s TYR 164 Cb -0.11 -1.31 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1i8l s TYR 164 CO 0.49 0.13 -0.20 0.00 -1.11 0.00 0.00 175.55 174.86 1i8l s ALA 165 N -0.82 2.03 0.01 3.71 0.00 -0.33 -0.70 121.76 125.67 1i8l s ALA 165 Ca 0.11 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1i8l s ALA 165 Cb -0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 1i8l s ALA 165 CO 0.02 -0.02 -0.24 0.54 0.00 0.00 0.00 175.76 176.06 1i8l s VAL 166 N 0.83 1.94 -0.01 0.00 0.11 0.17 -1.94 120.40 121.50 1i8l s VAL 166 Ca -0.08 -1.17 -0.09 0.00 -2.93 0.00 0.00 61.98 57.71 1i8l s VAL 166 Cb -0.16 -1.64 0.01 0.00 -1.53 0.00 0.00 36.38 33.07 1i8l s VAL 166 CO -0.01 0.43 0.18 -0.55 -3.33 0.00 0.00 175.10 171.83 1i8l s SER 167 N -0.88 -0.06 -0.21 3.54 0.15 -0.71 -2.45 113.70 113.09 1i8l s SER 167 Ca 0.10 -0.04 -0.17 0.00 0.70 0.00 0.00 55.95 56.54 1i8l s SER 167 Cb -0.09 0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1i8l s SER 167 CO 0.00 -0.33 0.54 -0.55 1.20 0.00 0.00 173.24 174.10 1i8l s SER 168 N -1.11 -0.60 -0.15 5.45 0.15 -0.73 -1.03 113.70 115.68 1i8l s SER 168 Ca -0.12 1.11 -0.05 0.00 0.70 0.00 0.00 55.95 57.59 1i8l s SER 168 Cb -0.06 1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 65.31 1i8l s SER 168 CO 0.02 -0.19 0.03 -0.54 1.20 0.00 0.00 173.24 173.75 1i8l s LYS 169 N 0.57 3.67 -0.01 5.44 1.02 0.11 -1.37 119.74 129.17 1i8l s LYS 169 Ca -0.02 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1i8l s LYS 169 Cb -0.05 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1i8l s LYS 169 CO -0.03 0.38 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.57 1i8l s LEU 170 N 0.03 1.89 0.09 3.17 2.96 -0.34 -0.42 118.68 126.06 1i8l s LEU 170 Ca 0.04 -0.09 0.09 0.00 -0.22 0.00 0.00 54.13 53.95 1i8l s LEU 170 Cb -0.13 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1i8l s LEU 170 CO 0.01 0.04 -0.22 -1.81 -1.32 0.00 0.00 176.35 173.06 1i8l s ASP 171 N 0.06 3.60 0.35 3.68 1.11 -1.26 -0.15 116.67 124.06 1i8l s ASP 171 Ca -0.00 -0.58 0.02 0.00 0.18 0.00 0.00 52.55 52.17 1i8l s ASP 171 Cb -0.04 -0.44 -0.01 0.00 1.07 0.00 0.00 42.92 43.51 1i8l s ASP 171 CO -0.00 0.21 0.42 2.22 1.18 0.00 0.00 175.17 179.20 1i8l n PHE 172 N 1.20 -1.21 -3.89 4.23 -1.74 -1.08 -5.01 117.46 109.95 1i8l n PHE 172 Ca -0.17 -2.61 -0.36 0.00 -0.56 0.00 0.00 57.45 53.76 1i8l n PHE 172 Cb 0.52 0.46 -0.12 0.00 1.52 0.00 0.00 39.48 41.87 1i8l n PHE 172 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1i8l s ASN 173 N -3.30 5.26 -0.19 5.98 3.84 -1.26 -3.05 114.94 122.22 1i8l s ASN 173 Ca 0.34 -0.11 -0.05 0.00 0.21 0.00 0.00 52.86 53.25 1i8l s ASN 173 Cb 0.00 -1.93 -0.20 0.00 -0.55 0.00 0.00 41.25 38.57 1i8l s ASN 173 CO 0.25 0.04 3.06 0.23 -2.79 0.00 0.00 177.10 177.88 1i8l n MET 174 N 4.40 1.88 0.03 0.43 2.81 0.27 -3.23 117.12 123.72 1i8l n MET 174 Ca -0.16 -0.99 0.00 0.00 -1.81 0.00 0.00 57.70 54.74 1i8l n MET 174 Cb 0.52 -2.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 1i8l n MET 174 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1i8l n THR 175 N 2.75 0.11 -3.08 2.03 -2.24 -1.26 -4.97 114.28 107.62 1i8l n THR 175 Ca 0.40 0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.90 1i8l n THR 175 Cb 0.69 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 1i8l n THR 175 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1i8l s THR 176 N -2.00 4.67 -0.05 4.28 -4.23 -1.20 -4.89 115.64 112.23 1i8l s THR 176 Ca 0.00 0.94 -0.28 0.00 -1.18 0.00 0.00 61.69 61.17 1i8l s THR 176 Cb 0.00 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1i8l s THR 176 CO 0.00 -0.24 0.93 0.20 -0.54 0.00 0.00 174.62 174.97 1i8l s ASN 177 N -2.37 7.24 0.07 3.99 0.01 -1.26 -4.90 114.94 117.71 1i8l s ASN 177 Ca 0.54 1.51 0.09 0.00 -0.71 0.00 0.00 52.86 54.29 1i8l s ASN 177 Cb -0.10 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1i8l s ASN 177 CO 0.19 -0.29 -0.24 -1.00 -1.51 0.00 0.00 177.10 174.26 1i8l s HIS 178 N 1.27 2.07 -0.47 2.20 3.76 -0.88 -5.01 115.29 118.23 1i8l s HIS 178 Ca 0.48 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 1i8l s HIS 178 Cb -0.19 -1.20 0.13 0.00 1.11 0.00 0.00 32.58 32.42 1i8l s HIS 178 CO 0.23 0.16 0.22 0.45 -0.85 0.00 0.00 174.74 174.95 1i8l s SER 179 N -1.45 4.23 -0.06 1.40 0.15 -1.26 -0.76 113.70 115.94 1i8l s SER 179 Ca 0.10 -2.76 -0.12 0.00 0.70 0.00 0.00 55.95 53.86 1i8l s SER 179 Cb -0.10 -1.48 -0.05 0.00 -1.71 0.00 0.00 66.02 62.68 1i8l s SER 179 CO 0.03 -0.27 0.31 -0.36 1.20 0.00 0.00 173.24 174.15 1i8l s PHE 180 N 0.08 3.64 -0.11 3.44 2.99 0.92 -4.31 117.98 124.63 1i8l s PHE 180 Ca 0.16 0.78 0.00 0.00 0.00 0.00 0.00 56.93 57.88 1i8l s PHE 180 Cb -0.24 -2.19 0.02 0.00 0.00 0.00 0.00 43.02 40.61 1i8l s PHE 180 CO -0.02 0.60 -0.09 1.41 -0.00 0.00 0.00 175.22 177.12 1i8l s MET 181 N -0.79 1.68 -0.64 0.44 -2.45 -0.24 0.46 119.30 117.76 1i8l s MET 181 Ca 0.20 -0.33 -0.16 0.00 -1.25 0.00 0.00 55.69 54.15 1i8l s MET 181 Cb -0.15 -1.64 0.15 0.00 1.25 0.00 0.00 34.83 34.45 1i8l s MET 181 CO 0.09 -0.21 0.62 0.00 1.05 0.00 0.00 175.02 176.57 1i8l s LEU 183 N 1.38 4.19 -0.12 0.00 2.96 -0.34 -2.61 118.68 124.15 1i8l s LEU 183 Ca 0.09 0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1i8l s LEU 183 Cb -0.23 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 1i8l s LEU 183 CO -0.00 0.07 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.38 1i8l s ILE 184 N 0.75 3.47 -0.20 6.68 1.09 0.35 -1.68 121.20 131.65 1i8l s ILE 184 Ca 0.14 -0.53 0.01 0.00 -1.10 0.00 0.00 60.65 59.18 1i8l s ILE 184 Cb -0.13 -2.46 0.04 0.00 -1.06 0.00 0.00 42.46 38.85 1i8l s ILE 184 CO 0.04 0.54 -0.13 -0.54 -0.10 0.00 0.00 174.94 174.75 1i8l s LYS 185 N 0.02 2.27 -0.16 2.79 1.02 -0.58 -1.41 119.74 123.69 1i8l s LYS 185 Ca -0.02 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.03 1i8l s LYS 185 Cb -0.14 -2.53 0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1i8l s LYS 185 CO 0.03 -0.40 -0.03 1.52 -0.92 0.00 0.00 175.35 175.55 1i8l s TYR 186 N 1.32 1.42 0.00 3.18 -0.00 -0.60 -1.46 117.35 121.21 1i8l s TYR 186 Ca -0.01 -0.91 0.00 0.00 -0.00 0.00 0.00 57.07 56.15 1i8l s TYR 186 Cb -0.16 -1.18 0.00 0.00 -0.00 0.00 0.00 41.96 40.62 1i8l s TYR 186 CO -0.09 -0.57 0.00 0.41 -0.00 0.00 0.00 175.55 175.30 1i8l n GLY 187 N 4.95 0.33 0.20 5.49 0.00 -1.26 -2.11 105.19 112.79 1i8l n GLY 187 Ca -0.11 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1i8l n GLY 187 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i8l n HIS 188 N 0.00 0.00 -4.34 1.61 8.25 -1.26 -4.76 115.22 114.72 1i8l n HIS 188 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1i8l n HIS 188 Cb 0.00 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 1i8l n HIS 188 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1i8l s LEU 189 N -0.60 2.98 0.01 2.41 1.43 -0.90 -5.15 118.68 118.86 1i8l s LEU 189 Ca 0.00 -0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 51.88 1i8l s LEU 189 Cb 0.00 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.92 1i8l s LEU 189 CO 0.00 -0.23 0.55 0.00 0.23 0.00 0.00 176.35 176.90 1i8l s ARG 190 N -3.71 1.00 -0.21 1.70 1.70 -1.26 -1.56 118.95 116.60 1i8l s ARG 190 Ca 0.35 -0.06 -0.26 0.00 -0.47 0.00 0.00 55.73 55.29 1i8l s ARG 190 Cb -0.00 0.46 0.07 0.00 -0.57 0.00 0.00 34.95 34.90 1i8l s ARG 190 CO 0.19 -0.33 0.69 0.08 -1.08 0.00 0.00 175.30 174.85 1i8l s VAL 191 N -1.86 0.00 0.00 4.99 1.01 -0.50 -5.02 120.40 119.02 1i8l s VAL 191 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1i8l s VAL 191 Cb -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1i8l s VAL 191 CO 0.03 -0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.67 1i8l n ASN 192 N 2.25 0.00 -3.62 3.32 0.23 -1.26 -0.50 115.26 115.68 1i8l n ASN 192 Ca -0.15 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.83 1i8l n ASN 192 Cb 0.56 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.20 1i8l n ASN 192 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1i8l s GLN 193 N 1.28 0.37 -0.03 -3.83 2.00 -1.07 -4.10 119.66 114.28 1i8l s GLN 193 Ca 0.00 0.27 0.03 0.00 -2.00 0.00 0.00 55.36 53.67 1i8l s GLN 193 Cb 0.00 0.18 -0.03 0.00 0.80 0.00 0.00 33.01 33.96 1i8l s GLN 193 CO 0.00 -0.08 -0.11 0.95 -0.50 0.00 0.00 175.29 175.56 1i8l s THR 194 N -0.37 3.36 -0.12 -0.34 -4.23 -1.26 -0.96 115.64 111.73 1i8l s THR 194 Ca 0.03 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1i8l s THR 194 Cb -0.03 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.44 1i8l s THR 194 CO -0.06 0.51 -0.12 0.12 -0.54 0.00 0.00 174.62 174.52 1i8l s PHE 195 N -0.85 1.80 0.02 3.99 5.36 0.17 -4.99 117.98 123.48 1i8l s PHE 195 Ca 0.14 -0.90 0.06 0.00 -0.96 0.00 0.00 56.93 55.27 1i8l s PHE 195 Cb -0.11 -1.36 -0.03 0.00 -0.34 0.00 0.00 43.02 41.18 1i8l s PHE 195 CO 0.03 -0.52 -0.17 -0.80 -1.46 0.00 0.00 175.22 172.30 1i8l s ASN 196 N 1.33 3.82 -0.12 6.13 0.01 -1.26 -0.06 114.94 124.79 1i8l s ASN 196 Ca -0.00 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.79 1i8l s ASN 196 Cb -0.14 -0.65 0.01 0.00 0.41 0.00 0.00 41.25 40.88 1i8l s ASN 196 CO -0.06 0.28 -0.20 0.86 -1.51 0.00 0.00 177.10 176.46 1i8l s TRP 197 N -0.87 2.45 -0.07 2.20 -0.11 0.06 -5.00 118.94 117.59 1i8l s TRP 197 Ca 0.14 -1.17 0.02 0.00 1.22 0.00 0.00 56.10 56.31 1i8l s TRP 197 Cb -0.10 -1.68 0.02 0.00 -1.50 0.00 0.00 33.47 30.20 1i8l s TRP 197 CO 0.04 -0.54 -0.10 -0.80 -4.62 0.00 0.00 176.95 170.93 1i8l s ASN 198 N 0.76 1.65 0.00 5.86 0.01 -1.26 -2.08 114.94 119.89 1i8l s ASN 198 Ca -0.09 -0.26 0.29 0.00 -0.71 0.00 0.00 52.86 52.08 1i8l s ASN 198 Cb -0.16 -0.75 1.27 0.00 0.41 0.00 0.00 41.25 42.02 1i8l s ASN 198 CO 0.00 -0.00 1.87 0.41 -1.51 0.00 0.00 177.10 177.87