#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rli s ILE 3 N 0.00 1.19 0.03 -0.18 -4.36 -1.26 -0.72 121.20 115.90 1rli s ILE 3 Ca 0.00 -1.27 0.05 0.00 -0.26 0.00 0.00 60.65 59.17 1rli s ILE 3 Cb 0.00 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.57 1rli s ILE 3 CO 0.00 -0.15 -0.15 0.00 0.24 0.00 0.00 174.94 174.88 1rli s ALA 4 N -1.17 1.25 -0.27 2.27 0.00 -0.30 -1.38 121.76 122.16 1rli s ALA 4 Ca -0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.06 1rli s ALA 4 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1rli s ALA 4 CO 0.02 0.25 0.08 0.08 0.00 0.00 0.00 175.76 176.20 1rli s VAL 5 N -0.77 4.24 -0.49 0.00 1.01 0.33 -0.82 120.40 123.90 1rli s VAL 5 Ca 0.03 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1rli s VAL 5 Cb -0.08 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.34 1rli s VAL 5 CO 0.01 0.25 0.43 -0.63 0.00 0.00 0.00 175.10 175.16 1rli s ILE 6 N 1.59 5.22 -0.28 2.22 1.01 0.13 -0.68 121.20 130.40 1rli s ILE 6 Ca 0.05 -1.16 -0.16 0.00 0.00 0.00 0.00 60.65 59.38 1rli s ILE 6 Cb -0.16 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1rli s ILE 6 CO 0.03 -0.66 0.44 0.21 0.00 0.00 0.00 174.94 174.96 1rli s ASN 7 N 2.87 6.32 0.00 3.58 3.84 0.87 -0.97 114.94 131.45 1rli s ASN 7 Ca 0.04 0.31 0.14 0.00 0.21 0.00 0.00 52.86 53.56 1rli s ASN 7 Cb -0.26 -2.24 0.48 0.00 -0.55 0.00 0.00 41.25 38.68 1rli s ASN 7 CO 0.06 -0.26 1.36 0.61 -2.79 0.00 0.00 177.10 176.08 1rli n GLY 8 N 4.61 0.31 0.00 1.21 0.00 0.57 -1.84 105.19 110.05 1rli n GLY 8 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1rli n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rli n GLY 9 N 1.03 2.53 3.38 -0.02 0.00 -1.26 -4.48 105.19 106.38 1rli n GLY 9 Ca 0.12 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 1rli n GLY 9 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rli s THR 10 N 4.13 1.18 -0.57 2.61 -1.32 -1.26 -4.52 115.64 115.89 1rli s THR 10 Ca 0.00 -2.04 -0.28 0.00 -1.21 0.00 0.00 61.69 58.16 1rli s THR 10 Cb 0.00 -2.51 0.03 0.00 -1.51 0.00 0.00 72.50 68.51 1rli s THR 10 CO 0.00 -0.21 1.26 -0.60 -2.21 0.00 0.00 174.62 172.85 1rli s ARG 11 N -3.85 3.46 0.00 7.08 3.52 -1.26 -4.64 118.95 123.26 1rli s ARG 11 Ca 0.31 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1rli s ARG 11 Cb 0.06 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 1rli s ARG 11 CO 0.12 -1.74 0.00 -1.13 -0.81 0.00 0.00 175.30 171.73 1rli n SER 12 N 8.74 0.00 -1.54 -2.12 3.41 -1.26 -5.01 113.62 115.85 1rli n SER 12 Ca 0.10 -0.70 -0.12 0.00 -0.26 0.00 0.00 58.87 57.89 1rli n SER 12 Cb 0.49 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1rli n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rli n GLY 13 N 0.00 -0.03 2.87 5.00 0.00 -1.26 -5.01 105.19 106.75 1rli n GLY 13 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1rli n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rli n GLY 14 N -1.10 -0.11 0.28 -0.02 0.00 -1.26 -4.78 105.19 98.20 1rli n GLY 14 Ca -0.10 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.07 1rli n GLY 14 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1rli h ASN 15 N -0.76 0.43 -0.58 1.61 2.35 -1.95 -0.04 115.58 116.64 1rli h ASN 15 Ca -0.27 0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.46 1rli h ASN 15 Cb 0.89 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 1rli h ASN 15 CO 0.25 0.22 -0.01 0.74 -1.65 0.00 0.00 177.43 176.98 1rli h THR 16 N 0.57 1.26 -0.60 2.81 2.02 -1.94 -2.41 112.91 114.63 1rli h THR 16 Ca 0.39 -1.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 1rli h THR 16 Cb 0.49 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1rli h THR 16 CO -0.32 0.42 0.03 0.44 0.37 0.00 0.00 175.52 176.45 1rli h ASP 17 N 0.96 0.99 -0.27 4.18 3.32 -1.71 -1.19 116.42 122.70 1rli h ASP 17 Ca 0.17 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1rli h ASP 17 Cb 0.56 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1rli h ASP 17 CO 0.03 1.02 0.15 0.58 -1.72 0.00 0.00 179.24 179.31 1rli h VAL 18 N 0.94 1.12 -0.61 -1.35 2.07 -0.83 -0.81 116.25 116.78 1rli h VAL 18 Ca 0.18 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1rli h VAL 18 Cb 0.51 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1rli h VAL 18 CO 0.02 0.12 0.14 0.25 0.02 0.00 0.00 177.57 178.12 1rli h LEU 19 N 0.32 0.93 -0.61 2.57 5.85 -1.31 -2.16 115.31 120.90 1rli h LEU 19 Ca 0.09 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1rli h LEU 19 Cb 0.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1rli h LEU 19 CO -0.02 0.92 0.17 0.00 -0.34 0.00 0.00 178.44 179.18 1rli h ALA 20 N 1.04 0.81 -0.44 1.25 0.00 -1.03 -2.67 119.26 118.22 1rli h ALA 20 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1rli h ALA 20 Cb 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1rli h ALA 20 CO 0.00 0.49 0.08 1.49 0.00 0.00 0.00 179.25 181.31 1rli h GLU 21 N 0.89 0.66 -0.32 0.00 4.57 -0.90 -1.48 114.58 118.01 1rli h GLU 21 Ca 0.20 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1rli h GLU 21 Cb 0.32 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1rli h GLU 21 CO -0.00 0.63 0.20 -0.22 -1.18 0.00 0.00 179.01 178.43 1rli h LYS 22 N 0.64 0.42 0.05 1.92 1.63 -1.05 -1.25 116.57 118.93 1rli h LYS 22 Ca 0.14 -0.03 -0.23 0.00 -0.85 0.00 0.00 60.65 59.68 1rli h LYS 22 Cb 0.29 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1rli h LYS 22 CO 0.00 0.29 -1.04 0.00 -3.45 0.00 0.00 179.45 175.26 1rli h ALA 23 N 1.79 0.32 -0.54 5.00 0.00 -1.12 -3.34 119.26 121.36 1rli h ALA 23 Ca 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1rli h ALA 23 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1rli h ALA 23 CO -0.02 0.98 0.00 1.33 0.00 0.00 0.00 179.25 181.53 1rli n VAL 24 N -3.58 0.86 -1.68 0.00 0.24 -0.94 -4.57 118.33 108.67 1rli n VAL 24 Ca -0.05 -0.93 -0.45 0.00 -2.04 0.00 0.00 64.34 60.87 1rli n VAL 24 Cb 0.91 0.63 -0.04 0.00 -1.47 0.00 0.00 33.84 33.87 1rli n VAL 24 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1rli n GLN 25 N 1.30 2.35 -0.33 7.34 7.27 -0.50 -1.03 117.38 133.79 1rli n GLN 25 Ca 0.20 0.85 0.00 0.00 0.07 0.00 0.00 57.00 58.12 1rli n GLN 25 Cb 0.56 -2.65 0.00 0.00 2.41 0.00 0.00 30.24 30.56 1rli n GLN 25 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rli n GLY 26 N 3.66 1.33 0.00 1.69 0.00 -1.26 -4.87 105.19 105.75 1rli n GLY 26 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1rli n GLY 26 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rli n PHE 27 N -2.00 0.01 -3.71 1.61 3.72 -0.19 -5.00 117.46 111.90 1rli n PHE 27 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1rli n PHE 27 Cb 0.00 -0.14 0.03 0.00 -0.94 0.00 0.00 39.48 38.43 1rli n PHE 27 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1rli n ASP 28 N -1.71 -4.26 -4.88 4.37 4.64 -1.25 -4.91 116.55 108.54 1rli n ASP 28 Ca 0.02 -0.99 -0.30 0.00 -1.38 0.00 0.00 54.79 52.14 1rli n ASP 28 Cb 0.39 -3.45 0.03 0.00 -1.04 0.00 0.00 41.12 37.05 1rli n ASP 28 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1rli s ALA 29 N -3.55 3.07 -0.13 -1.67 0.00 -1.26 -4.79 121.76 113.42 1rli s ALA 29 Ca 0.36 -0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 1rli s ALA 29 Cb -0.13 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1rli s ALA 29 CO 0.86 -0.84 0.63 -1.21 0.00 0.00 0.00 175.76 175.19 1rli s GLU 30 N -5.19 4.32 -0.33 0.00 2.02 -0.48 -4.95 118.70 114.10 1rli s GLU 30 Ca 0.55 0.69 -0.11 0.00 0.02 0.00 0.00 54.97 56.12 1rli s GLU 30 Cb -0.11 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.61 1rli s GLU 30 CO 0.51 -0.05 0.20 -1.01 0.02 0.00 0.00 175.26 174.94 1rli s HIS 31 N 1.24 3.21 -0.28 1.61 3.76 -1.26 -0.51 115.29 123.05 1rli s HIS 31 Ca 0.32 -0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 54.82 1rli s HIS 31 Cb -0.16 -2.42 0.01 0.00 1.11 0.00 0.00 32.58 31.11 1rli s HIS 31 CO 0.13 -0.39 0.06 0.42 -0.85 0.00 0.00 174.74 174.11 1rli s ILE 32 N 1.68 3.85 -0.49 0.60 1.01 0.14 -4.97 121.20 123.02 1rli s ILE 32 Ca 0.06 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1rli s ILE 32 Cb -0.17 -2.94 0.11 0.00 0.01 0.00 0.00 42.46 39.46 1rli s ILE 32 CO 0.09 0.15 0.40 -0.31 0.00 0.00 0.00 174.94 175.26 1rli s TYR 33 N 1.49 3.31 0.13 3.97 2.02 -1.26 -0.09 117.35 126.92 1rli s TYR 33 Ca 0.03 -1.43 -0.33 0.00 -0.37 0.00 0.00 57.07 54.97 1rli s TYR 33 Cb -0.17 -3.46 -0.12 0.00 -0.40 0.00 0.00 41.96 37.81 1rli s TYR 33 CO 0.01 -0.94 1.71 1.28 -1.57 0.00 0.00 175.55 176.04 1rli n LEU 34 N 5.09 3.57 -2.61 -1.29 4.77 -0.77 -5.00 117.00 120.77 1rli n LEU 34 Ca -0.11 1.04 -0.19 0.00 -0.03 0.00 0.00 56.01 56.72 1rli n LEU 34 Cb 0.41 -1.48 0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1rli n LEU 34 CO 0.47 -0.04 -0.00 -0.90 -1.33 0.00 0.00 177.39 175.58 1rli n ASP 58 N 4.48 -5.50 -0.07 -1.43 5.75 -1.26 -4.85 116.55 113.67 1rli n ASP 58 Ca 0.18 -0.24 -0.07 0.00 -0.01 0.00 0.00 54.79 54.64 1rli n ASP 58 Cb 0.32 -4.34 -0.00 0.00 -1.03 0.00 0.00 41.12 36.07 1rli n ASP 58 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1rli h TYR 59 N -1.18 0.05 -0.85 2.11 3.20 -2.05 -0.90 116.97 117.35 1rli h TYR 59 Ca -0.46 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1rli h TYR 59 Cb 1.32 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.57 1rli h TYR 59 CO 0.45 -0.01 0.54 -0.44 -1.64 0.00 0.00 178.16 177.06 1rli h ASP 60 N 0.13 1.00 -0.60 -2.11 3.32 -2.05 -0.70 116.42 115.42 1rli h ASP 60 Ca 0.13 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1rli h ASP 60 Cb 0.15 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1rli h ASP 60 CO -0.20 0.75 0.12 -1.28 -1.72 0.00 0.00 179.24 176.91 1rli h SER 61 N 1.16 0.95 -0.49 6.45 0.87 -1.87 -2.20 113.55 118.42 1rli h SER 61 Ca 0.31 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 1rli h SER 61 Cb -0.09 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 1rli h SER 61 CO -0.06 0.94 -0.00 0.40 -0.53 0.00 0.00 176.83 177.58 1rli h ILE 62 N 0.95 1.26 -0.83 2.23 2.04 -0.26 -2.01 117.51 120.90 1rli h ILE 62 Ca 0.20 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1rli h ILE 62 Cb 0.39 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1rli h ILE 62 CO 0.01 0.38 0.45 0.40 0.00 0.00 0.00 178.15 179.38 1rli h ILE 63 N 0.74 1.25 -0.54 -0.67 1.08 -0.94 -1.06 117.51 117.36 1rli h ILE 63 Ca 0.14 -0.62 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 1rli h ILE 63 Cb 0.52 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1rli h ILE 63 CO 0.03 0.28 0.17 -0.33 -0.69 0.00 0.00 178.15 177.61 1rli h GLU 64 N 1.15 0.84 -0.52 2.37 5.08 -1.21 -1.11 114.58 121.18 1rli h GLU 64 Ca 0.29 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1rli h GLU 64 Cb 0.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1rli h GLU 64 CO -0.05 0.76 0.12 0.00 -1.00 0.00 0.00 179.01 178.85 1rli h ARG 65 N 0.75 0.84 -0.07 2.33 3.08 -0.96 -3.03 114.38 117.32 1rli h ARG 65 Ca 0.18 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1rli h ARG 65 Cb 0.27 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1rli h ARG 65 CO -0.01 0.80 -0.53 -0.84 -1.07 0.00 0.00 179.97 178.33 1rli h ILE 66 N 0.73 1.36 0.00 2.04 3.07 -1.06 -2.81 117.51 120.84 1rli h ILE 66 Ca 0.16 -1.81 0.00 0.00 1.55 0.00 0.00 64.86 64.77 1rli h ILE 66 Cb 0.34 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 1rli h ILE 66 CO 0.00 0.53 0.00 -0.07 -1.05 0.00 0.00 178.15 177.56 1rli h LEU 67 N 0.15 0.00 -0.38 0.16 3.38 -1.08 -1.70 115.31 115.84 1rli h LEU 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rli h LEU 67 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1rli h LEU 67 CO 0.08 0.00 -0.37 0.00 0.09 0.00 0.00 178.44 178.24 1rli n GLN 68 N -2.84 0.61 -4.10 1.13 6.02 -1.06 -4.88 117.38 112.25 1rli n GLN 68 Ca -0.02 -0.38 -0.36 0.00 -0.01 0.00 0.00 57.00 56.24 1rli n GLN 68 Cb 0.11 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.80 1rli n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rli h HIS 70 N 5.51 0.00 -3.27 0.00 2.07 -1.22 -3.45 115.15 114.79 1rli h HIS 70 Ca -0.49 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.37 1rli h HIS 70 Cb 1.20 0.00 -0.34 0.00 2.57 0.00 0.00 27.41 30.84 1rli h HIS 70 CO 0.66 0.00 -0.87 0.42 -3.07 0.00 0.00 177.93 175.07 1rli s ILE 71 N -3.19 1.98 -0.12 6.12 1.01 -1.20 -1.23 121.20 124.57 1rli s ILE 71 Ca 0.05 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1rli s ILE 71 Cb 0.13 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1rli s ILE 71 CO 0.74 0.54 -0.21 -0.76 0.00 0.00 0.00 174.94 175.24 1rli s LEU 72 N 0.65 2.02 -0.25 2.97 1.43 -0.32 -1.15 118.68 124.02 1rli s LEU 72 Ca -0.12 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1rli s LEU 72 Cb -0.16 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1rli s LEU 72 CO 0.02 0.10 -0.04 -0.63 0.23 0.00 0.00 176.35 176.04 1rli s ILE 73 N 0.65 3.09 -0.40 -0.59 1.01 -0.00 -1.32 121.20 123.63 1rli s ILE 73 Ca -0.12 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.41 1rli s ILE 73 Cb -0.16 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.76 1rli s ILE 73 CO 0.03 0.19 0.55 -0.36 0.00 0.00 0.00 174.94 175.35 1rli s PHE 74 N 1.36 3.13 -0.20 3.97 0.08 0.12 0.17 117.98 126.61 1rli s PHE 74 Ca 0.01 -0.03 -0.03 0.00 0.12 0.00 0.00 56.93 57.00 1rli s PHE 74 Cb -0.17 -3.09 -0.01 0.00 -0.57 0.00 0.00 43.02 39.19 1rli s PHE 74 CO -0.03 -0.71 -0.07 0.00 -0.10 0.00 0.00 175.22 174.31 1rli s ALA 75 N 2.52 2.74 -0.04 5.36 0.00 -0.14 -0.78 121.76 131.41 1rli s ALA 75 Ca 0.19 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 1rli s ALA 75 Cb -0.15 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.40 1rli s ALA 75 CO 0.16 -0.33 0.22 -0.08 0.00 0.00 0.00 175.76 175.73 1rli s THR 76 N 1.31 0.04 0.71 0.00 -1.32 0.03 -0.31 115.64 116.09 1rli s THR 76 Ca 0.04 -0.32 -0.11 0.00 -1.21 0.00 0.00 61.69 60.09 1rli s THR 76 Cb -0.14 -0.43 0.01 0.00 -1.51 0.00 0.00 72.50 70.43 1rli s THR 76 CO -0.03 -0.18 1.06 -2.16 -2.21 0.00 0.00 174.62 171.10 1rli s PRO 77 N -0.67 2.86 -0.27 7.08 0.04 -1.26 -2.29 135.00 140.49 1rli s PRO 77 Ca -0.08 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 61.68 1rli s PRO 77 Cb -0.04 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1rli s PRO 77 CO 0.02 -1.13 0.30 0.42 0.04 0.00 0.00 177.00 176.64 1rli s ILE 78 N -3.10 5.24 -0.18 0.56 1.01 0.78 -3.54 121.20 121.97 1rli s ILE 78 Ca 0.58 0.41 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 1rli s ILE 78 Cb -0.14 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1rli s ILE 78 CO 0.55 0.21 -0.14 -0.31 0.00 0.00 0.00 174.94 175.25 1rli s TYR 79 N 1.84 2.83 -1.46 3.97 2.02 -0.45 -4.73 117.35 121.37 1rli s TYR 79 Ca 0.12 -1.21 -0.06 0.00 -0.37 0.00 0.00 57.07 55.55 1rli s TYR 79 Cb -0.16 -1.96 0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1rli s TYR 79 CO 0.10 -0.60 0.68 0.91 -1.57 0.00 0.00 175.55 175.06 1rli n TRP 80 N 4.43 -1.88 -2.03 2.71 7.02 -1.26 -1.07 117.44 125.36 1rli n TRP 80 Ca -0.19 0.82 -0.20 0.00 -1.02 0.00 0.00 57.50 56.91 1rli n TRP 80 Cb 0.51 -3.85 -0.04 0.00 -2.42 0.00 0.00 31.31 25.51 1rli n TRP 80 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1rli n PHE 81 N -4.43 -0.54 -3.64 -5.99 3.72 -1.26 -4.93 117.46 100.39 1rli n PHE 81 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1rli n PHE 81 Cb 0.62 -3.60 0.00 0.00 -0.94 0.00 0.00 39.48 35.56 1rli n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rli n GLY 82 N -0.82 3.95 3.81 1.37 0.00 -0.23 -4.37 105.19 108.90 1rli n GLY 82 Ca -0.22 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 1rli n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1rli n MET 83 N 0.00 -1.00 -1.35 1.61 0.00 -1.26 -1.35 117.12 113.78 1rli n MET 83 Ca 0.00 -2.19 -0.31 0.00 0.00 0.00 0.00 57.70 55.20 1rli n MET 83 Cb 0.00 -1.18 0.08 0.00 0.00 0.00 0.00 33.22 32.12 1rli n MET 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1rli s SER 84 N -5.61 4.75 0.35 3.17 1.04 -1.23 -4.11 113.70 112.07 1rli s SER 84 Ca 0.72 1.76 0.06 0.00 0.48 0.00 0.00 55.95 58.97 1rli s SER 84 Cb -0.02 -2.51 0.66 0.00 0.10 0.00 0.00 66.02 64.25 1rli s SER 84 CO 0.50 -1.87 1.88 1.23 0.98 0.00 0.00 173.24 175.96 1rli h GLY 85 N -1.01 0.43 0.95 7.32 0.00 -1.95 -1.26 103.07 107.55 1rli h GLY 85 Ca -0.44 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 1rli h GLY 85 CO 0.53 0.25 0.07 -0.84 0.00 0.00 0.00 176.54 176.54 1rli h THR 86 N 0.38 1.24 -0.26 4.70 2.02 -1.91 -0.91 112.91 118.17 1rli h THR 86 Ca 0.08 -0.89 -0.14 0.00 0.77 0.00 0.00 66.41 66.23 1rli h THR 86 Cb 0.37 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1rli h THR 86 CO 0.02 0.31 -0.42 0.25 0.37 0.00 0.00 175.52 176.04 1rli h LEU 87 N 0.55 0.68 -0.14 2.58 5.85 -1.73 -2.41 115.31 120.69 1rli h LEU 87 Ca 0.13 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1rli h LEU 87 Cb 0.38 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1rli h LEU 87 CO 0.01 1.01 0.08 0.50 -0.34 0.00 0.00 178.44 179.70 1rli h LYS 88 N 0.52 0.16 -0.37 1.25 1.63 -1.05 -1.02 116.57 117.69 1rli h LYS 88 Ca 0.04 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1rli h LYS 88 Cb 0.95 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.52 1rli h LYS 88 CO 0.09 0.11 0.17 -0.07 -3.45 0.00 0.00 179.45 176.29 1rli h LEU 89 N 0.17 0.45 0.05 5.20 3.38 -1.07 -0.66 115.31 122.84 1rli h LEU 89 Ca 0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rli h LEU 89 Cb -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1rli h LEU 89 CO -0.03 0.40 -0.02 0.15 0.09 0.00 0.00 178.44 179.02 1rli h PHE 90 N 0.51 -0.06 -0.44 1.13 3.57 -0.98 -2.49 116.94 118.18 1rli h PHE 90 Ca 0.13 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1rli h PHE 90 Cb 0.07 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1rli h PHE 90 CO 0.00 0.37 -0.02 0.82 -2.23 0.00 0.00 178.31 177.25 1rli h ILE 91 N -0.52 1.24 -0.72 1.41 2.04 -1.07 -2.58 117.51 117.31 1rli h ILE 91 Ca -0.01 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1rli h ILE 91 Cb 0.46 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1rli h ILE 91 CO 0.01 0.35 0.48 0.44 0.00 0.00 0.00 178.15 179.43 1rli h ASP 92 N 0.69 0.81 0.44 1.72 3.32 -1.09 -0.69 116.42 121.62 1rli h ASP 92 Ca 0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1rli h ASP 92 Cb 0.46 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1rli h ASP 92 CO 0.02 0.58 0.00 -1.14 -1.72 0.00 0.00 179.24 176.99 1rli n ARG 93 N -4.43 0.17 0.28 3.56 0.63 -0.94 -1.81 116.66 114.11 1rli n ARG 93 Ca 0.08 0.50 0.16 0.00 -0.92 0.00 0.00 57.85 57.67 1rli n ARG 93 Cb 0.05 -1.89 0.93 0.00 0.45 0.00 0.00 32.46 32.00 1rli n ARG 93 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1rli h TRP 94 N 0.00 0.00 -0.60 -0.14 4.06 -1.11 0.16 115.95 118.32 1rli h TRP 94 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1rli h TRP 94 Cb 0.22 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 1rli h TRP 94 CO 0.00 0.00 0.24 0.77 -3.56 0.00 0.00 178.44 175.89 1rli h SER 95 N 0.00 0.78 -0.21 -3.49 0.02 -1.53 0.16 113.55 109.28 1rli h SER 95 Ca 0.02 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.67 1rli h SER 95 Cb 0.12 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.46 1rli h SER 95 CO -0.00 0.70 -0.64 1.56 -1.14 0.00 0.00 176.83 177.31 1rli h GLN 96 N 0.85 0.82 -0.18 3.45 1.08 -0.90 -3.19 115.11 117.03 1rli h GLN 96 Ca 0.20 -0.59 -0.07 0.00 -1.45 0.00 0.00 58.65 56.74 1rli h GLN 96 Cb 0.16 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1rli h GLN 96 CO -0.02 1.21 -0.21 1.15 -0.95 0.00 0.00 178.83 180.01 1rli h THR 97 N 0.57 1.23 0.00 -0.54 2.02 -0.80 -1.56 112.91 113.83 1rli h THR 97 Ca -0.02 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1rli h THR 97 Cb 1.27 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1rli h THR 97 CO 0.14 0.33 0.00 0.18 0.37 0.00 0.00 175.52 176.54 1rli n LEU 98 N -4.18 0.46 0.00 2.58 4.77 0.51 -1.80 117.00 119.34 1rli n LEU 98 Ca -0.01 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1rli n LEU 98 Cb 0.35 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1rli n LEU 98 CO 0.40 -0.68 0.45 0.54 -1.33 0.00 0.00 177.39 176.77 1rli n ARG 99 N -2.06 2.43 -2.85 3.23 1.74 -0.71 -4.99 116.66 113.45 1rli n ARG 99 Ca 0.01 -1.32 -0.42 0.00 -0.77 0.00 0.00 57.85 55.34 1rli n ARG 99 Cb 0.11 -0.93 -0.04 0.00 -1.02 0.00 0.00 32.46 30.58 1rli n ARG 99 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rli s ASP 100 N -0.82 6.67 0.60 0.55 -1.08 -0.67 -4.94 116.67 116.98 1rli s ASP 100 Ca 0.00 0.58 0.40 0.00 -0.52 0.00 0.00 52.55 53.01 1rli s ASP 100 Cb 0.00 -2.44 2.14 0.00 -1.46 0.00 0.00 42.92 41.16 1rli s ASP 100 CO 0.00 -0.79 2.23 1.55 0.52 0.00 0.00 175.17 178.68 1rli h PRO 101 N 8.39 0.00 0.00 4.34 0.13 -1.91 -1.11 132.00 141.84 1rli h PRO 101 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1rli h PRO 101 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rli h PRO 101 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 1rli h ARG 102 N 0.00 0.00 -2.10 0.86 3.08 -1.95 -3.27 114.38 111.00 1rli h ARG 102 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1rli h ARG 102 Cb 0.06 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.69 1rli h ARG 102 CO 0.00 0.00 -0.85 1.19 -1.07 0.00 0.00 179.97 179.24 1rli n PHE 103 N -2.74 2.67 0.28 3.04 3.72 -0.42 -4.95 117.46 119.06 1rli n PHE 103 Ca 0.03 -3.84 0.18 0.00 -0.05 0.00 0.00 57.45 53.77 1rli n PHE 103 Cb 0.38 -0.44 0.92 0.00 -0.94 0.00 0.00 39.48 39.40 1rli n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1rli h PRO 104 N 2.96 0.00 -0.19 -1.08 0.13 -1.62 -2.44 132.00 129.76 1rli h PRO 104 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1rli h PRO 104 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1rli h PRO 104 CO 0.71 0.00 -0.00 -0.25 -0.23 0.00 0.00 178.00 178.22 1rli n ASP 105 N -3.27 3.40 -0.07 1.44 8.00 -1.26 -4.78 116.55 120.01 1rli n ASP 105 Ca -0.00 -3.07 -0.09 0.00 0.71 0.00 0.00 54.79 52.34 1rli n ASP 105 Cb 0.30 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 1rli n ASP 105 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1rli h PHE 106 N 1.27 -0.90 -0.15 1.24 3.57 -1.77 0.14 116.94 120.33 1rli h PHE 106 Ca 0.01 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1rli h PHE 106 Cb 1.33 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 1rli h PHE 106 CO 0.38 -0.39 0.08 -0.22 -2.23 0.00 0.00 178.31 175.93 1rli h LYS 107 N -0.31 0.16 -0.59 1.11 3.64 -1.86 -0.90 116.57 117.82 1rli h LYS 107 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1rli h LYS 107 Cb 0.54 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1rli h LYS 107 CO -0.46 0.11 0.38 0.37 -2.27 0.00 0.00 179.45 177.58 1rli h GLN 108 N 0.17 0.78 -0.64 1.90 5.75 -1.81 -1.34 115.11 119.91 1rli h GLN 108 Ca 0.06 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1rli h GLN 108 Cb 0.01 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 1rli h GLN 108 CO -0.04 0.53 0.37 1.96 -2.65 0.00 0.00 178.83 178.99 1rli h GLN 109 N 0.80 0.88 -0.54 1.69 4.20 -0.44 -2.93 115.11 118.76 1rli h GLN 109 Ca 0.22 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1rli h GLN 109 Cb -0.08 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 1rli h GLN 109 CO -0.05 0.65 -0.07 0.52 -0.67 0.00 0.00 178.83 179.21 1rli h MET 110 N 0.87 0.99 -0.37 1.46 2.86 -0.84 -3.18 114.93 116.72 1rli h MET 110 Ca 0.23 -0.34 0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1rli h MET 110 Cb 0.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1rli h MET 110 CO -0.04 1.01 0.33 0.66 1.06 0.00 0.00 176.91 179.93 1rli h SER 111 N 0.89 0.00 -0.21 1.22 4.64 -1.06 -0.06 113.55 118.97 1rli h SER 111 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1rli h SER 111 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1rli h SER 111 CO 0.04 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.33 1rli n VAL 112 N -4.01 0.27 -3.32 0.95 0.24 -1.20 -4.13 118.33 107.15 1rli n VAL 112 Ca 0.06 -0.40 -0.28 0.00 -2.04 0.00 0.00 64.34 61.68 1rli n VAL 112 Cb 0.50 0.41 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 1rli n VAL 112 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1rli s LYS 113 N -1.73 3.60 -0.20 7.34 1.02 -0.04 -5.00 119.74 124.74 1rli s LYS 113 Ca 0.32 -0.04 -0.09 0.00 0.02 0.00 0.00 55.97 56.18 1rli s LYS 113 Cb 0.17 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1rli s LYS 113 CO 0.25 0.19 0.10 -0.65 -0.92 0.00 0.00 175.35 174.32 1rli s GLN 114 N -3.72 4.05 -0.00 1.68 -0.21 -0.36 -3.05 119.66 118.05 1rli s GLN 114 Ca 0.43 -0.29 0.03 0.00 0.02 0.00 0.00 55.36 55.55 1rli s GLN 114 Cb -0.10 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.53 1rli s GLN 114 CO 0.32 0.22 -0.07 0.00 -2.12 0.00 0.00 175.29 173.65 1rli s ALA 115 N 0.54 3.02 0.08 6.09 0.00 0.21 -1.18 121.76 130.53 1rli s ALA 115 Ca 0.06 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1rli s ALA 115 Cb -0.12 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1rli s ALA 115 CO 0.00 0.61 -0.08 0.71 0.00 0.00 0.00 175.76 177.00 1rli s TYR 116 N -0.98 0.89 -0.03 0.00 2.02 -0.44 -0.51 117.35 118.31 1rli s TYR 116 Ca 0.17 -0.69 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 1rli s TYR 116 Cb -0.11 -0.51 -0.00 0.00 -0.40 0.00 0.00 41.96 40.94 1rli s TYR 116 CO 0.07 -0.07 -0.12 0.08 -1.57 0.00 0.00 175.55 173.93 1rli s VAL 117 N -2.48 1.03 -0.13 0.71 1.01 -0.78 -0.70 120.40 119.05 1rli s VAL 117 Ca 0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1rli s VAL 117 Cb -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1rli s VAL 117 CO -0.01 0.31 -0.11 -0.63 0.00 0.00 0.00 175.10 174.66 1rli s ILE 118 N 0.07 1.30 -0.03 2.22 1.01 0.04 -0.87 121.20 124.93 1rli s ILE 118 Ca -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1rli s ILE 118 Cb -0.09 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.13 1rli s ILE 118 CO 0.01 0.39 -0.02 0.00 0.00 0.00 0.00 174.94 175.32 1rli s ALA 119 N 1.60 0.46 -0.02 9.38 0.00 -0.34 -0.79 121.76 132.04 1rli s ALA 119 Ca 0.05 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.11 1rli s ALA 119 Cb -0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1rli s ALA 119 CO -0.09 -0.03 -0.16 0.08 0.00 0.00 0.00 175.76 175.56 1rli s VAL 120 N 0.86 1.32 0.29 0.00 1.01 -0.97 -0.63 120.40 122.28 1rli s VAL 120 Ca -0.10 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1rli s VAL 120 Cb -0.13 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1rli s VAL 120 CO -0.01 0.38 0.65 -0.83 0.00 0.00 0.00 175.10 175.29 1rli s GLY 121 N -0.19 0.27 -0.02 4.51 0.00 -0.92 -0.16 107.32 110.81 1rli s GLY 121 Ca 0.02 -0.63 0.15 0.00 0.00 0.00 0.00 44.72 44.27 1rli s GLY 121 CO 0.00 -0.34 1.39 0.61 0.00 0.00 0.00 173.10 174.77 1rli n GLY 122 N -0.46 2.77 2.89 0.20 0.00 -0.95 -0.84 105.19 108.81 1rli n GLY 122 Ca -0.04 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1rli n GLY 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rli s ASP 123 N -1.05 4.75 -1.15 1.61 2.15 -1.26 -4.81 116.67 116.90 1rli s ASP 123 Ca 0.35 -3.83 -0.13 0.00 0.43 0.00 0.00 52.55 49.37 1rli s ASP 123 Cb 0.20 -1.61 0.02 0.00 -0.30 0.00 0.00 42.92 41.22 1rli s ASP 123 CO 0.22 -0.09 0.24 -3.20 -0.17 0.00 0.00 175.17 172.17 1rli n ASN 124 N 2.00 -1.00 -0.09 -0.34 5.15 -1.26 -4.61 115.26 115.11 1rli n ASN 124 Ca 0.20 -1.06 0.13 0.00 -0.60 0.00 0.00 54.58 53.24 1rli n ASN 124 Cb 0.35 -1.29 0.51 0.00 -0.53 0.00 0.00 39.78 38.81 1rli n ASN 124 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1rli h PRO 125 N -1.43 0.39 0.00 1.20 0.13 -1.87 0.11 132.00 130.53 1rli h PRO 125 Ca -0.56 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.53 1rli h PRO 125 Cb 1.15 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1rli h PRO 125 CO 0.51 0.26 -0.09 0.87 -0.23 0.00 0.00 178.00 179.32 1rli h LYS 126 N 0.40 0.00 0.00 0.86 1.57 -1.88 0.55 116.57 118.07 1rli h LYS 126 Ca 0.29 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.76 1rli h LYS 126 Cb 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1rli h LYS 126 CO -0.08 0.09 -1.98 -0.89 -0.57 0.00 0.00 179.45 176.01 1rli n ILE 127 N -3.64 1.26 0.71 1.86 2.08 -0.83 -4.58 119.36 116.21 1rli n ILE 127 Ca -0.02 -0.22 0.10 0.00 0.56 0.00 0.00 62.75 63.17 1rli n ILE 127 Cb 0.20 -1.87 0.44 0.00 -0.75 0.00 0.00 39.64 37.66 1rli n ILE 127 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1rli n LYS 128 N -4.04 0.00 -0.12 0.38 5.02 0.32 -2.66 118.16 117.07 1rli n LYS 128 Ca -0.38 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.17 1rli n LYS 128 Cb 0.74 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 34.55 1rli n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rli n GLY 129 N 0.64 0.85 0.32 0.72 0.00 0.18 -4.38 105.19 103.52 1rli n GLY 129 Ca 0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 1rli n GLY 129 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rli h LEU 130 N 3.16 0.93 -1.25 0.99 3.38 -1.69 -2.19 115.31 118.63 1rli h LEU 130 Ca 0.00 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1rli h LEU 130 Cb 0.69 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1rli h LEU 130 CO 0.00 0.88 0.51 -0.65 0.09 0.00 0.00 178.44 179.28 1rli h PRO 131 N 0.95 0.99 -0.85 1.13 0.11 -1.84 -1.02 132.00 131.47 1rli h PRO 131 Ca 0.21 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 1rli h PRO 131 Cb 0.31 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 1rli h PRO 131 CO -0.00 0.66 0.40 1.25 -0.21 0.00 0.00 178.00 180.09 1rli h LEU 132 N 1.02 1.12 -0.87 2.35 5.85 -1.61 0.06 115.31 123.23 1rli h LEU 132 Ca 0.29 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1rli h LEU 132 Cb -0.07 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 1rli h LEU 132 CO -0.07 0.95 0.10 0.40 -0.34 0.00 0.00 178.44 179.48 1rli h ILE 133 N 1.21 1.25 -0.41 4.05 1.08 -0.81 -1.40 117.51 122.47 1rli h ILE 133 Ca 0.29 -0.95 -0.09 0.00 -0.39 0.00 0.00 64.86 63.72 1rli h ILE 133 Cb 0.13 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1rli h ILE 133 CO -0.03 0.35 -0.11 1.56 -0.69 0.00 0.00 178.15 179.22 1rli h GLN 134 N 0.89 0.74 -0.43 2.37 4.20 -0.54 -0.42 115.11 121.92 1rli h GLN 134 Ca 0.18 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1rli h GLN 134 Cb 0.38 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1rli h GLN 134 CO 0.01 0.82 0.14 1.96 -0.67 0.00 0.00 178.83 181.09 1rli h GLN 135 N 0.67 0.66 -0.89 1.46 4.20 -0.55 -1.48 115.11 119.17 1rli h GLN 135 Ca 0.11 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1rli h GLN 135 Cb 0.58 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1rli h GLN 135 CO 0.04 0.63 0.57 0.74 -0.67 0.00 0.00 178.83 180.14 1rli h PHE 136 N 0.55 1.14 -0.85 2.96 0.04 -0.89 0.95 116.94 120.84 1rli h PHE 136 Ca 0.14 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.95 1rli h PHE 136 Cb 0.24 -0.38 -0.05 0.00 2.20 0.00 0.00 35.95 37.96 1rli h PHE 136 CO 0.01 0.74 0.55 1.49 -0.60 0.00 0.00 178.31 180.50 1rli h GLU 137 N 1.22 1.05 -0.42 1.51 4.22 -0.71 0.16 114.58 121.61 1rli h GLU 137 Ca 0.32 -0.06 -0.15 0.00 0.08 0.00 0.00 59.36 59.55 1rli h GLU 137 Cb -0.10 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 1rli h GLU 137 CO -0.07 0.69 -0.31 0.45 -2.18 0.00 0.00 179.01 177.59 1rli h HIS 138 N 1.08 1.12 0.11 0.92 3.86 -0.21 -0.23 115.15 121.80 1rli h HIS 138 Ca 0.34 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1rli h HIS 138 Cb -0.01 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1rli h HIS 138 CO -0.02 1.14 -0.05 0.82 0.86 0.00 0.00 177.93 180.67 1rli h ILE 139 N 0.78 0.90 -0.60 2.45 2.04 -0.27 -0.56 117.51 122.25 1rli h ILE 139 Ca 0.08 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1rli h ILE 139 Cb 0.90 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1rli h ILE 139 CO 0.08 0.01 0.14 -0.26 0.00 0.00 0.00 178.15 178.12 1rli h PHE 140 N -0.16 1.01 -0.79 1.37 0.04 -0.65 -2.59 116.94 115.18 1rli h PHE 140 Ca -0.02 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1rli h PHE 140 Cb 0.12 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 1rli h PHE 140 CO -0.07 0.86 0.43 1.25 -0.60 0.00 0.00 178.31 180.18 1rli h HIS 141 N 0.87 1.08 -0.53 -0.55 2.76 -0.90 0.11 115.15 118.00 1rli h HIS 141 Ca 0.19 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1rli h HIS 141 Cb 0.36 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 1rli h HIS 141 CO 0.03 0.75 0.20 0.35 -1.30 0.00 0.00 177.93 177.96 1rli h PHE 142 N 1.10 0.77 -0.00 5.26 3.57 -0.79 -1.99 116.94 124.86 1rli h PHE 142 Ca 0.28 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1rli h PHE 142 Cb 0.03 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1rli h PHE 142 CO 0.01 0.61 -0.22 -1.33 -2.23 0.00 0.00 178.31 175.14 1rli n MET 143 N -4.33 0.27 -0.97 1.11 2.81 -0.72 -4.92 117.12 110.37 1rli n MET 143 Ca 0.04 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1rli n MET 143 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1rli n MET 143 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rli n GLY 144 N 1.42 0.51 3.77 3.03 0.00 -0.19 -3.53 105.19 110.19 1rli n GLY 144 Ca 0.09 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1rli n GLY 144 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rli s MET 145 N -0.20 4.65 -0.16 1.61 -1.94 0.22 -4.66 119.30 118.82 1rli s MET 145 Ca 0.00 1.25 -0.29 0.00 -1.71 0.00 0.00 55.69 54.93 1rli s MET 145 Cb 0.00 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 1rli s MET 145 CO 0.00 0.56 1.18 0.45 -0.01 0.00 0.00 175.02 177.20 1rli s SER 146 N -1.16 7.02 -0.86 3.03 0.15 -1.17 -4.16 113.70 116.55 1rli s SER 146 Ca 0.37 1.62 -0.20 0.00 0.70 0.00 0.00 55.95 58.45 1rli s SER 146 Cb -0.24 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.64 1rli s SER 146 CO 0.28 -0.69 1.08 0.12 1.20 0.00 0.00 173.24 175.23 1rli s PHE 147 N 3.12 3.02 -0.11 3.44 5.36 -1.26 -0.62 117.98 130.92 1rli s PHE 147 Ca 0.52 -1.20 0.24 0.00 -0.96 0.00 0.00 56.93 55.53 1rli s PHE 147 Cb -0.20 -4.28 0.67 0.00 -0.34 0.00 0.00 43.02 38.86 1rli s PHE 147 CO 0.14 -1.52 1.72 0.87 -1.46 0.00 0.00 175.22 174.97 1rli h LYS 148 N 9.01 0.00 0.00 10.12 1.79 -1.17 -3.48 116.57 132.84 1rli h LYS 148 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1rli h LYS 148 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1rli h LYS 148 CO 1.13 0.16 0.00 0.41 -1.08 0.00 0.00 179.45 180.07 1rli n GLY 149 N 0.64 1.61 3.27 3.86 0.00 -1.24 -5.04 105.19 108.29 1rli n GLY 149 Ca 0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1rli n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rli s TYR 150 N -2.00 -0.08 -0.04 1.61 -0.85 -1.26 -1.87 117.35 112.86 1rli s TYR 150 Ca 0.00 -0.28 -0.00 0.00 -0.52 0.00 0.00 57.07 56.27 1rli s TYR 150 Cb 0.00 0.14 0.03 0.00 0.38 0.00 0.00 41.96 42.51 1rli s TYR 150 CO 0.00 -0.64 0.01 0.08 -1.52 0.00 0.00 175.55 173.48 1rli s VAL 151 N -3.78 0.13 -0.21 -3.49 1.01 -0.05 -4.95 120.40 109.06 1rli s VAL 151 Ca 0.03 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1rli s VAL 151 Cb 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1rli s VAL 151 CO -0.11 0.16 0.03 -0.76 0.00 0.00 0.00 175.10 174.42 1rli s LEU 152 N 1.34 3.41 0.17 3.92 1.43 -1.26 -1.20 118.68 126.49 1rli s LEU 152 Ca -0.05 -0.15 0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1rli s LEU 152 Cb -0.13 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1rli s LEU 152 CO -0.02 0.06 -0.21 -0.83 0.23 0.00 0.00 176.35 175.57 1rli s GLY 153 N 1.02 1.69 -0.20 -3.19 0.00 0.20 -4.75 107.32 102.09 1rli s GLY 153 Ca 0.03 -1.55 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 1rli s GLY 153 CO 0.02 -1.56 0.10 -0.54 0.00 0.00 0.00 173.10 171.12 1rli s GLU 154 N -2.54 4.06 -0.30 2.90 2.02 -1.26 -2.16 118.70 121.43 1rli s GLU 154 Ca 0.20 -0.29 -0.15 0.00 0.02 0.00 0.00 54.97 54.75 1rli s GLU 154 Cb -0.09 -3.34 0.16 0.00 0.10 0.00 0.00 34.13 30.96 1rli s GLU 154 CO 0.10 0.24 0.97 0.20 0.02 0.00 0.00 175.26 176.79 1rli s GLY 155 N 0.49 -0.16 -0.26 -1.39 0.00 -0.02 -3.98 107.32 102.00 1rli s GLY 155 Ca 0.06 3.05 -0.13 0.00 0.00 0.00 0.00 44.72 47.69 1rli s GLY 155 CO -0.00 3.04 -0.24 -2.01 0.00 0.00 0.00 173.10 173.89 1rli n ASN 156 N 4.61 1.95 -4.50 1.64 5.15 -1.26 -2.24 115.26 120.61 1rli n ASN 156 Ca -0.12 0.30 -0.24 0.00 -0.60 0.00 0.00 54.58 53.92 1rli n ASN 156 Cb 0.54 -0.80 -0.10 0.00 -0.53 0.00 0.00 39.78 38.89 1rli n ASN 156 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1rli s ARG 157 N -2.49 1.78 0.22 1.20 1.81 -1.26 -4.88 118.95 115.32 1rli s ARG 157 Ca -0.37 -1.72 -0.31 0.00 -1.72 0.00 0.00 55.73 51.62 1rli s ARG 157 Cb 0.13 -1.83 -0.15 0.00 -0.45 0.00 0.00 34.95 32.64 1rli s ARG 157 CO 0.52 0.33 1.04 -2.30 -0.68 0.00 0.00 175.30 174.22 1rli n PRO 158 N -0.67 1.10 0.00 3.54 -0.02 -1.26 -1.34 135.00 136.35 1rli n PRO 158 Ca -0.05 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1rli n PRO 158 Cb 0.60 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1rli n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rli n GLY 159 N 1.71 3.09 0.32 -1.23 0.00 -1.26 -4.88 105.19 102.95 1rli n GLY 159 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1rli n GLY 159 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rli h ASP 160 N 0.00 0.00 0.26 1.61 3.32 -1.56 -2.19 116.42 117.85 1rli h ASP 160 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1rli h ASP 160 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rli h ASP 160 CO 0.00 0.00 -0.05 -0.29 -1.72 0.00 0.00 179.24 177.18 1rli h ILE 161 N 0.00 0.37 0.00 0.35 6.09 -1.80 -1.75 117.51 120.78 1rli h ILE 161 Ca 0.10 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1rli h ILE 161 Cb 0.46 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.95 1rli h ILE 161 CO -0.00 0.05 0.00 0.18 -3.07 0.00 0.00 178.15 175.31 1rli n LEU 162 N -3.51 0.34 0.06 2.19 7.99 -0.82 -1.47 117.00 121.78 1rli n LEU 162 Ca -0.02 0.60 0.12 0.00 -0.01 0.00 0.00 56.01 56.70 1rli n LEU 162 Cb 0.17 -0.57 0.20 0.00 -0.11 0.00 0.00 43.42 43.11 1rli n LEU 162 CO 0.27 -0.48 0.41 0.54 -1.51 0.00 0.00 177.39 176.62 1rli n ARG 163 N -1.89 0.27 -2.74 3.23 5.12 -0.66 -4.54 116.66 115.45 1rli n ARG 163 Ca 0.02 0.10 -0.43 0.00 -1.93 0.00 0.00 57.85 55.60 1rli n ARG 163 Cb 0.16 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.77 1rli n ARG 163 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1rli n ASP 164 N -2.10 5.13 -0.02 0.55 -0.08 -0.54 -4.82 116.55 114.67 1rli n ASP 164 Ca 0.04 -3.00 0.02 0.00 -1.51 0.00 0.00 54.79 50.34 1rli n ASP 164 Cb 0.43 -1.57 0.37 0.00 2.34 0.00 0.00 41.12 42.69 1rli n ASP 164 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1rli h HIS 165 N 6.84 0.57 -0.39 -0.67 3.86 -1.82 -1.60 115.15 121.94 1rli h HIS 165 Ca 0.36 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 1rli h HIS 165 Cb 0.81 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 1rli h HIS 165 CO 1.18 0.41 0.18 0.37 0.86 0.00 0.00 177.93 180.93 1rli h GLN 166 N 0.59 0.56 -0.39 2.45 4.15 -1.97 -1.70 115.11 118.80 1rli h GLN 166 Ca 0.15 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 1rli h GLN 166 Cb 0.04 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1rli h GLN 166 CO -0.02 0.50 -0.24 0.00 -1.93 0.00 0.00 178.83 177.14 1rli h ALA 167 N 1.03 0.84 -0.71 3.38 0.00 -1.72 -1.49 119.26 120.59 1rli h ALA 167 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1rli h ALA 167 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1rli h ALA 167 CO -0.02 0.64 0.26 -0.07 0.00 0.00 0.00 179.25 180.07 1rli h LEU 168 N 0.69 0.99 -0.16 0.00 3.38 -1.15 0.05 115.31 119.11 1rli h LEU 168 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1rli h LEU 168 Cb 0.76 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1rli h LEU 168 CO 0.06 0.91 -0.02 -1.28 0.09 0.00 0.00 178.44 178.20 1rli h SER 169 N 1.02 0.29 -0.90 -0.43 0.87 -1.17 -0.40 113.55 112.83 1rli h SER 169 Ca 0.23 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1rli h SER 169 Cb 0.24 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1rli h SER 169 CO -0.02 0.56 0.56 0.00 -0.53 0.00 0.00 176.83 177.41 1rli h ALA 170 N 0.74 1.14 -0.41 6.23 0.00 -1.07 -1.90 119.26 123.99 1rli h ALA 170 Ca 0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1rli h ALA 170 Cb 0.42 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1rli h ALA 170 CO 0.01 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 1rli h ALA 171 N 1.31 0.69 -0.91 0.00 0.00 -0.90 -0.93 119.26 118.51 1rli h ALA 171 Ca 0.32 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1rli h ALA 171 Cb -0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 1rli h ALA 171 CO -0.06 0.67 0.56 1.03 0.00 0.00 0.00 179.25 181.45 1rli h SER 172 N 0.76 0.86 0.01 0.00 0.87 -0.37 -2.53 113.55 113.16 1rli h SER 172 Ca 0.08 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1rli h SER 172 Cb 0.87 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1rli h SER 172 CO 0.08 0.51 -0.11 0.54 -0.53 0.00 0.00 176.83 177.32 1rli n ARG 173 N -4.63 1.77 -0.27 2.24 5.12 -0.78 -4.61 116.66 115.50 1rli n ARG 173 Ca 0.15 -1.31 0.07 0.00 -1.93 0.00 0.00 57.85 54.82 1rli n ARG 173 Cb 0.24 -1.47 0.18 0.00 -1.16 0.00 0.00 32.46 30.25 1rli n ARG 173 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1rli h LEU 174 N 3.21 -0.32 -2.06 0.55 5.85 -0.71 -1.60 115.31 120.22 1rli h LEU 174 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1rli h LEU 174 Cb 0.75 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1rli h LEU 174 CO 0.00 -0.19 0.00 0.18 -0.34 0.00 0.00 178.44 178.09 1rli n LEU 175 N -5.34 3.15 -4.76 2.25 4.77 -1.26 -4.97 117.00 110.83 1rli n LEU 175 Ca 0.15 -1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 54.57 1rli n LEU 175 Cb 0.52 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1rli n LEU 175 CO 0.04 0.58 0.53 -0.54 -1.33 0.00 0.00 177.39 176.67 1rli s LYS 176 N -1.82 4.63 -0.02 3.23 -0.14 -0.60 -4.96 119.74 120.06 1rli s LYS 176 Ca 0.31 1.24 0.06 0.00 -1.36 0.00 0.00 55.97 56.22 1rli s LYS 176 Cb 0.21 -3.29 0.14 0.00 -1.68 0.00 0.00 37.83 33.21 1rli s LYS 176 CO 0.30 0.50 1.10 0.54 -0.76 0.00 0.00 175.35 177.03 1rli n ARG 177 N 1.82 2.76 -4.53 1.68 1.74 -1.26 -4.99 116.66 113.88 1rli n ARG 177 Ca -0.04 -1.84 -0.25 0.00 -0.77 0.00 0.00 57.85 54.95 1rli n ARG 177 Cb 0.49 -1.17 -0.09 0.00 -1.02 0.00 0.00 32.46 30.66 1rli n ARG 177 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1rli s SER 178 N -1.27 2.88 0.00 0.55 1.04 -1.26 -5.15 113.70 110.49 1rli s SER 178 Ca 0.12 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1rli s SER 178 Cb 0.08 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1rli s SER 178 CO 0.05 -0.76 0.00 0.47 0.98 0.00 0.00 173.24 173.98 1rli n ASP 179 N -1.03 0.00 0.00 7.02 8.00 -1.26 -5.14 116.55 124.14 1rli n ASP 179 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1rli n ASP 179 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1rli n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81