#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3g n ASN 3 N 0.00 0.99 -4.55 -3.46 2.04 -1.26 -2.60 115.26 106.42 1l3g n ASN 3 Ca 0.00 -1.58 -0.26 0.00 -0.44 0.00 0.00 54.58 52.30 1l3g n ASN 3 Cb 0.00 -0.06 -0.05 0.00 -2.53 0.00 0.00 39.78 37.14 1l3g n ASN 3 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1l3g s GLN 4 N -1.88 1.89 -0.41 -3.83 -1.52 -1.26 -4.34 119.66 108.30 1l3g s GLN 4 Ca 0.31 0.94 -0.01 0.00 -1.95 0.00 0.00 55.36 54.65 1l3g s GLN 4 Cb 0.16 -4.68 0.11 0.00 -0.22 0.00 0.00 33.01 28.38 1l3g s GLN 4 CO 0.25 -3.81 0.19 0.42 -0.25 0.00 0.00 175.29 172.09 1l3g s ILE 5 N 13.30 3.06 0.31 1.08 1.01 -1.26 -4.16 121.20 134.53 1l3g s ILE 5 Ca 0.94 -2.25 0.00 0.00 0.00 0.00 0.00 60.65 59.34 1l3g s ILE 5 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1l3g s ILE 5 CO 0.17 -0.69 0.50 -0.31 0.00 0.00 0.00 174.94 174.62 1l3g s TYR 6 N 0.93 3.49 -0.01 3.97 2.02 -1.09 -4.83 117.35 121.84 1l3g s TYR 6 Ca 0.10 0.34 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 1l3g s TYR 6 Cb -0.22 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1l3g s TYR 6 CO -0.05 0.20 -0.02 0.45 -1.57 0.00 0.00 175.55 174.56 1l3g s SER 7 N -3.82 4.96 0.08 2.29 0.15 -1.26 -2.16 113.70 113.94 1l3g s SER 7 Ca 0.39 -0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.89 1l3g s SER 7 Cb -0.10 -1.26 0.01 0.00 -1.71 0.00 0.00 66.02 62.96 1l3g s SER 7 CO 0.34 0.29 0.27 0.00 1.20 0.00 0.00 173.24 175.34 1l3g s ALA 8 N -1.02 -0.53 -0.12 5.45 0.00 -0.89 -1.72 121.76 122.93 1l3g s ALA 8 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 1l3g s ALA 8 Cb -0.11 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1l3g s ALA 8 CO 0.08 -0.49 -0.03 -0.98 0.00 0.00 0.00 175.76 174.35 1l3g s ARG 9 N -3.27 1.05 0.10 0.00 1.70 -1.26 0.46 118.95 117.72 1l3g s ARG 9 Ca 0.00 -0.17 -0.06 0.00 -0.47 0.00 0.00 55.73 55.03 1l3g s ARG 9 Cb 0.02 -1.48 -0.02 0.00 -0.57 0.00 0.00 34.95 32.90 1l3g s ARG 9 CO -0.08 -0.35 0.13 0.71 -1.08 0.00 0.00 175.30 174.63 1l3g s TYR 10 N 1.82 0.37 -1.48 5.89 2.02 -0.04 -4.86 117.35 121.07 1l3g s TYR 10 Ca 0.04 -0.82 -0.02 0.00 -0.37 0.00 0.00 57.07 55.90 1l3g s TYR 10 Cb -0.13 -0.20 0.01 0.00 -0.40 0.00 0.00 41.96 41.24 1l3g s TYR 10 CO -0.07 -0.53 0.17 0.45 -1.57 0.00 0.00 175.55 174.01 1l3g n SER 11 N -0.04 -5.18 0.00 2.29 2.88 -1.26 -0.07 113.62 112.23 1l3g n SER 11 Ca -0.12 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1l3g n SER 11 Cb 0.62 -4.30 0.00 0.00 -0.75 0.00 0.00 64.21 59.78 1l3g n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1l3g n GLY 12 N -1.08 1.36 3.12 0.46 0.00 -1.26 -4.94 105.19 102.86 1l3g n GLY 12 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1l3g n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l3g s VAL 13 N -2.45 1.37 0.52 1.61 1.01 0.90 -5.10 120.40 118.25 1l3g s VAL 13 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1l3g s VAL 13 Cb 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 1l3g s VAL 13 CO 0.00 0.40 0.95 -0.62 0.00 0.00 0.00 175.10 175.83 1l3g s ASP 14 N 0.06 6.48 0.32 3.32 -1.08 -1.26 -0.86 116.67 123.66 1l3g s ASP 14 Ca -0.04 1.43 0.01 0.00 -0.52 0.00 0.00 52.55 53.43 1l3g s ASP 14 Cb -0.11 -2.45 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1l3g s ASP 14 CO 0.02 -0.63 0.37 0.68 0.52 0.00 0.00 175.17 176.12 1l3g s VAL 15 N -2.74 0.00 -0.10 1.11 -7.23 0.17 -0.37 120.40 111.24 1l3g s VAL 15 Ca 0.56 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1l3g s VAL 15 Cb -0.10 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1l3g s VAL 15 CO 0.38 0.00 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.83 1l3g s TYR 16 N -3.32 3.05 -0.31 2.82 1.51 -1.22 -2.09 117.35 117.78 1l3g s TYR 16 Ca 0.35 -0.00 0.04 0.00 -1.01 0.00 0.00 57.07 56.45 1l3g s TYR 16 Cb 0.01 -1.82 0.09 0.00 -0.11 0.00 0.00 41.96 40.13 1l3g s TYR 16 CO 0.22 0.28 -0.01 -1.83 -1.11 0.00 0.00 175.55 173.10 1l3g s GLU 17 N -0.48 1.74 0.04 -0.62 -1.05 -0.92 -1.93 118.70 115.49 1l3g s GLU 17 Ca 0.08 -1.69 0.06 0.00 -0.15 0.00 0.00 54.97 53.27 1l3g s GLU 17 Cb -0.12 -3.09 -0.02 0.00 -0.44 0.00 0.00 34.13 30.46 1l3g s GLU 17 CO 0.02 -0.81 -0.17 0.12 0.95 0.00 0.00 175.26 175.37 1l3g s PHE 18 N 0.97 1.50 0.08 4.83 2.19 -0.42 -2.66 117.98 124.47 1l3g s PHE 18 Ca 0.04 -0.36 -0.30 0.00 0.33 0.00 0.00 56.93 56.64 1l3g s PHE 18 Cb -0.19 -0.89 -0.05 0.00 -1.31 0.00 0.00 43.02 40.58 1l3g s PHE 18 CO -0.07 0.06 0.98 0.42 1.83 0.00 0.00 175.22 178.45 1l3g s ILE 19 N -0.83 4.58 0.00 3.12 -1.09 -1.01 0.44 121.20 126.41 1l3g s ILE 19 Ca 0.04 2.03 0.00 0.00 -2.23 0.00 0.00 60.65 60.49 1l3g s ILE 19 Cb -0.08 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 1l3g s ILE 19 CO 0.02 0.26 0.00 1.41 -1.23 0.00 0.00 174.94 175.39 1l3g n HIS 20 N 3.16 0.00 -0.29 3.97 8.25 2.81 -4.09 115.22 129.03 1l3g n HIS 20 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 1l3g n HIS 20 Cb 0.50 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.67 1l3g n HIS 20 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1l3g h SER 21 N 0.00 1.10 -0.50 0.41 0.02 -1.89 -1.66 113.55 111.02 1l3g h SER 21 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1l3g h SER 21 Cb 0.00 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1l3g h SER 21 CO 0.00 0.97 0.00 0.41 -1.14 0.00 0.00 176.83 177.07 1l3g n THR 22 N -4.29 0.66 0.00 -2.27 -1.04 -1.26 -4.82 114.28 101.27 1l3g n THR 22 Ca 0.07 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1l3g n THR 22 Cb 0.18 0.52 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 1l3g n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1l3g n GLY 23 N 1.42 1.37 3.73 3.41 0.00 -0.63 -4.88 105.19 109.61 1l3g n GLY 23 Ca 0.19 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1l3g n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3g s SER 24 N -4.00 7.30 -0.14 1.61 0.01 -1.20 0.64 113.70 117.91 1l3g s SER 24 Ca 0.00 1.96 -0.00 0.00 1.31 0.00 0.00 55.95 59.22 1l3g s SER 24 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1l3g s SER 24 CO 0.00 -0.23 -0.13 -0.63 0.41 0.00 0.00 173.24 172.65 1l3g s ILE 25 N 0.19 2.97 0.41 1.44 1.09 1.55 -4.51 121.20 124.33 1l3g s ILE 25 Ca 0.51 -0.68 0.08 0.00 -1.10 0.00 0.00 60.65 59.45 1l3g s ILE 25 Cb -0.27 -2.25 0.00 0.00 -1.06 0.00 0.00 42.46 38.88 1l3g s ILE 25 CO 0.32 0.52 0.52 -0.32 -0.10 0.00 0.00 174.94 175.87 1l3g s MET 26 N 0.53 2.80 -0.04 2.79 1.75 -0.81 -1.30 119.30 125.02 1l3g s MET 26 Ca -0.09 -1.27 -0.15 0.00 -1.25 0.00 0.00 55.69 52.93 1l3g s MET 26 Cb -0.16 -2.69 0.03 0.00 2.84 0.00 0.00 34.83 34.85 1l3g s MET 26 CO 0.04 -0.21 0.34 0.15 -0.65 0.00 0.00 175.02 174.69 1l3g s LYS 27 N -4.28 0.65 -0.13 4.11 1.02 -1.10 -3.49 119.74 116.52 1l3g s LYS 27 Ca 0.52 -0.04 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 1l3g s LYS 27 Cb -0.09 0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1l3g s LYS 27 CO 0.32 -0.17 0.98 0.50 -0.92 0.00 0.00 175.35 176.06 1l3g s ARG 28 N -1.06 4.38 0.20 1.68 6.06 -1.10 -3.45 118.95 125.66 1l3g s ARG 28 Ca -0.11 1.33 -0.10 0.00 -2.50 0.00 0.00 55.73 54.35 1l3g s ARG 28 Cb -0.04 -3.56 0.14 0.00 0.06 0.00 0.00 34.95 31.55 1l3g s ARG 28 CO 0.04 -0.36 1.80 -0.22 -2.50 0.00 0.00 175.30 174.06 1l3g h LYS 29 N 7.18 1.06 -0.12 5.12 3.64 -1.01 6.12 116.57 138.56 1l3g h LYS 29 Ca -0.29 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1l3g h LYS 29 Cb 1.13 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 1l3g h LYS 29 CO 0.87 0.81 -0.46 0.87 -2.27 0.00 0.00 179.45 179.27 1l3g h LYS 30 N 1.04 -0.47 -0.12 1.90 1.79 -1.92 -3.11 116.57 115.68 1l3g h LYS 30 Ca 0.26 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1l3g h LYS 30 Cb 0.09 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1l3g h LYS 30 CO -0.04 -0.31 0.00 -3.47 -1.08 0.00 0.00 179.45 174.55 1l3g n ASP 31 N -4.98 2.84 -3.85 0.86 -0.08 -1.18 -5.00 116.55 105.16 1l3g n ASP 31 Ca -0.05 -2.77 -0.36 0.00 -1.51 0.00 0.00 54.79 50.10 1l3g n ASP 31 Cb 0.32 -0.37 0.03 0.00 2.34 0.00 0.00 41.12 43.43 1l3g n ASP 31 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1l3g n ASP 32 N -0.78 -4.85 -4.86 1.67 8.00 1.98 -3.66 116.55 114.05 1l3g n ASP 32 Ca 0.15 -1.10 -0.31 0.00 0.71 0.00 0.00 54.79 54.23 1l3g n ASP 32 Cb 0.63 -2.46 0.01 0.00 -0.02 0.00 0.00 41.12 39.28 1l3g n ASP 32 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1l3g s TRP 33 N -3.41 3.52 0.04 1.24 0.52 -0.99 -1.14 118.94 118.72 1l3g s TRP 33 Ca 0.41 1.34 0.09 0.00 0.02 0.00 0.00 56.10 57.95 1l3g s TRP 33 Cb -0.19 -2.76 -0.03 0.00 -1.15 0.00 0.00 33.47 29.34 1l3g s TRP 33 CO 0.91 -0.75 -0.26 0.54 0.02 0.00 0.00 176.95 177.42 1l3g s VAL 34 N -3.08 2.20 -0.55 4.03 0.11 3.08 -2.72 120.40 123.47 1l3g s VAL 34 Ca 0.56 -1.37 -0.26 0.00 -2.93 0.00 0.00 61.98 57.98 1l3g s VAL 34 Cb -0.11 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1l3g s VAL 34 CO 0.51 0.37 2.10 0.21 -3.33 0.00 0.00 175.10 174.95 1l3g s ASN 35 N -1.25 4.92 0.57 3.54 2.47 -1.23 1.05 114.94 125.02 1l3g s ASN 35 Ca 0.12 0.68 0.39 0.00 0.42 0.00 0.00 52.86 54.47 1l3g s ASN 35 Cb -0.10 -2.52 1.43 0.00 -1.45 0.00 0.00 41.25 38.62 1l3g s ASN 35 CO 0.02 -2.58 1.55 0.00 -3.72 0.00 0.00 177.10 172.37 1l3g h ALA 36 N 16.92 3.34 -0.23 1.71 0.00 3.47 0.57 119.26 145.04 1l3g h ALA 36 Ca -0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1l3g h ALA 36 Cb 1.21 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1l3g h ALA 36 CO 1.19 -1.94 0.14 1.15 0.00 0.00 0.00 179.25 179.79 1l3g h THR 37 N 0.00 1.08 0.00 0.00 2.02 -1.84 4.30 112.91 118.47 1l3g h THR 37 Ca 0.68 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.67 1l3g h THR 37 Cb 3.07 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 70.28 1l3g h THR 37 CO -0.01 0.08 -0.00 -0.74 0.37 0.00 0.00 175.52 175.22 1l3g h HIS 38 N 0.29 0.00 0.01 3.16 -0.00 -0.19 3.45 115.15 121.87 1l3g h HIS 38 Ca 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.20 1l3g h HIS 38 Cb 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 1l3g h HIS 38 CO -0.05 0.00 -1.38 -0.89 -0.00 0.00 0.00 177.93 175.61 1l3g n ILE 39 N -4.19 1.55 -0.09 6.26 -0.00 -0.23 -3.47 119.36 119.20 1l3g n ILE 39 Ca -0.03 -0.08 -0.22 0.00 -0.00 0.00 0.00 62.75 62.41 1l3g n ILE 39 Cb 0.09 -2.01 -0.12 0.00 -0.00 0.00 0.00 39.64 37.59 1l3g n ILE 39 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1l3g n LEU 40 N -4.36 2.00 0.26 1.39 7.99 1.40 -3.92 117.00 121.75 1l3g n LEU 40 Ca -0.33 0.38 0.12 0.00 -0.01 0.00 0.00 56.01 56.17 1l3g n LEU 40 Cb 0.72 -0.98 0.70 0.00 -0.11 0.00 0.00 43.42 43.74 1l3g n LEU 40 CO 0.19 0.39 0.96 0.50 -1.51 0.00 0.00 177.39 177.92 1l3g h LYS 41 N -0.83 0.00 0.00 3.23 3.11 0.59 0.22 116.57 122.90 1l3g h LYS 41 Ca -0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 1l3g h LYS 41 Cb 1.44 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.67 1l3g h LYS 41 CO -0.18 0.13 0.00 0.00 -2.81 0.00 0.00 179.45 176.59 1l3g h ALA 42 N 1.87 1.00 0.00 5.00 0.00 0.11 0.27 119.26 127.52 1l3g h ALA 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1l3g h ALA 42 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1l3g h ALA 42 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1l3g n ALA 43 N -2.02 2.12 -0.69 0.00 0.00 -0.54 -4.71 120.51 114.66 1l3g n ALA 43 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1l3g n ALA 43 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1l3g n ALA 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1l3g n ASN 44 N -0.39 0.47 -1.44 0.00 2.04 0.67 -5.10 115.26 111.51 1l3g n ASN 44 Ca 0.00 -1.16 0.13 0.00 -0.44 0.00 0.00 54.58 53.11 1l3g n ASN 44 Cb 0.01 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.19 1l3g n ASN 44 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 1l3g n PHE 45 N -0.08 -3.77 -3.02 -2.53 3.72 0.95 -4.54 117.46 108.20 1l3g n PHE 45 Ca 0.00 2.08 -0.44 0.00 -0.05 0.00 0.00 57.45 59.03 1l3g n PHE 45 Cb 0.30 -3.37 -0.03 0.00 -0.94 0.00 0.00 39.48 35.44 1l3g n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1l3g s ALA 46 N -4.60 3.48 0.00 4.37 0.00 -1.26 -4.14 121.76 119.61 1l3g s ALA 46 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.26 1l3g s ALA 46 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1l3g s ALA 46 CO 0.00 -2.73 0.00 1.63 0.00 0.00 0.00 175.76 174.66 1l3g n LYS 47 N 6.15 0.44 0.06 0.00 5.02 -1.26 -4.87 118.16 123.69 1l3g n LYS 47 Ca 0.14 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.64 1l3g n LYS 47 Cb 0.47 0.00 0.72 0.00 -0.02 0.00 0.00 35.03 36.20 1l3g n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l3g h ALA 48 N 1.00 2.21 0.04 7.82 0.00 -1.97 0.34 119.26 128.70 1l3g h ALA 48 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1l3g h ALA 48 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1l3g h ALA 48 CO 0.00 -0.77 -0.02 0.87 0.00 0.00 0.00 179.25 179.33 1l3g h LYS 49 N 0.00 -0.05 0.00 0.00 1.79 -1.92 -2.80 116.57 113.59 1l3g h LYS 49 Ca 0.23 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1l3g h LYS 49 Cb 1.27 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1l3g h LYS 49 CO -0.00 0.35 -0.03 -0.09 -1.08 0.00 0.00 179.45 178.60 1l3g h ARG 50 N -0.47 0.00 -0.40 3.15 9.65 -0.53 0.74 114.38 126.51 1l3g h ARG 50 Ca -0.01 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 1l3g h ARG 50 Cb 0.43 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1l3g h ARG 50 CO 0.01 0.03 -0.22 0.00 2.80 0.00 0.00 179.97 182.59 1l3g h THR 51 N 0.00 1.27 0.00 0.20 1.03 -0.99 -1.33 112.91 113.10 1l3g h THR 51 Ca -0.00 -1.34 0.00 0.00 -0.01 0.00 0.00 66.41 65.06 1l3g h THR 51 Cb 0.08 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1l3g h THR 51 CO 0.00 0.45 -0.49 0.54 -0.01 0.00 0.00 175.52 176.02 1l3g n ARG 52 N -4.11 0.33 -0.31 0.00 1.74 -0.43 -2.97 116.66 110.91 1l3g n ARG 52 Ca 0.00 0.31 0.15 0.00 -0.77 0.00 0.00 57.85 57.54 1l3g n ARG 52 Cb 0.44 -1.28 0.33 0.00 -1.02 0.00 0.00 32.46 30.93 1l3g n ARG 52 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1l3g h ILE 53 N -0.68 0.36 0.52 0.55 1.08 0.28 1.67 117.51 121.30 1l3g h ILE 53 Ca 0.00 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1l3g h ILE 53 Cb 0.49 0.05 0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1l3g h ILE 53 CO 0.00 0.05 -0.25 0.25 -0.69 0.00 0.00 178.15 177.51 1l3g h LEU 54 N 0.29 -0.59 -0.71 1.44 5.85 -1.33 0.70 115.31 120.96 1l3g h LEU 54 Ca 0.59 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.36 1l3g h LEU 54 Cb 1.20 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 1l3g h LEU 54 CO -0.61 -0.19 0.34 -0.08 -0.34 0.00 0.00 178.44 177.56 1l3g h GLU 55 N -1.09 0.56 -0.07 1.25 4.81 -1.07 3.17 114.58 122.13 1l3g h GLU 55 Ca -0.07 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 1l3g h GLU 55 Cb 0.60 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1l3g h GLU 55 CO 0.12 0.37 -0.61 0.87 -0.73 0.00 0.00 179.01 179.03 1l3g h LYS 56 N 0.58 0.26 0.14 1.92 1.79 0.24 1.45 116.57 122.94 1l3g h LYS 56 Ca 0.35 -0.18 -0.23 0.00 -2.18 0.00 0.00 60.65 58.41 1l3g h LYS 56 Cb 0.39 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1l3g h LYS 56 CO -0.28 0.79 -1.10 1.49 -1.08 0.00 0.00 179.45 179.26 1l3g h GLU 57 N 0.19 0.29 0.03 3.15 4.57 0.20 -3.35 114.58 119.66 1l3g h GLU 57 Ca -0.01 -0.49 -0.22 0.00 -1.18 0.00 0.00 59.36 57.46 1l3g h GLU 57 Cb 1.12 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 1l3g h GLU 57 CO 0.10 1.23 -1.19 -0.24 -1.18 0.00 0.00 179.01 177.73 1l3g h VAL 58 N -0.32 1.01 -0.80 0.32 3.04 0.57 -2.56 116.25 117.51 1l3g h VAL 58 Ca -0.22 -2.25 0.24 0.00 -1.01 0.00 0.00 66.70 63.47 1l3g h VAL 58 Cb 1.72 2.46 -0.15 0.00 -2.01 0.00 0.00 31.29 33.31 1l3g h VAL 58 CO 0.12 0.46 0.08 -0.11 -1.01 0.00 0.00 177.57 177.11 1l3g n LEU 59 N -4.30 -0.03 0.05 3.16 0.00 0.49 0.23 117.00 116.60 1l3g n LEU 59 Ca -0.28 1.35 0.03 0.00 0.00 0.00 0.00 56.01 57.10 1l3g n LEU 59 Cb 0.72 -0.52 -0.06 0.00 0.00 0.00 0.00 43.42 43.56 1l3g n LEU 59 CO 0.26 -1.39 -0.23 1.17 0.00 0.00 0.00 177.39 177.20 1l3g n LYS 60 N -5.08 0.62 -3.39 1.96 4.81 -1.24 -4.49 118.16 111.34 1l3g n LYS 60 Ca 0.21 0.20 -0.45 0.00 -0.87 0.00 0.00 58.31 57.40 1l3g n LYS 60 Cb 0.68 -1.81 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 1l3g n LYS 60 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1l3g s GLU 61 N -3.02 3.53 0.00 1.64 2.12 0.61 -4.83 118.70 118.75 1l3g s GLU 61 Ca -0.02 -2.59 0.00 0.00 0.36 0.00 0.00 54.97 52.72 1l3g s GLU 61 Cb 0.09 -4.34 0.00 0.00 0.26 0.00 0.00 34.13 30.14 1l3g s GLU 61 CO 0.81 -1.27 0.00 0.25 -0.54 0.00 0.00 175.26 174.51 1l3g n THR 62 N 3.70 0.00 -3.47 -1.70 -2.24 -1.21 -4.53 114.28 104.82 1l3g n THR 62 Ca 0.15 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.52 1l3g n THR 62 Cb 0.45 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1l3g n THR 62 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1l3g s HIS 63 N -2.15 3.22 -0.15 4.78 -3.43 -0.72 -3.97 115.29 112.88 1l3g s HIS 63 Ca 0.00 -0.10 -0.01 0.00 -0.80 0.00 0.00 55.06 54.15 1l3g s HIS 63 Cb 0.00 -2.56 -0.02 0.00 -1.43 0.00 0.00 32.58 28.57 1l3g s HIS 63 CO 0.00 -0.38 -0.10 -1.21 -2.00 0.00 0.00 174.74 171.05 1l3g s GLU 64 N 1.87 3.45 -0.22 -0.38 8.01 -1.12 -4.77 118.70 125.54 1l3g s GLU 64 Ca 0.09 -0.64 -0.17 0.00 0.01 0.00 0.00 54.97 54.26 1l3g s GLU 64 Cb -0.17 -2.74 -0.04 0.00 -4.31 0.00 0.00 34.13 26.88 1l3g s GLU 64 CO 0.11 0.17 0.43 0.15 0.01 0.00 0.00 175.26 176.13 1l3g s LYS 65 N 0.49 4.14 -0.20 1.61 -0.14 -1.19 -3.18 119.74 121.27 1l3g s LYS 65 Ca -0.07 0.24 -0.21 0.00 -1.36 0.00 0.00 55.97 54.57 1l3g s LYS 65 Cb -0.15 -3.57 -0.02 0.00 -1.68 0.00 0.00 37.83 32.40 1l3g s LYS 65 CO 0.04 -0.13 0.63 0.14 -0.76 0.00 0.00 175.35 175.26 1l3g s VAL 66 N 1.60 5.02 0.03 3.17 -7.23 -0.38 -4.99 120.40 117.61 1l3g s VAL 66 Ca 0.20 1.18 -0.04 0.00 -1.81 0.00 0.00 61.98 61.50 1l3g s VAL 66 Cb -0.15 -3.94 -0.01 0.00 0.56 0.00 0.00 36.38 32.83 1l3g s VAL 66 CO 0.09 0.11 0.06 -1.10 -0.31 0.00 0.00 175.10 173.95 1l3g s GLN 67 N 1.94 0.51 0.00 4.82 -0.21 -1.24 -4.57 119.66 120.90 1l3g s GLN 67 Ca 0.28 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1l3g s GLN 67 Cb -0.16 0.20 0.00 0.00 1.00 0.00 0.00 33.01 34.05 1l3g s GLN 67 CO 0.10 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 1l3g n GLY 68 N 1.01 0.73 0.00 3.09 0.00 -1.26 -3.74 105.19 105.02 1l3g n GLY 68 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1l3g n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l3g n GLY 69 N -2.00 0.45 3.37 -0.02 0.00 -1.26 -5.05 105.19 100.69 1l3g n GLY 69 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1l3g n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l3g s PHE 70 N -2.00 3.26 0.00 1.61 0.08 -1.25 -4.27 117.98 115.42 1l3g s PHE 70 Ca 0.00 -1.01 0.00 0.00 0.12 0.00 0.00 56.93 56.04 1l3g s PHE 70 Cb 0.00 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 1l3g s PHE 70 CO 0.00 -0.74 0.00 0.41 -0.10 0.00 0.00 175.22 174.79 1l3g n GLY 71 N 5.08 0.45 0.00 4.36 0.00 -1.26 -3.68 105.19 110.14 1l3g n GLY 71 Ca -0.11 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.05 1l3g n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1l3g n LYS 72 N -2.23 0.30 0.05 1.61 0.00 -1.26 -1.61 118.16 115.01 1l3g n LYS 72 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 58.31 58.39 1l3g n LYS 72 Cb 0.17 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.62 1l3g n LYS 72 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1l3g h TYR 73 N 0.00 0.00 0.03 5.64 0.05 -1.90 -3.37 116.97 117.41 1l3g h TYR 73 Ca 0.00 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.43 1l3g h TYR 73 Cb 0.16 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.86 1l3g h TYR 73 CO 0.00 0.71 -1.97 0.00 -1.05 0.00 0.00 178.16 175.85 1l3g n GLN 74 N -3.05 0.63 0.00 4.88 -0.00 -0.82 -2.71 117.38 116.31 1l3g n GLN 74 Ca -0.07 0.35 0.00 0.00 -0.00 0.00 0.00 57.00 57.28 1l3g n GLN 74 Cb 0.88 -1.64 0.00 0.00 -0.00 0.00 0.00 30.24 29.48 1l3g n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1l3g n GLY 75 N 1.65 1.27 2.40 2.61 0.00 -0.63 -4.09 105.19 108.41 1l3g n GLY 75 Ca -0.40 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 1l3g n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l3g n THR 76 N 0.00 1.47 -1.61 2.61 -1.04 -1.22 -1.25 114.28 113.24 1l3g n THR 76 Ca 0.00 -4.90 -0.31 0.00 -2.04 0.00 0.00 64.05 56.80 1l3g n THR 76 Cb 0.00 -1.88 0.05 0.00 -1.82 0.00 0.00 70.33 66.68 1l3g n THR 76 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 1l3g s TRP 77 N -2.24 3.16 0.15 -1.42 -2.14 -1.18 0.84 118.94 116.11 1l3g s TRP 77 Ca 0.40 1.38 0.00 0.00 2.66 0.00 0.00 56.10 60.53 1l3g s TRP 77 Cb 0.18 -2.88 -0.04 0.00 -3.10 0.00 0.00 33.47 27.63 1l3g s TRP 77 CO -0.06 -1.21 0.03 0.14 -2.66 0.00 0.00 176.95 173.20 1l3g s VAL 78 N -3.08 0.33 -0.25 -0.66 -7.23 7.45 -2.77 120.40 114.20 1l3g s VAL 78 Ca 0.58 -1.93 -0.34 0.00 -1.81 0.00 0.00 61.98 58.47 1l3g s VAL 78 Cb -0.14 -2.06 -0.11 0.00 0.56 0.00 0.00 36.38 34.63 1l3g s VAL 78 CO 0.55 -0.48 2.08 -2.65 -0.31 0.00 0.00 175.10 174.29 1l3g n PRO 79 N -0.15 1.54 -0.30 4.82 -0.02 -1.26 0.67 135.00 140.30 1l3g n PRO 79 Ca -0.06 0.48 0.27 0.00 -2.02 0.00 0.00 63.50 62.17 1l3g n PRO 79 Cb 0.63 -2.62 0.61 0.00 -0.02 0.00 0.00 33.50 32.10 1l3g n PRO 79 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1l3g h LEU 80 N 11.60 0.25 -1.02 2.45 6.46 -1.20 3.58 115.31 137.43 1l3g h LEU 80 Ca -0.37 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.39 1l3g h LEU 80 Cb 1.29 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.20 1l3g h LEU 80 CO 0.99 0.05 0.16 0.78 -0.62 0.00 0.00 178.44 179.80 1l3g h ASN 81 N 0.23 0.81 0.03 1.25 4.21 -1.83 -1.84 115.58 118.43 1l3g h ASN 81 Ca 0.56 -0.14 -0.37 0.00 1.21 0.00 0.00 56.30 57.56 1l3g h ASN 81 Cb 1.74 -0.21 -0.07 0.00 -1.12 0.00 0.00 38.32 38.66 1l3g h ASN 81 CO -0.17 0.77 -2.35 2.30 -1.29 0.00 0.00 177.43 176.70 1l3g n ILE 82 N -4.28 1.41 0.41 2.81 -6.64 0.19 -4.09 119.36 109.16 1l3g n ILE 82 Ca 0.04 -0.84 -0.18 0.00 -1.77 0.00 0.00 62.75 60.00 1l3g n ILE 82 Cb 0.21 -0.54 -0.09 0.00 -1.44 0.00 0.00 39.64 37.78 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1l3g h ALA 83 N 0.95 -1.02 -0.37 -1.28 0.00 0.64 -1.44 119.26 116.75 1l3g h ALA 83 Ca -0.53 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.25 1l3g h ALA 83 Cb 2.22 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 20.39 1l3g h ALA 83 CO 0.03 -1.05 0.30 1.57 0.00 0.00 0.00 179.25 180.10 1l3g h LYS 84 N -1.07 0.00 -0.13 0.00 2.10 -1.52 0.29 116.57 116.24 1l3g h LYS 84 Ca -0.10 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.39 1l3g h LYS 84 Cb 0.79 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1l3g h LYS 84 CO 0.17 0.00 -0.60 0.37 -2.00 0.00 0.00 179.45 177.39 1l3g h GLN 85 N 0.00 0.44 0.12 0.07 4.15 -1.57 -1.56 115.11 116.76 1l3g h GLN 85 Ca 0.17 -0.30 -0.30 0.00 0.77 0.00 0.00 58.65 59.00 1l3g h GLN 85 Cb 0.77 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1l3g h GLN 85 CO -0.00 0.91 -1.48 1.25 -1.93 0.00 0.00 178.83 177.58 1l3g h LEU 86 N 0.33 0.38 -0.08 -2.39 5.85 0.20 -3.30 115.31 116.29 1l3g h LEU 86 Ca -0.00 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1l3g h LEU 86 Cb 1.13 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1l3g h LEU 86 CO 0.10 1.42 -0.02 0.00 -0.34 0.00 0.00 178.44 179.60 1l3g h ALA 87 N 0.52 0.12 -0.20 1.25 0.00 -0.56 -2.42 119.26 117.97 1l3g h ALA 87 Ca -0.22 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1l3g h ALA 87 Cb 2.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1l3g h ALA 87 CO 0.17 -0.16 0.41 1.05 0.00 0.00 0.00 179.25 180.72 1l3g h GLU 88 N -0.17 0.00 0.00 0.00 4.11 -1.42 -1.21 114.58 115.89 1l3g h GLU 88 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1l3g h GLU 88 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1l3g h GLU 88 CO 0.01 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.26 1l3g n LYS 89 N -3.26 0.00 -0.28 1.06 4.81 -0.91 -4.65 118.16 114.93 1l3g n LYS 89 Ca 0.03 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.53 1l3g n LYS 89 Cb 0.52 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.77 1l3g n LYS 89 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1l3g n PHE 90 N 0.00 0.67 0.00 5.64 3.72 -1.24 -4.79 117.46 121.45 1l3g n PHE 90 Ca 0.00 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 1l3g n PHE 90 Cb 0.00 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1l3g n PHE 90 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1l3g n SER 91 N 0.23 0.00 -0.04 4.37 7.64 -0.49 -4.85 113.62 120.48 1l3g n SER 91 Ca 0.15 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.08 1l3g n SER 91 Cb 0.60 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.87 1l3g n SER 91 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1l3g n VAL 92 N 0.00 1.42 -0.34 0.44 0.31 -1.18 -4.60 118.33 114.37 1l3g n VAL 92 Ca 0.00 -1.61 0.26 0.00 -0.01 0.00 0.00 64.34 62.98 1l3g n VAL 92 Cb 0.00 0.13 0.40 0.00 -0.91 0.00 0.00 33.84 33.46 1l3g n VAL 92 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l3g n TYR 93 N -0.96 0.00 -0.08 3.52 0.18 -1.01 0.66 117.16 119.46 1l3g n TYR 93 Ca 0.08 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.74 1l3g n TYR 93 Cb 0.46 -0.24 -0.06 0.00 -0.38 0.00 0.00 39.34 39.12 1l3g n TYR 93 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1l3g n ASP 94 N -2.92 1.83 0.31 9.48 -0.08 -1.26 -4.17 116.55 119.74 1l3g n ASP 94 Ca 0.22 0.55 0.18 0.00 -1.51 0.00 0.00 54.79 54.23 1l3g n ASP 94 Cb 0.98 -0.91 1.01 0.00 2.34 0.00 0.00 41.12 44.55 1l3g n ASP 94 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1l3g h GLN 95 N -1.00 0.00 -0.89 -0.67 4.15 -0.14 -1.25 115.11 115.31 1l3g h GLN 95 Ca -0.15 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 1l3g h GLN 95 Cb 0.83 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 1l3g h GLN 95 CO -0.09 0.01 0.07 1.28 -1.93 0.00 0.00 178.83 178.17 1l3g n LEU 96 N -3.48 3.19 0.03 -2.39 4.77 0.11 -4.36 117.00 114.87 1l3g n LEU 96 Ca -0.03 -1.63 -0.10 0.00 -0.03 0.00 0.00 56.01 54.22 1l3g n LEU 96 Cb 0.10 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1l3g n LEU 96 CO 0.25 0.47 0.74 0.11 -1.33 0.00 0.00 177.39 177.63 1l3g h LYS 97 N 1.16 -0.27 0.53 3.23 1.57 -1.40 -0.93 116.57 120.46 1l3g h LYS 97 Ca 0.06 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1l3g h LYS 97 Cb 1.22 0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.60 1l3g h LYS 97 CO 0.24 -0.18 -0.26 -1.00 -0.57 0.00 0.00 179.45 177.69 1l3g h PRO 98 N -0.28 -0.69 -1.20 3.15 0.13 -1.76 -0.20 132.00 131.16 1l3g h PRO 98 Ca 0.07 0.05 0.38 0.00 -0.87 0.00 0.00 66.00 65.63 1l3g h PRO 98 Cb 0.38 0.16 -0.13 0.00 0.13 0.00 0.00 31.00 31.54 1l3g h PRO 98 CO -0.22 -0.38 0.76 1.25 -0.23 0.00 0.00 178.00 179.18 1l3g h LEU 99 N -1.04 0.33 0.00 1.56 7.12 -1.42 1.33 115.31 123.19 1l3g h LEU 99 Ca -0.07 0.14 -0.06 0.00 0.13 0.00 0.00 57.88 58.01 1l3g h LEU 99 Cb 0.62 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1l3g h LEU 99 CO 0.12 -0.13 -0.76 -0.26 -0.13 0.00 0.00 178.44 177.28 1l3g h PHE 100 N 0.18 0.00 -0.19 1.25 0.04 -1.03 -3.32 116.94 113.86 1l3g h PHE 100 Ca 0.76 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 61.35 1l3g h PHE 100 Cb 2.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.36 1l3g h PHE 100 CO -0.01 0.25 -0.62 -0.44 -0.60 0.00 0.00 178.31 176.89 1l3g h ASP 101 N 0.00 0.77 -3.49 2.17 3.32 0.36 -3.50 116.42 116.05 1l3g h ASP 101 Ca -0.04 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1l3g h ASP 101 Cb 1.23 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1l3g h ASP 101 CO 0.03 1.21 0.00 0.33 -1.72 0.00 0.00 179.24 179.08 1l3g n PHE 102 N -3.95 0.00 -2.57 4.55 -0.00 -0.51 -4.81 117.46 110.17 1l3g n PHE 102 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.99 1l3g n PHE 102 Cb 0.66 -1.63 -0.03 0.00 -0.00 0.00 0.00 39.48 38.47 1l3g n PHE 102 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1l3g s THR 103 N -0.59 3.88 0.14 -2.13 -4.23 -1.26 -4.99 115.64 106.46 1l3g s THR 103 Ca 0.00 -0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 59.99 1l3g s THR 103 Cb 0.00 -4.99 -0.07 0.00 1.34 0.00 0.00 72.50 68.78 1l3g s THR 103 CO 0.00 -1.89 0.61 -1.10 -0.54 0.00 0.00 174.62 171.70 1l3g s GLN 104 N 5.18 4.15 -0.35 3.99 -1.52 -1.26 -4.99 119.66 124.85 1l3g s GLN 104 Ca 0.41 0.70 -0.28 0.00 -1.95 0.00 0.00 55.36 54.24 1l3g s GLN 104 Cb -0.03 -3.03 -0.02 0.00 -0.22 0.00 0.00 33.01 29.70 1l3g s GLN 104 CO -0.00 0.51 1.82 0.99 -0.25 0.00 0.00 175.29 178.36 1l3g s THR 105 N -1.35 3.45 -0.69 -0.19 2.01 -1.26 -4.79 115.64 112.82 1l3g s THR 105 Ca 0.36 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.81 1l3g s THR 105 Cb -0.17 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1l3g s THR 105 CO 0.20 -0.44 0.03 -0.67 -0.69 0.00 0.00 174.62 173.05 1l3g n ASP 106 N 10.60 0.08 0.00 3.53 2.03 -1.26 -4.45 116.55 127.08 1l3g n ASP 106 Ca 0.23 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1l3g n ASP 106 Cb 0.47 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l3g n GLY 107 N 0.63 1.10 3.79 0.27 0.00 -1.26 -5.04 105.19 104.68 1l3g n GLY 107 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1l3g n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1l3g s SER 108 N -2.35 6.96 -0.25 1.61 1.04 -1.26 -4.93 113.70 114.52 1l3g s SER 108 Ca 0.00 1.14 -0.24 0.00 0.48 0.00 0.00 55.95 57.34 1l3g s SER 108 Cb 0.00 -2.34 -0.10 0.00 0.10 0.00 0.00 66.02 63.68 1l3g s SER 108 CO 0.00 0.20 0.83 0.00 0.98 0.00 0.00 173.24 175.26 1l3g n ALA 109 N 2.22 -0.60 -2.65 5.32 0.00 -1.26 -4.80 120.51 118.74 1l3g n ALA 109 Ca -0.10 0.24 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 1l3g n ALA 109 Cb 0.51 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1l3g n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1l3g s SER 110 N 1.67 7.13 0.85 0.00 0.15 -1.26 -5.03 113.70 117.21 1l3g s SER 110 Ca 0.54 1.36 -0.10 0.00 0.70 0.00 0.00 55.95 58.44 1l3g s SER 110 Cb -0.76 -2.46 0.11 0.00 -1.71 0.00 0.00 66.02 61.20 1l3g s SER 110 CO 0.40 -0.12 1.12 -2.16 1.20 0.00 0.00 173.24 173.68 1l3g s PRO 111 N 0.68 1.55 0.88 5.44 0.04 -1.26 -4.99 135.00 137.34 1l3g s PRO 111 Ca 0.41 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1l3g s PRO 111 Cb -0.19 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.67 1l3g s PRO 111 CO 0.22 -2.19 1.11 -1.25 0.04 0.00 0.00 177.00 174.93 1l3g s PRO 112 N -4.77 1.34 0.00 0.56 0.04 -1.26 -5.02 135.00 125.89 1l3g s PRO 112 Ca 0.64 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1l3g s PRO 112 Cb -0.20 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1l3g s PRO 112 CO 0.57 -2.31 0.00 -2.30 0.04 0.00 0.00 177.00 173.00 1l3g n PRO 113 N -3.99 1.10 -0.48 0.56 -0.02 -1.26 -4.84 135.00 126.08 1l3g n PRO 113 Ca 0.09 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.41 1l3g n PRO 113 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.02 1l3g n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l3g n ALA 114 N -2.95 -1.97 -1.95 3.55 0.00 -0.70 -4.63 120.51 111.87 1l3g n ALA 114 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 1l3g n ALA 114 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 1l3g n ALA 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1l3g s PRO 115 N -1.00 4.21 -0.39 0.00 0.04 -1.26 -4.93 135.00 131.66 1l3g s PRO 115 Ca 0.15 2.32 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 1l3g s PRO 115 Cb 0.05 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1l3g s PRO 115 CO 0.27 -0.67 1.35 0.21 0.04 0.00 0.00 177.00 178.20 1l3g s LYS 116 N 2.03 3.67 -0.02 4.56 2.20 -1.26 -5.00 119.74 125.92 1l3g s LYS 116 Ca 0.72 0.96 0.07 0.00 -0.36 0.00 0.00 55.97 57.37 1l3g s LYS 116 Cb -0.41 -3.98 -0.02 0.00 -1.51 0.00 0.00 37.83 31.92 1l3g s LYS 116 CO 0.32 -1.44 -0.25 -3.38 -0.36 0.00 0.00 175.35 170.24 1l3g s HIS 117 N 5.06 2.24 -0.11 4.03 -3.43 -1.26 -5.11 115.29 116.70 1l3g s HIS 117 Ca 0.58 -0.46 -0.18 0.00 -0.80 0.00 0.00 55.06 54.21 1l3g s HIS 117 Cb -0.13 -1.45 -0.04 0.00 -1.43 0.00 0.00 32.58 29.52 1l3g s HIS 117 CO 0.30 -0.06 0.46 -1.58 -2.00 0.00 0.00 174.74 171.86 1l3g s HIS 118 N -0.52 3.53 0.32 0.38 2.46 -1.26 -5.04 115.29 115.15 1l3g s HIS 118 Ca 0.08 0.88 -0.29 0.00 0.47 0.00 0.00 55.06 56.20 1l3g s HIS 118 Cb -0.10 -2.52 -0.10 0.00 -0.13 0.00 0.00 32.58 29.73 1l3g s HIS 118 CO -0.00 0.21 1.29 -3.38 -2.47 0.00 0.00 174.74 170.39 1l3g s HIS 119 N 0.47 3.11 0.64 3.88 -3.43 -1.26 -5.02 115.29 113.69 1l3g s HIS 119 Ca 0.25 1.42 -0.06 0.00 -0.80 0.00 0.00 55.06 55.87 1l3g s HIS 119 Cb -0.15 -3.64 0.04 0.00 -1.43 0.00 0.00 32.58 27.39 1l3g s HIS 119 CO 0.10 -1.76 0.94 0.00 -2.00 0.00 0.00 174.74 172.02 1l3g s ALA 120 N -1.02 3.28 -0.44 -1.38 0.00 -1.26 -5.04 121.76 115.90 1l3g s ALA 120 Ca 0.49 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1l3g s ALA 120 Cb -0.39 -2.56 0.07 0.00 0.00 0.00 0.00 23.12 20.25 1l3g s ALA 120 CO 0.51 -1.03 0.32 -1.54 0.00 0.00 0.00 175.76 174.01 1l3g s SER 121 N -4.41 5.88 -0.77 0.00 1.04 -1.26 -5.02 113.70 109.16 1l3g s SER 121 Ca 0.57 -1.38 -0.14 0.00 0.48 0.00 0.00 55.95 55.48 1l3g s SER 121 Cb -0.11 -2.08 0.20 0.00 0.10 0.00 0.00 66.02 64.14 1l3g s SER 121 CO 0.44 -0.58 0.70 -0.54 0.98 0.00 0.00 173.24 174.25 1l3g s LYS 122 N 1.53 3.44 0.02 4.02 1.02 -1.26 -5.04 119.74 123.47 1l3g s LYS 122 Ca 0.03 -2.34 -0.27 0.00 0.02 0.00 0.00 55.97 53.42 1l3g s LYS 122 Cb -0.23 -4.37 -0.04 0.00 -0.52 0.00 0.00 37.83 32.67 1l3g s LYS 122 CO 0.05 -1.29 0.83 0.54 -0.92 0.00 0.00 175.35 174.56 1l3g s VAL 123 N 0.39 4.80 -2.00 3.17 0.11 -1.26 -5.35 120.40 120.26 1l3g s VAL 123 Ca 0.15 1.76 0.20 0.00 -2.93 0.00 0.00 61.98 61.17 1l3g s VAL 123 Cb -0.14 -4.18 0.57 0.00 -1.53 0.00 0.00 36.38 31.10 1l3g s VAL 123 CO -0.07 0.28 1.59 0.47 -3.33 0.00 0.00 175.10 174.04