#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 0.30 -4.60 -3.46 0.23 -1.26 -2.35 115.26 104.12 1l3g n ASN 3 Ca 0.00 -1.74 -0.43 0.00 -0.53 0.00 0.00 54.58 51.88 1l3g n ASN 3 Cb 0.00 -0.15 -0.02 0.00 -2.08 0.00 0.00 39.78 37.53 1l3g n ASN 3 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1l3g s GLN 4 N -1.66 3.41 -0.36 -3.83 1.11 -1.26 -4.57 119.66 112.50 1l3g s GLN 4 Ca 0.00 1.16 0.04 0.00 0.01 0.00 0.00 55.36 56.57 1l3g s GLN 4 Cb 0.00 -4.13 0.10 0.00 -1.01 0.00 0.00 33.01 27.97 1l3g s GLN 4 CO 0.00 -1.77 0.07 0.42 0.01 0.00 0.00 175.29 174.02 1l3g s ILE 5 N 6.34 2.29 0.56 1.08 1.09 -1.26 -4.27 121.20 127.03 1l3g s ILE 5 Ca 0.71 -2.43 -0.02 0.00 -1.10 0.00 0.00 60.65 57.80 1l3g s ILE 5 Cb -0.18 -2.69 0.02 0.00 -1.06 0.00 0.00 42.46 38.55 1l3g s ILE 5 CO 0.33 -0.62 0.82 -0.31 -0.10 0.00 0.00 174.94 175.06 1l3g s TYR 6 N 0.79 3.08 0.04 3.97 2.02 -1.04 -4.49 117.35 121.72 1l3g s TYR 6 Ca 0.12 0.31 0.05 0.00 -0.37 0.00 0.00 57.07 57.18 1l3g s TYR 6 Cb -0.20 -2.70 -0.04 0.00 -0.40 0.00 0.00 41.96 38.62 1l3g s TYR 6 CO -0.07 -0.81 -0.09 0.45 -1.57 0.00 0.00 175.55 173.46 1l3g s SER 7 N -4.35 4.47 0.10 2.29 0.15 4.96 -2.15 113.70 119.17 1l3g s SER 7 Ca 0.54 -0.25 -0.13 0.00 0.70 0.00 0.00 55.95 56.82 1l3g s SER 7 Cb -0.10 -0.96 0.02 0.00 -1.71 0.00 0.00 66.02 63.27 1l3g s SER 7 CO 0.41 0.25 0.31 0.00 1.20 0.00 0.00 173.24 175.41 1l3g s ALA 8 N -1.06 -0.64 -0.14 5.45 0.00 -0.28 -0.73 121.76 124.36 1l3g s ALA 8 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 1l3g s ALA 8 Cb -0.11 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1l3g s ALA 8 CO 0.09 -0.57 -0.07 0.50 0.00 0.00 0.00 175.76 175.72 1l3g s ARG 9 N -3.71 1.50 0.11 0.00 3.00 -1.26 0.12 118.95 118.71 1l3g s ARG 9 Ca 0.03 -0.39 -0.06 0.00 -1.00 0.00 0.00 55.73 54.31 1l3g s ARG 9 Cb 0.03 -1.81 -0.02 0.00 0.00 0.00 0.00 34.95 33.15 1l3g s ARG 9 CO -0.11 -0.35 0.15 0.71 0.00 0.00 0.00 175.30 175.70 1l3g s TYR 10 N 1.67 0.40 -1.48 5.12 2.02 -0.13 -4.87 117.35 120.08 1l3g s TYR 10 Ca 0.03 -0.83 -0.06 0.00 -0.37 0.00 0.00 57.07 55.84 1l3g s TYR 10 Cb -0.14 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.25 1l3g s TYR 10 CO -0.08 -0.55 0.55 -1.13 -1.57 0.00 0.00 175.55 172.77 1l3g n SER 11 N -0.07 -5.44 0.00 2.29 3.41 -1.26 -0.49 113.62 112.06 1l3g n SER 11 Ca -0.11 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1l3g n SER 11 Cb 0.62 -4.42 0.00 0.00 -0.26 0.00 0.00 64.21 60.16 1l3g n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1l3g n GLY 12 N -1.40 1.72 3.09 5.00 0.00 -1.26 -4.93 105.19 107.41 1l3g n GLY 12 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.20 1.14 0.62 1.61 1.01 0.36 -5.14 120.40 117.80 1l3g s VAL 13 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1l3g s VAL 13 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1l3g s VAL 13 CO 0.00 0.33 1.02 -1.81 0.00 0.00 0.00 175.10 174.64 1l3g s ASP 14 N -0.08 6.09 0.36 3.32 1.01 -1.26 -0.96 116.67 125.15 1l3g s ASP 14 Ca 0.00 1.32 -0.05 0.00 0.71 0.00 0.00 52.55 54.54 1l3g s ASP 14 Cb -0.08 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.51 1l3g s ASP 14 CO 0.01 -0.93 0.54 0.68 0.21 0.00 0.00 175.17 175.68 1l3g s VAL 15 N -3.17 0.00 -0.04 -1.27 -7.23 0.32 -0.78 120.40 108.24 1l3g s VAL 15 Ca 0.55 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.27 1l3g s VAL 15 Cb -0.11 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 1l3g s VAL 15 CO 0.53 0.00 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.88 1l3g s TYR 16 N -2.86 2.73 -0.18 2.82 1.51 -0.91 -1.13 117.35 119.33 1l3g s TYR 16 Ca 0.28 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.21 1l3g s TYR 16 Cb -0.01 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1l3g s TYR 16 CO 0.19 0.23 -0.20 -1.21 -1.11 0.00 0.00 175.55 173.45 1l3g s GLU 17 N -0.89 3.01 -0.01 -0.62 2.02 -0.89 -0.60 118.70 120.71 1l3g s GLU 17 Ca 0.13 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.32 1l3g s GLU 17 Cb -0.11 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 1l3g s GLU 17 CO 0.02 -0.20 -0.09 -0.06 0.02 0.00 0.00 175.26 174.95 1l3g s PHE 18 N 1.27 0.80 0.07 1.61 0.08 0.31 -2.49 117.98 119.63 1l3g s PHE 18 Ca 0.04 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.64 1l3g s PHE 18 Cb -0.13 -0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 1l3g s PHE 18 CO -0.12 -0.01 1.00 0.42 -0.10 0.00 0.00 175.22 176.40 1l3g s ILE 19 N -0.23 4.55 0.00 0.64 1.09 -1.06 0.47 121.20 126.65 1l3g s ILE 19 Ca 0.03 1.99 0.00 0.00 -1.10 0.00 0.00 60.65 61.57 1l3g s ILE 19 Cb -0.04 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 37.09 1l3g s ILE 19 CO -0.00 0.24 0.00 1.57 -0.10 0.00 0.00 174.94 176.65 1l3g n HIS 20 N 3.25 0.00 -0.02 3.97 -0.00 4.08 -4.09 115.22 122.41 1l3g n HIS 20 Ca 0.04 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.19 1l3g n HIS 20 Cb 0.49 0.00 0.20 0.00 -0.12 0.00 0.00 29.99 30.57 1l3g n HIS 20 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1l3g h SER 21 N 0.00 0.56 -0.57 0.26 0.87 -1.91 -1.75 113.55 111.01 1l3g h SER 21 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1l3g h SER 21 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1l3g h SER 21 CO 0.00 0.73 0.00 0.41 -0.53 0.00 0.00 176.83 177.44 1l3g n THR 22 N -4.17 0.94 0.00 2.23 -1.04 -1.26 -4.91 114.28 106.07 1l3g n THR 22 Ca 0.01 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 1l3g n THR 22 Cb 0.35 0.31 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 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 1.32 1.33 3.83 3.41 0.00 -0.66 -4.89 105.19 109.53 1l3g n GLY 23 Ca 0.20 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1l3g n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3g s SER 24 N -4.00 6.94 -0.17 1.61 0.15 -1.20 0.78 113.70 117.81 1l3g s SER 24 Ca 0.00 1.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.87 1l3g s SER 24 Cb 0.00 -2.34 -0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1l3g s SER 24 CO 0.00 0.09 -0.13 -0.63 1.20 0.00 0.00 173.24 173.78 1l3g s ILE 25 N -1.45 2.88 -0.20 6.45 1.09 1.68 -4.38 121.20 127.28 1l3g s ILE 25 Ca 0.39 -0.69 -0.05 0.00 -1.10 0.00 0.00 60.65 59.20 1l3g s ILE 25 Cb -0.16 -2.24 -0.03 0.00 -1.06 0.00 0.00 42.46 38.98 1l3g s ILE 25 CO 0.20 0.50 0.00 -0.04 -0.10 0.00 0.00 174.94 175.50 1l3g s MET 26 N 0.88 3.64 0.22 2.79 -1.94 -0.89 -0.53 119.30 123.46 1l3g s MET 26 Ca -0.03 -0.51 0.07 0.00 -1.71 0.00 0.00 55.69 53.50 1l3g s MET 26 Cb -0.15 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.57 1l3g s MET 26 CO -0.00 0.04 0.14 0.21 -0.01 0.00 0.00 175.02 175.39 1l3g s LYS 27 N 0.94 2.79 0.03 2.03 2.20 0.23 -4.50 119.74 123.46 1l3g s LYS 27 Ca 0.01 -1.05 -0.15 0.00 -0.36 0.00 0.00 55.97 54.42 1l3g s LYS 27 Cb -0.14 -2.52 -0.06 0.00 -1.51 0.00 0.00 37.83 33.60 1l3g s LYS 27 CO 0.02 0.43 0.46 0.50 -0.36 0.00 0.00 175.35 176.39 1l3g s ARG 28 N -3.52 3.98 0.21 4.03 3.52 -1.24 -2.14 118.95 123.80 1l3g s ARG 28 Ca 0.32 0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 56.36 1l3g s ARG 28 Cb -0.08 -3.19 0.19 0.00 -1.56 0.00 0.00 34.95 30.30 1l3g s ARG 28 CO 0.23 0.66 1.61 0.87 -0.81 0.00 0.00 175.30 177.86 1l3g h LYS 29 N 4.52 0.71 0.60 5.12 1.79 -1.29 6.86 116.57 134.89 1l3g h LYS 29 Ca -0.51 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 57.62 1l3g h LYS 29 Cb 1.21 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.85 1l3g h LYS 29 CO 0.62 0.91 -0.29 0.87 -1.08 0.00 0.00 179.45 180.49 1l3g h LYS 30 N 0.61 -0.78 -0.04 3.15 6.56 -1.94 -3.34 116.57 120.79 1l3g h LYS 30 Ca 0.07 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1l3g h LYS 30 Cb 0.80 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1l3g h LYS 30 CO 0.07 -0.48 0.00 -0.25 -2.06 0.00 0.00 179.45 176.73 1l3g n ASP 31 N -5.39 1.61 -3.93 0.86 9.92 -1.23 -5.02 116.55 113.37 1l3g n ASP 31 Ca -0.12 -1.39 -0.34 0.00 -0.53 0.00 0.00 54.79 52.40 1l3g n ASP 31 Cb 0.35 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 40.81 1l3g n ASP 31 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1l3g n ASP 32 N 0.15 -4.48 -4.89 -2.24 9.92 2.21 -4.28 116.55 112.94 1l3g n ASP 32 Ca 0.03 -1.12 -0.29 0.00 -0.53 0.00 0.00 54.79 52.88 1l3g n ASP 32 Cb 0.16 -1.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.06 1l3g n ASP 32 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1l3g s TRP 33 N -3.21 3.58 0.07 1.24 0.52 -1.23 -1.29 118.94 118.62 1l3g s TRP 33 Ca 0.20 1.00 0.09 0.00 0.02 0.00 0.00 56.10 57.41 1l3g s TRP 33 Cb -0.11 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1l3g s TRP 33 CO 0.93 -0.42 -0.22 0.54 0.02 0.00 0.00 176.95 177.80 1l3g s VAL 34 N -2.89 2.55 -0.56 4.03 0.11 5.45 -3.62 120.40 125.48 1l3g s VAL 34 Ca 0.50 -1.39 -0.26 0.00 -2.93 0.00 0.00 61.98 57.90 1l3g s VAL 34 Cb -0.11 -2.09 -0.06 0.00 -1.53 0.00 0.00 36.38 32.60 1l3g s VAL 34 CO 0.48 0.26 2.28 0.21 -3.33 0.00 0.00 175.10 174.99 1l3g s ASN 35 N -1.63 4.58 0.57 3.54 3.84 -1.26 0.92 114.94 125.50 1l3g s ASN 35 Ca 0.14 0.78 0.47 0.00 0.21 0.00 0.00 52.86 54.46 1l3g s ASN 35 Cb -0.10 -2.51 1.63 0.00 -0.55 0.00 0.00 41.25 39.71 1l3g s ASN 35 CO 0.06 -2.86 1.55 0.00 -2.79 0.00 0.00 177.10 173.06 1l3g h ALA 36 N 17.77 3.72 0.01 1.71 0.00 1.64 0.65 119.26 144.77 1l3g h ALA 36 Ca -0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1l3g h ALA 36 Cb 1.21 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1l3g h ALA 36 CO 1.16 -2.31 -0.01 1.15 0.00 0.00 0.00 179.25 179.25 1l3g h THR 37 N 0.00 1.06 0.00 0.00 2.02 -1.83 6.05 112.91 120.21 1l3g h THR 37 Ca 0.86 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.81 1l3g h THR 37 Cb 3.60 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 71.22 1l3g h THR 37 CO -0.01 0.06 -0.00 -0.74 0.37 0.00 0.00 175.52 175.20 1l3g h HIS 38 N -0.11 0.00 0.01 3.16 -0.00 -0.03 3.74 115.15 121.92 1l3g h HIS 38 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.12 1l3g h HIS 38 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1l3g h HIS 38 CO -0.04 0.00 -1.37 -0.89 -0.00 0.00 0.00 177.93 175.62 1l3g n ILE 39 N -4.36 1.56 -0.11 6.26 -0.00 -0.61 -3.33 119.36 118.78 1l3g n ILE 39 Ca -0.03 -0.09 -0.22 0.00 -0.00 0.00 0.00 62.75 62.40 1l3g n ILE 39 Cb 0.09 -2.01 -0.11 0.00 -0.00 0.00 0.00 39.64 37.61 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 -4.34 1.87 0.23 1.39 4.77 1.95 -3.89 117.00 118.98 1l3g n LEU 40 Ca -0.33 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1l3g n LEU 40 Cb 0.72 -0.96 0.55 0.00 -2.33 0.00 0.00 43.42 41.40 1l3g n LEU 40 CO 0.20 0.30 0.86 0.50 -1.33 0.00 0.00 177.39 177.93 1l3g h LYS 41 N -0.99 0.00 0.00 3.23 3.11 0.60 0.57 116.57 123.09 1l3g h LYS 41 Ca -0.38 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.43 1l3g h LYS 41 Cb 1.34 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1l3g h LYS 41 CO -0.22 0.22 -0.15 0.00 -2.81 0.00 0.00 179.45 176.49 1l3g h ALA 42 N 1.78 1.12 0.00 5.00 0.00 0.43 0.35 119.26 127.94 1l3g h ALA 42 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1l3g h ALA 42 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1l3g h ALA 42 CO 0.03 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1l3g n ALA 43 N -2.23 2.17 -1.88 0.00 0.00 -0.68 -4.72 120.51 113.18 1l3g n ALA 43 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1l3g n ALA 43 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.20 0.00 -0.61 0.00 2.04 0.19 -5.04 115.26 111.64 1l3g n ASN 44 Ca 0.00 -1.33 0.02 0.00 -0.44 0.00 0.00 54.58 52.83 1l3g n ASN 44 Cb 0.12 -0.07 -0.01 0.00 -2.53 0.00 0.00 39.78 37.29 1l3g n ASN 44 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 1l3g n PHE 45 N 0.00 -0.46 -3.05 -2.53 -0.00 0.12 -4.38 117.46 107.16 1l3g n PHE 45 Ca 0.00 0.26 -0.45 0.00 -0.00 0.00 0.00 57.45 57.26 1l3g n PHE 45 Cb 0.57 -0.42 -0.03 0.00 -0.00 0.00 0.00 39.48 39.60 1l3g n PHE 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1l3g s ALA 46 N -4.86 3.53 0.00 3.13 0.00 -1.26 -4.24 121.76 118.06 1l3g s ALA 46 Ca 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 51.96 49.22 1l3g s ALA 46 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1l3g s ALA 46 CO 0.00 -2.69 0.00 1.63 0.00 0.00 0.00 175.76 174.70 1l3g n LYS 47 N 5.97 0.98 0.03 0.00 5.02 -1.26 -4.87 118.16 124.03 1l3g n LYS 47 Ca 0.14 0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.65 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 2.28 0.06 7.82 0.00 -1.96 0.33 119.26 128.79 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 -0.80 -0.03 0.87 0.00 0.00 0.00 179.25 179.30 1l3g h LYS 49 N 0.00 -0.07 0.00 0.00 1.57 -1.91 -2.74 116.57 113.41 1l3g h LYS 49 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1l3g h LYS 49 Cb 1.30 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 1l3g h LYS 49 CO -0.00 0.32 -0.04 0.00 -0.57 0.00 0.00 179.45 179.16 1l3g h ARG 50 N -0.48 0.00 -0.32 3.15 -0.00 -0.59 0.15 114.38 116.29 1l3g h ARG 50 Ca -0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.36 1l3g h ARG 50 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 1l3g h ARG 50 CO 0.01 0.04 -0.27 1.15 0.00 0.00 0.00 179.97 180.90 1l3g h THR 51 N 0.00 1.28 0.00 2.04 2.02 -0.90 -0.77 112.91 116.57 1l3g h THR 51 Ca -0.00 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1l3g h THR 51 Cb 0.09 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1l3g h THR 51 CO 0.00 0.45 -0.12 0.54 0.37 0.00 0.00 175.52 176.76 1l3g n ARG 52 N -4.10 0.10 -0.26 6.66 3.00 -0.43 -2.22 116.66 119.42 1l3g n ARG 52 Ca -0.00 0.31 0.06 0.00 -0.01 0.00 0.00 57.85 58.20 1l3g n ARG 52 Cb 0.44 -0.96 0.17 0.00 0.00 0.00 0.00 32.46 32.11 1l3g n ARG 52 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1l3g h ILE 53 N -0.23 0.32 0.44 0.55 5.03 -0.93 1.32 117.51 124.01 1l3g h ILE 53 Ca 0.00 -0.03 -0.02 0.00 -0.12 0.00 0.00 64.86 64.68 1l3g h ILE 53 Cb 0.12 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 34.12 1l3g h ILE 53 CO 0.00 0.02 -0.21 -0.07 -0.68 0.00 0.00 178.15 177.21 1l3g h LEU 54 N 0.10 -0.50 -0.59 1.44 3.38 -1.26 0.91 115.31 118.80 1l3g h LEU 54 Ca 0.43 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.41 1l3g h LEU 54 Cb 0.76 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.55 1l3g h LEU 54 CO -0.68 -0.11 0.11 -0.08 0.09 0.00 0.00 178.44 177.77 1l3g h GLU 55 N -0.97 0.23 -0.23 1.13 4.57 -0.78 4.45 114.58 122.98 1l3g h GLU 55 Ca -0.06 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.91 1l3g h GLU 55 Cb 0.57 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1l3g h GLU 55 CO 0.10 0.15 -0.63 -0.22 -1.18 0.00 0.00 179.01 177.23 1l3g h LYS 56 N 0.24 0.80 0.06 1.92 3.11 0.17 2.39 116.57 125.25 1l3g h LYS 56 Ca 0.31 -0.56 -0.00 0.00 -2.81 0.00 0.00 60.65 57.59 1l3g h LYS 56 Cb 0.46 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1l3g h LYS 56 CO -0.41 1.18 -0.03 0.93 -2.81 0.00 0.00 179.45 178.31 1l3g h GLU 57 N 0.59 -0.07 0.03 1.90 5.08 0.24 -3.14 114.58 119.21 1l3g h GLU 57 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1l3g h GLU 57 Cb 1.24 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1l3g h GLU 57 CO 0.13 0.46 -0.49 -0.39 -1.00 0.00 0.00 179.01 177.72 1l3g h VAL 58 N -0.67 1.52 -0.98 3.13 -1.51 0.86 -3.26 116.25 115.34 1l3g h VAL 58 Ca -0.01 -2.35 0.27 0.00 -1.23 0.00 0.00 66.70 63.38 1l3g h VAL 58 Cb 0.57 3.09 -0.18 0.00 -2.13 0.00 0.00 31.29 32.64 1l3g h VAL 58 CO 0.01 0.58 0.07 0.25 -1.23 0.00 0.00 177.57 177.25 1l3g h LEU 59 N -0.83 -0.41 -0.04 4.19 7.12 0.42 7.00 115.31 132.76 1l3g h LEU 59 Ca -0.12 0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1l3g h LEU 59 Cb 1.23 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 41.82 1l3g h LEU 59 CO -0.01 -0.35 0.00 0.29 -0.13 0.00 0.00 178.44 178.25 1l3g n LYS 60 N -5.46 0.02 0.00 1.25 4.01 -1.18 -4.73 118.16 112.07 1l3g n LYS 60 Ca 0.24 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.26 1l3g n LYS 60 Cb 0.78 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1l3g n GLU 61 N -1.56 3.95 -1.99 1.97 4.71 2.25 -5.02 120.64 124.95 1l3g n GLU 61 Ca 0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.84 1l3g n GLU 61 Cb 0.20 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.67 1l3g n GLU 61 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1l3g n THR 62 N 0.00 3.25 -2.12 2.62 -1.04 -1.24 -4.97 114.28 110.78 1l3g n THR 62 Ca 0.00 -4.28 -0.41 0.00 -2.04 0.00 0.00 64.05 57.32 1l3g n THR 62 Cb 0.00 -1.23 -0.02 0.00 -1.82 0.00 0.00 70.33 67.25 1l3g n THR 62 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1l3g s HIS 63 N -3.89 3.11 0.08 -1.42 -3.43 -1.23 -4.77 115.29 103.74 1l3g s HIS 63 Ca 0.53 1.26 -0.10 0.00 -0.80 0.00 0.00 55.06 55.94 1l3g s HIS 63 Cb 0.44 -3.69 0.01 0.00 -1.43 0.00 0.00 32.58 27.90 1l3g s HIS 63 CO -0.29 -2.06 0.23 -1.21 -2.00 0.00 0.00 174.74 169.41 1l3g s GLU 64 N -0.92 0.84 -0.32 -0.38 0.41 -1.25 -4.93 118.70 112.14 1l3g s GLU 64 Ca 0.54 -0.82 -0.12 0.00 -0.41 0.00 0.00 54.97 54.16 1l3g s GLU 64 Cb -0.39 0.35 -0.03 0.00 -1.78 0.00 0.00 34.13 32.28 1l3g s GLU 64 CO 0.46 -0.27 0.22 -1.59 -0.49 0.00 0.00 175.26 173.58 1l3g s LYS 65 N -3.47 3.60 -0.13 1.61 -2.85 -1.18 -1.65 119.74 115.66 1l3g s LYS 65 Ca 0.02 -0.57 -0.17 0.00 -1.00 0.00 0.00 55.97 54.25 1l3g s LYS 65 Cb 0.03 -3.74 -0.04 0.00 -2.06 0.00 0.00 37.83 32.02 1l3g s LYS 65 CO -0.09 -0.37 0.44 0.08 0.10 0.00 0.00 175.35 175.51 1l3g s VAL 66 N 1.72 5.21 0.24 1.79 1.01 -1.13 -4.96 120.40 124.27 1l3g s VAL 66 Ca 0.06 0.87 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 1l3g s VAL 66 Cb -0.17 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1l3g s VAL 66 CO 0.10 0.33 0.24 0.00 0.00 0.00 0.00 175.10 175.77 1l3g s GLN 67 N 0.67 1.38 0.00 2.72 -2.07 -1.26 -3.74 119.66 117.36 1l3g s GLN 67 Ca 0.24 -1.62 0.00 0.00 -1.82 0.00 0.00 55.36 52.16 1l3g s GLN 67 Cb -0.15 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 1l3g s GLN 67 CO 0.09 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 1l3g n GLY 68 N -0.36 1.54 0.00 2.60 0.00 -1.26 -3.18 105.19 104.53 1l3g n GLY 68 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.51 3.31 -0.02 0.00 -1.26 -5.02 105.19 100.71 1l3g n GLY 69 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 4.18 0.00 1.61 0.08 -1.19 -4.40 117.98 116.26 1l3g s PHE 70 Ca 0.00 -2.68 0.00 0.00 0.12 0.00 0.00 56.93 54.37 1l3g s PHE 70 Cb 0.00 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1l3g s PHE 70 CO 0.00 -0.93 0.00 0.41 -0.10 0.00 0.00 175.22 174.60 1l3g n GLY 71 N 2.76 0.57 0.03 4.36 0.00 -1.26 -4.26 105.19 107.39 1l3g n GLY 71 Ca 0.23 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.70 0.05 0.12 1.61 0.00 -1.25 -1.63 118.16 114.37 1l3g n LYS 72 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 58.31 58.54 1l3g n LYS 72 Cb 0.00 -1.59 -0.01 0.00 0.00 0.00 0.00 35.03 33.44 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 -1.86 -3.35 116.97 117.48 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 0.35 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.04 1l3g h TYR 73 CO 0.00 0.61 -1.97 1.04 -1.05 0.00 0.00 178.16 176.79 1l3g n GLN 74 N -3.25 0.63 0.00 4.88 3.00 -0.83 -4.54 117.38 117.27 1l3g n GLN 74 Ca 0.01 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 1l3g n GLN 74 Cb 0.78 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.39 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 1.64 1.43 3.06 1.08 0.00 -0.64 -4.11 105.19 107.64 1l3g n GLY 75 Ca -0.41 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 5.22 -1.63 2.61 -1.04 -0.66 -2.84 114.28 115.95 1l3g n THR 76 Ca 0.00 -5.85 -0.31 0.00 -2.04 0.00 0.00 64.05 55.85 1l3g n THR 76 Cb 0.00 -2.16 0.06 0.00 -1.82 0.00 0.00 70.33 66.41 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 -2.55 3.10 0.17 -1.42 -2.14 -1.17 0.59 118.94 115.52 1l3g s TRP 77 Ca 0.31 1.28 -0.02 0.00 2.66 0.00 0.00 56.10 60.33 1l3g s TRP 77 Cb 0.02 -2.96 -0.04 0.00 -3.10 0.00 0.00 33.47 27.40 1l3g s TRP 77 CO 0.08 -1.35 0.13 0.14 -2.66 0.00 0.00 176.95 173.29 1l3g s VAL 78 N -3.13 0.04 -0.28 -0.66 -7.23 5.60 -4.18 120.40 110.57 1l3g s VAL 78 Ca 0.59 -1.89 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 1l3g s VAL 78 Cb -0.13 -2.26 -0.08 0.00 0.56 0.00 0.00 36.38 34.46 1l3g s VAL 78 CO 0.54 -0.20 2.21 -2.65 -0.31 0.00 0.00 175.10 174.69 1l3g n PRO 79 N -0.20 1.55 -0.27 4.82 -0.02 -1.26 0.90 135.00 140.51 1l3g n PRO 79 Ca -0.02 0.42 0.32 0.00 -2.02 0.00 0.00 63.50 62.20 1l3g n PRO 79 Cb 0.65 -2.88 0.73 0.00 -0.02 0.00 0.00 33.50 31.97 1l3g n PRO 79 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1l3g h LEU 80 N 13.88 0.03 -0.67 2.45 -0.00 -1.38 1.71 115.31 131.34 1l3g h LEU 80 Ca -0.34 0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.41 1l3g h LEU 80 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 1l3g h LEU 80 CO 0.99 0.01 -0.38 -1.13 -0.00 0.00 0.00 178.44 177.92 1l3g h ASN 81 N 0.03 0.63 0.08 0.17 -0.73 -1.86 -1.77 115.58 112.12 1l3g h ASN 81 Ca 0.52 -0.27 -0.37 0.00 1.87 0.00 0.00 56.30 58.04 1l3g h ASN 81 Cb 2.02 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 40.40 1l3g h ASN 81 CO -0.02 0.95 -2.21 0.00 -0.37 0.00 0.00 177.43 175.77 1l3g n ILE 82 N -4.04 1.64 0.21 2.57 0.00 0.20 -3.87 119.36 116.07 1l3g n ILE 82 Ca -0.02 -0.63 -0.15 0.00 0.00 0.00 0.00 62.75 61.96 1l3g n ILE 82 Cb 0.51 -1.54 -0.08 0.00 0.00 0.00 0.00 39.64 38.53 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1l3g h ALA 83 N 0.10 -0.51 -0.71 1.51 0.00 0.21 -1.59 119.26 118.27 1l3g h ALA 83 Ca -0.49 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.38 1l3g h ALA 83 Cb 1.98 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.92 1l3g h ALA 83 CO 0.01 -0.73 0.47 1.57 0.00 0.00 0.00 179.25 180.57 1l3g h LYS 84 N -0.62 0.52 -0.01 0.00 2.10 -1.48 0.15 116.57 117.23 1l3g h LYS 84 Ca -0.05 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 1l3g h LYS 84 Cb 0.45 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 1l3g h LYS 84 CO 0.09 0.34 -0.61 -0.56 -2.00 0.00 0.00 179.45 176.70 1l3g h GLN 85 N 0.53 0.02 0.03 0.07 3.07 -1.60 0.55 115.11 117.78 1l3g h GLN 85 Ca 0.33 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 59.02 1l3g h GLN 85 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 1l3g h GLN 85 CO -0.11 0.63 -0.16 1.25 0.09 0.00 0.00 178.83 180.52 1l3g h LEU 86 N 0.02 0.10 0.00 0.06 7.12 0.00 -3.32 115.31 119.29 1l3g h LEU 86 Ca -0.01 -0.97 -0.02 0.00 0.13 0.00 0.00 57.88 57.02 1l3g h LEU 86 Cb 1.09 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1l3g h LEU 86 CO 0.08 1.06 -0.31 0.00 -0.13 0.00 0.00 178.44 179.14 1l3g h ALA 87 N 0.04 0.02 -0.69 1.25 0.00 -0.85 -3.33 119.26 115.70 1l3g h ALA 87 Ca -0.03 -0.35 0.20 0.00 0.00 0.00 0.00 54.91 54.73 1l3g h ALA 87 Cb 1.11 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1l3g h ALA 87 CO 0.03 0.27 1.07 -0.85 0.00 0.00 0.00 179.25 179.77 1l3g n GLU 88 N -4.67 0.02 0.00 0.00 0.28 0.19 -0.97 120.64 115.49 1l3g n GLU 88 Ca -0.06 0.92 0.00 0.00 -0.16 0.00 0.00 57.16 57.85 1l3g n GLU 88 Cb 0.20 -2.34 0.00 0.00 1.43 0.00 0.00 31.44 30.74 1l3g n GLU 88 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1l3g n LYS 89 N -2.88 0.00 0.00 3.44 4.81 -1.23 -3.78 118.16 118.52 1l3g n LYS 89 Ca 0.16 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.66 1l3g n LYS 89 Cb 1.28 -0.03 0.05 0.00 0.02 0.00 0.00 35.03 36.35 1l3g n LYS 89 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1l3g n PHE 90 N 0.00 0.00 0.00 5.64 1.16 -1.14 -4.16 117.46 118.95 1l3g n PHE 90 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1l3g n PHE 90 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1l3g n PHE 90 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1l3g n SER 91 N 0.63 0.00 -0.03 5.98 7.64 -0.14 -4.65 113.62 123.05 1l3g n SER 91 Ca 0.07 0.25 0.01 0.00 1.01 0.00 0.00 58.87 60.21 1l3g n SER 91 Cb 0.30 -0.09 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1l3g n SER 91 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1l3g n VAL 92 N -0.77 1.07 -0.38 0.44 0.24 -0.83 -4.64 118.33 113.46 1l3g n VAL 92 Ca 0.00 -1.09 0.38 0.00 -2.04 0.00 0.00 64.34 61.58 1l3g n VAL 92 Cb 0.00 0.44 0.66 0.00 -1.47 0.00 0.00 33.84 33.47 1l3g n VAL 92 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1l3g h TYR 93 N 0.07 0.00 0.00 6.34 -0.00 -1.55 0.39 116.97 122.22 1l3g h TYR 93 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1l3g h TYR 93 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.28 1l3g h TYR 93 CO 0.01 0.00 -0.28 0.22 -0.00 0.00 0.00 178.16 178.11 1l3g h ASP 94 N 0.00 0.00 -0.68 0.10 3.58 -1.86 -3.31 116.42 114.25 1l3g h ASP 94 Ca 0.64 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 58.12 1l3g h ASP 94 Cb 2.95 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 43.95 1l3g h ASP 94 CO -0.01 0.65 0.41 1.56 -2.88 0.00 0.00 179.24 178.97 1l3g h GLN 95 N -1.00 0.75 -1.10 0.28 1.08 -1.55 -1.24 115.11 112.34 1l3g h GLN 95 Ca -0.00 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1l3g h GLN 95 Cb 0.29 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1l3g h GLN 95 CO -0.00 0.50 0.08 1.28 -0.95 0.00 0.00 178.83 179.74 1l3g n LEU 96 N -4.72 3.67 0.26 1.46 4.77 0.12 -4.42 117.00 118.14 1l3g n LEU 96 Ca 0.08 -1.84 -0.18 0.00 -0.03 0.00 0.00 56.01 54.05 1l3g n LEU 96 Cb 0.13 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 1l3g n LEU 96 CO 0.31 0.62 0.55 0.50 -1.33 0.00 0.00 177.39 178.04 1l3g h LYS 97 N 0.22 -0.90 0.83 3.23 1.63 -1.31 0.58 116.57 120.86 1l3g h LYS 97 Ca 0.07 0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1l3g h LYS 97 Cb 1.19 0.20 0.01 0.00 -0.60 0.00 0.00 32.23 33.03 1l3g h LYS 97 CO 0.13 -0.60 -0.40 -1.35 -3.45 0.00 0.00 179.45 173.79 1l3g h PRO 98 N -0.93 -1.07 -0.98 1.90 0.11 -1.83 -0.65 132.00 128.56 1l3g h PRO 98 Ca -0.05 0.07 0.21 0.00 0.11 0.00 0.00 66.00 66.34 1l3g h PRO 98 Cb 0.83 0.24 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 1l3g h PRO 98 CO -0.09 -0.70 0.62 1.25 -0.21 0.00 0.00 178.00 178.86 1l3g h LEU 99 N -1.24 0.61 -0.82 2.35 6.46 -1.45 0.44 115.31 121.67 1l3g h LEU 99 Ca -0.11 0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.64 1l3g h LEU 99 Cb 0.86 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1l3g h LEU 99 CO 0.19 0.21 -0.37 -0.26 -0.62 0.00 0.00 178.44 177.59 1l3g h PHE 100 N 0.59 0.00 0.00 1.25 0.04 0.39 -2.95 116.94 116.26 1l3g h PHE 100 Ca 0.55 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.24 1l3g h PHE 100 Cb 1.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 1l3g h PHE 100 CO -0.00 0.37 -0.36 -0.44 -0.60 0.00 0.00 178.31 177.27 1l3g h ASP 101 N 0.00 0.00 -1.44 2.17 5.19 0.14 -3.50 116.42 118.99 1l3g h ASP 101 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1l3g h ASP 101 Cb 0.95 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.46 1l3g h ASP 101 CO 0.05 0.36 0.00 0.33 -3.12 0.00 0.00 179.24 176.86 1l3g n PHE 102 N -3.21 0.00 -2.56 4.55 -0.00 -0.56 -4.26 117.46 111.42 1l3g n PHE 102 Ca 0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.06 1l3g n PHE 102 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.11 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 -3.04 3.84 -0.03 -2.13 -4.23 -1.26 -4.98 115.64 103.81 1l3g s THR 103 Ca 0.00 -0.21 -0.24 0.00 -1.18 0.00 0.00 61.69 60.06 1l3g s THR 103 Cb 0.00 -4.99 -0.04 0.00 1.34 0.00 0.00 72.50 68.81 1l3g s THR 103 CO 0.00 -1.89 0.74 -1.58 -0.54 0.00 0.00 174.62 171.35 1l3g s GLN 104 N 5.31 4.46 0.29 3.99 -0.44 -1.26 -4.88 119.66 127.13 1l3g s GLN 104 Ca 0.40 0.98 0.08 0.00 -2.50 0.00 0.00 55.36 54.32 1l3g s GLN 104 Cb -0.04 -3.42 -0.04 0.00 -1.64 0.00 0.00 33.01 27.87 1l3g s GLN 104 CO 0.02 0.12 0.18 0.99 0.50 0.00 0.00 175.29 177.11 1l3g s THR 105 N 0.55 3.78 0.00 -0.34 2.01 -1.26 -4.86 115.64 115.51 1l3g s THR 105 Ca 0.39 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1l3g s THR 105 Cb -0.19 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1l3g s THR 105 CO 0.20 -0.27 0.00 0.47 -0.69 0.00 0.00 174.62 174.33 1l3g n ASP 106 N -1.18 0.00 0.00 3.53 8.00 -1.26 -2.97 116.55 122.66 1l3g n ASP 106 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1l3g n ASP 106 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1l3g n GLY 107 N 0.26 0.42 3.44 0.44 0.00 -1.26 -5.02 105.19 103.46 1l3g n GLY 107 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.64 6.19 -0.23 1.61 1.04 -1.16 -5.00 113.70 113.51 1l3g s SER 108 Ca 0.00 -1.06 -0.29 0.00 0.48 0.00 0.00 55.95 55.08 1l3g s SER 108 Cb 0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 1l3g s SER 108 CO 0.00 -1.28 1.67 0.00 0.98 0.00 0.00 173.24 174.60 1l3g s ALA 109 N 3.54 3.19 -0.59 5.32 0.00 -1.26 -4.42 121.76 127.55 1l3g s ALA 109 Ca 0.19 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1l3g s ALA 109 Cb -0.19 -3.89 0.15 0.00 0.00 0.00 0.00 23.12 19.19 1l3g s ALA 109 CO 0.10 -2.08 0.35 -1.54 0.00 0.00 0.00 175.76 172.59 1l3g s SER 110 N 4.65 4.64 -0.61 0.00 1.04 -1.26 -5.04 113.70 117.11 1l3g s SER 110 Ca 0.74 -3.15 -0.27 0.00 0.48 0.00 0.00 55.95 53.74 1l3g s SER 110 Cb -0.25 -1.69 0.01 0.00 0.10 0.00 0.00 66.02 64.19 1l3g s SER 110 CO 0.31 -0.23 1.50 -2.16 0.98 0.00 0.00 173.24 173.63 1l3g s PRO 111 N -0.49 3.11 -0.01 4.02 0.04 -1.26 -4.97 135.00 135.44 1l3g s PRO 111 Ca 0.19 0.34 -0.29 0.00 0.04 0.00 0.00 61.00 61.28 1l3g s PRO 111 Cb -0.21 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.10 1l3g s PRO 111 CO -0.04 -2.18 0.94 -1.25 0.04 0.00 0.00 177.00 174.52 1l3g s PRO 112 N 5.93 4.54 0.35 0.56 0.04 -1.26 -4.60 135.00 140.55 1l3g s PRO 112 Ca 0.52 1.34 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 1l3g s PRO 112 Cb -0.11 -3.46 -0.09 0.00 0.04 0.00 0.00 34.50 30.88 1l3g s PRO 112 CO 0.22 -0.05 1.16 -2.14 0.04 0.00 0.00 177.00 176.23 1l3g s PRO 113 N 1.03 4.31 0.78 0.56 0.02 -1.24 0.86 135.00 141.32 1l3g s PRO 113 Ca 0.50 1.86 -0.19 0.00 0.02 0.00 0.00 61.00 63.19 1l3g s PRO 113 Cb -0.20 -2.91 -0.14 0.00 0.02 0.00 0.00 34.50 31.27 1l3g s PRO 113 CO 0.26 -0.10 -1.07 0.00 -0.33 0.00 0.00 177.00 175.76 1l3g n ALA 114 N 0.56 -3.01 -1.62 -1.55 0.00 0.09 -4.38 120.51 110.60 1l3g n ALA 114 Ca 0.02 -0.96 -0.45 0.00 0.00 0.00 0.00 53.44 52.05 1l3g n ALA 114 Cb 0.45 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 1l3g n ALA 114 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1l3g n PRO 115 N 2.10 1.56 -0.76 0.00 -0.02 -1.26 -4.68 135.00 131.95 1l3g n PRO 115 Ca -0.01 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.72 1l3g n PRO 115 Cb 0.52 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 1l3g n PRO 115 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1l3g n LYS 116 N 1.00 0.00 -3.98 -0.52 5.02 -1.26 -4.89 118.16 113.52 1l3g n LYS 116 Ca 0.10 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.11 1l3g n LYS 116 Cb 0.32 -0.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 1l3g n LYS 116 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1l3g s HIS 117 N 0.38 3.38 -0.26 2.13 3.76 -1.26 -5.01 115.29 118.41 1l3g s HIS 117 Ca 0.46 0.11 -0.39 0.00 -0.15 0.00 0.00 55.06 55.09 1l3g s HIS 117 Cb -0.64 -1.64 -0.15 0.00 1.11 0.00 0.00 32.58 31.26 1l3g s HIS 117 CO 0.31 0.53 1.81 1.58 -0.85 0.00 0.00 174.74 178.12 1l3g n HIS 118 N -0.21 2.07 -3.91 1.40 -0.00 -1.26 -4.92 115.22 108.38 1l3g n HIS 118 Ca -0.07 0.43 -0.35 0.00 0.46 0.00 0.00 57.72 58.20 1l3g n HIS 118 Cb 0.53 -2.50 -0.09 0.00 -0.12 0.00 0.00 29.99 27.82 1l3g n HIS 118 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1l3g s HIS 119 N 3.94 3.33 0.44 1.57 -3.43 -1.26 -5.08 115.29 114.79 1l3g s HIS 119 Ca 0.99 0.20 -0.21 0.00 -0.80 0.00 0.00 55.06 55.24 1l3g s HIS 119 Cb -1.00 -2.09 -0.10 0.00 -1.43 0.00 0.00 32.58 27.95 1l3g s HIS 119 CO 0.63 0.25 0.98 0.00 -2.00 0.00 0.00 174.74 174.60 1l3g s ALA 120 N 0.23 3.01 -0.65 -1.38 0.00 -1.26 -5.01 121.76 116.70 1l3g s ALA 120 Ca 0.06 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.36 1l3g s ALA 120 Cb -0.12 -3.18 0.17 0.00 0.00 0.00 0.00 23.12 19.99 1l3g s ALA 120 CO -0.00 0.00 0.58 -1.12 0.00 0.00 0.00 175.76 175.22 1l3g s SER 121 N -2.07 6.26 -0.07 0.00 0.01 -1.26 -5.05 113.70 111.52 1l3g s SER 121 Ca 0.63 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 55.62 1l3g s SER 121 Cb -0.12 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1l3g s SER 121 CO 0.16 -0.67 -0.05 -0.75 0.41 0.00 0.00 173.24 172.34 1l3g s LYS 122 N 0.84 2.80 -0.34 12.44 2.20 -1.26 -5.05 119.74 131.36 1l3g s LYS 122 Ca 0.11 -0.52 -0.28 0.00 -0.36 0.00 0.00 55.97 54.91 1l3g s LYS 122 Cb -0.21 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1l3g s LYS 122 CO -0.03 0.67 1.76 0.14 -0.36 0.00 0.00 175.35 177.53 1l3g s VAL 123 N -0.85 3.52 -1.48 4.02 -7.23 -1.26 -5.33 120.40 111.79 1l3g s VAL 123 Ca 0.13 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 1l3g s VAL 123 Cb -0.11 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1l3g s VAL 123 CO 0.02 -0.46 0.37 0.47 -0.31 0.00 0.00 175.10 175.19