#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 0.80 -3.05 4.04 2.04 -1.26 -3.92 115.26 113.92 1l3g n ASN 3 Ca 0.00 -0.71 -0.16 0.00 -0.44 0.00 0.00 54.58 53.27 1l3g n ASN 3 Cb 0.00 0.08 0.13 0.00 -2.53 0.00 0.00 39.78 37.45 1l3g n ASN 3 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1l3g n GLN 4 N -0.83 -1.83 -3.79 -3.83 6.02 -1.26 -3.81 117.38 108.04 1l3g n GLN 4 Ca 0.12 -0.95 -0.34 0.00 -0.01 0.00 0.00 57.00 55.82 1l3g n GLN 4 Cb 0.33 -0.83 -0.11 0.00 1.02 0.00 0.00 30.24 30.65 1l3g n GLN 4 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1l3g s ILE 5 N -2.15 3.38 1.10 5.09 1.01 -1.26 -4.43 121.20 123.94 1l3g s ILE 5 Ca 0.38 -3.21 -0.12 0.00 0.00 0.00 0.00 60.65 57.69 1l3g s ILE 5 Cb -0.03 -3.23 0.25 0.00 0.01 0.00 0.00 42.46 39.46 1l3g s ILE 5 CO 0.28 -0.88 1.06 -0.31 0.00 0.00 0.00 174.94 175.10 1l3g s TYR 6 N -0.31 1.43 0.03 3.97 2.02 -1.11 -4.78 117.35 118.59 1l3g s TYR 6 Ca 0.18 1.34 0.05 0.00 -0.37 0.00 0.00 57.07 58.27 1l3g s TYR 6 Cb -0.20 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.16 1l3g s TYR 6 CO -0.03 -3.59 -0.09 0.45 -1.57 0.00 0.00 175.55 170.71 1l3g s SER 7 N -2.57 4.44 0.08 2.29 0.15 -1.26 -0.81 113.70 116.03 1l3g s SER 7 Ca 0.68 -0.24 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 1l3g s SER 7 Cb -0.24 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.14 1l3g s SER 7 CO 0.63 0.25 0.29 0.00 1.20 0.00 0.00 173.24 175.62 1l3g s ALA 8 N -1.03 -0.60 -0.06 5.45 0.00 7.55 -4.38 121.76 128.68 1l3g s ALA 8 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 1l3g s ALA 8 Cb -0.11 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.54 1l3g s ALA 8 CO 0.09 -0.52 0.11 -0.98 0.00 0.00 0.00 175.76 174.46 1l3g s ARG 9 N -3.38 0.01 0.05 0.00 1.70 -1.24 0.63 118.95 116.72 1l3g s ARG 9 Ca 0.01 0.42 -0.01 0.00 -0.47 0.00 0.00 55.73 55.68 1l3g s ARG 9 Cb 0.02 -0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.05 1l3g s ARG 9 CO -0.09 -0.26 -0.03 0.71 -1.08 0.00 0.00 175.30 174.55 1l3g s TYR 10 N 1.83 0.51 -1.41 5.89 1.51 0.90 -4.84 117.35 121.74 1l3g s TYR 10 Ca -0.01 -1.05 -0.10 0.00 -1.01 0.00 0.00 57.07 54.89 1l3g s TYR 10 Cb -0.12 -0.39 0.07 0.00 -0.11 0.00 0.00 41.96 41.42 1l3g s TYR 10 CO -0.05 -0.37 0.64 0.45 -1.11 0.00 0.00 175.55 175.11 1l3g n SER 11 N 0.15 -4.31 0.00 2.29 2.88 -1.26 0.92 113.62 114.29 1l3g n SER 11 Ca -0.14 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1l3g n SER 11 Cb 0.61 -3.52 0.00 0.00 -0.75 0.00 0.00 64.21 60.55 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 -1.36 2.07 3.87 0.46 0.00 -1.26 -4.96 105.19 104.01 1l3g n GLY 12 Ca -0.01 0.00 -0.31 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 -2.22 4.84 -0.21 1.61 1.01 0.26 -5.07 120.40 120.62 1l3g s VAL 13 Ca 0.00 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 1l3g s VAL 13 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1l3g s VAL 13 CO 0.00 -0.26 -0.00 -0.62 0.00 0.00 0.00 175.10 174.21 1l3g s ASP 14 N -2.68 4.72 0.33 3.32 -1.08 -1.26 -0.07 116.67 119.95 1l3g s ASP 14 Ca 0.50 -0.26 -0.01 0.00 -0.52 0.00 0.00 52.55 52.26 1l3g s ASP 14 Cb -0.11 -1.82 -0.01 0.00 -1.46 0.00 0.00 42.92 39.53 1l3g s ASP 14 CO 0.24 0.02 0.42 0.68 0.52 0.00 0.00 175.17 177.06 1l3g s VAL 15 N 1.24 0.00 0.11 1.11 -7.23 2.79 -1.33 120.40 117.10 1l3g s VAL 15 Ca 0.03 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 1l3g s VAL 15 Cb -0.15 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1l3g s VAL 15 CO 0.01 0.00 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.27 1l3g s TYR 16 N -3.21 1.86 -0.19 2.82 2.02 -1.24 1.06 117.35 120.47 1l3g s TYR 16 Ca 0.32 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1l3g s TYR 16 Cb 0.00 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.58 1l3g s TYR 16 CO 0.21 0.24 -0.18 -1.21 -1.57 0.00 0.00 175.55 173.04 1l3g s GLU 17 N -2.03 2.90 0.06 -0.62 2.02 0.01 -2.84 118.70 118.21 1l3g s GLU 17 Ca 0.08 -0.89 0.07 0.00 0.02 0.00 0.00 54.97 54.25 1l3g s GLU 17 Cb -0.10 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 1l3g s GLU 17 CO 0.05 -0.26 -0.19 -0.59 0.02 0.00 0.00 175.26 174.29 1l3g s PHE 18 N 1.27 1.64 0.04 1.61 -0.71 0.93 -2.76 117.98 120.00 1l3g s PHE 18 Ca 0.03 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.23 1l3g s PHE 18 Cb -0.14 -0.94 -0.04 0.00 -1.21 0.00 0.00 43.02 40.68 1l3g s PHE 18 CO -0.11 0.12 0.95 0.42 -1.34 0.00 0.00 175.22 175.25 1l3g s ILE 19 N -0.97 4.72 0.00 -4.49 -1.09 -0.98 0.75 121.20 119.13 1l3g s ILE 19 Ca 0.05 2.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.50 1l3g s ILE 19 Cb -0.09 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1l3g s ILE 19 CO 0.03 0.24 0.00 1.57 -1.23 0.00 0.00 174.94 175.54 1l3g n HIS 20 N 3.40 0.00 -0.27 3.97 -0.00 3.24 -4.82 115.22 120.73 1l3g n HIS 20 Ca 0.04 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.15 1l3g n HIS 20 Cb 0.50 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.43 1l3g n HIS 20 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1l3g h SER 21 N 0.00 1.08 -0.58 0.26 0.02 -1.92 -1.79 113.55 110.61 1l3g h SER 21 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1l3g h SER 21 Cb 0.00 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1l3g h SER 21 CO 0.00 0.99 0.00 1.07 -1.14 0.00 0.00 176.83 177.75 1l3g n THR 22 N -4.27 0.77 0.00 -2.27 5.66 -1.26 -4.99 114.28 107.92 1l3g n THR 22 Ca 0.06 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.28 1l3g n THR 22 Cb 0.22 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1l3g n THR 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1l3g n GLY 23 N 1.44 1.35 3.73 1.09 0.00 -0.68 -4.89 105.19 107.23 1l3g n GLY 23 Ca 0.20 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1l3g n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1l3g s SER 24 N -4.00 7.21 -0.16 1.61 1.04 -1.17 0.69 113.70 118.92 1l3g s SER 24 Ca 0.00 2.03 -0.01 0.00 0.48 0.00 0.00 55.95 58.46 1l3g s SER 24 Cb 0.00 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 1l3g s SER 24 CO 0.00 -0.31 -0.13 -0.63 0.98 0.00 0.00 173.24 173.16 1l3g s ILE 25 N 0.27 2.89 -0.15 -1.02 -1.09 3.77 -4.50 121.20 121.38 1l3g s ILE 25 Ca 0.53 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1l3g s ILE 25 Cb -0.29 -2.24 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 1l3g s ILE 25 CO 0.33 0.50 -0.19 -0.32 -1.23 0.00 0.00 174.94 174.03 1l3g s MET 26 N 0.80 3.11 0.23 2.79 1.75 -1.13 -0.05 119.30 126.80 1l3g s MET 26 Ca -0.05 -0.80 0.03 0.00 -1.25 0.00 0.00 55.69 53.62 1l3g s MET 26 Cb -0.15 -2.54 -0.03 0.00 2.84 0.00 0.00 34.83 34.95 1l3g s MET 26 CO 0.01 -0.02 0.38 -1.59 -0.65 0.00 0.00 175.02 173.15 1l3g s LYS 27 N 0.86 3.46 -0.01 4.11 0.00 -1.13 -4.18 119.74 122.86 1l3g s LYS 27 Ca -0.05 -0.58 -0.25 0.00 0.00 0.00 0.00 55.97 55.09 1l3g s LYS 27 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 37.83 34.77 1l3g s LYS 27 CO -0.02 0.40 0.78 1.03 0.00 0.00 0.00 175.35 177.54 1l3g s ARG 28 N -3.75 4.49 0.23 1.78 3.00 0.10 -3.98 118.95 120.82 1l3g s ARG 28 Ca 0.36 1.06 -0.03 0.00 0.00 0.00 0.00 55.73 57.12 1l3g s ARG 28 Cb -0.10 -3.41 0.24 0.00 0.00 0.00 0.00 34.95 31.67 1l3g s ARG 28 CO 0.30 0.14 1.65 -0.22 0.00 0.00 0.00 175.30 177.17 1l3g h LYS 29 N 6.30 0.72 -0.18 3.54 3.11 -1.55 0.92 116.57 129.43 1l3g h LYS 29 Ca -0.42 -0.28 0.02 0.00 -2.81 0.00 0.00 60.65 57.16 1l3g h LYS 29 Cb 1.20 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.37 1l3g h LYS 29 CO 0.73 0.87 -0.17 0.87 -2.81 0.00 0.00 179.45 178.95 1l3g h LYS 30 N 0.63 -0.08 -0.16 1.90 1.57 -1.93 -3.01 116.57 115.49 1l3g h LYS 30 Ca 0.09 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1l3g h LYS 30 Cb 0.71 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1l3g h LYS 30 CO 0.05 -0.05 -0.20 -3.47 -0.57 0.00 0.00 179.45 175.21 1l3g n ASP 31 N -3.56 2.36 -3.95 0.86 -0.08 -1.24 -4.99 116.55 105.95 1l3g n ASP 31 Ca -0.01 -3.61 -0.39 0.00 -1.51 0.00 0.00 54.79 49.27 1l3g n ASP 31 Cb 0.09 -0.55 0.02 0.00 2.34 0.00 0.00 41.12 43.02 1l3g n ASP 31 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1l3g n ASP 32 N -1.11 -4.49 -4.96 1.67 2.03 0.32 -4.24 116.55 105.77 1l3g n ASP 32 Ca 0.24 -1.17 -0.23 0.00 0.52 0.00 0.00 54.79 54.15 1l3g n ASP 32 Cb 0.83 -1.85 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 1l3g n ASP 32 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1l3g s TRP 33 N -3.36 3.46 0.19 -0.67 0.52 -0.88 -1.26 118.94 116.94 1l3g s TRP 33 Ca 0.35 0.04 0.11 0.00 0.02 0.00 0.00 56.10 56.62 1l3g s TRP 33 Cb -0.18 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.48 1l3g s TRP 33 CO 0.94 0.48 -0.21 0.08 0.02 0.00 0.00 176.95 178.26 1l3g s VAL 34 N -1.87 2.55 -0.49 4.03 1.01 0.46 -0.72 120.40 125.37 1l3g s VAL 34 Ca 0.34 -1.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.13 1l3g s VAL 34 Cb -0.10 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 1l3g s VAL 34 CO 0.29 -0.11 2.38 0.21 0.00 0.00 0.00 175.10 177.87 1l3g s ASN 35 N -2.68 4.51 0.51 3.32 3.04 -1.23 0.29 114.94 122.69 1l3g s ASN 35 Ca 0.21 1.08 0.27 0.00 0.04 0.00 0.00 52.86 54.46 1l3g s ASN 35 Cb -0.08 -2.50 0.93 0.00 -1.54 0.00 0.00 41.25 38.06 1l3g s ASN 35 CO 0.11 -2.83 1.15 0.00 -3.04 0.00 0.00 177.10 172.49 1l3g n ALA 36 N 15.63 1.02 -0.21 1.71 0.00 0.87 0.16 120.51 139.69 1l3g n ALA 36 Ca 0.36 0.35 -0.06 0.00 0.00 0.00 0.00 53.44 54.09 1l3g n ALA 36 Cb 0.54 -0.61 0.04 0.00 0.00 0.00 0.00 19.45 19.42 1l3g n ALA 36 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1l3g h THR 37 N 0.00 1.16 0.00 0.00 2.02 -1.77 3.64 112.91 117.95 1l3g h THR 37 Ca 0.51 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 1l3g h THR 37 Cb 2.67 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1l3g h THR 37 CO -0.01 0.16 -0.16 -0.74 0.37 0.00 0.00 175.52 175.14 1l3g h HIS 38 N 0.83 0.00 0.00 3.16 6.17 0.12 2.64 115.15 128.07 1l3g h HIS 38 Ca 0.22 0.00 -0.23 0.00 0.71 0.00 0.00 60.37 61.07 1l3g h HIS 38 Cb -0.08 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 29.82 1l3g h HIS 38 CO -0.03 0.16 -1.28 -0.89 0.71 0.00 0.00 177.93 176.60 1l3g n ILE 39 N -3.91 1.53 -0.10 6.26 -0.00 -0.09 -3.42 119.36 119.63 1l3g n ILE 39 Ca -0.02 -0.03 -0.22 0.00 -0.00 0.00 0.00 62.75 62.48 1l3g n ILE 39 Cb 0.25 -2.05 -0.12 0.00 -0.00 0.00 0.00 39.64 37.72 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 -4.43 1.95 0.25 1.39 4.32 1.19 -4.02 117.00 117.65 1l3g n LEU 40 Ca -0.32 0.39 0.12 0.00 -0.02 0.00 0.00 56.01 56.18 1l3g n LEU 40 Cb 0.67 -0.97 0.66 0.00 -1.62 0.00 0.00 43.42 42.16 1l3g n LEU 40 CO 0.18 0.36 0.94 0.50 -1.22 0.00 0.00 177.39 178.14 1l3g h LYS 41 N -0.88 0.00 0.00 3.23 1.63 0.38 0.13 116.57 121.06 1l3g h LYS 41 Ca -0.38 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.41 1l3g h LYS 41 Cb 1.41 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.04 1l3g h LYS 41 CO -0.19 0.15 -0.05 0.00 -3.45 0.00 0.00 179.45 175.90 1l3g h ALA 42 N 1.85 1.04 -0.00 5.00 0.00 0.28 1.37 119.26 128.79 1l3g h ALA 42 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1l3g h ALA 42 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1l3g h ALA 42 CO 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 179.25 179.30 1l3g n ALA 43 N -2.13 2.50 -0.01 0.00 0.00 -0.60 -4.75 120.51 115.51 1l3g n ALA 43 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1l3g n ALA 43 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.05 0.00 0.00 0.00 0.23 -0.07 -5.10 115.26 110.37 1l3g n ASN 44 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1l3g n ASN 44 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1l3g n ASN 44 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1l3g n PHE 45 N 0.00 0.00 -3.09 -2.53 3.01 0.47 -4.72 117.46 110.60 1l3g n PHE 45 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.01 1l3g n PHE 45 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1l3g n PHE 45 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1l3g s ALA 46 N -2.28 3.59 0.00 4.37 0.00 -1.26 -4.25 121.76 121.93 1l3g s ALA 46 Ca 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 51.96 49.17 1l3g s ALA 46 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1l3g s ALA 46 CO 0.00 -2.63 0.00 1.17 0.00 0.00 0.00 175.76 174.30 1l3g n LYS 47 N 5.76 0.93 0.06 0.00 4.81 -1.26 -4.87 118.16 123.59 1l3g n LYS 47 Ca 0.13 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.78 1l3g n LYS 47 Cb 0.47 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.24 1l3g n LYS 47 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1l3g h ALA 48 N 1.00 2.20 0.06 3.14 0.00 -1.99 0.34 119.26 124.01 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 -0.76 -0.03 0.87 0.00 0.00 0.00 179.25 179.33 1l3g h LYS 49 N 0.00 -0.08 0.00 0.00 1.57 -1.93 -2.78 116.57 113.36 1l3g h LYS 49 Ca 0.23 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1l3g h LYS 49 Cb 1.26 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1l3g h LYS 49 CO -0.00 0.31 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.07 1l3g h ARG 50 N -0.48 0.00 -0.46 3.15 9.65 -0.56 0.79 114.38 126.48 1l3g h ARG 50 Ca -0.01 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 1l3g h ARG 50 Cb 0.42 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1l3g h ARG 50 CO 0.01 0.02 -0.09 1.79 2.80 0.00 0.00 179.97 184.50 1l3g h THR 51 N 0.00 1.26 0.00 0.20 1.35 -0.98 -1.51 112.91 113.23 1l3g h THR 51 Ca -0.00 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1l3g h THR 51 Cb 0.06 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1l3g h THR 51 CO 0.00 0.40 -0.71 -1.14 -0.25 0.00 0.00 175.52 173.83 1l3g n ARG 52 N -4.17 0.48 -0.28 4.72 0.63 -0.41 -2.94 116.66 114.70 1l3g n ARG 52 Ca 0.02 0.39 0.08 0.00 -0.92 0.00 0.00 57.85 57.42 1l3g n ARG 52 Cb 0.36 -1.57 0.21 0.00 0.45 0.00 0.00 32.46 31.91 1l3g n ARG 52 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1l3g h ILE 53 N -0.99 0.32 0.45 5.15 2.04 0.40 1.33 117.51 126.21 1l3g h ILE 53 Ca 0.00 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1l3g h ILE 53 Cb 0.71 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1l3g h ILE 53 CO 0.00 0.03 -0.22 -0.07 0.00 0.00 0.00 178.15 177.89 1l3g h LEU 54 N 0.14 -0.51 -0.65 1.44 4.07 -1.39 0.73 115.31 119.13 1l3g h LEU 54 Ca 0.47 -0.09 0.12 0.00 0.08 0.00 0.00 57.88 58.46 1l3g h LEU 54 Cb 0.88 0.13 -0.09 0.00 1.08 0.00 0.00 40.66 42.67 1l3g h LEU 54 CO -0.67 -0.12 0.20 -0.08 -1.08 0.00 0.00 178.44 176.69 1l3g h GLU 55 N -1.00 0.34 -0.12 1.13 4.57 -1.12 3.14 114.58 121.52 1l3g h GLU 55 Ca -0.06 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.90 1l3g h GLU 55 Cb 0.57 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1l3g h GLU 55 CO 0.10 0.23 -0.72 1.57 -1.18 0.00 0.00 179.01 179.00 1l3g h LYS 56 N 0.35 0.57 -0.03 1.92 2.10 0.17 2.38 116.57 124.03 1l3g h LYS 56 Ca 0.34 -0.45 -0.07 0.00 -2.00 0.00 0.00 60.65 58.47 1l3g h LYS 56 Cb 0.50 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1l3g h LYS 56 CO -0.38 1.08 -0.25 1.05 -2.00 0.00 0.00 179.45 178.94 1l3g h GLU 57 N 0.40 0.23 0.10 0.07 -0.00 0.20 -3.24 114.58 112.33 1l3g h GLU 57 Ca -0.03 -0.20 -0.28 0.00 -0.00 0.00 0.00 59.36 58.84 1l3g h GLU 57 Cb 1.32 0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 30.10 1l3g h GLU 57 CO 0.14 0.88 -1.49 -0.39 -0.00 0.00 0.00 179.01 178.15 1l3g h VAL 58 N -0.35 0.94 -0.94 -1.06 -1.51 0.56 -3.31 116.25 110.59 1l3g h VAL 58 Ca -0.02 -2.35 0.25 0.00 -1.23 0.00 0.00 66.70 63.34 1l3g h VAL 58 Cb 0.94 2.60 -0.17 0.00 -2.13 0.00 0.00 31.29 32.53 1l3g h VAL 58 CO 0.05 0.68 0.04 0.25 -1.23 0.00 0.00 177.57 177.36 1l3g h LEU 59 N -0.35 -0.42 -0.27 4.19 7.12 0.41 6.08 115.31 132.08 1l3g h LEU 59 Ca -0.33 0.26 0.00 0.00 0.13 0.00 0.00 57.88 57.94 1l3g h LEU 59 Cb 1.73 0.44 0.00 0.00 -0.53 0.00 0.00 40.66 42.30 1l3g h LEU 59 CO 0.02 -0.30 0.00 2.29 -0.13 0.00 0.00 178.44 180.32 1l3g n LYS 60 N -5.44 0.10 -0.05 1.25 2.85 -1.22 -4.73 118.16 110.91 1l3g n LYS 60 Ca 0.21 0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 1l3g n LYS 60 Cb 0.70 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1l3g n GLU 61 N -1.84 3.54 -2.01 -1.58 -0.58 1.97 -5.03 120.64 115.11 1l3g n GLU 61 Ca 0.03 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.40 1l3g n GLU 61 Cb 0.23 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.13 1l3g n GLU 61 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1l3g n THR 62 N -0.01 3.35 -1.85 2.62 -1.04 -1.24 -4.92 114.28 111.18 1l3g n THR 62 Ca 0.00 -4.38 -0.42 0.00 -2.04 0.00 0.00 64.05 57.22 1l3g n THR 62 Cb 0.00 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.24 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 -3.96 2.94 -0.13 -1.42 -3.43 -1.24 -4.73 115.29 103.32 1l3g s HIS 63 Ca 0.52 0.65 0.01 0.00 -0.80 0.00 0.00 55.06 55.43 1l3g s HIS 63 Cb 0.43 -4.00 -0.01 0.00 -1.43 0.00 0.00 32.58 27.57 1l3g s HIS 63 CO -0.36 -3.59 -0.16 -1.21 -2.00 0.00 0.00 174.74 167.43 1l3g s GLU 64 N 0.51 3.26 -0.38 -0.38 0.41 -1.23 -4.75 118.70 116.15 1l3g s GLU 64 Ca 0.68 -0.75 -0.21 0.00 -0.41 0.00 0.00 54.97 54.28 1l3g s GLU 64 Cb -0.46 -2.56 0.01 0.00 -1.78 0.00 0.00 34.13 29.34 1l3g s GLU 64 CO 0.37 0.14 0.68 -1.59 -0.49 0.00 0.00 175.26 174.38 1l3g s LYS 65 N 0.50 3.62 -0.13 1.61 0.00 0.05 -2.02 119.74 123.37 1l3g s LYS 65 Ca -0.11 0.04 -0.17 0.00 0.00 0.00 0.00 55.97 55.73 1l3g s LYS 65 Cb -0.16 -3.84 -0.04 0.00 0.00 0.00 0.00 37.83 33.79 1l3g s LYS 65 CO 0.05 -0.83 0.43 0.08 0.00 0.00 0.00 175.35 175.08 1l3g s VAL 66 N 2.86 5.22 0.06 1.79 1.01 0.10 -4.94 120.40 126.49 1l3g s VAL 66 Ca 0.26 0.85 -0.05 0.00 0.00 0.00 0.00 61.98 63.05 1l3g s VAL 66 Cb -0.14 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1l3g s VAL 66 CO 0.16 0.33 0.07 -1.58 0.00 0.00 0.00 175.10 174.09 1l3g s GLN 67 N 0.64 0.66 0.00 2.72 2.00 -1.26 -3.45 119.66 120.97 1l3g s GLN 67 Ca 0.24 -0.98 0.00 0.00 -2.00 0.00 0.00 55.36 52.61 1l3g s GLN 67 Cb -0.15 0.25 0.00 0.00 0.80 0.00 0.00 33.01 33.92 1l3g s GLN 67 CO 0.09 -0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.12 1l3g n GLY 68 N 0.31 0.66 0.00 2.59 0.00 -1.26 -3.90 105.19 103.59 1l3g n GLY 68 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.02 0.54 2.89 -0.02 0.00 -1.26 -5.00 105.19 100.31 1l3g n GLY 69 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1l3g n GLY 69 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1l3g n PHE 70 N -1.85 2.48 -0.55 1.61 1.16 -1.25 -4.51 117.46 114.55 1l3g n PHE 70 Ca 0.00 -2.76 0.00 0.00 -1.87 0.00 0.00 57.45 52.82 1l3g n PHE 70 Cb 0.00 -1.15 0.00 0.00 -1.61 0.00 0.00 39.48 36.72 1l3g n PHE 70 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1l3g n GLY 71 N 1.03 1.03 0.16 4.97 0.00 -1.26 -4.41 105.19 106.70 1l3g n GLY 71 Ca 0.30 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1l3g n GLY 71 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1l3g h LYS 72 N 0.00 0.00 0.00 1.61 -0.00 -1.79 -1.88 116.57 114.51 1l3g h LYS 72 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.60 1l3g h LYS 72 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.39 1l3g h LYS 72 CO 0.00 0.00 -0.23 1.88 -0.00 0.00 0.00 179.45 181.10 1l3g h TYR 73 N 0.00 0.00 0.04 0.07 0.05 -1.85 -3.28 116.97 112.00 1l3g h TYR 73 Ca 0.00 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.44 1l3g h TYR 73 Cb 0.50 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 1l3g h TYR 73 CO 0.00 0.23 -1.94 1.04 -1.05 0.00 0.00 178.16 176.45 1l3g n GLN 74 N -3.28 0.64 0.00 4.88 3.00 -0.79 -4.80 117.38 117.04 1l3g n GLN 74 Ca 0.01 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1l3g n GLN 74 Cb 0.50 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.09 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 1.69 2.08 3.26 1.08 0.00 -0.78 -4.44 105.19 108.09 1l3g n GLY 75 Ca -0.39 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1l3g n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l3g s THR 76 N 0.00 3.62 0.22 2.61 -4.23 -0.86 0.00 115.64 117.01 1l3g s THR 76 Ca 0.00 -1.13 -0.24 0.00 -1.18 0.00 0.00 61.69 59.13 1l3g s THR 76 Cb 0.00 -3.03 -0.09 0.00 1.34 0.00 0.00 72.50 70.72 1l3g s THR 76 CO 0.00 -0.13 0.81 0.26 -0.54 0.00 0.00 174.62 175.03 1l3g s TRP 77 N 1.38 3.79 0.05 3.99 0.51 -0.85 0.30 118.94 128.11 1l3g s TRP 77 Ca -0.02 1.62 0.07 0.00 -2.12 0.00 0.00 56.10 55.65 1l3g s TRP 77 Cb -0.19 -2.78 -0.03 0.00 -0.81 0.00 0.00 33.47 29.66 1l3g s TRP 77 CO 0.02 0.39 -0.18 0.14 -0.51 0.00 0.00 176.95 176.80 1l3g s VAL 78 N -1.37 1.49 -0.28 4.03 -7.23 0.82 -3.47 120.40 114.39 1l3g s VAL 78 Ca 0.42 -1.21 -0.36 0.00 -1.81 0.00 0.00 61.98 59.01 1l3g s VAL 78 Cb -0.21 -1.32 -0.12 0.00 0.56 0.00 0.00 36.38 35.29 1l3g s VAL 78 CO 0.25 0.08 2.02 -2.65 -0.31 0.00 0.00 175.10 174.48 1l3g n PRO 79 N 1.69 1.31 -0.31 4.82 -0.02 -1.26 0.17 135.00 141.41 1l3g n PRO 79 Ca -0.18 0.42 0.25 0.00 -2.02 0.00 0.00 63.50 61.97 1l3g n PRO 79 Cb 0.54 -2.41 0.56 0.00 -0.02 0.00 0.00 33.50 32.17 1l3g n PRO 79 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1l3g h LEU 80 N 10.50 0.34 -1.41 2.45 4.07 -1.35 4.21 115.31 134.12 1l3g h LEU 80 Ca -0.36 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.62 1l3g h LEU 80 Cb 1.31 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 1l3g h LEU 80 CO 0.99 0.07 -0.07 -1.13 -1.08 0.00 0.00 178.44 177.22 1l3g h ASN 81 N 0.31 0.28 0.00 -0.43 -0.00 -1.86 -1.73 115.58 112.14 1l3g h ASN 81 Ca 0.57 -0.05 -0.26 0.00 -0.00 0.00 0.00 56.30 56.56 1l3g h ASN 81 Cb 1.61 -0.07 -0.05 0.00 -0.00 0.00 0.00 38.32 39.81 1l3g h ASN 81 CO -0.22 0.39 -1.99 0.00 -0.00 0.00 0.00 177.43 175.61 1l3g n ILE 82 N -4.30 0.99 0.36 2.57 3.06 0.23 -3.93 119.36 118.33 1l3g n ILE 82 Ca -0.00 -0.50 -0.16 0.00 -2.50 0.00 0.00 62.75 59.58 1l3g n ILE 82 Cb 0.24 -0.85 -0.08 0.00 0.54 0.00 0.00 39.64 39.48 1l3g n ILE 82 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1l3g h ALA 83 N 0.38 -0.93 -0.17 1.51 0.00 0.78 -0.89 119.26 119.94 1l3g h ALA 83 Ca -0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1l3g h ALA 83 Cb 1.76 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1l3g h ALA 83 CO -0.02 -0.93 -0.05 0.87 0.00 0.00 0.00 179.25 179.12 1l3g h LYS 84 N -1.12 0.25 0.00 0.00 1.57 -1.46 -1.06 116.57 114.75 1l3g h LYS 84 Ca -0.10 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1l3g h LYS 84 Cb 0.75 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1l3g h LYS 84 CO 0.16 0.31 -0.25 0.37 -0.57 0.00 0.00 179.45 179.47 1l3g h GLN 85 N 0.24 0.00 0.11 3.15 4.15 -1.62 0.92 115.11 122.06 1l3g h GLN 85 Ca 0.05 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.25 1l3g h GLN 85 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1l3g h GLN 85 CO 0.01 0.25 -1.11 1.25 -1.93 0.00 0.00 178.83 177.30 1l3g h LEU 86 N 0.00 0.35 0.00 -2.39 6.46 0.04 -3.36 115.31 116.41 1l3g h LEU 86 Ca -0.00 -0.87 0.00 0.00 -0.12 0.00 0.00 57.88 56.89 1l3g h LEU 86 Cb 0.62 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1l3g h LEU 86 CO 0.03 1.49 -0.35 0.00 -0.62 0.00 0.00 178.44 179.00 1l3g h ALA 87 N -0.03 0.00 -0.53 1.25 0.00 -1.18 -3.35 119.26 115.42 1l3g h ALA 87 Ca -0.23 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 54.48 1l3g h ALA 87 Cb 1.64 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1l3g h ALA 87 CO 0.06 0.35 0.80 -0.85 0.00 0.00 0.00 179.25 179.61 1l3g n GLU 88 N -4.60 0.01 0.00 0.00 0.28 0.32 -0.77 120.64 115.88 1l3g n GLU 88 Ca -0.05 0.69 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 1l3g n GLU 88 Cb 0.18 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.31 1l3g n GLU 88 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1l3g n LYS 89 N -2.43 0.00 -0.00 3.44 4.76 -1.25 -3.48 118.16 119.20 1l3g n LYS 89 Ca 0.12 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.62 1l3g n LYS 89 Cb 0.96 -0.07 0.05 0.00 -1.84 0.00 0.00 35.03 34.14 1l3g n LYS 89 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1l3g n PHE 90 N 0.00 0.01 0.00 2.13 -1.74 -1.07 -4.11 117.46 112.68 1l3g n PHE 90 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 1l3g n PHE 90 Cb 0.00 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1l3g n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1l3g n SER 91 N 0.68 0.00 -0.04 5.98 2.88 0.05 -4.68 113.62 118.49 1l3g n SER 91 Ca 0.07 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1l3g n SER 91 Cb 0.30 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.50 1l3g n SER 91 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1l3g n VAL 92 N -1.30 0.37 -0.31 2.46 0.31 -0.87 -4.50 118.33 114.48 1l3g n VAL 92 Ca 0.00 -0.68 0.26 0.00 -0.01 0.00 0.00 64.34 63.91 1l3g n VAL 92 Cb 0.00 0.83 0.40 0.00 -0.91 0.00 0.00 33.84 34.16 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 -0.13 0.00 -0.08 3.52 4.11 -1.03 0.03 117.16 123.58 1l3g n TYR 93 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.83 1l3g n TYR 93 Cb 0.11 -0.24 -0.03 0.00 -0.00 0.00 0.00 39.34 39.18 1l3g n TYR 93 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1l3g n ASP 94 N -2.88 1.82 -0.09 9.48 -0.08 -1.26 -4.15 116.55 119.39 1l3g n ASP 94 Ca 0.22 0.59 0.13 0.00 -1.51 0.00 0.00 54.79 54.22 1l3g n ASP 94 Cb 1.11 -0.88 0.51 0.00 2.34 0.00 0.00 41.12 44.20 1l3g n ASP 94 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1l3g h GLN 95 N -1.00 0.38 -1.15 -0.67 4.20 -0.74 -0.81 115.11 115.32 1l3g h GLN 95 Ca -0.05 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.38 1l3g h GLN 95 Cb 0.64 -0.09 -0.14 0.00 0.30 0.00 0.00 27.48 28.20 1l3g h GLN 95 CO -0.03 0.25 0.32 1.28 -0.67 0.00 0.00 178.83 179.98 1l3g n LEU 96 N -4.47 5.16 0.23 1.46 4.77 0.42 -4.53 117.00 120.03 1l3g n LEU 96 Ca 0.10 -2.67 -0.17 0.00 -0.03 0.00 0.00 56.01 53.24 1l3g n LEU 96 Cb 0.40 -0.77 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1l3g n LEU 96 CO 0.34 0.88 0.54 0.50 -1.33 0.00 0.00 177.39 178.32 1l3g h LYS 97 N 0.73 -0.86 0.66 3.23 3.64 -1.30 -0.22 116.57 122.44 1l3g h LYS 97 Ca 0.28 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1l3g h LYS 97 Cb 1.58 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1l3g h LYS 97 CO 0.56 -0.57 -0.32 -1.00 -2.27 0.00 0.00 179.45 175.84 1l3g h PRO 98 N -0.89 -0.86 -1.00 1.90 0.13 -1.80 -1.68 132.00 127.80 1l3g h PRO 98 Ca -0.04 0.06 0.39 0.00 -0.87 0.00 0.00 66.00 65.55 1l3g h PRO 98 Cb 0.81 0.19 -0.18 0.00 0.13 0.00 0.00 31.00 31.96 1l3g h PRO 98 CO -0.13 -0.55 0.48 1.25 -0.23 0.00 0.00 178.00 178.82 1l3g h LEU 99 N -1.20 0.24 -0.33 1.56 6.46 -1.65 1.52 115.31 121.92 1l3g h LEU 99 Ca -0.09 0.26 -0.20 0.00 -0.12 0.00 0.00 57.88 57.73 1l3g h LEU 99 Cb 0.70 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.91 1l3g h LEU 99 CO 0.15 -0.40 -0.80 -0.26 -0.62 0.00 0.00 178.44 176.51 1l3g h PHE 100 N 0.03 0.56 -0.07 1.25 -1.00 -0.92 -3.10 116.94 113.69 1l3g h PHE 100 Ca 0.81 -0.27 -0.04 0.00 2.81 0.00 0.00 57.97 61.28 1l3g h PHE 100 Cb 2.08 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 41.55 1l3g h PHE 100 CO -0.07 1.05 -0.14 -0.44 -1.61 0.00 0.00 178.31 177.10 1l3g h ASP 101 N 0.26 0.10 -4.11 2.17 3.32 0.31 -3.49 116.42 114.98 1l3g h ASP 101 Ca -0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1l3g h ASP 101 Cb 1.40 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1l3g h ASP 101 CO 0.14 0.26 -0.44 0.33 -1.72 0.00 0.00 179.24 177.81 1l3g n PHE 102 N -4.32 -2.19 -2.75 4.55 7.35 -0.40 -4.71 117.46 114.99 1l3g n PHE 102 Ca -0.02 1.14 -0.43 0.00 -0.76 0.00 0.00 57.45 57.38 1l3g n PHE 102 Cb 0.24 -2.45 -0.01 0.00 0.35 0.00 0.00 39.48 37.61 1l3g n PHE 102 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1l3g s THR 103 N -1.66 4.50 0.46 -2.13 2.01 -1.26 -4.99 115.64 112.57 1l3g s THR 103 Ca 0.00 -1.99 -0.05 0.00 0.31 0.00 0.00 61.69 59.96 1l3g s THR 103 Cb 0.00 -5.03 -0.04 0.00 0.01 0.00 0.00 72.50 67.44 1l3g s THR 103 CO 0.00 -1.81 0.75 0.00 -0.69 0.00 0.00 174.62 172.87 1l3g s GLN 104 N 3.18 3.55 0.59 4.92 -2.07 -1.26 -5.04 119.66 123.52 1l3g s GLN 104 Ca 0.46 0.14 -0.19 0.00 -1.82 0.00 0.00 55.36 53.96 1l3g s GLN 104 Cb -0.00 -2.42 -0.04 0.00 -1.09 0.00 0.00 33.01 29.46 1l3g s GLN 104 CO 0.01 -0.14 1.19 -0.08 -1.32 0.00 0.00 175.29 174.94 1l3g s THR 105 N -2.66 2.76 -0.67 3.63 -1.32 -1.26 -4.87 115.64 111.26 1l3g s THR 105 Ca 0.46 0.46 0.00 0.00 -1.21 0.00 0.00 61.69 61.41 1l3g s THR 105 Cb -0.10 -3.17 0.02 0.00 -1.51 0.00 0.00 72.50 67.74 1l3g s THR 105 CO 0.43 -0.11 0.69 0.47 -2.21 0.00 0.00 174.62 173.88 1l3g n ASP 106 N -1.61 1.72 0.00 8.08 9.92 -1.26 -4.71 116.55 128.69 1l3g n ASP 106 Ca 0.13 -2.02 0.00 0.00 -0.53 0.00 0.00 54.79 52.37 1l3g n ASP 106 Cb 0.50 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l3g n GLY 107 N 0.16 1.84 3.95 0.44 0.00 -1.26 -5.05 105.19 105.28 1l3g n GLY 107 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.83 5.25 0.15 1.61 1.04 -1.26 -4.97 113.70 113.69 1l3g s SER 108 Ca 0.00 0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.53 1l3g s SER 108 Cb 0.00 -1.09 -0.08 0.00 0.10 0.00 0.00 66.02 64.94 1l3g s SER 108 CO 0.00 -1.20 0.15 0.00 0.98 0.00 0.00 173.24 173.16 1l3g n ALA 109 N -2.49 -2.05 -2.08 5.32 0.00 -1.26 -4.58 120.51 113.38 1l3g n ALA 109 Ca 0.07 0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 1l3g n ALA 109 Cb 0.59 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.49 5.32 0.60 0.00 0.15 -1.26 -4.88 113.70 113.14 1l3g s SER 110 Ca 0.30 0.20 -0.18 0.00 0.70 0.00 0.00 55.95 56.97 1l3g s SER 110 Cb -0.38 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.36 1l3g s SER 110 CO 0.29 -2.37 1.17 -2.16 1.20 0.00 0.00 173.24 171.38 1l3g s PRO 111 N 6.95 2.97 0.41 5.44 0.04 -1.26 -4.96 135.00 144.58 1l3g s PRO 111 Ca 0.65 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 63.14 1l3g s PRO 111 Cb -0.12 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1l3g s PRO 111 CO 0.19 -1.18 1.28 -1.25 0.04 0.00 0.00 177.00 176.08 1l3g s PRO 112 N -3.48 3.95 0.00 0.56 0.04 -1.26 -5.02 135.00 129.79 1l3g s PRO 112 Ca 0.75 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1l3g s PRO 112 Cb -0.27 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1l3g s PRO 112 CO 0.34 -0.49 0.00 -0.35 0.04 0.00 0.00 177.00 176.53 1l3g n PRO 113 N 0.07 0.00 -0.69 0.56 -0.04 -1.26 -4.87 135.00 128.77 1l3g n PRO 113 Ca 0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1l3g n PRO 113 Cb 0.44 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.04 1l3g n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l3g n ALA 114 N -3.00 -3.56 -1.47 0.55 0.00 -1.26 -4.88 120.51 106.89 1l3g n ALA 114 Ca 0.00 -1.25 -0.34 0.00 0.00 0.00 0.00 53.44 51.85 1l3g n ALA 114 Cb 0.00 -1.23 0.07 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.21 2.48 0.44 0.00 0.04 -1.26 -4.89 135.00 128.60 1l3g s PRO 115 Ca 0.48 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 1l3g s PRO 115 Cb -0.06 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1l3g s PRO 115 CO 0.58 -1.55 -0.33 1.63 0.04 0.00 0.00 177.00 177.37 1l3g n LYS 116 N -2.42 0.00 -1.86 4.56 4.01 -1.26 -4.80 118.16 116.39 1l3g n LYS 116 Ca 0.13 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.59 1l3g n LYS 116 Cb 0.51 -0.48 0.04 0.00 -0.51 0.00 0.00 35.03 34.58 1l3g n LYS 116 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 1l3g s HIS 117 N -0.97 2.67 0.93 2.13 -3.43 -1.26 -4.96 115.29 110.40 1l3g s HIS 117 Ca 0.21 1.55 -0.14 0.00 -0.80 0.00 0.00 55.06 55.87 1l3g s HIS 117 Cb -0.12 -3.17 -0.03 0.00 -1.43 0.00 0.00 32.58 27.84 1l3g s HIS 117 CO 0.39 -1.61 0.05 0.72 -2.00 0.00 0.00 174.74 172.29 1l3g n HIS 118 N -2.21 -2.54 -3.95 0.38 -0.00 -1.26 -4.97 115.22 100.67 1l3g n HIS 118 Ca 0.10 0.17 -0.30 0.00 -0.00 0.00 0.00 57.72 57.69 1l3g n HIS 118 Cb 0.52 -1.69 -0.04 0.00 -0.00 0.00 0.00 29.99 28.78 1l3g n HIS 118 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1l3g s HIS 119 N -2.22 3.45 0.33 4.41 0.09 -1.26 -5.05 115.29 115.03 1l3g s HIS 119 Ca 0.53 0.20 -0.29 0.00 -0.00 0.00 0.00 55.06 55.49 1l3g s HIS 119 Cb -0.22 -1.72 -0.12 0.00 -0.00 0.00 0.00 32.58 30.52 1l3g s HIS 119 CO 0.71 0.57 1.40 0.00 -0.00 0.00 0.00 174.74 177.42 1l3g n ALA 120 N 0.19 1.73 -3.47 -1.40 0.00 -1.26 -4.95 120.51 111.35 1l3g n ALA 120 Ca -0.06 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1l3g n ALA 120 Cb 0.52 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.55 1l3g n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1l3g s SER 121 N -0.05 5.77 -0.61 0.00 0.01 -1.26 -5.03 113.70 112.53 1l3g s SER 121 Ca 0.58 -1.83 -0.16 0.00 1.31 0.00 0.00 55.95 55.85 1l3g s SER 121 Cb -0.55 -2.04 0.14 0.00 0.21 0.00 0.00 66.02 63.79 1l3g s SER 121 CO 0.59 -0.69 0.60 -0.54 0.41 0.00 0.00 173.24 173.60 1l3g s LYS 122 N 1.41 3.13 -0.32 12.44 3.01 -1.26 -5.03 119.74 133.11 1l3g s LYS 122 Ca 0.05 -1.79 -0.12 0.00 -1.01 0.00 0.00 55.97 53.11 1l3g s LYS 122 Cb -0.26 -4.33 -0.02 0.00 -1.01 0.00 0.00 37.83 32.20 1l3g s LYS 122 CO 0.00 -1.37 0.21 0.08 0.51 0.00 0.00 175.35 174.78 1l3g s VAL 123 N 1.54 5.09 -2.65 3.17 1.01 -1.26 -5.34 120.40 121.96 1l3g s VAL 123 Ca 0.08 -0.20 0.27 0.00 0.00 0.00 0.00 61.98 62.12 1l3g s VAL 123 Cb -0.25 -3.57 0.44 0.00 0.00 0.00 0.00 36.38 33.00 1l3g s VAL 123 CO 0.01 0.06 1.60 -0.67 0.00 0.00 0.00 175.10 176.10