#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 -4.56 6.43 3.02 -1.25 -3.92 115.26 115.28 1l3g n ASN 3 Ca 0.00 0.14 -0.28 0.00 -0.03 0.00 0.00 54.58 54.41 1l3g n ASN 3 Cb 0.00 0.81 -0.10 0.00 -0.61 0.00 0.00 39.78 39.88 1l3g n ASN 3 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1l3g s GLN 4 N -2.73 2.02 -0.12 3.52 -0.21 -1.26 -4.00 119.66 116.88 1l3g s GLN 4 Ca -0.08 -1.18 0.01 0.00 0.02 0.00 0.00 55.36 54.14 1l3g s GLN 4 Cb 0.08 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.89 1l3g s GLN 4 CO 0.84 0.46 -0.17 0.42 -2.12 0.00 0.00 175.29 174.72 1l3g s ILE 5 N -1.45 2.67 -0.03 1.08 1.09 -1.26 -4.44 121.20 118.86 1l3g s ILE 5 Ca 0.22 -0.80 0.06 0.00 -1.10 0.00 0.00 60.65 59.04 1l3g s ILE 5 Cb -0.10 -2.09 -0.01 0.00 -1.06 0.00 0.00 42.46 39.20 1l3g s ILE 5 CO 0.14 0.54 -0.22 -0.31 -0.10 0.00 0.00 174.94 174.99 1l3g s TYR 6 N 0.39 2.00 0.15 3.97 2.02 -1.06 -4.73 117.35 120.08 1l3g s TYR 6 Ca -0.13 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.08 1l3g s TYR 6 Cb -0.17 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.04 1l3g s TYR 6 CO 0.06 -0.09 0.36 -1.12 -1.57 0.00 0.00 175.55 173.20 1l3g s SER 7 N -0.36 6.46 0.09 2.29 0.01 -1.26 0.01 113.70 120.94 1l3g s SER 7 Ca 0.04 0.53 -0.13 0.00 1.31 0.00 0.00 55.95 57.70 1l3g s SER 7 Cb -0.10 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.08 1l3g s SER 7 CO 0.00 0.04 0.30 0.00 0.41 0.00 0.00 173.24 173.99 1l3g s ALA 8 N -1.69 -0.60 -0.23 1.44 0.00 0.46 -1.04 121.76 120.09 1l3g s ALA 8 Ca 0.40 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1l3g s ALA 8 Cb -0.12 0.54 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1l3g s ALA 8 CO 0.26 -0.54 -0.13 -0.98 0.00 0.00 0.00 175.76 174.36 1l3g s ARG 9 N -3.58 2.59 0.04 0.00 1.04 -1.26 0.32 118.95 118.11 1l3g s ARG 9 Ca 0.02 -1.11 -0.07 0.00 -1.04 0.00 0.00 55.73 53.53 1l3g s ARG 9 Cb 0.03 -2.80 -0.01 0.00 -2.04 0.00 0.00 34.95 30.13 1l3g s ARG 9 CO -0.10 -0.42 0.12 0.71 -0.04 0.00 0.00 175.30 175.57 1l3g s TYR 10 N 1.20 0.18 -1.46 5.89 1.51 0.36 -4.86 117.35 120.17 1l3g s TYR 10 Ca -0.03 -0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 55.46 1l3g s TYR 10 Cb -0.17 -0.12 0.04 0.00 -0.11 0.00 0.00 41.96 41.60 1l3g s TYR 10 CO -0.08 -0.40 0.78 -1.13 -1.11 0.00 0.00 175.55 173.62 1l3g n SER 11 N 0.65 -5.30 0.00 2.29 3.41 -1.26 -0.22 113.62 113.18 1l3g n SER 11 Ca -0.18 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1l3g n SER 11 Cb 0.59 -4.26 0.00 0.00 -0.26 0.00 0.00 64.21 60.28 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 -1.58 1.75 3.14 5.00 0.00 -1.26 -4.92 105.19 107.33 1l3g n GLY 12 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.86 1.44 0.64 1.61 1.01 0.70 -5.13 120.40 118.81 1l3g s VAL 13 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1l3g s VAL 13 Cb 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1l3g s VAL 13 CO 0.00 0.41 1.03 1.51 0.00 0.00 0.00 175.10 178.06 1l3g s ASP 14 N -0.04 5.87 0.35 3.32 -4.77 -1.26 -0.49 116.67 119.66 1l3g s ASP 14 Ca -0.02 1.23 -0.02 0.00 -3.30 0.00 0.00 52.55 50.44 1l3g s ASP 14 Cb -0.11 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.54 1l3g s ASP 14 CO 0.02 -1.06 0.47 0.68 0.70 0.00 0.00 175.17 175.98 1l3g s VAL 15 N -3.22 0.00 -0.02 2.11 -7.23 0.98 -0.92 120.40 112.11 1l3g s VAL 15 Ca 0.56 -1.62 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1l3g s VAL 15 Cb -0.11 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1l3g s VAL 15 CO 0.52 0.00 -0.23 -0.72 -0.31 0.00 0.00 175.10 174.36 1l3g s TYR 16 N -3.04 2.06 -0.13 2.82 -0.85 -0.92 0.17 117.35 117.47 1l3g s TYR 16 Ca 0.31 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 1l3g s TYR 16 Cb -0.00 -1.32 0.01 0.00 0.38 0.00 0.00 41.96 41.02 1l3g s TYR 16 CO 0.21 -0.03 -0.22 -1.83 -1.52 0.00 0.00 175.55 172.15 1l3g s GLU 17 N -0.55 2.99 -0.01 -3.49 -1.05 0.10 0.08 118.70 116.77 1l3g s GLU 17 Ca 0.09 -0.85 0.02 0.00 -0.15 0.00 0.00 54.97 54.08 1l3g s GLU 17 Cb -0.09 -2.36 -0.00 0.00 -0.44 0.00 0.00 34.13 31.24 1l3g s GLU 17 CO -0.01 0.05 -0.07 -0.06 0.95 0.00 0.00 175.26 176.12 1l3g s PHE 18 N 0.67 0.66 0.11 4.83 0.08 1.04 -2.56 117.98 122.80 1l3g s PHE 18 Ca -0.11 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.51 1l3g s PHE 18 Cb -0.16 -0.45 -0.06 0.00 -0.57 0.00 0.00 43.02 41.78 1l3g s PHE 18 CO 0.02 -0.04 1.01 0.42 -0.10 0.00 0.00 175.22 176.53 1l3g s ILE 19 N -0.01 4.36 0.00 0.64 1.09 -1.19 1.04 121.20 127.13 1l3g s ILE 19 Ca 0.00 1.92 0.00 0.00 -1.10 0.00 0.00 60.65 61.47 1l3g s ILE 19 Cb -0.05 -4.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.13 1l3g s ILE 19 CO -0.00 0.28 0.00 1.57 -0.10 0.00 0.00 174.94 176.68 1l3g n HIS 20 N 2.89 0.00 0.09 3.97 -0.00 2.71 1.07 115.22 125.95 1l3g n HIS 20 Ca 0.03 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.22 1l3g n HIS 20 Cb 0.48 0.00 0.33 0.00 -0.12 0.00 0.00 29.99 30.68 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 0.28 -0.47 0.26 0.87 -1.88 -1.75 113.55 110.86 1l3g h SER 21 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1l3g h SER 21 Cb 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1l3g h SER 21 CO 0.00 0.49 0.00 1.07 -0.53 0.00 0.00 176.83 177.86 1l3g n THR 22 N -4.21 1.65 0.00 2.23 5.66 -1.26 -5.00 114.28 113.35 1l3g n THR 22 Ca -0.01 -0.95 0.00 0.00 -3.05 0.00 0.00 64.05 60.04 1l3g n THR 22 Cb 0.32 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 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 0.76 1.24 3.88 1.09 0.00 -0.66 -4.88 105.19 106.61 1l3g n GLY 23 Ca 0.20 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 6.19 -0.16 1.61 1.04 -1.25 0.62 113.70 117.76 1l3g s SER 24 Ca 0.00 0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.71 1l3g s SER 24 Cb 0.00 -1.90 -0.00 0.00 0.10 0.00 0.00 66.02 64.22 1l3g s SER 24 CO 0.00 0.24 -0.14 -0.63 0.98 0.00 0.00 173.24 173.69 1l3g s ILE 25 N -1.34 2.76 0.41 -1.02 -1.09 7.20 -4.52 121.20 123.61 1l3g s ILE 25 Ca 0.28 -0.74 0.08 0.00 -2.23 0.00 0.00 60.65 58.04 1l3g s ILE 25 Cb -0.13 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 1l3g s ILE 25 CO 0.20 0.51 0.52 -0.32 -1.23 0.00 0.00 174.94 174.61 1l3g s MET 26 N 0.79 2.79 -0.04 2.79 1.75 -0.96 0.34 119.30 126.76 1l3g s MET 26 Ca -0.05 -1.28 -0.15 0.00 -1.25 0.00 0.00 55.69 52.95 1l3g s MET 26 Cb -0.15 -2.68 0.03 0.00 2.84 0.00 0.00 34.83 34.86 1l3g s MET 26 CO 0.00 -0.22 0.34 0.21 -0.65 0.00 0.00 175.02 174.70 1l3g s LYS 27 N -4.29 0.65 -0.02 4.11 2.20 0.11 -3.04 119.74 119.47 1l3g s LYS 27 Ca 0.53 -0.06 -0.24 0.00 -0.36 0.00 0.00 55.97 55.84 1l3g s LYS 27 Cb -0.08 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1l3g s LYS 27 CO 0.32 -0.17 0.72 0.50 -0.36 0.00 0.00 175.35 176.36 1l3g s ARG 28 N -1.08 4.45 0.17 4.03 6.06 -0.91 -2.16 118.95 129.51 1l3g s ARG 28 Ca -0.11 0.95 -0.09 0.00 -2.50 0.00 0.00 55.73 53.97 1l3g s ARG 28 Cb -0.05 -3.41 0.04 0.00 0.06 0.00 0.00 34.95 31.60 1l3g s ARG 28 CO 0.04 0.16 1.57 0.87 -2.50 0.00 0.00 175.30 175.43 1l3g h LYS 29 N 6.31 0.96 -0.31 5.12 1.79 -1.36 1.59 116.57 130.67 1l3g h LYS 29 Ca -0.42 -0.41 0.03 0.00 -2.18 0.00 0.00 60.65 57.67 1l3g h LYS 29 Cb 1.20 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 1l3g h LYS 29 CO 0.73 1.07 -0.30 0.87 -1.08 0.00 0.00 179.45 180.75 1l3g h LYS 30 N 0.83 -0.14 -0.13 3.15 1.79 -1.93 -3.03 116.57 117.11 1l3g h LYS 30 Ca 0.11 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1l3g h LYS 30 Cb 0.78 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1l3g h LYS 30 CO 0.06 -0.09 0.00 -3.47 -1.08 0.00 0.00 179.45 174.87 1l3g n ASP 31 N -4.13 2.87 -3.72 0.86 -0.08 -1.24 -4.98 116.55 106.12 1l3g n ASP 31 Ca -0.01 -2.74 -0.23 0.00 -1.51 0.00 0.00 54.79 50.30 1l3g n ASP 31 Cb 0.17 -0.37 0.03 0.00 2.34 0.00 0.00 41.12 43.28 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 -0.72 -1.60 -4.80 1.67 8.00 0.54 -3.51 116.55 116.13 1l3g n ASP 32 Ca 0.14 -0.87 -0.31 0.00 0.71 0.00 0.00 54.79 54.46 1l3g n ASP 32 Cb 0.63 -3.86 0.05 0.00 -0.02 0.00 0.00 41.12 37.92 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 -3.69 2.95 0.04 1.24 0.52 -0.83 -1.87 118.94 117.30 1l3g s TRP 33 Ca 0.06 1.47 0.05 0.00 0.02 0.00 0.00 56.10 57.71 1l3g s TRP 33 Cb -0.02 -2.95 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1l3g s TRP 33 CO 0.83 -1.37 -0.15 0.08 0.02 0.00 0.00 176.95 176.36 1l3g s VAL 34 N -2.90 1.21 -0.56 4.03 1.01 0.34 -2.14 120.40 121.39 1l3g s VAL 34 Ca 0.60 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 1l3g s VAL 34 Cb -0.15 -1.09 -0.06 0.00 0.00 0.00 0.00 36.38 35.08 1l3g s VAL 34 CO 0.52 0.04 2.27 0.54 0.00 0.00 0.00 175.10 178.48 1l3g s ASN 35 N -1.14 4.58 0.60 3.32 4.22 -1.17 0.31 114.94 125.66 1l3g s ASN 35 Ca 0.03 0.76 0.32 0.00 -2.14 0.00 0.00 52.86 51.82 1l3g s ASN 35 Cb -0.08 -2.51 1.09 0.00 1.28 0.00 0.00 41.25 41.03 1l3g s ASN 35 CO 0.01 -2.87 1.35 0.00 -2.04 0.00 0.00 177.10 173.56 1l3g n ALA 36 N 15.45 1.20 -0.18 3.54 0.00 1.46 0.10 120.51 142.08 1l3g n ALA 36 Ca 0.34 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 54.12 1l3g n ALA 36 Cb 0.53 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.29 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 1.14 0.00 0.00 2.02 -1.84 4.72 112.91 118.96 1l3g h THR 37 Ca 0.59 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 67.43 1l3g h THR 37 Cb 3.13 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1l3g h THR 37 CO -0.01 0.14 -0.27 1.12 0.37 0.00 0.00 175.52 176.88 1l3g h HIS 38 N 0.71 0.00 0.00 3.16 -0.00 0.33 6.03 115.15 125.38 1l3g h HIS 38 Ca 0.19 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.38 1l3g h HIS 38 Cb -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 1l3g h HIS 38 CO -0.03 0.27 -1.11 -0.89 -0.00 0.00 0.00 177.93 176.16 1l3g n ILE 39 N -3.91 1.50 -0.10 6.12 -0.00 -0.38 -3.49 119.36 119.10 1l3g n ILE 39 Ca -0.02 0.03 -0.21 0.00 -0.00 0.00 0.00 62.75 62.55 1l3g n ILE 39 Cb 0.35 -2.13 -0.11 0.00 -0.00 0.00 0.00 39.64 37.75 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 -4.47 1.86 0.25 1.39 7.99 1.54 -3.98 117.00 121.57 1l3g n LEU 40 Ca -0.26 0.43 0.12 0.00 -0.01 0.00 0.00 56.01 56.28 1l3g n LEU 40 Cb 0.58 -0.95 0.65 0.00 -0.11 0.00 0.00 43.42 43.59 1l3g n LEU 40 CO 0.16 0.25 0.92 0.11 -1.51 0.00 0.00 177.39 177.32 1l3g h LYS 41 N -1.00 0.00 0.00 3.23 6.56 0.15 0.89 116.57 126.41 1l3g h LYS 41 Ca -0.35 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.22 1l3g h LYS 41 Cb 1.27 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1l3g h LYS 41 CO -0.21 0.15 -0.12 0.00 -2.06 0.00 0.00 179.45 177.21 1l3g h ALA 42 N 1.85 1.16 0.00 3.86 0.00 1.18 0.25 119.26 127.56 1l3g h ALA 42 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1l3g h ALA 42 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1l3g h ALA 42 CO 0.02 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1l3g n ALA 43 N -2.23 2.12 -1.77 0.00 0.00 -0.68 -4.69 120.51 113.26 1l3g n ALA 43 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1l3g n ALA 43 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.29 0.00 -0.85 0.00 0.23 0.22 -5.08 115.26 109.49 1l3g n ASN 44 Ca 0.00 -1.65 0.01 0.00 -0.53 0.00 0.00 54.58 52.40 1l3g n ASN 44 Cb 0.16 -0.13 -0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1l3g n ASN 44 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1l3g n PHE 45 N 0.00 -0.38 -2.82 -2.53 -0.00 0.06 -4.36 117.46 107.44 1l3g n PHE 45 Ca 0.00 0.21 -0.43 0.00 -0.00 0.00 0.00 57.45 57.23 1l3g n PHE 45 Cb 0.63 -0.33 -0.03 0.00 -0.00 0.00 0.00 39.48 39.75 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 -4.49 3.11 0.00 3.13 0.00 -1.26 -3.96 121.76 118.28 1l3g s ALA 46 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 49.90 1l3g s ALA 46 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1l3g s ALA 46 CO 0.00 -2.95 0.00 1.63 0.00 0.00 0.00 175.76 174.44 1l3g n LYS 47 N 7.68 0.00 0.02 0.00 5.02 -1.26 -4.88 118.16 124.74 1l3g n LYS 47 Ca 0.07 0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.58 1l3g n LYS 47 Cb 0.47 0.00 0.71 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 1.29 2.32 0.06 7.82 0.00 -1.95 0.36 119.26 129.15 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 -0.83 -0.03 0.87 0.00 0.00 0.00 179.25 179.26 1l3g h LYS 49 N 0.00 -0.07 0.00 0.00 1.79 -1.89 -2.79 116.57 113.61 1l3g h LYS 49 Ca 0.26 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 1l3g h LYS 49 Cb 1.36 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1l3g h LYS 49 CO -0.00 0.33 -0.04 -0.09 -1.08 0.00 0.00 179.45 178.57 1l3g h ARG 50 N -0.49 0.00 -0.34 3.15 2.43 -0.49 0.19 114.38 118.83 1l3g h ARG 50 Ca -0.01 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1l3g h ARG 50 Cb 0.43 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1l3g h ARG 50 CO 0.01 0.04 -0.27 1.15 -1.51 0.00 0.00 179.97 179.39 1l3g h THR 51 N 0.00 1.28 0.00 0.20 2.02 -0.91 -1.08 112.91 114.42 1l3g h THR 51 Ca -0.00 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1l3g h THR 51 Cb 0.10 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1l3g h THR 51 CO 0.00 0.45 -0.19 -1.14 0.37 0.00 0.00 175.52 175.01 1l3g n ARG 52 N -4.09 0.17 -0.27 6.66 0.63 -0.47 -2.15 116.66 117.14 1l3g n ARG 52 Ca -0.00 0.34 0.06 0.00 -0.92 0.00 0.00 57.85 57.33 1l3g n ARG 52 Cb 0.45 -1.09 0.17 0.00 0.45 0.00 0.00 32.46 32.44 1l3g n ARG 52 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1l3g h ILE 53 N -0.37 0.28 0.25 5.15 2.10 -0.84 1.27 117.51 125.35 1l3g h ILE 53 Ca 0.00 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 65.90 1l3g h ILE 53 Cb 0.19 0.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.12 1l3g h ILE 53 CO 0.00 0.02 -0.12 0.25 -1.08 0.00 0.00 178.15 177.22 1l3g h LEU 54 N 0.08 -0.28 -0.47 2.19 5.85 -1.32 0.48 115.31 121.84 1l3g h LEU 54 Ca 0.44 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 59.02 1l3g h LEU 54 Cb 0.78 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 1l3g h LEU 54 CO -0.72 0.11 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.14 1l3g h GLU 55 N -0.71 0.08 -0.04 1.25 5.08 -0.53 3.32 114.58 123.02 1l3g h GLU 55 Ca -0.03 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1l3g h GLU 55 Cb 0.49 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1l3g h GLU 55 CO 0.06 0.05 -0.55 -0.22 -1.00 0.00 0.00 179.01 177.35 1l3g h LYS 56 N 0.08 0.13 0.01 2.33 3.11 0.15 1.93 116.57 124.33 1l3g h LYS 56 Ca 0.23 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1l3g h LYS 56 Cb 0.35 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1l3g h LYS 56 CO -0.41 0.65 -0.01 1.49 -2.81 0.00 0.00 179.45 178.37 1l3g h GLU 57 N 0.10 -0.01 0.21 1.90 4.57 0.21 -3.17 114.58 118.39 1l3g h GLU 57 Ca -0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 1l3g h GLU 57 Cb 1.01 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.63 1l3g h GLU 57 CO 0.08 0.79 -1.31 -0.39 -1.18 0.00 0.00 179.01 176.99 1l3g h VAL 58 N -0.93 1.31 -0.73 0.32 -1.51 0.60 -3.13 116.25 112.18 1l3g h VAL 58 Ca -0.00 -2.63 0.16 0.00 -1.23 0.00 0.00 66.70 63.00 1l3g h VAL 58 Cb 0.81 3.06 -0.11 0.00 -2.13 0.00 0.00 31.29 32.92 1l3g h VAL 58 CO 0.00 0.78 0.15 0.25 -1.23 0.00 0.00 177.57 177.53 1l3g h LEU 59 N -0.02 -0.03 -0.23 4.19 7.12 0.31 1.53 115.31 128.17 1l3g h LEU 59 Ca -0.24 0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1l3g h LEU 59 Cb 2.00 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 42.34 1l3g h LEU 59 CO 0.23 -0.05 0.00 1.17 -0.13 0.00 0.00 178.44 179.65 1l3g n LYS 60 N -5.18 0.11 0.00 1.25 3.00 -1.20 -4.75 118.16 111.40 1l3g n LYS 60 Ca 0.14 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1l3g n LYS 60 Cb 0.45 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.81 1l3g n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1l3g n GLU 61 N -1.88 3.73 -2.75 1.64 -0.58 0.52 -5.04 120.64 116.28 1l3g n GLU 61 Ca 0.04 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.47 1l3g n GLU 61 Cb 0.27 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.12 1l3g n GLU 61 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1l3g n THR 62 N 0.00 3.82 -1.81 2.62 -2.24 -1.21 -4.95 114.28 110.51 1l3g n THR 62 Ca 0.00 -5.54 -0.42 0.00 -2.27 0.00 0.00 64.05 55.82 1l3g n THR 62 Cb 0.00 -1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 1l3g n THR 62 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1l3g s HIS 63 N -3.74 2.43 0.00 4.78 5.65 -1.19 -4.50 115.29 118.72 1l3g s HIS 63 Ca 0.46 0.20 0.04 0.00 0.25 0.00 0.00 55.06 56.02 1l3g s HIS 63 Cb 0.28 -4.08 -0.01 0.00 -1.18 0.00 0.00 32.58 27.59 1l3g s HIS 63 CO -0.16 -4.33 -0.13 -1.21 -0.65 0.00 0.00 174.74 168.26 1l3g s GLU 64 N 2.34 1.01 -0.13 2.88 2.02 -1.15 -4.94 118.70 120.74 1l3g s GLU 64 Ca 0.77 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 55.15 1l3g s GLU 64 Cb -0.44 -0.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 1l3g s GLU 64 CO 0.34 0.26 0.11 0.15 0.02 0.00 0.00 175.26 176.14 1l3g s LYS 65 N -0.54 3.47 -0.00 1.61 1.02 -0.81 -2.74 119.74 121.75 1l3g s LYS 65 Ca 0.04 -0.20 -0.20 0.00 0.02 0.00 0.00 55.97 55.63 1l3g s LYS 65 Cb -0.06 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1l3g s LYS 65 CO -0.00 0.69 0.57 0.54 -0.92 0.00 0.00 175.35 176.24 1l3g s VAL 66 N -0.80 4.91 -0.04 3.17 0.11 -1.16 -4.95 120.40 121.64 1l3g s VAL 66 Ca 0.13 1.20 -0.03 0.00 -2.93 0.00 0.00 61.98 60.35 1l3g s VAL 66 Cb -0.12 -3.91 0.02 0.00 -1.53 0.00 0.00 36.38 30.84 1l3g s VAL 66 CO 0.03 0.44 0.10 0.00 -3.33 0.00 0.00 175.10 172.34 1l3g s GLN 67 N -0.31 0.10 0.00 1.54 -2.07 -1.25 -4.59 119.66 113.08 1l3g s GLN 67 Ca 0.30 0.18 0.00 0.00 -1.82 0.00 0.00 55.36 54.02 1l3g s GLN 67 Cb -0.18 -0.01 0.00 0.00 -1.09 0.00 0.00 33.01 31.73 1l3g s GLN 67 CO 0.17 -0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.50 1l3g n GLY 68 N 3.32 0.71 0.00 2.60 0.00 -1.26 -3.77 105.19 106.78 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 -2.00 0.85 3.27 -0.02 0.00 -1.26 -5.04 105.19 101.00 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 3.67 0.00 1.61 0.08 -1.25 -4.35 117.98 115.75 1l3g s PHE 70 Ca 0.00 -2.15 0.00 0.00 0.12 0.00 0.00 56.93 54.90 1l3g s PHE 70 Cb 0.00 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.78 1l3g s PHE 70 CO 0.00 -0.95 0.00 0.41 -0.10 0.00 0.00 175.22 174.58 1l3g n GLY 71 N 3.87 0.82 0.00 4.36 0.00 -1.26 -3.89 105.19 109.10 1l3g n GLY 71 Ca 0.12 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.04 0.01 0.11 1.61 0.00 -1.26 -1.69 118.16 114.91 1l3g n LYS 72 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 58.31 58.54 1l3g n LYS 72 Cb 0.09 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.63 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 -1.99 -1.92 -3.36 116.97 115.37 1l3g h TYR 73 Ca 0.00 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.38 1l3g h TYR 73 Cb 0.32 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.00 1l3g h TYR 73 CO 0.00 0.35 -1.97 0.00 -0.00 0.00 0.00 178.16 176.53 1l3g n GLN 74 N -2.99 0.64 0.00 4.88 -0.00 -0.80 -2.26 117.38 116.84 1l3g n GLN 74 Ca -0.02 0.35 0.00 0.00 -0.00 0.00 0.00 57.00 57.33 1l3g n GLN 74 Cb 0.70 -1.64 0.00 0.00 -0.00 0.00 0.00 30.24 29.30 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 1.68 1.22 2.43 2.61 0.00 -0.68 -4.16 105.19 108.29 1l3g n GLY 75 Ca -0.40 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 1.56 -1.63 2.61 -1.04 -1.11 -1.92 114.28 112.75 1l3g n THR 76 Ca 0.00 -4.94 -0.31 0.00 -2.04 0.00 0.00 64.05 56.76 1l3g n THR 76 Cb 0.00 -1.82 0.05 0.00 -1.82 0.00 0.00 70.33 66.74 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 -2.33 3.20 0.22 -1.42 -2.14 -1.16 0.43 118.94 115.75 1l3g s TRP 77 Ca 0.40 1.37 -0.01 0.00 2.66 0.00 0.00 56.10 60.52 1l3g s TRP 77 Cb 0.19 -2.87 -0.04 0.00 -3.10 0.00 0.00 33.47 27.65 1l3g s TRP 77 CO -0.06 -1.17 0.18 0.14 -2.66 0.00 0.00 176.95 173.38 1l3g s VAL 78 N -3.09 0.00 -0.27 -0.66 -7.23 0.92 -2.91 120.40 107.16 1l3g s VAL 78 Ca 0.58 -1.95 -0.32 0.00 -1.81 0.00 0.00 61.98 58.47 1l3g s VAL 78 Cb -0.13 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 1l3g s VAL 78 CO 0.55 0.00 2.18 -2.65 -0.31 0.00 0.00 175.10 174.86 1l3g n PRO 79 N -0.33 1.54 -0.26 4.82 -0.02 -1.26 0.13 135.00 139.61 1l3g n PRO 79 Ca 0.02 0.43 0.28 0.00 -2.02 0.00 0.00 63.50 62.22 1l3g n PRO 79 Cb 0.65 -2.80 0.66 0.00 -0.02 0.00 0.00 33.50 32.00 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 13.22 0.14 -1.12 2.45 5.85 -1.41 2.05 115.31 136.50 1l3g h LEU 80 Ca -0.35 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 1l3g h LEU 80 Cb 1.28 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1l3g h LEU 80 CO 0.99 0.04 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.96 1l3g h ASN 81 N 0.13 0.55 0.00 1.25 -0.73 -1.83 -1.91 115.58 113.05 1l3g h ASN 81 Ca 0.51 -0.12 -0.36 0.00 1.87 0.00 0.00 56.30 58.20 1l3g h ASN 81 Cb 1.78 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 40.16 1l3g h ASN 81 CO -0.09 0.64 -2.36 0.00 -0.37 0.00 0.00 177.43 175.26 1l3g n ILE 82 N -4.24 1.36 0.38 2.57 3.06 0.15 -4.04 119.36 118.59 1l3g n ILE 82 Ca 0.02 -0.80 -0.17 0.00 -2.50 0.00 0.00 62.75 59.30 1l3g n ILE 82 Cb 0.28 -0.59 -0.08 0.00 0.54 0.00 0.00 39.64 39.78 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 0.84 -0.98 -0.33 1.51 0.00 0.30 -1.51 119.26 119.10 1l3g h ALA 83 Ca -0.54 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.24 1l3g h ALA 83 Cb 2.17 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 20.33 1l3g h ALA 83 CO 0.01 -0.97 0.25 1.57 0.00 0.00 0.00 179.25 180.12 1l3g h LYS 84 N -1.15 0.00 -0.02 0.00 2.10 -1.54 0.28 116.57 116.24 1l3g h LYS 84 Ca -0.10 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.41 1l3g h LYS 84 Cb 0.78 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.09 1l3g h LYS 84 CO 0.17 0.00 -0.63 0.37 -2.00 0.00 0.00 179.45 177.36 1l3g h GLN 85 N 0.00 0.09 0.12 0.07 4.15 -1.63 0.36 115.11 118.28 1l3g h GLN 85 Ca 0.16 -0.07 -0.33 0.00 0.77 0.00 0.00 58.65 59.18 1l3g h GLN 85 Cb 0.66 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1l3g h GLN 85 CO -0.00 0.69 -1.72 1.25 -1.93 0.00 0.00 178.83 177.12 1l3g h LEU 86 N 0.07 0.39 0.00 -2.39 5.85 0.20 -3.35 115.31 116.08 1l3g h LEU 86 Ca -0.01 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 1l3g h LEU 86 Cb 1.12 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1l3g h LEU 86 CO 0.09 1.56 -0.39 0.00 -0.34 0.00 0.00 178.44 179.36 1l3g h ALA 87 N 0.38 0.01 -0.72 1.25 0.00 -0.58 -3.34 119.26 116.26 1l3g h ALA 87 Ca -0.31 -0.39 0.21 0.00 0.00 0.00 0.00 54.91 54.42 1l3g h ALA 87 Cb 2.04 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 20.17 1l3g h ALA 87 CO 0.14 0.37 1.15 1.05 0.00 0.00 0.00 179.25 181.95 1l3g h GLU 88 N -1.00 0.00 0.00 0.00 4.11 -0.44 -0.18 114.58 117.07 1l3g h GLU 88 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1l3g h GLU 88 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1l3g h GLU 88 CO -0.01 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.24 1l3g n LYS 89 N -3.03 0.00 -0.10 1.06 3.00 -1.25 -4.02 118.16 113.82 1l3g n LYS 89 Ca 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.53 1l3g n LYS 89 Cb 1.36 0.00 0.11 0.00 0.00 0.00 0.00 35.03 36.50 1l3g n LYS 89 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1l3g n PHE 90 N 0.00 0.26 0.00 5.64 1.16 -1.17 -4.26 117.46 119.08 1l3g n PHE 90 Ca 0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 57.45 55.33 1l3g n PHE 90 Cb 0.00 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.86 1l3g n PHE 90 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1l3g n SER 91 N 0.66 0.00 -0.01 5.98 2.88 -0.11 -4.69 113.62 118.33 1l3g n SER 91 Ca 0.10 0.13 0.02 0.00 -1.33 0.00 0.00 58.87 57.78 1l3g n SER 91 Cb 0.38 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.43 1.12 -0.34 2.46 0.31 -1.02 -4.56 118.33 115.87 1l3g n VAL 92 Ca 0.00 -1.18 0.29 0.00 -0.01 0.00 0.00 64.34 63.44 1l3g n VAL 92 Cb 0.00 0.39 0.44 0.00 -0.91 0.00 0.00 33.84 33.76 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 -0.64 0.00 -0.08 3.52 9.36 -1.12 0.53 117.16 128.72 1l3g n TYR 93 Ca 0.03 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.14 1l3g n TYR 93 Cb 0.32 -0.27 -0.05 0.00 -0.63 0.00 0.00 39.34 38.71 1l3g n TYR 93 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1l3g n ASP 94 N -3.00 1.83 0.18 2.98 9.92 -1.26 -4.10 116.55 123.11 1l3g n ASP 94 Ca 0.24 0.55 0.06 0.00 -0.53 0.00 0.00 54.79 55.11 1l3g n ASP 94 Cb 1.22 -0.90 0.53 0.00 -0.64 0.00 0.00 41.12 41.33 1l3g n ASP 94 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1l3g h GLN 95 N -1.00 0.13 -0.94 -1.24 7.50 -0.50 -1.49 115.11 117.57 1l3g h GLN 95 Ca -0.13 -0.02 -0.07 0.00 0.50 0.00 0.00 58.65 58.93 1l3g h GLN 95 Cb 0.81 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.27 1l3g h GLN 95 CO -0.08 0.17 0.09 1.28 -1.50 0.00 0.00 178.83 178.78 1l3g n LEU 96 N -4.43 3.13 0.13 1.46 4.77 0.19 -4.06 117.00 118.18 1l3g n LEU 96 Ca -0.01 -1.60 -0.00 0.00 -0.03 0.00 0.00 56.01 54.36 1l3g n LEU 96 Cb 0.15 -0.57 0.27 0.00 -2.33 0.00 0.00 43.42 40.94 1l3g n LEU 96 CO 0.35 0.50 0.67 0.50 -1.33 0.00 0.00 177.39 178.08 1l3g h LYS 97 N 0.67 0.14 0.36 3.23 3.64 -1.42 -0.42 116.57 122.78 1l3g h LYS 97 Ca 0.08 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1l3g h LYS 97 Cb 1.20 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1l3g h LYS 97 CO 0.21 0.52 -0.17 -1.00 -2.27 0.00 0.00 179.45 176.74 1l3g h PRO 98 N 0.12 -0.47 0.00 1.90 0.13 -1.72 -0.12 132.00 131.84 1l3g h PRO 98 Ca 0.01 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1l3g h PRO 98 Cb 0.76 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 1l3g h PRO 98 CO 0.06 -0.31 -0.02 1.25 -0.23 0.00 0.00 178.00 178.74 1l3g h LEU 99 N -1.12 0.00 0.00 1.56 5.85 -1.68 0.32 115.31 120.24 1l3g h LEU 99 Ca -0.05 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 1l3g h LEU 99 Cb 0.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1l3g h LEU 99 CO 0.08 0.02 -0.92 -0.26 -0.34 0.00 0.00 178.44 177.03 1l3g h PHE 100 N 0.00 0.00 0.05 1.25 -1.00 -1.08 -3.36 116.94 112.79 1l3g h PHE 100 Ca -0.00 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.49 1l3g h PHE 100 Cb 0.06 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 1l3g h PHE 100 CO 0.00 0.54 -1.57 -0.25 -1.61 0.00 0.00 178.31 175.42 1l3g n ASP 101 N -3.08 1.96 -0.09 2.17 8.00 -0.06 -5.05 116.55 120.40 1l3g n ASP 101 Ca -0.03 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1l3g n ASP 101 Cb 0.78 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1l3g n ASP 101 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1l3g n PHE 102 N -4.07 0.00 -2.45 1.24 7.35 0.97 -4.92 117.46 115.58 1l3g n PHE 102 Ca -0.33 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 55.93 1l3g n PHE 102 Cb 0.83 -0.53 -0.02 0.00 0.35 0.00 0.00 39.48 40.10 1l3g n PHE 102 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1l3g s THR 103 N -0.10 4.00 0.34 -2.13 -4.23 -1.26 -5.01 115.64 107.25 1l3g s THR 103 Ca 0.00 1.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 1l3g s THR 103 Cb 0.00 -4.39 -0.02 0.00 1.34 0.00 0.00 72.50 69.43 1l3g s THR 103 CO 0.00 -0.91 0.52 -1.58 -0.54 0.00 0.00 174.62 172.10 1l3g s GLN 104 N 4.84 3.29 -0.22 3.99 0.74 -1.26 -5.04 119.66 126.00 1l3g s GLN 104 Ca 0.55 -0.62 -0.18 0.00 0.05 0.00 0.00 55.36 55.16 1l3g s GLN 104 Cb -0.11 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.24 1l3g s GLN 104 CO 0.31 0.10 0.49 0.99 -0.55 0.00 0.00 175.29 176.63 1l3g s THR 105 N -2.26 5.12 -0.67 -0.34 2.01 -1.26 -4.91 115.64 113.32 1l3g s THR 105 Ca 0.42 0.87 0.00 0.00 0.31 0.00 0.00 61.69 63.29 1l3g s THR 105 Cb -0.10 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1l3g s THR 105 CO 0.34 0.17 0.28 0.47 -0.69 0.00 0.00 174.62 175.19 1l3g n ASP 106 N 4.92 0.71 0.00 3.53 9.92 -1.26 -4.58 116.55 129.79 1l3g n ASP 106 Ca -0.05 -0.85 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 1l3g n ASP 106 Cb 0.50 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 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 0.45 1.81 3.95 0.44 0.00 -1.26 -5.05 105.19 105.53 1l3g n GLY 107 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1l3g n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3g s SER 108 N -1.86 5.39 -0.15 1.61 0.15 -1.26 -4.97 113.70 112.60 1l3g s SER 108 Ca 0.00 0.32 -0.29 0.00 0.70 0.00 0.00 55.95 56.68 1l3g s SER 108 Cb 0.00 -1.27 -0.05 0.00 -1.71 0.00 0.00 66.02 62.98 1l3g s SER 108 CO 0.00 -1.11 2.02 0.00 1.20 0.00 0.00 173.24 175.35 1l3g s ALA 109 N -2.86 3.07 -0.52 5.45 0.00 -1.26 -4.92 121.76 120.71 1l3g s ALA 109 Ca 0.55 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1l3g s ALA 109 Cb -0.10 -3.97 0.13 0.00 0.00 0.00 0.00 23.12 19.18 1l3g s ALA 109 CO 0.41 -2.30 0.28 -1.54 0.00 0.00 0.00 175.76 172.61 1l3g s SER 110 N 6.39 4.63 -0.46 0.00 1.04 -1.26 -5.04 113.70 118.99 1l3g s SER 110 Ca 0.91 -2.85 -0.27 0.00 0.48 0.00 0.00 55.95 54.22 1l3g s SER 110 Cb -0.34 -1.70 -0.08 0.00 0.10 0.00 0.00 66.02 64.01 1l3g s SER 110 CO 0.36 -0.29 2.39 -2.65 0.98 0.00 0.00 173.24 174.03 1l3g n PRO 111 N 3.37 1.15 -2.85 4.02 -0.02 -1.26 -4.92 135.00 134.49 1l3g n PRO 111 Ca 0.05 0.10 -0.32 0.00 -2.02 0.00 0.00 63.50 61.32 1l3g n PRO 111 Cb 0.35 -3.27 -0.05 0.00 -0.02 0.00 0.00 33.50 30.51 1l3g n PRO 111 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1l3g s PRO 112 N 7.91 3.97 -0.09 0.52 0.04 -1.26 -5.03 135.00 141.07 1l3g s PRO 112 Ca 1.01 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1l3g s PRO 112 Cb -0.29 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.94 1l3g s PRO 112 CO 0.30 -0.02 -0.03 -1.00 0.04 0.00 0.00 177.00 176.29 1l3g h PRO 113 N 1.63 0.00 -2.43 0.56 0.13 -1.86 -3.46 132.00 126.57 1l3g h PRO 113 Ca -0.48 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 1l3g h PRO 113 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1l3g h PRO 113 CO 0.63 0.00 0.22 0.00 -0.23 0.00 0.00 178.00 178.63 1l3g n ALA 114 N -2.75 -0.82 -1.85 -0.56 0.00 -0.21 -4.42 120.51 109.89 1l3g n ALA 114 Ca -0.01 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1l3g n ALA 114 Cb 0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 0.95 4.22 -1.06 0.00 0.04 -0.44 -4.65 135.00 134.06 1l3g s PRO 115 Ca 0.41 2.39 -0.23 0.00 0.04 0.00 0.00 61.00 63.61 1l3g s PRO 115 Cb -0.59 -3.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 1l3g s PRO 115 CO 0.31 -0.52 1.92 0.21 0.04 0.00 0.00 177.00 178.96 1l3g s LYS 116 N -0.09 2.61 0.05 4.56 2.20 -1.26 -4.88 119.74 122.93 1l3g s LYS 116 Ca 0.63 -0.80 0.07 0.00 -0.36 0.00 0.00 55.97 55.50 1l3g s LYS 116 Cb -0.44 -5.18 -0.03 0.00 -1.51 0.00 0.00 37.83 30.68 1l3g s LYS 116 CO 0.42 -3.60 -0.19 -1.58 -0.36 0.00 0.00 175.35 170.04 1l3g s HIS 117 N 10.17 1.70 0.22 4.03 2.46 -1.26 -5.12 115.29 127.49 1l3g s HIS 117 Ca 0.68 -0.38 -0.30 0.00 0.47 0.00 0.00 55.06 55.53 1l3g s HIS 117 Cb -0.03 -0.99 -0.09 0.00 -0.13 0.00 0.00 32.58 31.34 1l3g s HIS 117 CO 0.06 0.10 0.95 -1.58 -2.47 0.00 0.00 174.74 171.80 1l3g s HIS 118 N -0.88 3.95 0.38 3.88 2.46 -1.26 -5.01 115.29 118.82 1l3g s HIS 118 Ca 0.06 1.90 -0.26 0.00 0.47 0.00 0.00 55.06 57.23 1l3g s HIS 118 Cb -0.09 -3.00 -0.09 0.00 -0.13 0.00 0.00 32.58 29.28 1l3g s HIS 118 CO 0.02 0.40 1.20 -3.38 -2.47 0.00 0.00 174.74 170.51 1l3g s HIS 119 N -1.02 3.06 -0.06 3.88 -3.43 -1.26 -4.87 115.29 111.59 1l3g s HIS 119 Ca 0.42 1.53 -0.40 0.00 -0.80 0.00 0.00 55.06 55.80 1l3g s HIS 119 Cb -0.26 -3.46 -0.19 0.00 -1.43 0.00 0.00 32.58 27.23 1l3g s HIS 119 CO 0.32 -1.45 1.19 0.00 -2.00 0.00 0.00 174.74 172.80 1l3g n ALA 120 N 0.25 -2.96 -3.52 -1.38 0.00 -1.26 -4.90 120.51 106.73 1l3g n ALA 120 Ca 0.03 0.57 -0.37 0.00 0.00 0.00 0.00 53.44 53.68 1l3g n ALA 120 Cb 0.45 -1.83 -0.12 0.00 0.00 0.00 0.00 19.45 17.95 1l3g n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1l3g s SER 121 N 0.52 5.24 -0.32 0.00 0.15 -1.26 -5.06 113.70 112.96 1l3g s SER 121 Ca 0.92 -1.52 -0.05 0.00 0.70 0.00 0.00 55.95 56.01 1l3g s SER 121 Cb -1.26 -1.83 0.04 0.00 -1.71 0.00 0.00 66.02 61.26 1l3g s SER 121 CO 0.59 -0.41 0.07 -0.54 1.20 0.00 0.00 173.24 174.14 1l3g s LYS 122 N 1.28 2.61 0.16 5.44 1.02 -1.26 -5.09 119.74 123.91 1l3g s LYS 122 Ca 0.01 -1.17 -0.27 0.00 0.02 0.00 0.00 55.97 54.56 1l3g s LYS 122 Cb -0.21 -3.35 -0.08 0.00 -0.52 0.00 0.00 37.83 33.67 1l3g s LYS 122 CO -0.01 -0.63 0.85 0.14 -0.92 0.00 0.00 175.35 174.79 1l3g s VAL 123 N 1.36 4.35 -2.00 3.17 -7.23 -1.26 -5.33 120.40 113.46 1l3g s VAL 123 Ca -0.02 1.87 0.02 0.00 -1.81 0.00 0.00 61.98 62.04 1l3g s VAL 123 Cb -0.19 -4.22 0.07 0.00 0.56 0.00 0.00 36.38 32.59 1l3g s VAL 123 CO 0.01 0.46 0.63 -0.67 -0.31 0.00 0.00 175.10 175.23