#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 2.11 -4.04 4.04 3.02 -1.26 -4.69 115.26 114.44 1l3g n ASN 3 Ca 0.00 0.17 -0.34 0.00 -0.03 0.00 0.00 54.58 54.38 1l3g n ASN 3 Cb 0.00 -0.81 -0.12 0.00 -0.61 0.00 0.00 39.78 38.24 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 -2.55 2.24 -0.48 3.52 1.11 -1.26 -5.01 119.66 117.23 1l3g s GLN 4 Ca -0.24 -2.48 0.03 0.00 0.01 0.00 0.00 55.36 52.68 1l3g s GLN 4 Cb 0.07 -3.53 0.14 0.00 -1.01 0.00 0.00 33.01 28.67 1l3g s GLN 4 CO 0.75 -1.13 0.26 0.42 0.01 0.00 0.00 175.29 175.60 1l3g s ILE 5 N -0.01 1.80 -0.04 1.08 1.09 -1.26 -3.44 121.20 120.42 1l3g s ILE 5 Ca 0.16 -2.88 -0.00 0.00 -1.10 0.00 0.00 60.65 56.83 1l3g s ILE 5 Cb -0.22 -2.25 -0.03 0.00 -1.06 0.00 0.00 42.46 38.89 1l3g s ILE 5 CO -0.02 -0.88 0.01 -0.31 -0.10 0.00 0.00 174.94 173.63 1l3g s TYR 6 N 0.05 3.13 0.11 3.97 1.51 1.23 -3.36 117.35 123.99 1l3g s TYR 6 Ca 0.18 0.14 0.10 0.00 -1.01 0.00 0.00 57.07 56.48 1l3g s TYR 6 Cb -0.23 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1l3g s TYR 6 CO -0.01 0.47 -0.22 -1.12 -1.11 0.00 0.00 175.55 173.56 1l3g s SER 7 N -1.26 3.61 0.02 2.29 0.01 -1.26 1.37 113.70 118.47 1l3g s SER 7 Ca 0.17 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1l3g s SER 7 Cb -0.11 -0.41 -0.01 0.00 0.21 0.00 0.00 66.02 65.69 1l3g s SER 7 CO 0.07 0.19 -0.03 0.00 0.41 0.00 0.00 173.24 173.88 1l3g s ALA 8 N -1.06 0.16 -0.27 1.44 0.00 0.37 -4.66 121.76 117.74 1l3g s ALA 8 Ca 0.16 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1l3g s ALA 8 Cb -0.10 0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.17 1l3g s ALA 8 CO 0.07 -0.08 0.01 -0.98 0.00 0.00 0.00 175.76 174.79 1l3g s ARG 9 N -0.94 1.33 0.25 0.00 1.04 -1.26 0.50 118.95 119.87 1l3g s ARG 9 Ca -0.09 -1.17 -0.03 0.00 -1.04 0.00 0.00 55.73 53.40 1l3g s ARG 9 Cb -0.06 -2.55 -0.02 0.00 -2.04 0.00 0.00 34.95 30.27 1l3g s ARG 9 CO -0.00 -0.76 0.29 0.71 -0.04 0.00 0.00 175.30 175.50 1l3g s TYR 10 N 1.37 1.02 -1.58 5.89 2.02 -0.41 -4.86 117.35 120.79 1l3g s TYR 10 Ca 0.01 -1.24 0.00 0.00 -0.37 0.00 0.00 57.07 55.48 1l3g s TYR 10 Cb -0.18 -0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 1l3g s TYR 10 CO -0.11 -0.84 0.00 0.45 -1.57 0.00 0.00 175.55 173.48 1l3g n SER 11 N -0.64 -5.19 0.00 2.29 2.88 -1.26 -0.23 113.62 111.47 1l3g n SER 11 Ca 0.02 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1l3g n SER 11 Cb 0.64 -4.37 0.00 0.00 -0.75 0.00 0.00 64.21 59.73 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 -0.88 0.80 3.10 0.46 0.00 -1.26 -4.96 105.19 102.46 1l3g n GLY 12 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.75 1.41 0.53 1.61 1.01 0.68 -5.07 120.40 117.83 1l3g s VAL 13 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1l3g s VAL 13 Cb 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 1l3g s VAL 13 CO 0.00 0.41 0.95 1.51 0.00 0.00 0.00 175.10 177.98 1l3g s ASP 14 N 0.36 6.46 0.35 3.32 -4.77 -1.26 -1.29 116.67 119.85 1l3g s ASP 14 Ca -0.11 1.42 -0.04 0.00 -3.30 0.00 0.00 52.55 50.52 1l3g s ASP 14 Cb -0.15 -2.45 0.01 0.00 -1.09 0.00 0.00 42.92 39.24 1l3g s ASP 14 CO 0.04 -0.64 0.52 0.68 0.70 0.00 0.00 175.17 176.46 1l3g s VAL 15 N -2.76 0.00 -0.01 2.11 -7.23 1.85 0.56 120.40 114.91 1l3g s VAL 15 Ca 0.56 -1.53 0.07 0.00 -1.81 0.00 0.00 61.98 59.26 1l3g s VAL 15 Cb -0.10 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1l3g s VAL 15 CO 0.39 0.00 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.66 1l3g s TYR 16 N -2.93 1.91 -0.23 2.82 2.02 -1.23 0.14 117.35 119.85 1l3g s TYR 16 Ca 0.29 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 1l3g s TYR 16 Cb -0.01 -1.22 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 1l3g s TYR 16 CO 0.20 -0.02 -0.14 -1.83 -1.57 0.00 0.00 175.55 172.18 1l3g s GLU 17 N -0.55 2.51 0.15 -0.62 1.03 13.13 -2.25 118.70 132.09 1l3g s GLU 17 Ca 0.08 -1.13 0.11 0.00 0.03 0.00 0.00 54.97 54.06 1l3g s GLU 17 Cb -0.08 -2.75 -0.04 0.00 -0.80 0.00 0.00 34.13 30.46 1l3g s GLU 17 CO -0.01 -0.43 -0.25 -0.06 -1.33 0.00 0.00 175.26 173.19 1l3g s PHE 18 N 1.19 2.20 0.08 4.83 0.40 0.26 0.38 117.98 127.31 1l3g s PHE 18 Ca -0.03 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.61 1l3g s PHE 18 Cb -0.17 -1.16 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 1l3g s PHE 18 CO -0.08 0.36 1.02 0.42 0.70 0.00 0.00 175.22 177.64 1l3g s ILE 19 N -1.31 4.47 0.00 0.64 1.09 -1.06 0.48 121.20 125.50 1l3g s ILE 19 Ca 0.15 1.93 0.00 0.00 -1.10 0.00 0.00 60.65 61.63 1l3g s ILE 19 Cb -0.09 -4.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.07 1l3g s ILE 19 CO 0.07 0.24 0.00 1.41 -0.10 0.00 0.00 174.94 176.55 1l3g n HIS 20 N 3.23 0.00 -0.21 3.97 8.25 3.75 -4.84 115.22 129.36 1l3g n HIS 20 Ca 0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1l3g n HIS 20 Cb 0.49 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.72 1l3g n HIS 20 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1l3g h SER 21 N 0.00 0.96 -0.56 0.41 0.87 -1.90 -1.72 113.55 111.61 1l3g h SER 21 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1l3g h SER 21 Cb 0.00 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1l3g h SER 21 CO 0.00 0.90 0.00 0.41 -0.53 0.00 0.00 176.83 177.61 1l3g n THR 22 N -4.26 1.12 0.00 2.23 -1.04 -1.26 -4.94 114.28 106.12 1l3g n THR 22 Ca 0.05 -0.86 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 1l3g n THR 22 Cb 0.22 0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 1.22 1.34 3.77 3.41 0.00 -0.65 -4.88 105.19 109.39 1l3g n GLY 23 Ca 0.20 -0.85 -0.40 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 7.38 -0.16 1.61 0.15 -1.20 0.74 113.70 118.22 1l3g s SER 24 Ca 0.00 1.64 -0.01 0.00 0.70 0.00 0.00 55.95 58.28 1l3g s SER 24 Cb 0.00 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1l3g s SER 24 CO 0.00 0.16 -0.13 -0.63 1.20 0.00 0.00 173.24 173.84 1l3g s ILE 25 N -0.89 2.86 -0.15 6.45 1.01 1.73 -4.43 121.20 127.78 1l3g s ILE 25 Ca 0.37 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1l3g s ILE 25 Cb -0.23 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1l3g s ILE 25 CO 0.26 0.50 -0.18 -0.32 0.00 0.00 0.00 174.94 175.20 1l3g s MET 26 N 0.86 3.13 0.38 2.79 1.75 -1.06 -0.57 119.30 126.59 1l3g s MET 26 Ca -0.04 -0.80 0.08 0.00 -1.25 0.00 0.00 55.69 53.68 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 -0.00 0.01 0.29 0.21 -0.65 0.00 0.00 175.02 174.88 1l3g s LYS 27 N 0.80 2.51 0.02 4.11 2.20 -0.96 -4.52 119.74 123.91 1l3g s LYS 27 Ca -0.06 -1.52 -0.18 0.00 -0.36 0.00 0.00 55.97 53.85 1l3g s LYS 27 Cb -0.15 -2.31 -0.06 0.00 -1.51 0.00 0.00 37.83 33.79 1l3g s LYS 27 CO -0.01 -0.06 0.50 0.50 -0.36 0.00 0.00 175.35 175.92 1l3g s ARG 28 N -4.02 4.11 0.27 4.03 6.06 -1.21 -3.54 118.95 124.65 1l3g s ARG 28 Ca 0.44 0.59 0.01 0.00 -2.50 0.00 0.00 55.73 54.27 1l3g s ARG 28 Cb -0.03 -3.25 0.36 0.00 0.06 0.00 0.00 34.95 32.09 1l3g s ARG 28 CO 0.26 0.60 1.70 -0.22 -2.50 0.00 0.00 175.30 175.14 1l3g h LYS 29 N 4.85 0.55 0.69 5.12 3.11 -0.17 5.42 116.57 136.14 1l3g h LYS 29 Ca -0.49 -0.21 -0.03 0.00 -2.81 0.00 0.00 60.65 57.11 1l3g h LYS 29 Cb 1.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 1l3g h LYS 29 CO 0.64 0.75 -0.48 0.87 -2.81 0.00 0.00 179.45 178.42 1l3g h LYS 30 N 0.48 -1.08 -0.15 1.90 1.79 -1.94 -3.29 116.57 114.29 1l3g h LYS 30 Ca 0.07 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1l3g h LYS 30 Cb 0.68 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1l3g h LYS 30 CO 0.05 -0.72 0.00 -3.47 -1.08 0.00 0.00 179.45 174.23 1l3g n ASP 31 N -5.60 2.44 -3.91 0.86 -0.08 -1.22 -5.01 116.55 104.04 1l3g n ASP 31 Ca -0.14 -2.06 -0.34 0.00 -1.51 0.00 0.00 54.79 50.74 1l3g n ASP 31 Cb 0.48 -0.12 0.01 0.00 2.34 0.00 0.00 41.12 43.83 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 -0.11 -4.59 -4.89 1.67 9.92 1.76 -3.67 116.55 116.64 1l3g n ASP 32 Ca 0.06 -1.10 -0.29 0.00 -0.53 0.00 0.00 54.79 52.93 1l3g n ASP 32 Cb 0.35 -1.73 -0.00 0.00 -0.64 0.00 0.00 41.12 39.10 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 -3.22 3.56 0.10 1.24 0.52 -1.18 0.31 118.94 120.27 1l3g s TRP 33 Ca 0.22 0.95 0.10 0.00 0.02 0.00 0.00 56.10 57.38 1l3g s TRP 33 Cb -0.12 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 1l3g s TRP 33 CO 0.93 -0.32 -0.25 0.54 0.02 0.00 0.00 176.95 177.87 1l3g s VAL 34 N -2.75 2.04 -0.52 4.03 0.11 9.32 -3.35 120.40 129.28 1l3g s VAL 34 Ca 0.50 -1.58 -0.26 0.00 -2.93 0.00 0.00 61.98 57.70 1l3g s VAL 34 Cb -0.10 -1.80 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1l3g s VAL 34 CO 0.44 0.11 2.14 0.54 -3.33 0.00 0.00 175.10 175.00 1l3g s ASN 35 N -1.78 4.90 0.54 3.54 4.22 -1.26 1.09 114.94 126.19 1l3g s ASN 35 Ca 0.11 0.82 0.22 0.00 -2.14 0.00 0.00 52.86 51.87 1l3g s ASN 35 Cb -0.10 -2.51 0.75 0.00 1.28 0.00 0.00 41.25 40.67 1l3g s ASN 35 CO 0.04 -2.57 1.12 0.00 -2.04 0.00 0.00 177.10 173.66 1l3g n ALA 36 N 14.12 0.82 -0.03 3.54 0.00 4.29 0.99 120.51 144.25 1l3g n ALA 36 Ca 0.29 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.91 1l3g n ALA 36 Cb 0.53 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 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 1.06 0.00 0.00 2.02 -1.82 6.25 112.91 120.41 1l3g h THR 37 Ca 0.41 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.44 1l3g h THR 37 Cb 2.54 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1l3g h THR 37 CO -0.00 0.05 -0.12 -0.74 0.37 0.00 0.00 175.52 175.07 1l3g h HIS 38 N 0.20 0.00 0.00 3.16 6.17 0.29 6.61 115.15 131.58 1l3g h HIS 38 Ca 0.06 0.00 -0.17 0.00 0.71 0.00 0.00 60.37 60.97 1l3g h HIS 38 Cb -0.00 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.90 1l3g h HIS 38 CO -0.06 0.12 -1.06 -0.89 0.71 0.00 0.00 177.93 176.75 1l3g n ILE 39 N -4.28 1.50 -0.10 6.26 -0.00 -0.48 -3.52 119.36 118.73 1l3g n ILE 39 Ca -0.03 0.04 -0.22 0.00 -0.00 0.00 0.00 62.75 62.54 1l3g n ILE 39 Cb 0.20 -2.15 -0.12 0.00 -0.00 0.00 0.00 39.64 37.57 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 -4.48 1.91 0.25 1.39 4.77 2.01 -3.86 117.00 118.99 1l3g n LEU 40 Ca -0.25 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1l3g n LEU 40 Cb 0.56 -0.97 0.64 0.00 -2.33 0.00 0.00 43.42 41.33 1l3g n LEU 40 CO 0.16 0.33 0.92 0.11 -1.33 0.00 0.00 177.39 177.58 1l3g h LYS 41 N -0.94 0.00 0.00 3.23 6.56 0.30 1.06 116.57 126.79 1l3g h LYS 41 Ca -0.38 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.17 1l3g h LYS 41 Cb 1.37 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.02 1l3g h LYS 41 CO -0.21 0.16 -0.19 0.00 -2.06 0.00 0.00 179.45 177.15 1l3g h ALA 42 N 1.84 1.03 0.00 3.86 0.00 1.28 0.10 119.26 127.38 1l3g h ALA 42 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1l3g h ALA 42 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1l3g h ALA 42 CO 0.02 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1l3g n ALA 43 N -2.21 2.25 -1.39 0.00 0.00 -0.66 -4.71 120.51 113.80 1l3g n ALA 43 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1l3g n ALA 43 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.07 0.00 -1.40 0.00 0.23 0.36 -5.07 115.26 109.31 1l3g n ASN 44 Ca 0.00 -1.38 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 1l3g n ASN 44 Cb 0.02 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 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 -2.86 -2.96 -2.53 7.35 0.35 -4.55 117.46 112.26 1l3g n PHE 45 Ca 0.00 1.55 -0.44 0.00 -0.76 0.00 0.00 57.45 57.80 1l3g n PHE 45 Cb 0.58 -2.39 -0.03 0.00 0.35 0.00 0.00 39.48 37.98 1l3g n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1l3g s ALA 46 N -4.83 3.39 0.00 3.13 0.00 -1.26 -4.22 121.76 117.96 1l3g s ALA 46 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 51.96 49.34 1l3g s ALA 46 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1l3g s ALA 46 CO 0.00 -2.84 0.00 1.63 0.00 0.00 0.00 175.76 174.55 1l3g n LYS 47 N 6.50 0.69 0.11 0.00 5.02 -1.26 -4.88 118.16 124.34 1l3g n LYS 47 Ca 0.16 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.65 1l3g n LYS 47 Cb 0.48 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 2.07 0.09 7.82 0.00 -1.97 0.31 119.26 128.58 1l3g h ALA 48 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1l3g h ALA 48 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1l3g h ALA 48 CO 0.00 -0.71 -0.05 0.87 0.00 0.00 0.00 179.25 179.36 1l3g h LYS 49 N 0.00 -0.12 0.00 0.00 6.56 -1.92 -2.78 116.57 118.31 1l3g h LYS 49 Ca 0.19 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.78 1l3g h LYS 49 Cb 1.20 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.89 1l3g h LYS 49 CO -0.00 0.26 -0.03 0.07 -2.06 0.00 0.00 179.45 177.69 1l3g h ARG 50 N -0.53 0.00 -0.37 3.15 -0.00 -0.61 0.50 114.38 116.52 1l3g h ARG 50 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.87 1l3g h ARG 50 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.40 1l3g h ARG 50 CO 0.02 0.03 -0.15 1.15 -0.00 0.00 0.00 179.97 181.02 1l3g h THR 51 N 0.00 1.26 0.00 0.08 2.02 -1.04 -1.26 112.91 113.97 1l3g h THR 51 Ca -0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1l3g h THR 51 Cb 0.07 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1l3g h THR 51 CO 0.00 0.40 -0.46 0.54 0.37 0.00 0.00 175.52 176.37 1l3g n ARG 52 N -4.15 0.31 -0.29 6.66 3.00 -0.44 -2.93 116.66 118.81 1l3g n ARG 52 Ca 0.01 0.31 0.12 0.00 -0.01 0.00 0.00 57.85 58.27 1l3g n ARG 52 Cb 0.38 -1.25 0.27 0.00 0.00 0.00 0.00 32.46 31.86 1l3g n ARG 52 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1l3g h ILE 53 N -0.64 0.36 0.52 0.55 3.07 -0.20 2.15 117.51 123.32 1l3g h ILE 53 Ca 0.00 -0.08 -0.03 0.00 1.55 0.00 0.00 64.86 66.30 1l3g h ILE 53 Cb 0.46 0.11 0.01 0.00 -0.27 0.00 0.00 36.82 37.12 1l3g h ILE 53 CO 0.00 0.04 -0.25 0.25 -1.05 0.00 0.00 178.15 177.14 1l3g h LEU 54 N 0.23 -0.59 -0.59 0.16 6.46 -1.33 0.66 115.31 120.30 1l3g h LEU 54 Ca 0.53 -0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.32 1l3g h LEU 54 Cb 1.03 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 1l3g h LEU 54 CO -0.62 -0.19 0.29 -0.08 -0.62 0.00 0.00 178.44 177.21 1l3g h GLU 55 N -1.11 0.52 0.00 1.25 4.57 -1.16 4.41 114.58 123.06 1l3g h GLU 55 Ca -0.07 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 57.95 1l3g h GLU 55 Cb 0.59 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1l3g h GLU 55 CO 0.12 0.34 -0.60 -0.22 -1.18 0.00 0.00 179.01 177.47 1l3g h LYS 56 N 0.53 0.00 0.07 1.92 3.64 0.35 0.61 116.57 123.68 1l3g h LYS 56 Ca 0.28 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.36 1l3g h LYS 56 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1l3g h LYS 56 CO -0.21 0.60 -1.62 1.49 -2.27 0.00 0.00 179.45 177.43 1l3g h GLU 57 N 0.00 0.15 0.02 1.90 4.57 0.16 -3.39 114.58 117.98 1l3g h GLU 57 Ca -0.01 -0.25 -0.32 0.00 -1.18 0.00 0.00 59.36 57.60 1l3g h GLU 57 Cb 1.08 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 1l3g h GLU 57 CO 0.08 1.12 -1.78 1.55 -1.18 0.00 0.00 179.01 178.80 1l3g n VAL 58 N -3.95 1.57 -0.25 0.32 3.14 1.44 -2.69 118.33 117.91 1l3g n VAL 58 Ca -0.31 -0.25 0.12 0.00 -2.96 0.00 0.00 64.34 60.94 1l3g n VAL 58 Cb 0.87 -1.92 0.23 0.00 -1.06 0.00 0.00 33.84 31.97 1l3g n VAL 58 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1l3g n LEU 59 N -4.17 -0.05 -0.01 6.55 0.00 0.21 0.18 117.00 119.72 1l3g n LEU 59 Ca -0.39 1.21 -0.06 0.00 0.00 0.00 0.00 56.01 56.77 1l3g n LEU 59 Cb 0.81 -0.46 -0.12 0.00 0.00 0.00 0.00 43.42 43.65 1l3g n LEU 59 CO 0.19 -1.24 -0.49 2.29 0.00 0.00 0.00 177.39 178.14 1l3g n LYS 60 N -4.94 0.63 -2.93 1.96 2.85 -1.21 -4.28 118.16 110.25 1l3g n LYS 60 Ca 0.18 0.26 -0.44 0.00 -1.05 0.00 0.00 58.31 57.26 1l3g n LYS 60 Cb 0.59 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 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 -2.98 3.40 -3.44 -1.58 -0.58 0.48 -4.72 120.64 111.22 1l3g n GLU 61 Ca -0.15 -3.86 -0.17 0.00 -0.42 0.00 0.00 57.16 52.56 1l3g n GLU 61 Cb 0.99 -3.01 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 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 4.44 -1.52 -1.71 2.62 -1.04 -1.22 -4.65 114.28 111.19 1l3g n THR 62 Ca 0.37 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.05 61.97 1l3g n THR 62 Cb 0.42 -1.33 0.11 0.00 -1.82 0.00 0.00 70.33 67.71 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 -3.14 2.73 -0.03 -1.42 -3.43 -0.77 -3.29 115.29 105.93 1l3g s HIS 63 Ca 0.09 0.81 -0.01 0.00 -0.80 0.00 0.00 55.06 55.16 1l3g s HIS 63 Cb -0.05 -3.43 0.03 0.00 -1.43 0.00 0.00 32.58 27.70 1l3g s HIS 63 CO 0.47 -2.07 0.06 -1.21 -2.00 0.00 0.00 174.74 170.00 1l3g s GLU 64 N -5.42 -0.03 -0.50 -0.38 0.41 0.68 -4.84 118.70 108.62 1l3g s GLU 64 Ca 0.63 0.28 -0.02 0.00 -0.41 0.00 0.00 54.97 55.45 1l3g s GLU 64 Cb -0.13 -0.30 0.13 0.00 -1.78 0.00 0.00 34.13 32.05 1l3g s GLU 64 CO 0.51 -0.21 0.30 0.21 -0.49 0.00 0.00 175.26 175.58 1l3g s LYS 65 N 1.41 2.21 -0.40 1.61 2.20 -1.26 -0.57 119.74 124.93 1l3g s LYS 65 Ca -0.05 -2.18 -0.22 0.00 -0.36 0.00 0.00 55.97 53.16 1l3g s LYS 65 Cb -0.13 -3.61 0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1l3g s LYS 65 CO -0.04 -1.11 0.73 0.14 -0.36 0.00 0.00 175.35 174.72 1l3g s VAL 66 N 0.52 4.75 0.13 4.02 -7.23 -0.93 -5.00 120.40 116.67 1l3g s VAL 66 Ca 0.13 0.57 -0.04 0.00 -1.81 0.00 0.00 61.98 60.83 1l3g s VAL 66 Cb -0.22 -4.21 -0.03 0.00 0.56 0.00 0.00 36.38 32.48 1l3g s VAL 66 CO -0.04 -0.52 0.12 0.00 -0.31 0.00 0.00 175.10 174.35 1l3g s GLN 67 N 3.04 0.94 0.00 4.82 0.00 -1.14 -3.55 119.66 123.76 1l3g s GLN 67 Ca 0.28 -1.29 0.00 0.00 -0.00 0.00 0.00 55.36 54.35 1l3g s GLN 67 Cb -0.13 0.28 0.00 0.00 0.00 0.00 0.00 33.01 33.16 1l3g s GLN 67 CO 0.19 -0.29 0.00 0.41 0.00 0.00 0.00 175.29 175.60 1l3g n GLY 68 N -0.10 0.56 0.91 2.60 0.00 -1.26 -3.42 105.19 104.49 1l3g n GLY 68 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.74 1.11 3.26 -0.02 0.00 -1.26 -4.99 105.19 100.56 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 -0.11 0.00 0.00 0.00 173.32 173.21 1l3g s PHE 70 N -2.30 3.66 0.00 1.61 -0.12 -1.22 -4.36 117.98 115.25 1l3g s PHE 70 Ca 0.00 -2.20 0.00 0.00 -0.05 0.00 0.00 56.93 54.68 1l3g s PHE 70 Cb 0.00 -3.64 0.00 0.00 -0.63 0.00 0.00 43.02 38.75 1l3g s PHE 70 CO 0.00 -0.95 0.00 0.41 -0.05 0.00 0.00 175.22 174.63 1l3g n GLY 71 N 3.82 1.05 0.10 1.99 0.00 -1.26 -2.90 105.19 107.99 1l3g n GLY 71 Ca 0.12 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.74 0.16 0.15 1.61 0.00 -1.23 -1.53 118.16 115.58 1l3g n LYS 72 Ca 0.00 0.34 0.04 0.00 0.00 0.00 0.00 58.31 58.69 1l3g n LYS 72 Cb 0.09 -1.78 0.05 0.00 0.00 0.00 0.00 35.03 33.38 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 -3.34 116.97 117.50 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 0.41 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 1l3g h TYR 73 CO 0.00 0.41 -1.97 1.04 -1.05 0.00 0.00 178.16 176.59 1l3g n GLN 74 N -3.20 0.64 0.00 4.88 3.00 -0.78 -4.60 117.38 117.32 1l3g n GLN 74 Ca 0.02 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 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 1.13 2.60 1.08 0.00 -0.58 -4.12 105.19 106.97 1l3g n GLY 75 Ca -0.40 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 1l3g n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1l3g n THR 76 N 0.00 1.91 -1.60 2.61 -2.24 -1.23 -2.18 114.28 111.55 1l3g n THR 76 Ca 0.00 -5.15 -0.30 0.00 -2.27 0.00 0.00 64.05 56.32 1l3g n THR 76 Cb 0.00 -1.40 0.07 0.00 -2.10 0.00 0.00 70.33 66.90 1l3g n THR 76 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1l3g s TRP 77 N -2.81 3.01 0.19 4.78 1.48 0.26 0.80 118.94 126.65 1l3g s TRP 77 Ca 0.44 1.25 -0.02 0.00 -1.06 0.00 0.00 56.10 56.70 1l3g s TRP 77 Cb 0.25 -3.01 -0.04 0.00 -1.16 0.00 0.00 33.47 29.52 1l3g s TRP 77 CO -0.09 -1.47 0.15 0.14 -4.06 0.00 0.00 176.95 171.61 1l3g s VAL 78 N -3.13 0.03 -0.24 -0.66 -7.23 7.93 0.25 120.40 117.35 1l3g s VAL 78 Ca 0.59 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 1l3g s VAL 78 Cb -0.14 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 1l3g s VAL 78 CO 0.54 -0.13 2.16 -0.81 -0.31 0.00 0.00 175.10 176.56 1l3g n PRO 79 N -0.23 1.72 -0.28 4.82 -0.04 -1.21 1.17 135.00 140.95 1l3g n PRO 79 Ca -0.01 0.50 0.30 0.00 -0.04 0.00 0.00 63.50 64.25 1l3g n PRO 79 Cb 0.65 -2.90 0.67 0.00 -0.04 0.00 0.00 33.50 31.89 1l3g n PRO 79 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1l3g h LEU 80 N 13.31 0.13 -2.11 1.53 -0.00 0.49 2.63 115.31 131.29 1l3g h LEU 80 Ca -0.37 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1l3g h LEU 80 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1l3g h LEU 80 CO 0.98 0.03 -0.01 -1.13 -0.00 0.00 0.00 178.44 178.31 1l3g h ASN 81 N 0.12 0.00 0.00 0.17 -1.24 -1.82 -1.90 115.58 110.91 1l3g h ASN 81 Ca 0.53 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.44 1l3g h ASN 81 Cb 1.89 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.92 1l3g h ASN 81 CO -0.09 0.01 -1.40 0.00 -1.29 0.00 0.00 177.43 174.65 1l3g n ILE 82 N -4.35 0.38 0.37 2.57 3.06 0.28 -4.30 119.36 117.37 1l3g n ILE 82 Ca -0.03 -0.25 -0.17 0.00 -2.50 0.00 0.00 62.75 59.81 1l3g n ILE 82 Cb 0.09 -0.73 -0.08 0.00 0.54 0.00 0.00 39.64 39.47 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 0.33 -0.94 -0.19 1.51 0.00 0.42 -1.20 119.26 119.19 1l3g h ALA 83 Ca -0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1l3g h ALA 83 Cb 1.27 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1l3g h ALA 83 CO 0.01 -0.94 0.11 -0.22 0.00 0.00 0.00 179.25 178.20 1l3g h LYS 84 N -1.12 0.25 0.00 0.00 3.64 -1.54 0.11 116.57 117.92 1l3g h LYS 84 Ca -0.10 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1l3g h LYS 84 Cb 0.75 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1l3g h LYS 84 CO 0.16 0.18 -0.27 0.37 -2.27 0.00 0.00 179.45 177.62 1l3g h GLN 85 N 0.26 0.00 0.14 1.90 4.15 -1.65 0.71 115.11 120.62 1l3g h GLN 85 Ca 0.07 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.17 1l3g h GLN 85 Cb 0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1l3g h GLN 85 CO -0.01 0.27 -1.64 1.25 -1.93 0.00 0.00 178.83 176.76 1l3g h LEU 86 N 0.00 0.47 0.00 -2.39 5.85 0.21 -3.37 115.31 116.07 1l3g h LEU 86 Ca -0.00 -0.90 -0.00 0.00 0.84 0.00 0.00 57.88 57.82 1l3g h LEU 86 Cb 0.63 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1l3g h LEU 86 CO 0.03 1.73 -0.33 0.00 -0.34 0.00 0.00 178.44 179.53 1l3g h ALA 87 N 0.02 0.00 -0.49 1.25 0.00 -0.99 -3.34 119.26 115.71 1l3g h ALA 87 Ca -0.34 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.38 1l3g h ALA 87 Cb 1.93 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 20.02 1l3g h ALA 87 CO 0.10 0.33 0.78 -0.85 0.00 0.00 0.00 179.25 179.60 1l3g n GLU 88 N -4.67 0.01 0.00 0.00 0.28 0.25 -0.67 120.64 115.84 1l3g n GLU 88 Ca -0.05 0.67 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1l3g n GLU 88 Cb 0.17 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.34 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 -2.37 0.00 -0.05 3.44 4.81 -1.25 -3.98 118.16 118.76 1l3g n LYS 89 Ca 0.11 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.61 1l3g n LYS 89 Cb 0.92 -0.07 0.08 0.00 0.02 0.00 0.00 35.03 35.99 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 0.13 0.00 5.64 1.16 -1.06 -4.23 117.46 119.10 1l3g n PHE 90 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 57.45 55.45 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 0.68 0.00 -0.07 5.98 2.88 0.16 -4.65 113.62 118.59 1l3g n SER 91 Ca 0.09 0.19 0.01 0.00 -1.33 0.00 0.00 58.87 57.83 1l3g n SER 91 Cb 0.34 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.83 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 -0.45 1.10 -0.24 2.46 0.31 -1.16 -4.37 118.33 115.98 1l3g n VAL 92 Ca 0.00 -1.13 0.20 0.00 -0.01 0.00 0.00 64.34 63.41 1l3g n VAL 92 Cb 0.00 0.42 0.31 0.00 -0.91 0.00 0.00 33.84 33.67 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 -0.50 0.00 -0.07 3.52 0.18 -1.22 0.53 117.16 119.60 1l3g n TYR 93 Ca 0.03 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.76 1l3g n TYR 93 Cb 0.31 -0.19 -0.02 0.00 -0.38 0.00 0.00 39.34 39.06 1l3g n TYR 93 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1l3g n ASP 94 N -2.61 1.79 0.26 9.48 -0.08 -1.26 -4.26 116.55 119.86 1l3g n ASP 94 Ca 0.17 0.61 0.08 0.00 -1.51 0.00 0.00 54.79 54.14 1l3g n ASP 94 Cb 0.87 -0.86 0.64 0.00 2.34 0.00 0.00 41.12 44.11 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 -0.99 0.00 -1.00 -0.67 4.20 -0.38 -1.29 115.11 114.99 1l3g h GLN 95 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1l3g h GLN 95 Cb 0.53 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1l3g h GLN 95 CO 0.00 0.01 0.01 1.28 -0.67 0.00 0.00 178.83 179.46 1l3g n LEU 96 N -4.50 2.05 -0.00 1.46 4.77 0.19 -4.04 117.00 116.92 1l3g n LEU 96 Ca -0.03 -1.03 -0.13 0.00 -0.03 0.00 0.00 56.01 54.79 1l3g n LEU 96 Cb 0.10 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 1l3g n LEU 96 CO 0.34 0.38 0.67 0.50 -1.33 0.00 0.00 177.39 177.95 1l3g h LYS 97 N 0.05 -0.00 -0.23 3.23 3.64 -1.41 -1.44 116.57 120.41 1l3g h LYS 97 Ca 0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1l3g h LYS 97 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1l3g h LYS 97 CO 0.02 0.41 -0.12 -1.00 -2.27 0.00 0.00 179.45 176.49 1l3g h PRO 98 N -0.41 0.48 -0.50 1.90 0.13 -1.84 -0.40 132.00 131.37 1l3g h PRO 98 Ca -0.00 -0.21 0.04 0.00 -0.87 0.00 0.00 66.00 64.96 1l3g h PRO 98 Cb 0.41 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 1l3g h PRO 98 CO 0.00 0.76 0.33 1.25 -0.23 0.00 0.00 178.00 180.11 1l3g h LEU 99 N 0.19 0.44 0.00 1.56 5.85 -1.79 0.10 115.31 121.65 1l3g h LEU 99 Ca 0.05 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1l3g h LEU 99 Cb 0.62 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1l3g h LEU 99 CO 0.03 0.29 -0.48 -0.26 -0.34 0.00 0.00 178.44 177.69 1l3g h PHE 100 N 0.50 0.00 -0.00 1.25 -1.00 -1.06 -3.33 116.94 113.30 1l3g h PHE 100 Ca 0.21 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 1l3g h PHE 100 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1l3g h PHE 100 CO -0.00 0.19 -0.06 -0.44 -1.61 0.00 0.00 178.31 176.39 1l3g h ASP 101 N 0.00 0.05 -1.27 2.17 3.32 0.73 -3.49 116.42 117.93 1l3g h ASP 101 Ca -0.02 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.25 1l3g h ASP 101 Cb 1.16 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1l3g h ASP 101 CO 0.02 0.83 0.00 0.33 -1.72 0.00 0.00 179.24 178.70 1l3g n PHE 102 N -4.66 0.00 -2.81 4.55 7.35 -0.47 -4.28 117.46 117.14 1l3g n PHE 102 Ca -0.09 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.16 1l3g n PHE 102 Cb 0.41 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.23 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 -3.05 4.57 -0.27 -2.13 2.01 -1.26 -4.97 115.64 110.54 1l3g s THR 103 Ca 0.00 -1.72 -0.18 0.00 0.31 0.00 0.00 61.69 60.10 1l3g s THR 103 Cb 0.00 -4.92 -0.02 0.00 0.01 0.00 0.00 72.50 67.57 1l3g s THR 103 CO 0.00 -1.69 0.53 -1.58 -0.69 0.00 0.00 174.62 171.20 1l3g s GLN 104 N 3.06 4.04 0.56 4.92 -0.44 -1.26 -5.03 119.66 125.52 1l3g s GLN 104 Ca 0.40 0.32 -0.10 0.00 -2.50 0.00 0.00 55.36 53.48 1l3g s GLN 104 Cb -0.02 -3.66 -0.04 0.00 -1.64 0.00 0.00 33.01 27.64 1l3g s GLN 104 CO -0.05 -0.39 0.95 0.99 0.50 0.00 0.00 175.29 177.30 1l3g s THR 105 N 2.35 4.74 -0.56 -0.34 2.01 -1.26 -4.82 115.64 117.77 1l3g s THR 105 Ca 0.22 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1l3g s THR 105 Cb -0.16 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1l3g s THR 105 CO 0.09 -1.00 0.00 -0.90 -0.69 0.00 0.00 174.62 172.13 1l3g n ASP 106 N -2.44 0.00 0.00 3.53 5.68 -1.26 -4.14 116.55 117.93 1l3g n ASP 106 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1l3g n ASP 106 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1l3g n GLY 107 N 0.48 1.50 3.87 6.12 0.00 -1.26 -5.08 105.19 110.82 1l3g n GLY 107 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1l3g n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3g s SER 108 N -2.25 4.41 0.43 1.61 0.01 -1.26 -4.98 113.70 111.68 1l3g s SER 108 Ca 0.00 0.86 -0.11 0.00 1.31 0.00 0.00 55.95 58.01 1l3g s SER 108 Cb 0.00 -1.41 -0.08 0.00 0.21 0.00 0.00 66.02 64.74 1l3g s SER 108 CO 0.00 -1.98 -0.61 0.00 0.41 0.00 0.00 173.24 171.06 1l3g n ALA 109 N -3.38 -1.92 -2.15 1.44 0.00 -1.26 -4.50 120.51 108.75 1l3g n ALA 109 Ca 0.08 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 1l3g n ALA 109 Cb 0.60 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1l3g n ALA 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1l3g s SER 110 N -0.47 5.82 0.47 0.00 1.04 -1.26 -4.96 113.70 114.35 1l3g s SER 110 Ca 0.14 0.73 -0.23 0.00 0.48 0.00 0.00 55.95 57.06 1l3g s SER 110 Cb 0.04 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 1l3g s SER 110 CO 0.26 -1.87 1.26 -2.16 0.98 0.00 0.00 173.24 171.71 1l3g s PRO 111 N 5.93 3.62 0.18 4.02 0.04 -1.26 -4.94 135.00 142.59 1l3g s PRO 111 Ca 0.67 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.41 1l3g s PRO 111 Cb -0.16 -2.45 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 1l3g s PRO 111 CO 0.28 -0.73 1.46 -1.25 0.04 0.00 0.00 177.00 176.80 1l3g s PRO 112 N -2.65 4.27 0.00 0.56 0.04 -1.26 -5.01 135.00 130.95 1l3g s PRO 112 Ca 0.64 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1l3g s PRO 112 Cb -0.35 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1l3g s PRO 112 CO 0.42 -0.48 0.00 -2.30 0.04 0.00 0.00 177.00 174.68 1l3g n PRO 113 N 3.37 0.00 -0.85 0.56 -0.02 -1.26 -4.84 135.00 131.96 1l3g n PRO 113 Ca 0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 1l3g n PRO 113 Cb 0.40 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.95 1l3g n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l3g n ALA 114 N -3.00 -3.59 -1.68 3.55 0.00 -1.21 -4.67 120.51 109.91 1l3g n ALA 114 Ca 0.00 -1.17 -0.48 0.00 0.00 0.00 0.00 53.44 51.80 1l3g n ALA 114 Cb 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 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 0.96 2.21 -1.59 0.00 -0.02 -1.26 -4.84 135.00 130.46 1l3g n PRO 115 Ca -0.00 0.81 -0.52 0.00 -2.02 0.00 0.00 63.50 61.76 1l3g n PRO 115 Cb 0.59 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 1l3g n PRO 115 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1l3g n LYS 116 N 6.04 1.14 -4.32 -0.52 3.00 -1.26 -4.95 118.16 117.28 1l3g n LYS 116 Ca 0.21 0.41 -0.28 0.00 -0.00 0.00 0.00 58.31 58.65 1l3g n LYS 116 Cb 0.30 -2.05 -0.17 0.00 0.00 0.00 0.00 35.03 33.11 1l3g n LYS 116 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1l3g s HIS 117 N 0.48 1.86 0.02 5.64 5.65 -1.26 -5.11 115.29 122.58 1l3g s HIS 117 Ca 0.85 -0.89 -0.30 0.00 0.25 0.00 0.00 55.06 54.96 1l3g s HIS 117 Cb -0.96 -1.37 -0.04 0.00 -1.18 0.00 0.00 32.58 29.03 1l3g s HIS 117 CO 0.47 -0.49 1.08 -3.38 -0.65 0.00 0.00 174.74 171.77 1l3g s HIS 118 N 1.13 3.56 0.75 3.88 -3.43 -1.26 -5.01 115.29 114.92 1l3g s HIS 118 Ca -0.04 1.52 -0.14 0.00 -0.80 0.00 0.00 55.06 55.61 1l3g s HIS 118 Cb -0.14 -3.25 0.05 0.00 -1.43 0.00 0.00 32.58 27.81 1l3g s HIS 118 CO -0.03 -0.56 1.17 -3.38 -2.00 0.00 0.00 174.74 169.93 1l3g s HIS 119 N 1.06 2.14 0.43 0.38 -3.43 -1.26 -4.91 115.29 109.70 1l3g s HIS 119 Ca 0.55 1.62 -0.12 0.00 -0.80 0.00 0.00 55.06 56.31 1l3g s HIS 119 Cb -0.25 -3.35 -0.08 0.00 -1.43 0.00 0.00 32.58 27.47 1l3g s HIS 119 CO 0.28 -2.38 -0.65 0.00 -2.00 0.00 0.00 174.74 170.00 1l3g n ALA 120 N -3.01 -2.66 -3.63 -1.38 0.00 -1.26 -4.88 120.51 103.69 1l3g n ALA 120 Ca 0.12 -0.58 -0.35 0.00 0.00 0.00 0.00 53.44 52.64 1l3g n ALA 120 Cb 0.51 -0.36 -0.14 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.43 4.17 -0.70 0.00 0.15 -1.26 -5.06 113.70 110.56 1l3g s SER 121 Ca 0.16 -0.57 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 1l3g s SER 121 Cb 0.03 -1.69 0.18 0.00 -1.71 0.00 0.00 66.02 62.84 1l3g s SER 121 CO 0.29 -0.05 0.56 -0.54 1.20 0.00 0.00 173.24 174.70 1l3g s LYS 122 N 1.41 2.94 -0.38 5.44 1.02 -1.26 -5.02 119.74 123.89 1l3g s LYS 122 Ca 0.04 -2.55 -0.02 0.00 0.02 0.00 0.00 55.97 53.46 1l3g s LYS 122 Cb -0.15 -3.97 0.09 0.00 -0.52 0.00 0.00 37.83 33.29 1l3g s LYS 122 CO -0.05 -1.22 0.14 0.14 -0.92 0.00 0.00 175.35 173.45 1l3g s VAL 123 N -0.06 3.18 -2.52 3.17 -7.23 -1.26 -5.32 120.40 110.36 1l3g s VAL 123 Ca 0.18 -1.87 0.28 0.00 -1.81 0.00 0.00 61.98 58.75 1l3g s VAL 123 Cb -0.17 -3.09 0.53 0.00 0.56 0.00 0.00 36.38 34.22 1l3g s VAL 123 CO -0.05 -0.52 1.72 -0.67 -0.31 0.00 0.00 175.10 175.26