#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3g h ASN 3 N 0.00 0.00 -2.58 6.43 -0.73 -2.01 -3.29 115.58 113.40 1l3g h ASN 3 Ca 0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.96 1l3g h ASN 3 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 38.32 38.69 1l3g h ASN 3 CO 0.00 0.61 0.10 0.00 -0.37 0.00 0.00 177.43 177.77 1l3g n GLN 4 N -3.37 -1.72 -3.77 6.67 6.02 -1.26 -3.26 117.38 116.70 1l3g n GLN 4 Ca 0.01 -0.94 -0.36 0.00 -0.01 0.00 0.00 57.00 55.70 1l3g n GLN 4 Cb 0.73 -0.80 -0.11 0.00 1.02 0.00 0.00 30.24 31.08 1l3g n GLN 4 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1l3g s ILE 5 N -2.14 3.42 0.98 5.09 1.10 -1.26 -4.32 121.20 124.07 1l3g s ILE 5 Ca 0.37 -2.65 -0.11 0.00 -0.51 0.00 0.00 60.65 57.75 1l3g s ILE 5 Cb -0.03 -3.29 0.18 0.00 0.15 0.00 0.00 42.46 39.47 1l3g s ILE 5 CO 0.28 -0.80 1.09 -0.31 -2.11 0.00 0.00 174.94 173.09 1l3g s TYR 6 N 0.38 1.76 0.12 3.50 2.02 -1.03 -4.83 117.35 119.27 1l3g s TYR 6 Ca 0.14 1.46 0.10 0.00 -0.37 0.00 0.00 57.07 58.39 1l3g s TYR 6 Cb -0.22 -3.20 -0.04 0.00 -0.40 0.00 0.00 41.96 38.10 1l3g s TYR 6 CO -0.04 -2.99 -0.22 0.45 -1.57 0.00 0.00 175.55 171.18 1l3g s SER 7 N -2.85 3.63 0.11 2.29 0.15 -1.21 -0.51 113.70 115.32 1l3g s SER 7 Ca 0.66 -0.64 -0.12 0.00 0.70 0.00 0.00 55.95 56.55 1l3g s SER 7 Cb -0.22 -0.40 0.02 0.00 -1.71 0.00 0.00 66.02 63.70 1l3g s SER 7 CO 0.60 0.18 0.30 0.00 1.20 0.00 0.00 173.24 175.52 1l3g s ALA 8 N -1.10 -0.57 -0.13 5.45 0.00 1.73 -4.30 121.76 122.84 1l3g s ALA 8 Ca 0.16 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1l3g s ALA 8 Cb -0.10 0.61 0.06 0.00 0.00 0.00 0.00 23.12 23.69 1l3g s ALA 8 CO 0.08 -0.59 0.26 -0.98 0.00 0.00 0.00 175.76 174.54 1l3g s ARG 9 N -3.84 0.16 0.25 0.00 1.70 -1.25 0.94 118.95 116.91 1l3g s ARG 9 Ca 0.05 0.72 -0.04 0.00 -0.47 0.00 0.00 55.73 55.98 1l3g s ARG 9 Cb 0.03 -0.05 -0.02 0.00 -0.57 0.00 0.00 34.95 34.34 1l3g s ARG 9 CO -0.11 -0.26 0.31 0.71 -1.08 0.00 0.00 175.30 174.87 1l3g s TYR 10 N 2.23 0.97 -1.46 5.89 1.51 0.16 -4.77 117.35 121.88 1l3g s TYR 10 Ca -0.01 -1.20 -0.09 0.00 -1.01 0.00 0.00 57.07 54.77 1l3g s TYR 10 Cb -0.12 -0.27 0.03 0.00 -0.11 0.00 0.00 41.96 41.50 1l3g s TYR 10 CO -0.09 -0.86 0.86 0.45 -1.11 0.00 0.00 175.55 174.81 1l3g n SER 11 N -0.65 -5.66 0.00 2.29 2.88 -1.26 -0.60 113.62 110.62 1l3g n SER 11 Ca 0.01 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1l3g n SER 11 Cb 0.64 -4.53 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 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 -1.68 1.73 3.17 0.46 0.00 -1.26 -4.93 105.19 102.68 1l3g n GLY 12 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1l3g n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1l3g s VAL 13 N -2.23 1.65 0.53 1.61 -7.23 0.23 -5.13 120.40 109.83 1l3g s VAL 13 Ca 0.00 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.20 1l3g s VAL 13 Cb 0.00 -1.42 -0.07 0.00 0.56 0.00 0.00 36.38 35.45 1l3g s VAL 13 CO 0.00 0.47 0.98 -0.62 -0.31 0.00 0.00 175.10 175.62 1l3g s ASP 14 N 0.13 6.54 0.34 4.85 -1.08 -1.26 0.38 116.67 126.57 1l3g s ASP 14 Ca -0.08 1.51 -0.01 0.00 -0.52 0.00 0.00 52.55 53.46 1l3g s ASP 14 Cb -0.14 -2.49 -0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1l3g s ASP 14 CO 0.04 -0.63 0.44 0.68 0.52 0.00 0.00 175.17 176.22 1l3g s VAL 15 N -2.72 0.00 -0.07 1.11 -7.23 5.89 0.12 120.40 117.50 1l3g s VAL 15 Ca 0.58 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 1l3g s VAL 15 Cb -0.10 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1l3g s VAL 15 CO 0.36 0.00 -0.18 -0.72 -0.31 0.00 0.00 175.10 174.24 1l3g s TYR 16 N -3.10 2.62 -0.28 2.82 -0.85 -0.66 0.48 117.35 118.38 1l3g s TYR 16 Ca 0.32 -0.51 0.03 0.00 -0.52 0.00 0.00 57.07 56.39 1l3g s TYR 16 Cb 0.00 -1.67 0.07 0.00 0.38 0.00 0.00 41.96 40.74 1l3g s TYR 16 CO 0.21 -0.08 -0.06 -1.83 -1.52 0.00 0.00 175.55 172.28 1l3g s GLU 17 N -0.23 1.97 0.08 -3.49 -1.05 0.34 0.16 118.70 116.48 1l3g s GLU 17 Ca -0.00 -1.48 0.08 0.00 -0.15 0.00 0.00 54.97 53.41 1l3g s GLU 17 Cb -0.13 -2.96 -0.04 0.00 -0.44 0.00 0.00 34.13 30.57 1l3g s GLU 17 CO 0.03 -0.68 -0.17 -0.06 0.95 0.00 0.00 175.26 175.32 1l3g s PHE 18 N 1.06 2.56 0.14 4.83 0.08 2.48 -2.47 117.98 126.67 1l3g s PHE 18 Ca -0.03 -0.25 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 1l3g s PHE 18 Cb -0.20 -1.41 -0.07 0.00 -0.57 0.00 0.00 43.02 40.77 1l3g s PHE 18 CO -0.06 0.32 0.94 -1.50 -0.10 0.00 0.00 175.22 174.82 1l3g s ILE 19 N -1.04 4.41 0.00 0.64 1.10 -1.20 1.42 121.20 126.53 1l3g s ILE 19 Ca 0.16 2.04 0.00 0.00 -0.51 0.00 0.00 60.65 62.34 1l3g s ILE 19 Cb -0.11 -4.31 0.00 0.00 0.15 0.00 0.00 42.46 38.20 1l3g s ILE 19 CO 0.08 0.37 0.00 1.41 -2.11 0.00 0.00 174.94 174.69 1l3g n HIS 20 N 2.44 0.00 0.12 3.50 8.25 2.51 -4.76 115.22 127.28 1l3g n HIS 20 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1l3g n HIS 20 Cb 0.49 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.90 1l3g n HIS 20 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1l3g h SER 21 N 0.00 0.19 -0.48 0.41 0.02 -1.91 -1.95 113.55 109.83 1l3g h SER 21 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1l3g h SER 21 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1l3g h SER 21 CO 0.00 0.50 0.00 1.07 -1.14 0.00 0.00 176.83 177.26 1l3g n THR 22 N -4.13 1.66 0.00 -2.27 5.66 -1.26 -4.91 114.28 109.03 1l3g n THR 22 Ca -0.01 -0.96 0.00 0.00 -3.05 0.00 0.00 64.05 60.03 1l3g n THR 22 Cb 0.39 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 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 0.77 1.27 3.89 1.09 0.00 -0.73 -4.88 105.19 106.60 1l3g n GLY 23 Ca 0.20 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1l3g n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3g s SER 24 N -4.00 6.37 -0.18 1.61 0.15 -1.25 0.60 113.70 116.99 1l3g s SER 24 Ca 0.00 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.04 1l3g s SER 24 Cb 0.00 -2.03 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 1l3g s SER 24 CO 0.00 0.34 -0.08 -0.63 1.20 0.00 0.00 173.24 174.07 1l3g s ILE 25 N -1.17 3.20 0.41 6.45 1.01 14.00 -4.35 121.20 140.75 1l3g s ILE 25 Ca 0.21 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1l3g s ILE 25 Cb -0.12 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1l3g s ILE 25 CO 0.11 0.47 0.52 -0.04 0.00 0.00 0.00 174.94 176.00 1l3g s MET 26 N 1.03 2.79 -0.03 2.79 -1.94 -1.03 0.59 119.30 123.50 1l3g s MET 26 Ca -0.00 -1.28 -0.16 0.00 -1.71 0.00 0.00 55.69 52.53 1l3g s MET 26 Cb -0.15 -2.68 0.03 0.00 2.01 0.00 0.00 34.83 34.04 1l3g s MET 26 CO -0.01 -0.23 0.35 0.21 -0.01 0.00 0.00 175.02 175.33 1l3g s LYS 27 N -4.29 0.68 -0.01 2.03 2.20 0.43 -4.00 119.74 116.78 1l3g s LYS 27 Ca 0.53 -0.09 -0.23 0.00 -0.36 0.00 0.00 55.97 55.82 1l3g s LYS 27 Cb -0.09 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1l3g s LYS 27 CO 0.32 -0.19 0.69 0.50 -0.36 0.00 0.00 175.35 176.31 1l3g s ARG 28 N -1.18 4.42 0.22 4.03 3.52 -1.22 -1.65 118.95 127.10 1l3g s ARG 28 Ca -0.12 0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 56.34 1l3g s ARG 28 Cb -0.05 -3.39 0.21 0.00 -1.56 0.00 0.00 34.95 30.16 1l3g s ARG 28 CO 0.04 0.22 1.65 -0.22 -0.81 0.00 0.00 175.30 176.18 1l3g h LYS 29 N 6.09 0.78 0.46 5.12 3.64 0.62 8.74 116.57 142.02 1l3g h LYS 29 Ca -0.43 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 58.63 1l3g h LYS 29 Cb 1.20 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1l3g h LYS 29 CO 0.72 0.91 -0.22 0.87 -2.27 0.00 0.00 179.45 179.46 1l3g h LYS 30 N 0.68 -0.59 -0.07 1.90 1.79 -1.93 -3.32 116.57 115.02 1l3g h LYS 30 Ca 0.10 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1l3g h LYS 30 Cb 0.69 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1l3g h LYS 30 CO 0.05 -0.34 0.00 -0.25 -1.08 0.00 0.00 179.45 177.83 1l3g n ASP 31 N -5.31 1.86 -3.93 0.86 9.92 -1.22 -5.02 116.55 113.71 1l3g n ASP 31 Ca -0.11 -1.57 -0.35 0.00 -0.53 0.00 0.00 54.79 52.23 1l3g n ASP 31 Cb 0.28 -0.05 0.01 0.00 -0.64 0.00 0.00 41.12 40.73 1l3g n ASP 31 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1l3g n ASP 32 N 0.11 -4.49 -4.91 -2.24 9.92 2.79 -3.91 116.55 113.83 1l3g n ASP 32 Ca 0.04 -1.13 -0.27 0.00 -0.53 0.00 0.00 54.79 52.89 1l3g n ASP 32 Cb 0.21 -1.59 -0.01 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 3.55 0.05 1.24 0.52 -1.19 0.13 118.94 120.01 1l3g s TRP 33 Ca 0.22 0.77 0.06 0.00 0.02 0.00 0.00 56.10 57.16 1l3g s TRP 33 Cb -0.12 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1l3g s TRP 33 CO 0.93 -0.20 -0.10 0.08 0.02 0.00 0.00 176.95 177.69 1l3g s VAL 34 N -2.63 3.37 -0.58 4.03 1.01 12.38 -3.41 120.40 134.56 1l3g s VAL 34 Ca 0.47 -1.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 1l3g s VAL 34 Cb -0.10 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1l3g s VAL 34 CO 0.42 0.27 2.15 0.54 0.00 0.00 0.00 175.10 178.48 1l3g s ASN 35 N -1.73 4.81 0.50 3.32 4.22 -1.25 1.21 114.94 126.01 1l3g s ASN 35 Ca 0.18 0.62 0.38 0.00 -2.14 0.00 0.00 52.86 51.90 1l3g s ASN 35 Cb -0.11 -2.52 1.30 0.00 1.28 0.00 0.00 41.25 41.20 1l3g s ASN 35 CO 0.10 -2.71 1.30 0.00 -2.04 0.00 0.00 177.10 173.75 1l3g n ALA 36 N 14.58 1.43 -0.17 3.54 0.00 2.52 0.14 120.51 142.55 1l3g n ALA 36 Ca 0.30 0.49 -0.06 0.00 0.00 0.00 0.00 53.44 54.17 1l3g n ALA 36 Cb 0.53 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 1.10 0.00 0.00 2.02 -1.82 5.01 112.91 119.21 1l3g h THR 37 Ca 0.71 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.61 1l3g h THR 37 Cb 3.10 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 1l3g h THR 37 CO -0.01 0.12 -0.23 -0.74 0.37 0.00 0.00 175.52 175.03 1l3g h HIS 38 N 0.66 0.00 0.00 3.16 6.17 0.86 6.19 115.15 132.19 1l3g h HIS 38 Ca 0.19 0.00 -0.15 0.00 0.71 0.00 0.00 60.37 61.13 1l3g h HIS 38 Cb -0.04 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.87 1l3g h HIS 38 CO -0.05 0.23 -1.00 -0.89 0.71 0.00 0.00 177.93 176.93 1l3g n ILE 39 N -4.02 1.49 -0.10 6.26 -0.00 -0.24 -3.57 119.36 119.18 1l3g n ILE 39 Ca -0.02 0.06 -0.22 0.00 -0.00 0.00 0.00 62.75 62.57 1l3g n ILE 39 Cb 0.30 -2.18 -0.12 0.00 -0.00 0.00 0.00 39.64 37.65 1l3g n ILE 39 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1l3g n LEU 40 N -4.50 1.91 0.25 1.39 7.94 1.62 -3.92 117.00 121.69 1l3g n LEU 40 Ca -0.23 0.40 0.11 0.00 -1.11 0.00 0.00 56.01 55.19 1l3g n LEU 40 Cb 0.52 -0.97 0.65 0.00 0.53 0.00 0.00 43.42 44.15 1l3g n LEU 40 CO 0.15 0.33 0.92 0.50 -1.11 0.00 0.00 177.39 178.18 1l3g h LYS 41 N -0.94 0.00 0.00 1.96 3.64 0.17 0.95 116.57 122.35 1l3g h LYS 41 Ca -0.37 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1l3g h LYS 41 Cb 1.37 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1l3g h LYS 41 CO -0.21 0.16 -0.03 0.00 -2.27 0.00 0.00 179.45 177.10 1l3g h ALA 42 N 1.84 1.01 0.00 5.00 0.00 1.21 0.07 119.26 128.39 1l3g h ALA 42 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1l3g h ALA 42 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1l3g h ALA 42 CO 0.02 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1l3g n ALA 43 N -2.11 1.87 -0.60 0.00 0.00 -0.61 -4.72 120.51 114.33 1l3g n ALA 43 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1l3g n ALA 43 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1l3g n ALA 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1l3g n ASN 44 N -0.27 0.77 -1.38 0.00 0.23 0.32 -5.05 115.26 109.87 1l3g n ASN 44 Ca 0.00 -1.37 0.03 0.00 -0.53 0.00 0.00 54.58 52.72 1l3g n ASN 44 Cb 0.03 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.72 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 -0.18 -3.07 -3.08 -2.53 3.01 0.00 -4.56 117.46 107.05 1l3g n PHE 45 Ca 0.00 1.67 -0.45 0.00 1.01 0.00 0.00 57.45 59.68 1l3g n PHE 45 Cb 0.38 -2.62 -0.03 0.00 -0.01 0.00 0.00 39.48 37.20 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 -4.92 3.58 0.00 4.37 0.00 -1.26 -4.17 121.76 119.36 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 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.34 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 5.77 0.63 0.04 0.00 4.81 -1.26 -4.87 118.16 123.27 1l3g n LYS 47 Ca 0.13 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.79 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 2.27 0.04 3.14 0.00 -1.97 0.33 119.26 124.06 1l3g h ALA 48 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1l3g h ALA 48 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1l3g h ALA 48 CO 0.00 -0.80 -0.02 0.87 0.00 0.00 0.00 179.25 179.30 1l3g h LYS 49 N 0.00 -0.05 0.00 0.00 6.56 -1.92 -2.75 116.57 118.41 1l3g h LYS 49 Ca 0.25 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.83 1l3g h LYS 49 Cb 1.31 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.98 1l3g h LYS 49 CO -0.00 0.36 -0.03 -0.09 -2.06 0.00 0.00 179.45 177.63 1l3g h ARG 50 N -0.47 0.00 -0.31 3.15 9.65 -0.56 0.30 114.38 126.15 1l3g h ARG 50 Ca -0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.75 1l3g h ARG 50 Cb 0.43 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1l3g h ARG 50 CO 0.01 0.03 -0.31 1.15 2.80 0.00 0.00 179.97 183.65 1l3g h THR 51 N 0.00 1.28 0.00 0.20 2.02 -0.98 -0.81 112.91 114.62 1l3g h THR 51 Ca -0.00 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.75 1l3g h THR 51 Cb 0.08 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1l3g h THR 51 CO 0.00 0.46 -0.07 -1.14 0.37 0.00 0.00 175.52 175.14 1l3g n ARG 52 N -4.08 0.06 -0.30 6.66 3.00 -0.39 -2.51 116.66 119.10 1l3g n ARG 52 Ca -0.01 0.25 0.14 0.00 -0.00 0.00 0.00 57.85 58.24 1l3g n ARG 52 Cb 0.47 -0.84 0.32 0.00 0.00 0.00 0.00 32.46 32.41 1l3g n ARG 52 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1l3g h ILE 53 N -0.13 0.37 0.51 5.15 2.04 -0.63 2.68 117.51 127.51 1l3g h ILE 53 Ca 0.00 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1l3g h ILE 53 Cb 0.07 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1l3g h ILE 53 CO 0.00 0.05 -0.24 0.25 0.00 0.00 0.00 178.15 178.21 1l3g h LEU 54 N 0.30 -0.58 -0.42 1.44 6.46 -1.23 0.73 115.31 122.01 1l3g h LEU 54 Ca 0.58 -0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.32 1l3g h LEU 54 Cb 1.17 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.22 1l3g h LEU 54 CO -0.60 -0.18 0.25 -0.33 -0.62 0.00 0.00 178.44 176.96 1l3g h GLU 55 N -1.10 0.49 0.00 1.25 5.08 -0.92 4.16 114.58 123.53 1l3g h GLU 55 Ca -0.07 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1l3g h GLU 55 Cb 0.59 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1l3g h GLU 55 CO 0.11 0.32 -0.43 -0.22 -1.00 0.00 0.00 179.01 177.80 1l3g h LYS 56 N 0.50 0.00 0.09 2.33 1.63 0.46 0.90 116.57 122.48 1l3g h LYS 56 Ca 0.17 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.61 1l3g h LYS 56 Cb 0.01 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1l3g h LYS 56 CO -0.08 0.43 -2.00 -1.91 -3.45 0.00 0.00 179.45 172.44 1l3g n GLU 57 N -3.62 0.72 -0.09 1.90 4.07 0.26 -4.58 120.64 119.29 1l3g n GLU 57 Ca -0.01 0.28 -0.14 0.00 -0.06 0.00 0.00 57.16 57.24 1l3g n GLU 57 Cb 0.53 -1.68 -0.08 0.00 -0.06 0.00 0.00 31.44 30.14 1l3g n GLU 57 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1l3g n VAL 58 N -3.58 1.05 -0.23 6.31 0.24 1.36 -3.73 118.33 119.75 1l3g n VAL 58 Ca -0.35 -0.38 0.11 0.00 -2.04 0.00 0.00 64.34 61.68 1l3g n VAL 58 Cb 0.99 -1.23 0.21 0.00 -1.47 0.00 0.00 33.84 32.35 1l3g n VAL 58 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1l3g n LEU 59 N -3.14 -0.05 -0.01 1.34 0.00 0.31 0.23 117.00 115.68 1l3g n LEU 59 Ca -0.33 1.12 -0.06 0.00 0.00 0.00 0.00 56.01 56.73 1l3g n LEU 59 Cb 0.84 -0.42 -0.13 0.00 0.00 0.00 0.00 43.42 43.71 1l3g n LEU 59 CO 0.16 -1.14 -0.48 1.17 0.00 0.00 0.00 177.39 177.10 1l3g n LYS 60 N -4.84 0.63 0.00 1.96 0.00 -1.17 -4.40 118.16 110.34 1l3g n LYS 60 Ca 0.16 0.27 0.00 0.00 0.00 0.00 0.00 58.31 58.74 1l3g n LYS 60 Cb 0.54 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.78 1l3g n LYS 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1l3g n GLU 61 N -2.99 0.00 -0.37 1.64 0.00 0.63 -4.87 120.64 114.68 1l3g n GLU 61 Ca -0.15 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1l3g n GLU 61 Cb 1.00 -0.85 0.00 0.00 0.00 0.00 0.00 31.44 31.59 1l3g n GLU 61 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1l3g n THR 62 N -1.10 0.00 -1.80 6.31 -1.04 0.73 -4.96 114.28 112.42 1l3g n THR 62 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1l3g n THR 62 Cb 0.00 0.14 -0.03 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.00 1.53 0.04 -1.42 -3.43 0.75 -4.30 115.29 108.45 1l3g s HIS 63 Ca 0.00 0.08 0.03 0.00 -0.80 0.00 0.00 55.06 54.38 1l3g s HIS 63 Cb 0.00 -4.07 -0.02 0.00 -1.43 0.00 0.00 32.58 27.06 1l3g s HIS 63 CO 0.00 -4.41 -0.10 -1.21 -2.00 0.00 0.00 174.74 167.02 1l3g s GLU 64 N 4.89 0.68 -0.24 -0.38 2.02 -1.26 -4.50 118.70 119.91 1l3g s GLU 64 Ca 0.85 -0.68 -0.15 0.00 0.02 0.00 0.00 54.97 55.02 1l3g s GLU 64 Cb -0.35 -0.59 -0.04 0.00 0.10 0.00 0.00 34.13 33.25 1l3g s GLU 64 CO 0.36 0.14 0.37 0.15 0.02 0.00 0.00 175.26 176.29 1l3g s LYS 65 N -1.19 4.07 -0.17 1.61 3.01 -1.19 -1.05 119.74 124.83 1l3g s LYS 65 Ca -0.03 0.08 -0.21 0.00 -1.01 0.00 0.00 55.97 54.80 1l3g s LYS 65 Cb -0.08 -3.61 -0.03 0.00 -1.01 0.00 0.00 37.83 33.11 1l3g s LYS 65 CO 0.01 -0.17 0.61 0.14 0.51 0.00 0.00 175.35 176.45 1l3g s VAL 66 N 1.74 5.05 0.05 3.17 -7.23 -1.08 -4.99 120.40 117.11 1l3g s VAL 66 Ca 0.16 1.17 -0.00 0.00 -1.81 0.00 0.00 61.98 61.50 1l3g s VAL 66 Cb -0.15 -3.93 -0.03 0.00 0.56 0.00 0.00 36.38 32.82 1l3g s VAL 66 CO 0.09 0.16 -0.04 0.00 -0.31 0.00 0.00 175.10 175.00 1l3g s GLN 67 N 1.60 0.56 0.00 4.82 0.00 -1.26 -4.44 119.66 120.94 1l3g s GLN 67 Ca 0.29 -1.05 0.00 0.00 -0.00 0.00 0.00 55.36 54.60 1l3g s GLN 67 Cb -0.16 0.09 0.00 0.00 0.00 0.00 0.00 33.01 32.94 1l3g s GLN 67 CO 0.11 -0.07 0.00 0.41 0.00 0.00 0.00 175.29 175.74 1l3g n GLY 68 N 0.55 1.18 0.00 2.60 0.00 -1.26 -3.70 105.19 104.56 1l3g n GLY 68 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.90 3.27 -0.02 0.00 -1.26 -5.04 105.19 101.03 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 3.66 0.00 1.61 0.08 -1.24 -4.40 117.98 115.69 1l3g s PHE 70 Ca 0.00 -2.19 0.00 0.00 0.12 0.00 0.00 56.93 54.86 1l3g s PHE 70 Cb 0.00 -3.65 0.00 0.00 -0.57 0.00 0.00 43.02 38.80 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 3.84 0.50 0.00 4.36 0.00 -1.26 -4.33 105.19 108.30 1l3g n GLY 71 Ca 0.12 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.16 0.20 0.07 1.61 0.00 -1.26 -1.63 118.16 114.98 1l3g n LYS 72 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 58.31 58.42 1l3g n LYS 72 Cb 0.17 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.64 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 0.06 5.64 0.05 -1.90 -3.36 116.97 117.46 1l3g h TYR 73 Ca 0.00 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.41 1l3g h TYR 73 Cb 0.21 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1l3g h TYR 73 CO 0.00 0.71 -2.13 0.00 -1.05 0.00 0.00 178.16 175.69 1l3g n GLN 74 N -3.14 0.69 0.00 4.88 10.64 -0.82 -4.51 117.38 125.12 1l3g n GLN 74 Ca -0.04 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 1l3g n GLN 74 Cb 0.85 -1.63 0.00 0.00 -0.86 0.00 0.00 30.24 28.60 1l3g n GLN 74 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1l3g n GLY 75 N 1.97 1.51 3.09 2.61 0.00 -0.65 -4.20 105.19 109.52 1l3g n GLY 75 Ca -0.39 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 4.49 -1.62 2.61 -2.24 -0.21 -2.64 114.28 114.67 1l3g n THR 76 Ca 0.00 -5.57 -0.31 0.00 -2.27 0.00 0.00 64.05 55.90 1l3g n THR 76 Cb 0.00 -2.30 0.06 0.00 -2.10 0.00 0.00 70.33 65.99 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 -2.06 3.07 0.11 4.78 -2.14 -1.20 0.60 118.94 122.10 1l3g s TRP 77 Ca 0.31 1.27 0.00 0.00 2.66 0.00 0.00 56.10 60.35 1l3g s TRP 77 Cb -0.01 -2.97 -0.04 0.00 -3.10 0.00 0.00 33.47 27.34 1l3g s TRP 77 CO -0.00 -1.38 -0.02 0.08 -2.66 0.00 0.00 176.95 172.97 1l3g s VAL 78 N -3.13 0.44 -0.26 -0.66 1.01 9.91 -3.98 120.40 123.73 1l3g s VAL 78 Ca 0.59 -1.90 -0.35 0.00 0.00 0.00 0.00 61.98 60.31 1l3g s VAL 78 Cb -0.14 -1.80 -0.12 0.00 0.00 0.00 0.00 36.38 34.33 1l3g s VAL 78 CO 0.54 -0.75 2.03 -2.65 0.00 0.00 0.00 175.10 174.27 1l3g n PRO 79 N -0.05 1.46 -0.30 2.72 -0.02 -1.26 1.34 135.00 138.89 1l3g n PRO 79 Ca -0.10 0.47 0.27 0.00 -2.02 0.00 0.00 63.50 62.12 1l3g n PRO 79 Cb 0.62 -2.51 0.60 0.00 -0.02 0.00 0.00 33.50 32.19 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 10.79 0.27 -1.13 2.45 6.46 0.93 3.31 115.31 138.39 1l3g h LEU 80 Ca -0.38 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.38 1l3g h LEU 80 Cb 1.30 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.21 1l3g h LEU 80 CO 0.99 0.05 0.08 -0.55 -0.62 0.00 0.00 178.44 178.39 1l3g h ASN 81 N 0.24 0.64 0.01 1.25 7.08 -1.86 -1.79 115.58 121.15 1l3g h ASN 81 Ca 0.56 -0.11 -0.37 0.00 -3.08 0.00 0.00 56.30 53.29 1l3g h ASN 81 Cb 1.72 -0.17 -0.07 0.00 -2.08 0.00 0.00 38.32 37.73 1l3g h ASN 81 CO -0.18 0.66 -2.40 0.00 -2.08 0.00 0.00 177.43 173.44 1l3g n ILE 82 N -4.28 1.42 0.37 6.14 3.06 0.22 -4.09 119.36 122.20 1l3g n ILE 82 Ca 0.03 -0.79 -0.18 0.00 -2.50 0.00 0.00 62.75 59.31 1l3g n ILE 82 Cb 0.23 -0.70 -0.09 0.00 0.54 0.00 0.00 39.64 39.62 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 0.77 -0.93 -0.35 1.51 0.00 0.58 -1.37 119.26 119.47 1l3g h ALA 83 Ca -0.55 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.25 1l3g h ALA 83 Cb 2.16 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1l3g h ALA 83 CO 0.00 -0.99 0.29 -0.22 0.00 0.00 0.00 179.25 178.33 1l3g h LYS 84 N -1.00 0.00 -0.08 0.00 3.64 -1.50 0.87 116.57 118.50 1l3g h LYS 84 Ca -0.10 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1l3g h LYS 84 Cb 0.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1l3g h LYS 84 CO 0.16 0.00 -0.68 0.37 -2.27 0.00 0.00 179.45 177.03 1l3g h GLN 85 N 0.00 0.35 0.04 1.90 4.15 -1.57 -1.55 115.11 118.43 1l3g h GLN 85 Ca 0.17 -0.27 -0.10 0.00 0.77 0.00 0.00 58.65 59.22 1l3g h GLN 85 Cb 0.74 0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.49 1l3g h GLN 85 CO -0.00 0.90 -0.40 1.25 -1.93 0.00 0.00 178.83 178.65 1l3g h LEU 86 N 0.25 0.28 -0.41 -2.39 5.85 0.21 -3.26 115.31 115.85 1l3g h LEU 86 Ca -0.02 -0.87 -0.02 0.00 0.84 0.00 0.00 57.88 57.81 1l3g h LEU 86 Cb 1.23 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1l3g h LEU 86 CO 0.11 1.12 0.19 0.00 -0.34 0.00 0.00 178.44 179.52 1l3g h ALA 87 N 0.16 0.52 -0.23 1.25 0.00 -1.22 -1.45 119.26 118.30 1l3g h ALA 87 Ca -0.06 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1l3g h ALA 87 Cb 1.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1l3g h ALA 87 CO 0.08 0.10 0.46 1.05 0.00 0.00 0.00 179.25 180.93 1l3g h GLU 88 N 0.51 0.00 0.00 0.00 4.11 -1.38 -1.02 114.58 116.80 1l3g h GLU 88 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1l3g h GLU 88 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1l3g h GLU 88 CO -0.02 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.23 1l3g n LYS 89 N -3.25 0.00 -0.32 1.06 3.00 -0.54 -4.59 118.16 113.52 1l3g n LYS 89 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.41 1l3g n LYS 89 Cb 0.57 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.82 1l3g n LYS 89 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1l3g n PHE 90 N 0.00 0.74 0.00 5.64 3.01 -1.24 -4.74 117.46 120.87 1l3g n PHE 90 Ca 0.00 -0.65 0.00 0.00 1.01 0.00 0.00 57.45 57.81 1l3g n PHE 90 Cb 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1l3g n PHE 90 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1l3g n SER 91 N 0.18 0.00 -0.04 4.37 2.88 -0.41 -4.86 113.62 115.74 1l3g n SER 91 Ca 0.17 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.76 1l3g n SER 91 Cb 0.65 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.00 1.48 -0.34 2.46 0.31 -1.16 -4.61 118.33 116.46 1l3g n VAL 92 Ca 0.00 -1.68 0.26 0.00 -0.01 0.00 0.00 64.34 62.91 1l3g n VAL 92 Cb 0.00 0.10 0.40 0.00 -0.91 0.00 0.00 33.84 33.43 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 -1.00 0.03 -0.09 3.52 9.36 -1.07 0.96 117.16 128.88 1l3g n TYR 93 Ca 0.09 0.03 -0.14 0.00 3.32 0.00 0.00 57.90 61.19 1l3g n TYR 93 Cb 0.46 -0.28 -0.07 0.00 -0.63 0.00 0.00 39.34 38.82 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 -2.99 1.84 0.30 2.98 8.00 -1.26 -4.15 116.55 121.26 1l3g n ASP 94 Ca 0.22 0.52 0.15 0.00 0.71 0.00 0.00 54.79 56.39 1l3g n ASP 94 Cb 0.98 -0.92 0.92 0.00 -0.02 0.00 0.00 41.12 42.08 1l3g n ASP 94 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1l3g h GLN 95 N -1.00 0.00 -0.94 -1.24 4.20 0.25 -0.93 115.11 115.44 1l3g h GLN 95 Ca -0.19 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 1l3g h GLN 95 Cb 0.94 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.63 1l3g h GLN 95 CO -0.12 0.01 0.18 1.28 -0.67 0.00 0.00 178.83 179.52 1l3g n LEU 96 N -3.77 4.00 -0.06 1.46 4.77 0.16 -4.44 117.00 119.12 1l3g n LEU 96 Ca -0.03 -2.07 -0.07 0.00 -0.03 0.00 0.00 56.01 53.81 1l3g n LEU 96 Cb 0.10 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1l3g n LEU 96 CO 0.27 0.62 0.76 0.11 -1.33 0.00 0.00 177.39 177.82 1l3g h LYS 97 N 0.81 -0.11 0.82 3.23 1.57 -1.33 1.11 116.57 122.66 1l3g h LYS 97 Ca 0.17 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1l3g h LYS 97 Cb 1.55 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.89 1l3g h LYS 97 CO 0.37 -0.08 -0.39 -1.00 -0.57 0.00 0.00 179.45 177.78 1l3g h PRO 98 N -0.12 -1.06 -0.99 3.15 0.13 -1.78 2.78 132.00 134.11 1l3g h PRO 98 Ca 0.14 0.07 0.11 0.00 -0.87 0.00 0.00 66.00 65.46 1l3g h PRO 98 Cb 0.34 0.24 -0.08 0.00 0.13 0.00 0.00 31.00 31.63 1l3g h PRO 98 CO -0.34 -0.70 0.63 1.25 -0.23 0.00 0.00 178.00 178.60 1l3g h LEU 99 N -1.29 0.91 0.00 1.56 6.46 -1.50 0.78 115.31 122.24 1l3g h LEU 99 Ca -0.11 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 1l3g h LEU 99 Cb 0.84 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1l3g h LEU 99 CO 0.18 0.50 -0.43 -0.26 -0.62 0.00 0.00 178.44 177.82 1l3g h PHE 100 N 0.99 0.00 0.00 1.25 -1.00 0.14 -3.20 116.94 115.12 1l3g h PHE 100 Ca 0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.26 1l3g h PHE 100 Cb 0.45 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1l3g h PHE 100 CO -0.00 0.19 0.00 -0.44 -1.61 0.00 0.00 178.31 176.44 1l3g h ASP 101 N 0.00 0.00 0.00 2.17 3.32 0.72 -3.46 116.42 119.17 1l3g h ASP 101 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1l3g h ASP 101 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1l3g h ASP 101 CO 0.02 0.00 0.00 0.33 -1.72 0.00 0.00 179.24 177.87 1l3g n PHE 102 N -2.35 0.00 0.00 4.55 -0.00 -0.26 -5.02 117.46 114.38 1l3g n PHE 102 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1l3g n PHE 102 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.90 1l3g n PHE 102 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1l3g n THR 103 N 0.00 0.00 -3.69 -2.13 -1.04 -1.24 -4.28 114.28 101.91 1l3g n THR 103 Ca 0.00 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.05 61.78 1l3g n THR 103 Cb 0.00 0.72 -0.01 0.00 -1.82 0.00 0.00 70.33 69.21 1l3g n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1l3g s GLN 104 N -0.11 3.18 0.32 -2.82 0.00 -1.26 -4.74 119.66 114.24 1l3g s GLN 104 Ca 0.00 -0.95 -0.29 0.00 -0.00 0.00 0.00 55.36 54.11 1l3g s GLN 104 Cb 0.00 -2.81 -0.12 0.00 0.00 0.00 0.00 33.01 30.09 1l3g s GLN 104 CO 0.00 0.20 1.54 -2.37 0.00 0.00 0.00 175.29 174.66 1l3g n THR 105 N -1.52 1.43 1.17 3.63 5.66 -1.26 -4.87 114.28 118.51 1l3g n THR 105 Ca -0.03 -0.36 0.11 0.00 -3.05 0.00 0.00 64.05 60.72 1l3g n THR 105 Cb 0.58 -1.93 0.37 0.00 -1.55 0.00 0.00 70.33 67.80 1l3g n THR 105 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1l3g n ASP 106 N 1.47 1.87 0.00 1.09 -0.08 -1.26 -4.88 116.55 114.75 1l3g n ASP 106 Ca 0.06 -1.71 0.00 0.00 -1.51 0.00 0.00 54.79 51.62 1l3g n ASP 106 Cb 0.37 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1l3g n ASP 106 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1l3g n GLY 107 N 1.18 2.06 3.96 0.27 0.00 -1.26 -5.04 105.19 106.36 1l3g n GLY 107 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.76 5.27 -0.31 1.61 0.01 -1.26 -4.91 113.70 112.36 1l3g s SER 108 Ca 0.00 0.18 -0.28 0.00 1.31 0.00 0.00 55.95 57.15 1l3g s SER 108 Cb 0.00 -1.07 -0.12 0.00 0.21 0.00 0.00 66.02 65.04 1l3g s SER 108 CO 0.00 -1.17 1.10 0.00 0.41 0.00 0.00 173.24 173.57 1l3g n ALA 109 N -2.45 -0.51 -2.55 1.44 0.00 -1.26 -4.78 120.51 110.40 1l3g n ALA 109 Ca 0.07 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 1l3g n ALA 109 Cb 0.59 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 2.47 6.44 1.20 0.00 1.04 -1.26 -5.00 113.70 118.59 1l3g s SER 110 Ca 0.68 -0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.88 1l3g s SER 110 Cb -0.92 -2.41 0.29 0.00 0.10 0.00 0.00 66.02 63.08 1l3g s SER 110 CO 0.47 -0.96 1.09 -2.16 0.98 0.00 0.00 173.24 172.67 1l3g s PRO 111 N 3.43 -1.23 0.70 4.02 0.04 -1.26 -4.98 135.00 135.71 1l3g s PRO 111 Ca 0.32 0.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.22 1l3g s PRO 111 Cb -0.11 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 32.86 1l3g s PRO 111 CO 0.24 -3.73 1.17 -1.25 0.04 0.00 0.00 177.00 173.47 1l3g s PRO 112 N -5.33 2.40 0.01 0.56 0.04 -1.26 -4.97 135.00 126.46 1l3g s PRO 112 Ca 0.70 1.64 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 1l3g s PRO 112 Cb -0.11 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.40 1l3g s PRO 112 CO 0.56 -1.61 1.19 -1.00 0.04 0.00 0.00 177.00 176.19 1l3g h PRO 113 N -0.11 -0.65 -7.20 0.56 0.13 -1.94 -3.45 132.00 119.34 1l3g h PRO 113 Ca -0.48 0.04 -0.43 0.00 -0.87 0.00 0.00 66.00 64.27 1l3g h PRO 113 Cb 1.28 0.15 0.20 0.00 0.13 0.00 0.00 31.00 32.75 1l3g h PRO 113 CO 0.51 -0.34 0.04 0.00 -0.23 0.00 0.00 178.00 177.98 1l3g s ALA 114 N -4.94 -0.15 0.80 -0.56 0.00 -1.26 -3.31 121.76 112.35 1l3g s ALA 114 Ca -0.14 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 1l3g s ALA 114 Cb 0.02 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 20.06 1l3g s ALA 114 CO 0.49 -3.75 0.91 -2.30 0.00 0.00 0.00 175.76 171.11 1l3g n PRO 115 N -4.87 0.18 -0.69 0.00 -0.02 -1.26 -4.56 135.00 123.78 1l3g n PRO 115 Ca 0.06 0.12 -0.25 0.00 -2.02 0.00 0.00 63.50 61.41 1l3g n PRO 115 Cb 0.57 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.78 1l3g n PRO 115 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1l3g n LYS 116 N -2.32 0.00 -4.46 -0.52 4.76 -1.26 -4.85 118.16 109.50 1l3g n LYS 116 Ca 0.12 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.28 1l3g n LYS 116 Cb 0.51 -0.75 -0.17 0.00 -1.84 0.00 0.00 35.03 32.78 1l3g n LYS 116 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1l3g s HIS 117 N 3.82 1.88 0.07 2.13 5.65 -1.26 -5.09 115.29 122.49 1l3g s HIS 117 Ca 0.64 -0.86 -0.35 0.00 0.25 0.00 0.00 55.06 54.74 1l3g s HIS 117 Cb -0.68 -1.37 -0.14 0.00 -1.18 0.00 0.00 32.58 29.21 1l3g s HIS 117 CO 0.28 -0.45 1.57 1.58 -0.65 0.00 0.00 174.74 177.08 1l3g n HIS 118 N 4.17 2.07 -1.67 3.88 -0.00 -1.26 -4.91 115.22 117.49 1l3g n HIS 118 Ca -0.19 0.34 -0.34 0.00 0.46 0.00 0.00 57.72 57.99 1l3g n HIS 118 Cb 0.51 -2.50 0.06 0.00 -0.12 0.00 0.00 29.99 27.94 1l3g n HIS 118 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1l3g s HIS 119 N 1.46 2.40 0.59 1.57 2.46 -1.26 -4.98 115.29 117.53 1l3g s HIS 119 Ca 0.84 1.57 -0.18 0.00 0.47 0.00 0.00 55.06 57.76 1l3g s HIS 119 Cb -0.78 -3.30 -0.04 0.00 -0.13 0.00 0.00 32.58 28.34 1l3g s HIS 119 CO 0.44 -2.04 1.13 0.00 -2.47 0.00 0.00 174.74 171.81 1l3g s ALA 120 N -2.16 2.60 -0.12 1.58 0.00 -1.26 -5.03 121.76 117.38 1l3g s ALA 120 Ca 0.70 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 1l3g s ALA 120 Cb -0.24 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1l3g s ALA 120 CO 0.42 -0.97 -0.06 -1.54 0.00 0.00 0.00 175.76 173.61 1l3g s SER 121 N -2.01 4.69 0.02 0.00 1.04 -1.26 -5.11 113.70 111.07 1l3g s SER 121 Ca 0.71 -0.09 0.05 0.00 0.48 0.00 0.00 55.95 57.10 1l3g s SER 121 Cb -0.23 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 1l3g s SER 121 CO 0.32 0.25 -0.10 -0.75 0.98 0.00 0.00 173.24 173.94 1l3g s LYS 122 N -0.12 2.38 0.00 4.02 2.20 -1.26 -5.12 119.74 121.84 1l3g s LYS 122 Ca 0.02 -0.82 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 1l3g s LYS 122 Cb -0.13 -2.39 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 1l3g s LYS 122 CO 0.03 0.58 -0.04 0.54 -0.36 0.00 0.00 175.35 176.09 1l3g s VAL 123 N -0.99 3.82 -2.00 4.02 0.11 -1.26 -5.34 120.40 118.76 1l3g s VAL 123 Ca 0.17 -0.72 0.13 0.00 -2.93 0.00 0.00 61.98 58.63 1l3g s VAL 123 Cb -0.11 -2.68 0.36 0.00 -1.53 0.00 0.00 36.38 32.42 1l3g s VAL 123 CO 0.07 0.39 1.19 -0.67 -3.33 0.00 0.00 175.10 172.75