#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g5r s ARG 28 N 0.00 4.43 0.27 3.49 6.06 -1.26 -4.27 118.95 127.67 1g5r s ARG 28 Ca 0.00 0.84 -0.29 0.00 -2.50 0.00 0.00 55.73 53.77 1g5r s ARG 28 Cb 0.00 -3.45 -0.09 0.00 0.06 0.00 0.00 34.95 31.47 1g5r s ARG 28 CO 0.00 0.07 1.18 0.20 -2.50 0.00 0.00 175.30 174.26 1g5r s GLY 29 N 0.78 2.95 0.45 8.12 0.00 0.11 -4.92 107.32 114.82 1g5r s GLY 29 Ca 0.36 1.01 0.05 0.00 0.00 0.00 0.00 44.72 46.15 1g5r s GLY 29 CO 0.17 1.70 0.09 -0.26 0.00 0.00 0.00 173.10 174.80 1g5r s ILE 30 N -0.90 1.80 -0.19 0.90 -4.36 -1.23 -4.71 121.20 112.51 1g5r s ILE 30 Ca 0.48 -1.87 -0.03 0.00 -0.26 0.00 0.00 60.65 58.96 1g5r s ILE 30 Cb -0.34 -2.67 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 1g5r s ILE 30 CO 0.43 0.00 -0.05 -0.63 0.24 0.00 0.00 174.94 174.93 1g5r s ILE 31 N -2.74 3.49 -0.03 8.37 1.01 -1.26 -0.37 121.20 129.67 1g5r s ILE 31 Ca 0.28 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1g5r s ILE 31 Cb 0.05 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1g5r s ILE 31 CO 0.15 0.45 -0.24 -0.63 0.00 0.00 0.00 174.94 174.67 1g5r s ILE 32 N 1.06 2.22 -0.08 2.92 1.01 0.21 -0.37 121.20 128.16 1g5r s ILE 32 Ca 0.01 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.66 1g5r s ILE 32 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1g5r s ILE 32 CO -0.00 0.58 -0.20 -0.69 0.00 0.00 0.00 174.94 174.62 1g5r s VAL 33 N -0.54 1.77 -0.38 2.92 1.01 0.44 -0.79 120.40 124.83 1g5r s VAL 33 Ca 0.08 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1g5r s VAL 33 Cb -0.11 -1.54 0.10 0.00 0.00 0.00 0.00 36.38 34.83 1g5r s VAL 33 CO 0.00 0.50 0.15 -0.36 0.00 0.00 0.00 175.10 175.38 1g5r s PHE 34 N 0.37 3.60 0.00 5.22 2.99 0.02 -1.13 117.98 129.05 1g5r s PHE 34 Ca -0.16 -2.51 0.00 0.00 0.00 0.00 0.00 56.93 54.26 1g5r s PHE 34 Cb -0.17 -3.04 0.00 0.00 0.00 0.00 0.00 43.02 39.81 1g5r s PHE 34 CO 0.07 -0.95 0.00 -2.37 -0.00 0.00 0.00 175.22 171.97 1g5r n THR 35 N 4.51 0.00 0.00 0.64 5.66 -0.87 -2.07 114.28 122.15 1g5r n THR 35 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1g5r n THR 35 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1g5r n THR 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1g5r n GLY 36 N 3.78 0.03 0.33 1.09 0.00 -1.26 0.22 105.19 109.38 1g5r n GLY 36 Ca 0.00 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1g5r n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g5r n ASN 37 N -0.61 1.32 -4.77 1.61 3.02 -0.89 -4.36 115.26 110.57 1g5r n ASN 37 Ca 0.00 -1.09 -0.33 0.00 -0.03 0.00 0.00 54.58 53.13 1g5r n ASN 37 Cb 0.00 0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.42 1g5r n ASN 37 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g5r s GLY 38 N -2.46 2.18 0.44 7.41 0.00 0.88 -4.72 107.32 111.06 1g5r s GLY 38 Ca 0.24 0.56 -0.22 0.00 0.00 0.00 0.00 44.72 45.30 1g5r s GLY 38 CO 0.52 0.91 1.01 0.54 0.00 0.00 0.00 173.10 176.08 1g5r s LYS 39 N -4.04 4.08 0.00 2.90 -0.14 -1.26 -4.31 119.74 116.96 1g5r s LYS 39 Ca 0.67 1.32 0.00 0.00 -1.36 0.00 0.00 55.97 56.60 1g5r s LYS 39 Cb -0.21 -2.28 0.00 0.00 -1.68 0.00 0.00 37.83 33.67 1g5r s LYS 39 CO 0.41 -0.19 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 1g5r n GLY 40 N -0.17 0.84 0.10 -3.33 0.00 -1.26 -5.02 105.19 96.35 1g5r n GLY 40 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1g5r n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g5r h LYS 41 N 1.79 0.08 -0.25 1.61 1.57 -1.91 0.16 116.57 119.62 1g5r h LYS 41 Ca 0.00 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1g5r h LYS 41 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1g5r h LYS 41 CO 0.00 0.05 -0.15 1.15 -0.57 0.00 0.00 179.45 179.94 1g5r h THR 42 N 0.08 1.31 -0.86 -0.16 2.02 -1.95 -2.50 112.91 110.85 1g5r h THR 42 Ca 0.08 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 1g5r h THR 42 Cb 0.08 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1g5r h THR 42 CO -0.12 0.39 0.48 0.71 0.37 0.00 0.00 175.52 177.35 1g5r h THR 43 N 0.25 1.25 0.17 3.16 1.35 -1.95 0.77 112.91 117.92 1g5r h THR 43 Ca 0.05 -0.60 0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1g5r h THR 43 Cb 0.66 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 1g5r h THR 43 CO 0.04 0.27 -0.20 0.00 -0.25 0.00 0.00 175.52 175.38 1g5r h ALA 44 N 1.26 -0.39 -0.46 6.62 0.00 -0.54 0.51 119.26 126.26 1g5r h ALA 44 Ca 0.30 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1g5r h ALA 44 Cb 0.01 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1g5r h ALA 44 CO -0.05 -0.75 0.22 0.00 0.00 0.00 0.00 179.25 178.67 1g5r h ALA 45 N 0.34 0.57 0.00 0.00 0.00 -1.09 -0.41 119.26 118.66 1g5r h ALA 45 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1g5r h ALA 45 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1g5r h ALA 45 CO -0.07 -0.15 -0.33 0.74 0.00 0.00 0.00 179.25 179.45 1g5r h PHE 46 N 0.43 0.00 -0.50 0.00 -1.00 -0.33 -2.12 116.94 113.41 1g5r h PHE 46 Ca 0.20 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.88 1g5r h PHE 46 Cb 0.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1g5r h PHE 46 CO -0.11 0.33 -0.07 0.78 -1.61 0.00 0.00 178.31 177.63 1g5r h GLY 47 N 1.43 1.01 0.99 -1.45 0.00 0.95 0.97 103.07 106.98 1g5r h GLY 47 Ca -0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 1g5r h GLY 47 CO 0.04 0.73 0.19 -0.84 0.00 0.00 0.00 176.54 176.66 1g5r h THR 48 N 0.79 1.23 -0.65 4.70 2.02 -0.81 -1.95 112.91 118.24 1g5r h THR 48 Ca 0.13 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 1g5r h THR 48 Cb 0.61 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1g5r h THR 48 CO 0.04 0.29 0.29 0.00 0.37 0.00 0.00 175.52 176.51 1g5r h ALA 49 N 1.05 0.85 -0.55 6.16 0.00 -1.22 -0.29 119.26 125.27 1g5r h ALA 49 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1g5r h ALA 49 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1g5r h ALA 49 CO -0.01 0.44 0.35 0.00 0.00 0.00 0.00 179.25 180.03 1g5r h ALA 50 N 1.13 0.70 -0.17 0.00 0.00 -0.45 0.22 119.26 120.68 1g5r h ALA 50 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1g5r h ALA 50 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1g5r h ALA 50 CO -0.02 0.16 0.08 -0.09 0.00 0.00 0.00 179.25 179.38 1g5r h ARG 51 N 0.74 0.24 -0.15 0.00 2.43 -1.06 -0.18 114.38 116.40 1g5r h ARG 51 Ca 0.20 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1g5r h ARG 51 Cb -0.05 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1g5r h ARG 51 CO -0.04 0.28 -0.12 0.00 -1.51 0.00 0.00 179.97 178.58 1g5r h ALA 52 N 0.95 -0.01 -0.90 2.80 0.00 -0.61 -0.11 119.26 121.39 1g5r h ALA 52 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1g5r h ALA 52 Cb 0.12 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1g5r h ALA 52 CO -0.01 -0.56 0.58 0.28 0.00 0.00 0.00 179.25 179.54 1g5r h VAL 53 N -0.13 1.24 -0.19 0.00 2.07 -0.78 -0.72 116.25 117.73 1g5r h VAL 53 Ca 0.09 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1g5r h VAL 53 Cb 0.27 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1g5r h VAL 53 CO -0.23 0.23 0.13 1.23 0.02 0.00 0.00 177.57 178.95 1g5r h GLY 54 N 1.22 0.11 -0.18 2.17 0.00 -0.41 0.90 103.07 106.87 1g5r h GLY 54 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1g5r h GLY 54 CO -0.07 0.03 0.00 1.42 0.00 0.00 0.00 176.54 177.92 1g5r n HIS 55 N -4.50 0.01 -0.49 5.60 8.25 -0.11 -4.95 115.22 119.04 1g5r n HIS 55 Ca 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1g5r n HIS 55 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1g5r n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g5r n GLY 56 N 1.13 0.75 3.84 -1.41 0.00 0.31 -5.06 105.19 104.75 1g5r n GLY 56 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1g5r n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g5r s LYS 57 N -0.51 3.30 -0.19 1.61 3.01 -0.69 -5.00 119.74 121.27 1g5r s LYS 57 Ca 0.00 0.90 -0.12 0.00 -1.01 0.00 0.00 55.97 55.74 1g5r s LYS 57 Cb 0.00 -2.04 -0.05 0.00 -1.01 0.00 0.00 37.83 34.73 1g5r s LYS 57 CO 0.00 -0.81 0.24 -0.80 0.51 0.00 0.00 175.35 174.49 1g5r s ASN 58 N -3.78 6.32 0.09 2.83 0.01 -1.26 -4.41 114.94 114.73 1g5r s ASN 58 Ca 0.57 0.37 0.07 0.00 -0.71 0.00 0.00 52.86 53.16 1g5r s ASN 58 Cb -0.13 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 1g5r s ASN 58 CO 0.51 0.10 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.31 1g5r s VAL 59 N 0.63 1.58 0.01 1.60 1.01 -1.26 -0.66 120.40 123.31 1g5r s VAL 59 Ca 0.13 -1.43 0.03 0.00 0.00 0.00 0.00 61.98 60.71 1g5r s VAL 59 Cb -0.13 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1g5r s VAL 59 CO 0.03 -0.05 -0.11 -0.83 0.00 0.00 0.00 175.10 174.14 1g5r s GLY 60 N -1.74 0.57 -0.01 4.51 0.00 -1.26 -3.49 107.32 105.89 1g5r s GLY 60 Ca 0.05 -0.57 0.04 0.00 0.00 0.00 0.00 44.72 44.24 1g5r s GLY 60 CO 0.03 -0.53 -0.13 0.14 0.00 0.00 0.00 173.10 172.62 1g5r s VAL 61 N -0.52 1.05 -0.09 1.40 1.01 -0.27 0.61 120.40 123.59 1g5r s VAL 61 Ca 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1g5r s VAL 61 Cb -0.06 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1g5r s VAL 61 CO 0.00 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 1g5r s VAL 62 N -0.28 1.10 -0.31 2.92 1.01 0.53 0.27 120.40 125.64 1g5r s VAL 62 Ca 0.04 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1g5r s VAL 62 Cb -0.06 -1.05 0.08 0.00 0.00 0.00 0.00 36.38 35.35 1g5r s VAL 62 CO -0.00 0.36 -0.01 -1.10 0.00 0.00 0.00 175.10 174.35 1g5r s GLN 63 N 1.09 2.01 0.27 2.72 -0.21 0.62 -0.77 119.66 125.39 1g5r s GLN 63 Ca -0.07 -1.55 0.24 0.00 0.02 0.00 0.00 55.36 54.01 1g5r s GLN 63 Cb -0.14 -3.11 0.99 0.00 1.00 0.00 0.00 33.01 31.74 1g5r s GLN 63 CO -0.01 -0.75 1.73 1.19 -2.12 0.00 0.00 175.29 175.33 1g5r n PHE 64 N 4.43 0.86 -4.05 0.91 3.01 -0.50 -4.28 117.46 117.83 1g5r n PHE 64 Ca -0.07 0.33 -0.31 0.00 1.01 0.00 0.00 57.45 58.41 1g5r n PHE 64 Cb 0.42 -1.03 -0.16 0.00 -0.01 0.00 0.00 39.48 38.70 1g5r n PHE 64 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1g5r s ILE 65 N -3.32 1.74 -0.20 4.37 1.01 -1.26 -4.96 121.20 118.58 1g5r s ILE 65 Ca 0.04 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.62 1g5r s ILE 65 Cb 0.09 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1g5r s ILE 65 CO 0.41 0.45 1.00 -0.75 0.00 0.00 0.00 174.94 176.05 1g5r s LYS 66 N 1.41 4.29 0.38 2.79 2.20 -1.26 -5.04 119.74 124.50 1g5r s LYS 66 Ca 0.04 1.30 -0.20 0.00 -0.36 0.00 0.00 55.97 56.76 1g5r s LYS 66 Cb -0.13 -3.62 -0.10 0.00 -1.51 0.00 0.00 37.83 32.47 1g5r s LYS 66 CO -0.11 -0.54 0.89 0.20 -0.36 0.00 0.00 175.35 175.43 1g5r s GLY 67 N 1.19 2.43 -0.04 5.54 0.00 -1.26 -4.93 107.32 110.25 1g5r s GLY 67 Ca 0.44 0.31 0.04 0.00 0.00 0.00 0.00 44.72 45.51 1g5r s GLY 67 CO 0.09 0.60 0.93 2.41 0.00 0.00 0.00 173.10 177.13 1g5r n THR 68 N -0.38 0.58 -4.62 0.90 -1.04 -1.26 -4.82 114.28 103.64 1g5r n THR 68 Ca 0.05 -0.34 -0.27 0.00 -2.04 0.00 0.00 64.05 61.46 1g5r n THR 68 Cb 0.53 -0.26 -0.06 0.00 -1.82 0.00 0.00 70.33 68.73 1g5r n THR 68 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1g5r n TRP 69 N 0.14 0.89 -2.42 -1.42 8.01 -1.26 -5.12 117.44 116.26 1g5r n TRP 69 Ca 0.07 -2.15 -0.40 0.00 -1.31 0.00 0.00 57.50 53.71 1g5r n TRP 69 Cb 0.39 -0.25 -0.04 0.00 -2.01 0.00 0.00 31.31 29.40 1g5r n TRP 69 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1g5r s PRO 70 N -3.53 4.59 -0.78 -0.99 0.02 -1.26 -4.98 135.00 128.06 1g5r s PRO 70 Ca 0.02 1.86 -0.19 0.00 0.02 0.00 0.00 61.00 62.72 1g5r s PRO 70 Cb 0.00 -3.16 0.12 0.00 0.02 0.00 0.00 34.50 31.49 1g5r s PRO 70 CO 0.02 0.14 0.95 1.21 -0.33 0.00 0.00 177.00 178.99 1g5r s ASN 71 N -0.83 6.45 0.12 2.53 3.84 -1.26 -4.90 114.94 120.88 1g5r s ASN 71 Ca 0.45 -1.76 -0.25 0.00 0.21 0.00 0.00 52.86 51.51 1g5r s ASN 71 Cb -0.33 -2.36 -0.06 0.00 -0.55 0.00 0.00 41.25 37.95 1g5r s ASN 71 CO 0.43 -1.10 1.65 1.23 -2.79 0.00 0.00 177.10 176.52 1g5r h GLY 72 N 10.20 -0.33 0.52 1.21 0.00 -1.98 0.41 103.07 113.09 1g5r h GLY 72 Ca -0.05 0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.61 1g5r h GLY 72 CO 1.08 -0.19 0.13 0.83 0.00 0.00 0.00 176.54 178.39 1g5r h GLU 73 N -0.36 0.28 -0.51 4.80 3.07 -1.99 0.78 114.58 120.64 1g5r h GLU 73 Ca 0.05 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1g5r h GLU 73 Cb 0.43 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1g5r h GLU 73 CO -0.18 0.19 0.20 -0.09 -1.40 0.00 0.00 179.01 177.72 1g5r h ARG 74 N 0.29 0.77 -0.82 2.33 2.43 -1.89 -0.13 114.38 117.35 1g5r h ARG 74 Ca 0.22 -0.14 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1g5r h ARG 74 Cb 0.25 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 1g5r h ARG 74 CO -0.25 0.68 0.54 -0.91 -1.51 0.00 0.00 179.97 178.52 1g5r h ASN 75 N 0.68 0.68 0.10 -3.80 2.35 0.88 -1.42 115.58 115.06 1g5r h ASN 75 Ca 0.17 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1g5r h ASN 75 Cb 0.21 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1g5r h ASN 75 CO -0.01 0.40 -0.05 0.25 -1.65 0.00 0.00 177.43 176.37 1g5r h LEU 76 N 0.75 -0.12 -0.05 1.61 5.85 -0.37 -3.41 115.31 119.57 1g5r h LEU 76 Ca 0.38 -0.39 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1g5r h LEU 76 Cb 0.47 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1g5r h LEU 76 CO -0.15 0.51 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.85 1g5r h LEU 77 N -0.94 0.56 -0.68 2.25 3.38 -0.99 -3.38 115.31 115.51 1g5r h LEU 77 Ca -0.01 -0.70 0.13 0.00 0.09 0.00 0.00 57.88 57.38 1g5r h LEU 77 Cb 0.50 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 40.95 1g5r h LEU 77 CO 0.02 1.18 -0.28 -0.08 0.09 0.00 0.00 178.44 179.37 1g5r h GLU 78 N -0.01 -0.08 0.00 1.13 4.81 -1.45 0.37 114.58 119.34 1g5r h GLU 78 Ca -0.05 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1g5r h GLU 78 Cb 1.22 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1g5r h GLU 78 CO 0.11 -0.06 0.05 -2.30 -0.73 0.00 0.00 179.01 176.08 1g5r n PRO 79 N -5.46 0.03 -0.59 0.92 -0.02 -1.26 -1.02 135.00 127.60 1g5r n PRO 79 Ca 0.07 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1g5r n PRO 79 Cb 0.37 -1.65 0.29 0.00 -0.02 0.00 0.00 33.50 32.49 1g5r n PRO 79 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1g5r n HIS 80 N -1.64 1.39 -0.81 6.00 8.25 0.13 -4.88 115.22 123.66 1g5r n HIS 80 Ca -0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1g5r n HIS 80 Cb 0.05 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1g5r n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g5r n GLY 81 N 0.66 0.59 3.59 -1.41 0.00 -0.19 -5.01 105.19 103.42 1g5r n GLY 81 Ca 0.20 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1g5r n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g5r s VAL 82 N -2.00 4.53 0.32 1.61 1.01 -1.19 -4.85 120.40 119.83 1g5r s VAL 82 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 1g5r s VAL 82 Cb 0.00 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 1g5r s VAL 82 CO 0.00 -0.67 1.37 -0.70 0.00 0.00 0.00 175.10 175.10 1g5r s GLU 83 N 3.62 4.30 -0.05 2.72 2.12 -1.23 -4.38 118.70 125.80 1g5r s GLU 83 Ca 0.38 2.29 0.06 0.00 0.36 0.00 0.00 54.97 58.06 1g5r s GLU 83 Cb -0.11 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.21 1g5r s GLU 83 CO 0.22 -0.30 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.36 1g5r s PHE 84 N -0.87 2.21 -0.17 5.30 0.40 -1.26 -1.12 117.98 122.48 1g5r s PHE 84 Ca 0.52 -0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1g5r s PHE 84 Cb -0.41 -1.45 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1g5r s PHE 84 CO 0.52 -0.19 -0.02 -0.65 0.70 0.00 0.00 175.22 175.58 1g5r s GLN 85 N -0.15 1.15 0.00 0.44 -1.52 0.14 -4.99 119.66 114.74 1g5r s GLN 85 Ca -0.02 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.94 1g5r s GLN 85 Cb -0.13 -1.94 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 1g5r s GLN 85 CO 0.03 -0.48 0.00 0.28 -0.25 0.00 0.00 175.29 174.87 1g5r n VAL 86 N 4.94 0.00 -4.02 1.09 0.31 -1.26 -0.27 118.33 119.11 1g5r n VAL 86 Ca -0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 1g5r n VAL 86 Cb 0.48 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.35 1g5r n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g5r s ALA 88 N -2.32 3.67 0.38 3.52 0.00 -1.26 -4.96 121.76 120.79 1g5r s ALA 88 Ca 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1g5r s ALA 88 Cb 0.00 -1.52 0.77 0.00 0.00 0.00 0.00 23.12 22.37 1g5r s ALA 88 CO 0.00 0.74 2.00 1.15 0.00 0.00 0.00 175.76 179.65 1g5r h THR 89 N 2.40 1.14 -0.10 0.00 2.02 -2.02 -2.46 112.91 113.89 1g5r h THR 89 Ca -0.46 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 66.35 1g5r h THR 89 Cb 1.17 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1g5r h THR 89 CO 0.68 0.16 0.16 1.23 0.37 0.00 0.00 175.52 178.12 1g5r h GLY 90 N 0.66 0.00 -5.41 2.16 0.00 -2.03 -3.43 103.07 95.02 1g5r h GLY 90 Ca 0.14 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.86 1g5r h GLY 90 CO -0.02 0.00 0.91 0.33 0.00 0.00 0.00 176.54 177.76 1g5r n PHE 91 N -3.51 2.24 -0.07 5.60 7.35 -0.93 -4.92 117.46 123.22 1g5r n PHE 91 Ca -0.00 0.19 -0.05 0.00 -0.76 0.00 0.00 57.45 56.82 1g5r n PHE 91 Cb 0.25 -2.58 -0.13 0.00 0.35 0.00 0.00 39.48 37.38 1g5r n PHE 91 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1g5r n THR 92 N 4.16 0.94 -1.13 -2.13 -2.24 -1.26 -5.01 114.28 107.61 1g5r n THR 92 Ca 0.20 -0.65 -0.04 0.00 -2.27 0.00 0.00 64.05 61.29 1g5r n THR 92 Cb 0.28 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 1g5r n THR 92 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1g5r n TRP 93 N -2.52 0.00 -3.24 4.78 7.02 -1.26 -4.97 117.44 117.25 1g5r n TRP 93 Ca -0.23 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.87 1g5r n TRP 93 Cb 0.94 -1.63 -0.06 0.00 -2.42 0.00 0.00 31.31 28.14 1g5r n TRP 93 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1g5r s GLU 94 N -1.87 4.33 0.36 -0.99 2.02 -1.26 -4.96 118.70 116.33 1g5r s GLU 94 Ca 0.00 0.61 0.15 0.00 0.02 0.00 0.00 54.97 55.75 1g5r s GLU 94 Cb 0.00 -3.40 1.07 0.00 0.10 0.00 0.00 34.13 31.89 1g5r s GLU 94 CO 0.00 0.22 1.70 1.15 0.02 0.00 0.00 175.26 178.35 1g5r h THR 95 N 4.53 0.40 -0.14 3.63 2.02 -2.02 0.33 112.91 121.66 1g5r h THR 95 Ca -0.43 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1g5r h THR 95 Cb 1.19 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1g5r h THR 95 CO 0.73 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.69 1g5r n GLN 96 N -4.88 1.48 -0.04 6.66 -0.00 -1.26 -3.62 117.38 115.72 1g5r n GLN 96 Ca 0.30 -0.72 0.03 0.00 -0.00 0.00 0.00 57.00 56.60 1g5r n GLN 96 Cb 0.94 -1.30 0.04 0.00 -0.00 0.00 0.00 30.24 29.92 1g5r n GLN 96 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1g5r n ASN 97 N -0.02 2.18 -0.42 2.61 3.02 0.12 -4.79 115.26 117.96 1g5r n ASN 97 Ca 0.13 -2.25 0.34 0.00 -0.03 0.00 0.00 54.58 52.77 1g5r n ASN 97 Cb 0.22 -0.12 0.63 0.00 -0.61 0.00 0.00 39.78 39.90 1g5r n ASN 97 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1g5r h ARG 98 N 0.18 0.15 -0.30 3.52 3.08 -1.61 -0.68 114.38 118.72 1g5r h ARG 98 Ca 0.00 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1g5r h ARG 98 Cb 0.64 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1g5r h ARG 98 CO 0.00 0.10 -0.25 0.93 -1.07 0.00 0.00 179.97 179.68 1g5r h GLU 99 N 0.16 0.69 0.01 0.04 5.08 -1.91 -0.67 114.58 117.98 1g5r h GLU 99 Ca 0.75 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1g5r h GLU 99 Cb 2.33 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.59 1g5r h GLU 99 CO -0.33 0.96 -0.49 0.00 -1.00 0.00 0.00 179.01 178.15 1g5r h ALA 100 N 0.72 0.04 -0.69 3.43 0.00 -1.65 -2.50 119.26 118.62 1g5r h ALA 100 Ca 0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1g5r h ALA 100 Cb 0.81 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1g5r h ALA 100 CO 0.06 0.26 0.30 -0.44 0.00 0.00 0.00 179.25 179.43 1g5r h ASP 101 N -0.28 0.91 -0.18 0.00 3.32 -1.24 -0.66 116.42 118.29 1g5r h ASP 101 Ca -0.06 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1g5r h ASP 101 Cb 1.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1g5r h ASP 101 CO 0.10 0.79 0.05 0.74 -1.72 0.00 0.00 179.24 179.20 1g5r h THR 102 N 0.98 1.19 -0.98 0.35 2.02 -1.19 -0.80 112.91 114.48 1g5r h THR 102 Ca 0.23 -0.61 0.06 0.00 0.77 0.00 0.00 66.41 66.86 1g5r h THR 102 Cb 0.15 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 1g5r h THR 102 CO -0.02 0.19 0.64 0.00 0.37 0.00 0.00 175.52 176.69 1g5r h ALA 103 N 0.86 1.42 -0.42 6.16 0.00 -0.94 -2.37 119.26 123.98 1g5r h ALA 103 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1g5r h ALA 103 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1g5r h ALA 103 CO -0.00 0.44 -0.05 0.00 0.00 0.00 0.00 179.25 179.65 1g5r h ALA 104 N 1.46 0.57 0.00 0.00 0.00 -0.87 -1.93 119.26 118.49 1g5r h ALA 104 Ca 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1g5r h ALA 104 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1g5r h ALA 104 CO -0.16 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1g5r n ALA 107 N 0.65 0.00 -0.15 0.00 0.00 -0.73 -1.20 120.51 119.07 1g5r n ALA 107 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1g5r n ALA 107 Cb 0.01 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1g5r n ALA 107 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1g5r h VAL 108 N 0.00 1.24 0.00 0.00 3.04 -1.65 -2.68 116.25 116.20 1g5r h VAL 108 Ca 0.00 -0.91 -0.01 0.00 -1.01 0.00 0.00 66.70 64.76 1g5r h VAL 108 Cb 0.00 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 29.98 1g5r h VAL 108 CO 0.00 0.34 -0.05 -0.25 -1.01 0.00 0.00 177.57 176.59 1g5r h TRP 109 N 0.85 0.00 -0.74 3.17 -0.00 -1.43 -2.37 115.95 115.43 1g5r h TRP 109 Ca 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 59.02 1g5r h TRP 109 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.49 1g5r h TRP 109 CO 0.02 0.05 0.26 1.96 -0.00 0.00 0.00 178.44 180.74 1g5r h GLN 110 N 0.00 1.12 -0.44 2.65 7.50 -1.74 0.17 115.11 124.38 1g5r h GLN 110 Ca -0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 58.65 58.92 1g5r h GLN 110 Cb 0.49 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 1g5r h GLN 110 CO 0.01 0.93 0.22 0.45 -1.50 0.00 0.00 178.83 178.94 1g5r h HIS 111 N 1.09 0.62 -0.36 2.96 3.86 -1.51 -0.78 115.15 121.03 1g5r h HIS 111 Ca 0.24 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1g5r h HIS 111 Cb 0.26 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1g5r h HIS 111 CO 0.02 0.49 0.23 0.78 0.86 0.00 0.00 177.93 180.31 1g5r h GLY 112 N 0.57 0.50 1.48 2.45 0.00 -1.20 -2.23 103.07 104.64 1g5r h GLY 112 Ca 0.15 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1g5r h GLY 112 CO -0.02 0.17 -0.05 0.50 0.00 0.00 0.00 176.54 177.15 1g5r h LYS 113 N 0.47 0.64 -0.26 4.80 1.57 -0.45 -0.04 116.57 123.30 1g5r h LYS 113 Ca 0.13 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1g5r h LYS 113 Cb -0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1g5r h LYS 113 CO -0.04 0.69 0.00 -2.13 -0.57 0.00 0.00 179.45 177.41 1g5r n ARG 114 N -4.22 0.11 0.00 3.15 0.63 -0.32 -2.06 116.66 113.94 1g5r n ARG 114 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1g5r n ARG 114 Cb 0.30 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.12 1g5r n ARG 114 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1g5r n LEU 116 N 0.49 0.00 -0.28 6.15 4.77 -0.03 -2.27 117.00 125.83 1g5r n LEU 116 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1g5r n LEU 116 Cb 0.03 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1g5r n LEU 116 CO 0.00 0.00 0.34 0.00 -1.33 0.00 0.00 177.39 176.40 1g5r n ALA 117 N 0.18 2.52 -2.58 -1.18 0.00 -0.88 -4.20 120.51 114.38 1g5r n ALA 117 Ca 0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.50 1g5r n ALA 117 Cb 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.13 1g5r n ALA 117 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g5r s ASP 118 N -0.71 6.43 0.55 0.00 -1.08 -0.96 -4.86 116.67 116.03 1g5r s ASP 118 Ca 0.08 0.21 0.36 0.00 -0.52 0.00 0.00 52.55 52.68 1g5r s ASP 118 Cb 0.06 -2.32 1.69 0.00 -1.46 0.00 0.00 42.92 40.89 1g5r s ASP 118 CO 0.11 -0.55 2.07 1.55 0.52 0.00 0.00 175.17 178.87 1g5r h PRO 119 N 8.38 0.00 -0.01 4.34 0.13 -1.94 -2.11 132.00 140.79 1g5r h PRO 119 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1g5r h PRO 119 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1g5r h PRO 119 CO 0.82 0.00 -0.36 1.28 -0.23 0.00 0.00 178.00 179.51 1g5r n LEU 120 N -2.94 1.36 -4.62 1.56 4.77 -1.26 -4.82 117.00 111.05 1g5r n LEU 120 Ca -0.01 -0.43 -0.39 0.00 -0.03 0.00 0.00 56.01 55.15 1g5r n LEU 120 Cb 0.20 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1g5r n LEU 120 CO 0.23 0.26 0.16 -0.76 -1.33 0.00 0.00 177.39 175.94 1g5r s LEU 121 N -2.52 4.05 0.00 2.23 1.43 -0.80 -4.63 118.68 118.45 1g5r s LEU 121 Ca 0.22 0.43 0.26 0.00 -1.03 0.00 0.00 54.13 54.01 1g5r s LEU 121 Cb 0.19 -2.55 1.58 0.00 0.03 0.00 0.00 46.19 45.43 1g5r s LEU 121 CO 0.55 -0.23 1.97 0.47 0.23 0.00 0.00 176.35 179.34 1g5r n ASP 122 N 5.37 0.00 -3.64 2.29 8.00 0.16 -4.63 116.55 124.10 1g5r n ASP 122 Ca -0.06 -1.00 -0.09 0.00 0.71 0.00 0.00 54.79 54.35 1g5r n ASP 122 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.53 1g5r n ASP 122 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1g5r s VAL 124 N -2.00 0.00 -0.21 2.53 1.01 0.28 -1.16 120.40 120.86 1g5r s VAL 124 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 1g5r s VAL 124 Cb 0.18 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1g5r s VAL 124 CO 0.31 0.00 -0.00 -0.69 0.00 0.00 0.00 175.10 174.71 1g5r s VAL 125 N 1.13 3.87 -0.70 2.92 1.01 0.20 -1.28 120.40 127.54 1g5r s VAL 125 Ca -0.06 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1g5r s VAL 125 Cb -0.05 -2.76 0.17 0.00 0.00 0.00 0.00 36.38 33.75 1g5r s VAL 125 CO -0.12 0.42 0.52 -0.76 0.00 0.00 0.00 175.10 175.16 1g5r s LEU 126 N 1.14 5.05 -0.07 3.92 1.43 0.02 -0.35 118.68 129.81 1g5r s LEU 126 Ca 0.03 -3.41 -0.30 0.00 -1.03 0.00 0.00 54.13 49.42 1g5r s LEU 126 Cb -0.14 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1g5r s LEU 126 CO 0.01 -0.21 1.16 -0.62 0.23 0.00 0.00 176.35 176.92 1g5r s ASP 127 N -0.32 7.09 -1.12 2.29 3.68 0.05 -2.29 116.67 126.05 1g5r s ASP 127 Ca 0.22 1.74 0.00 0.00 2.13 0.00 0.00 52.55 56.64 1g5r s ASP 127 Cb -0.13 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.78 1g5r s ASP 127 CO -0.09 -0.56 0.00 -0.62 0.13 0.00 0.00 175.17 174.03 1g5r n GLU 128 N 5.23 -0.83 0.05 4.34 -0.58 -0.90 -1.41 120.64 126.54 1g5r n GLU 128 Ca 0.11 0.77 0.01 0.00 -0.42 0.00 0.00 57.16 57.63 1g5r n GLU 128 Cb 0.47 -4.81 0.34 0.00 -0.57 0.00 0.00 31.44 26.87 1g5r n GLU 128 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1g5r h LEU 129 N 0.00 0.37 -0.72 -4.62 5.85 -1.50 -3.16 115.31 111.53 1g5r h LEU 129 Ca -0.25 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.53 1g5r h LEU 129 Cb 0.91 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 1g5r h LEU 129 CO 0.33 0.47 0.29 0.71 -0.34 0.00 0.00 178.44 179.91 1g5r h THR 130 N 0.38 0.71 0.00 1.05 1.35 -1.86 -2.88 112.91 111.67 1g5r h THR 130 Ca 0.08 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1g5r h THR 130 Cb 0.33 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1g5r h THR 130 CO 0.01 0.08 0.00 -1.22 -0.25 0.00 0.00 175.52 174.15 1g5r n TYR 131 N -4.98 0.00 0.00 4.73 4.02 -1.20 -0.41 117.16 119.32 1g5r n TYR 131 Ca 0.13 -0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1g5r n TYR 131 Cb 0.36 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1g5r n TYR 131 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1g5r n VAL 133 N 1.60 0.00 0.32 -0.72 0.31 -1.09 -1.02 118.33 117.73 1g5r n VAL 133 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 1g5r n VAL 133 Cb 0.08 0.00 0.64 0.00 -0.91 0.00 0.00 33.84 33.65 1g5r n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g5r h ALA 134 N 0.00 1.00 -0.28 3.52 0.00 -1.02 -2.25 119.26 120.23 1g5r h ALA 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g5r h ALA 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1g5r h ALA 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1g5r n TYR 135 N -2.82 0.48 -3.36 0.00 4.02 -0.19 -5.01 117.16 110.28 1g5r n TYR 135 Ca 0.01 -0.58 -0.24 0.00 -0.01 0.00 0.00 57.90 57.08 1g5r n TYR 135 Cb 0.27 -0.08 0.04 0.00 -0.02 0.00 0.00 39.34 39.55 1g5r n TYR 135 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1g5r n ASP 136 N 0.16 -5.57 0.01 7.72 2.03 -0.85 -4.86 116.55 115.19 1g5r n ASP 136 Ca 0.12 -0.44 0.12 0.00 0.52 0.00 0.00 54.79 55.10 1g5r n ASP 136 Cb 0.50 -4.47 0.19 0.00 -0.72 0.00 0.00 41.12 36.61 1g5r n ASP 136 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1g5r n TYR 137 N -4.56 0.05 -3.71 -0.67 0.53 -1.26 -4.85 117.16 102.69 1g5r n TYR 137 Ca -0.04 0.02 -0.11 0.00 -1.02 0.00 0.00 57.90 56.74 1g5r n TYR 137 Cb 0.58 -0.26 -0.11 0.00 -1.03 0.00 0.00 39.34 38.52 1g5r n TYR 137 CO 0.00 0.00 0.00 -0.48 -1.02 0.00 0.00 176.86 175.36 1g5r s LEU 138 N -3.14 0.10 0.00 7.72 0.05 -1.26 -4.75 118.68 117.41 1g5r s LEU 138 Ca 0.10 0.83 -0.30 0.00 0.05 0.00 0.00 54.13 54.80 1g5r s LEU 138 Cb 0.17 1.27 -0.07 0.00 -2.05 0.00 0.00 46.19 45.51 1g5r s LEU 138 CO 0.73 -0.18 1.80 -2.16 -0.55 0.00 0.00 176.35 175.99 1g5r s PRO 139 N 1.11 4.16 0.28 1.48 0.04 -1.26 -4.50 135.00 136.32 1g5r s PRO 139 Ca -0.07 2.41 0.01 0.00 0.04 0.00 0.00 61.00 63.39 1g5r s PRO 139 Cb -0.07 -4.02 0.55 0.00 0.04 0.00 0.00 34.50 31.00 1g5r s PRO 139 CO -0.09 -0.88 1.84 1.25 0.04 0.00 0.00 177.00 179.15 1g5r h LEU 140 N 10.20 0.93 -1.50 -3.56 5.85 -2.00 -1.03 115.31 124.21 1g5r h LEU 140 Ca -0.44 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.41 1g5r h LEU 140 Cb 1.21 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1g5r h LEU 140 CO 0.95 0.50 0.46 -0.33 -0.34 0.00 0.00 178.44 179.68 1g5r h GLU 141 N 1.00 0.55 -0.11 1.25 4.39 -2.00 0.23 114.58 119.90 1g5r h GLU 141 Ca 0.49 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 60.07 1g5r h GLU 141 Cb 0.47 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1g5r h GLU 141 CO -0.25 0.37 -0.32 0.93 -1.16 0.00 0.00 179.01 178.57 1g5r h GLU 142 N 0.57 0.21 0.11 2.33 5.08 -1.58 -1.49 114.58 119.82 1g5r h GLU 142 Ca 0.32 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1g5r h GLU 142 Cb 0.48 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1g5r h GLU 142 CO -0.10 0.52 -0.06 0.28 -1.00 0.00 0.00 179.01 178.65 1g5r h VAL 143 N 0.18 1.08 -0.35 3.13 2.07 -0.45 0.84 116.25 122.77 1g5r h VAL 143 Ca 0.02 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1g5r h VAL 143 Cb 0.67 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1g5r h VAL 143 CO 0.05 0.24 0.02 0.40 0.02 0.00 0.00 177.57 178.30 1g5r h ILE 144 N -0.68 0.76 0.04 4.57 1.08 -0.98 0.05 117.51 122.34 1g5r h ILE 144 Ca -0.02 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1g5r h ILE 144 Cb 0.52 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1g5r h ILE 144 CO 0.03 0.02 -0.07 -1.28 -0.69 0.00 0.00 178.15 176.16 1g5r h SER 145 N 0.12 -0.18 -0.97 1.72 0.87 -1.29 0.46 113.55 114.28 1g5r h SER 145 Ca 0.17 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1g5r h SER 145 Cb 0.22 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 1g5r h SER 145 CO -0.27 -0.10 0.63 0.00 -0.53 0.00 0.00 176.83 176.56 1g5r h ALA 146 N 0.81 1.41 -0.24 6.23 0.00 -0.16 -1.96 119.26 125.36 1g5r h ALA 146 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1g5r h ALA 146 Cb 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1g5r h ALA 146 CO -0.04 0.46 0.03 -0.07 0.00 0.00 0.00 179.25 179.63 1g5r h LEU 147 N 1.17 0.38 -0.79 0.00 3.38 -0.76 -3.08 115.31 115.61 1g5r h LEU 147 Ca 0.40 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1g5r h LEU 147 Cb 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1g5r h LEU 147 CO -0.14 0.56 0.28 0.78 0.09 0.00 0.00 178.44 180.02 1g5r h ASN 148 N 0.19 1.10 -0.03 -0.43 2.35 -0.48 -3.05 115.58 115.22 1g5r h ASN 148 Ca 0.07 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1g5r h ASN 148 Cb 0.35 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1g5r h ASN 148 CO 0.01 0.99 0.00 0.00 -1.65 0.00 0.00 177.43 176.78 1g5r n ALA 149 N -2.44 2.60 -0.82 -0.83 0.00 -0.77 -4.96 120.51 113.29 1g5r n ALA 149 Ca 0.07 -0.36 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 1g5r n ALA 149 Cb 0.21 -1.27 0.16 0.00 0.00 0.00 0.00 19.45 18.55 1g5r n ALA 149 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1g5r s ARG 150 N -1.97 1.07 0.11 0.00 1.70 -1.16 -4.90 118.95 113.81 1g5r s ARG 150 Ca 0.39 1.37 -0.31 0.00 -0.47 0.00 0.00 55.73 56.71 1g5r s ARG 150 Cb 0.20 -1.75 -0.10 0.00 -0.57 0.00 0.00 34.95 32.73 1g5r s ARG 150 CO 0.32 -2.53 1.80 -2.14 -1.08 0.00 0.00 175.30 171.67 1g5r s PRO 151 N -4.70 4.15 0.41 3.89 0.02 -1.26 -4.87 135.00 132.65 1g5r s PRO 151 Ca 0.66 2.54 0.29 0.00 0.02 0.00 0.00 61.00 64.51 1g5r s PRO 151 Cb -0.22 -3.61 1.42 0.00 0.02 0.00 0.00 34.50 32.11 1g5r s PRO 151 CO 0.58 -0.82 1.53 0.41 -0.33 0.00 0.00 177.00 178.37 1g5r n GLY 152 N 4.20 -0.80 0.21 0.52 0.00 -1.26 0.40 105.19 108.46 1g5r n GLY 152 Ca 0.17 0.75 0.14 0.00 0.00 0.00 0.00 46.02 47.09 1g5r n GLY 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1g5r n HIS 153 N -4.81 0.01 -2.81 1.61 1.44 -1.26 0.08 115.22 109.48 1g5r n HIS 153 Ca 0.39 -0.01 -0.41 0.00 -2.01 0.00 0.00 57.72 55.68 1g5r n HIS 153 Cb 1.46 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 31.54 1g5r n HIS 153 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1g5r s GLN 154 N -1.99 4.47 -0.11 -1.40 0.74 0.16 -3.68 119.66 117.86 1g5r s GLN 154 Ca 0.42 1.22 -0.04 0.00 0.05 0.00 0.00 55.36 57.01 1g5r s GLN 154 Cb 0.21 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 1g5r s GLN 154 CO 0.34 -0.11 0.06 0.99 -0.55 0.00 0.00 175.29 176.02 1g5r s THR 155 N 1.30 4.84 -0.04 -0.34 2.01 -0.30 -3.51 115.64 119.60 1g5r s THR 155 Ca 0.46 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.46 1g5r s THR 155 Cb -0.19 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.24 1g5r s THR 155 CO 0.22 0.60 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.89 1g5r s VAL 156 N -0.87 1.39 -0.18 3.82 1.01 0.51 -0.56 120.40 125.52 1g5r s VAL 156 Ca 0.13 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1g5r s VAL 156 Cb -0.12 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 1g5r s VAL 156 CO 0.03 0.40 -0.11 -0.63 0.00 0.00 0.00 175.10 174.79 1g5r s ILE 157 N -0.04 2.95 -0.13 2.22 1.01 -0.41 -0.62 121.20 126.19 1g5r s ILE 157 Ca -0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1g5r s ILE 157 Cb -0.10 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1g5r s ILE 157 CO 0.02 0.48 -0.11 -0.63 0.00 0.00 0.00 174.94 174.70 1g5r s ILE 158 N 1.07 3.26 0.13 2.92 1.01 0.03 -0.80 121.20 128.82 1g5r s ILE 158 Ca -0.00 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.15 1g5r s ILE 158 Cb -0.15 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1g5r s ILE 158 CO -0.02 0.52 -0.22 0.42 0.00 0.00 0.00 174.94 175.64 1g5r s THR 159 N 0.24 1.92 0.00 2.92 -4.23 -0.97 -0.80 115.64 114.71 1g5r s THR 159 Ca -0.07 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1g5r s THR 159 Cb -0.15 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1g5r s THR 159 CO 0.05 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1g5r n GLY 160 N 0.75 4.70 3.77 3.99 0.00 -0.88 -2.13 105.19 115.39 1g5r n GLY 160 Ca -0.17 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1g5r n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g5r s ARG 161 N -4.15 2.77 -1.32 1.61 0.52 -1.26 -4.11 118.95 113.01 1g5r s ARG 161 Ca 0.00 1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 56.60 1g5r s ARG 161 Cb 0.00 -1.94 -0.00 0.00 0.52 0.00 0.00 34.95 33.52 1g5r s ARG 161 CO 0.00 -1.28 0.61 0.41 0.02 0.00 0.00 175.30 175.06 1g5r n GLY 162 N -0.45 -0.35 3.72 -3.53 0.00 -1.26 -4.59 105.19 98.73 1g5r n GLY 162 Ca 0.11 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1g5r n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g5r n HIS 164 N 3.75 1.76 -0.31 0.00 -0.00 -1.26 -4.78 115.22 114.37 1g5r n HIS 164 Ca 0.13 0.54 0.07 0.00 0.46 0.00 0.00 57.72 58.92 1g5r n HIS 164 Cb 0.38 -2.38 0.27 0.00 -0.12 0.00 0.00 29.99 28.14 1g5r n HIS 164 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1g5r h ARG 165 N 3.98 0.91 -0.56 1.57 2.43 -1.98 0.16 114.38 120.89 1g5r h ARG 165 Ca -0.44 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1g5r h ARG 165 Cb 1.31 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1g5r h ARG 165 CO 0.74 0.60 0.25 -0.44 -1.51 0.00 0.00 179.97 179.61 1g5r h ASP 166 N 0.93 0.71 -0.33 -3.80 3.32 -2.00 0.15 116.42 115.42 1g5r h ASP 166 Ca 0.44 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 1g5r h ASP 166 Cb 0.43 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1g5r h ASP 166 CO -0.20 0.63 -0.27 0.40 -1.72 0.00 0.00 179.24 178.08 1g5r h ILE 167 N 0.79 1.27 -0.07 0.35 2.04 -1.35 -2.66 117.51 117.89 1g5r h ILE 167 Ca 0.19 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 1g5r h ILE 167 Cb 0.12 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1g5r h ILE 167 CO -0.02 0.47 -0.28 -0.07 0.00 0.00 0.00 178.15 178.25 1g5r h LEU 168 N 0.71 0.12 -1.02 1.44 3.38 -0.30 -2.03 115.31 117.61 1g5r h LEU 168 Ca 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1g5r h LEU 168 Cb 0.81 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1g5r h LEU 168 CO 0.07 0.40 -0.47 0.44 0.09 0.00 0.00 178.44 178.97 1g5r h ASP 169 N 0.11 0.04 1.27 -0.43 3.32 -0.40 -2.96 116.42 117.38 1g5r h ASP 169 Ca 0.02 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1g5r h ASP 169 Cb 0.56 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1g5r h ASP 169 CO 0.04 0.51 -0.76 0.25 -1.72 0.00 0.00 179.24 177.56 1g5r h LEU 170 N 0.03 0.00 -9.95 1.55 5.85 -1.21 -3.47 115.31 108.12 1g5r h LEU 170 Ca -0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 1g5r h LEU 170 Cb 0.85 0.00 0.09 0.00 0.37 0.00 0.00 40.66 41.97 1g5r h LEU 170 CO 0.06 0.58 0.62 0.00 -0.34 0.00 0.00 178.44 179.36 1g5r s ALA 171 N -2.92 3.26 0.04 1.25 0.00 -0.80 -4.89 121.76 117.70 1g5r s ALA 171 Ca 0.02 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.20 1g5r s ALA 171 Cb 0.08 -3.50 -0.28 0.00 0.00 0.00 0.00 23.12 19.42 1g5r s ALA 171 CO 0.77 -0.86 1.02 -0.44 0.00 0.00 0.00 175.76 176.25 1g5r h ASP 172 N 2.64 0.43 -3.80 0.00 3.32 -1.03 -3.46 116.42 114.52 1g5r h ASP 172 Ca -0.50 -0.51 -0.37 0.00 0.02 0.00 0.00 57.03 55.68 1g5r h ASP 172 Cb 1.25 -0.14 -0.30 0.00 0.22 0.00 0.00 39.33 40.36 1g5r h ASP 172 CO 0.62 1.41 -0.77 -0.89 -1.72 0.00 0.00 179.24 177.89 1g5r s THR 173 N -2.64 0.53 -0.14 0.35 2.01 -0.79 -5.02 115.64 109.94 1g5r s THR 173 Ca -0.06 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 1g5r s THR 173 Cb 0.07 -0.48 0.05 0.00 0.01 0.00 0.00 72.50 72.14 1g5r s THR 173 CO 0.88 0.17 0.02 -0.69 -0.69 0.00 0.00 174.62 174.31 1g5r s VAL 174 N 0.19 0.41 -0.15 3.82 1.01 -1.26 -0.42 120.40 124.00 1g5r s VAL 174 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1g5r s VAL 174 Cb -0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1g5r s VAL 174 CO -0.00 0.00 -0.10 -0.44 0.00 0.00 0.00 175.10 174.56 1g5r s SER 175 N 1.93 4.18 -0.35 3.32 0.01 -0.29 -5.00 113.70 117.51 1g5r s SER 175 Ca 0.02 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 1g5r s SER 175 Cb -0.15 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.46 1g5r s SER 175 CO -0.07 0.14 0.15 -0.70 0.41 0.00 0.00 173.24 173.17 1g5r s GLU 176 N 0.49 2.72 -0.70 12.44 2.12 -1.26 -2.05 118.70 132.45 1g5r s GLU 176 Ca -0.08 -1.13 -0.26 0.00 0.36 0.00 0.00 54.97 53.86 1g5r s GLU 176 Cb -0.15 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 1g5r s GLU 176 CO 0.04 -0.67 1.74 -0.51 -0.54 0.00 0.00 175.26 175.32 1g5r s LEU 177 N 1.47 3.25 -0.18 2.70 1.02 0.13 -4.87 118.68 122.20 1g5r s LEU 177 Ca -0.00 -0.06 -0.17 0.00 0.02 0.00 0.00 54.13 53.92 1g5r s LEU 177 Cb -0.19 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.44 1g5r s LEU 177 CO 0.04 -2.29 0.45 -0.60 0.02 0.00 0.00 176.35 173.98 1g5r s ARG 178 N 6.68 4.21 -0.66 1.70 6.06 -1.26 0.30 118.95 135.99 1g5r s ARG 178 Ca 0.60 0.32 -0.27 0.00 -2.50 0.00 0.00 55.73 53.88 1g5r s ARG 178 Cb -0.10 -3.52 0.02 0.00 0.06 0.00 0.00 34.95 31.40 1g5r s ARG 178 CO 0.15 -0.03 1.41 -1.25 -2.50 0.00 0.00 175.30 173.08 1g5r s PRO 179 N 1.27 3.14 0.13 5.12 0.04 -1.26 -4.70 135.00 138.74 1g5r s PRO 179 Ca 0.22 0.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.36 1g5r s PRO 179 Cb -0.15 -4.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.11 1g5r s PRO 179 CO 0.09 -2.16 1.31 0.28 0.04 0.00 0.00 177.00 176.55 1g5r h VAL 180 N 6.28 1.42 -2.93 -0.36 2.07 -2.00 -3.46 116.25 117.27 1g5r h VAL 180 Ca -0.27 -2.50 -0.10 0.00 0.82 0.00 0.00 66.70 64.65 1g5r h VAL 180 Cb 1.08 2.45 -0.19 0.00 -1.52 0.00 0.00 31.29 33.11 1g5r h VAL 180 CO 1.23 0.74 -0.19 -0.54 0.02 0.00 0.00 177.57 178.83 1g5r s LYS 181 N -3.23 0.76 -0.08 1.57 1.02 -1.26 -5.17 119.74 113.35 1g5r s LYS 181 Ca -0.05 -0.19 -0.07 0.00 0.02 0.00 0.00 55.97 55.67 1g5r s LYS 181 Cb 0.09 0.34 0.02 0.00 -0.52 0.00 0.00 37.83 37.76 1g5r s LYS 181 CO 0.86 -0.23 0.21 -3.38 -0.92 0.00 0.00 175.35 171.90 1g5r s HIS 182 N -1.58 -0.23 -2.67 3.18 -3.43 -1.26 -4.98 115.29 104.31 1g5r s HIS 182 Ca -0.11 0.57 0.27 0.00 -0.80 0.00 0.00 55.06 54.98 1g5r s HIS 182 Cb -0.04 0.07 0.76 0.00 -1.43 0.00 0.00 32.58 31.95 1g5r s HIS 182 CO 0.03 -0.12 1.58 0.00 -2.00 0.00 0.00 174.74 174.24