#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6r s ASN 2 N 0.00 1.55 0.00 7.83 2.47 -1.26 -5.03 114.94 120.50 1t6r s ASN 2 Ca 0.00 -1.69 0.00 0.00 0.42 0.00 0.00 52.86 51.59 1t6r s ASN 2 Cb 0.00 0.52 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 1t6r s ASN 2 CO 0.00 -1.01 0.00 -3.20 -3.72 0.00 0.00 177.10 169.17 1t6r n ASN 3 N -1.30 0.00 -4.78 -4.21 5.15 -1.26 -4.64 115.26 104.22 1t6r n ASN 3 Ca 0.05 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.64 1t6r n ASN 3 Cb 0.63 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.83 1t6r n ASN 3 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1t6r s LEU 4 N 0.00 4.49 0.01 1.20 2.96 -1.26 -4.65 118.68 121.44 1t6r s LEU 4 Ca 0.00 1.35 -0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1t6r s LEU 4 Cb 0.00 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 1t6r s LEU 4 CO 0.00 0.16 0.03 -0.75 -1.32 0.00 0.00 176.35 174.47 1t6r s LYS 5 N -0.65 0.37 -0.09 1.98 2.36 -0.08 -4.93 119.74 118.71 1t6r s LYS 5 Ca 0.33 -0.53 0.03 0.00 -2.55 0.00 0.00 55.97 53.25 1t6r s LYS 5 Cb -0.20 0.14 -0.02 0.00 -1.05 0.00 0.00 37.83 36.70 1t6r s LYS 5 CO 0.21 -0.07 -0.16 -0.51 1.55 0.00 0.00 175.35 176.36 1t6r s LEU 6 N -1.41 2.57 -0.74 5.43 1.43 -1.26 -1.19 118.68 123.50 1t6r s LEU 6 Ca -0.15 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1t6r s LEU 6 Cb -0.09 -1.54 0.18 0.00 0.03 0.00 0.00 46.19 44.78 1t6r s LEU 6 CO -0.00 0.24 0.56 -0.62 0.23 0.00 0.00 176.35 176.76 1t6r s ASP 7 N -0.13 5.15 -0.16 2.29 -1.08 -0.42 -4.94 116.67 117.39 1t6r s ASP 7 Ca -0.02 -3.72 -0.27 0.00 -0.52 0.00 0.00 52.55 48.02 1t6r s ASP 7 Cb -0.14 -1.73 -0.01 0.00 -1.46 0.00 0.00 42.92 39.59 1t6r s ASP 7 CO 0.04 -0.13 0.91 -0.63 0.52 0.00 0.00 175.17 175.87 1t6r s ILE 8 N -1.30 4.83 0.06 4.11 1.01 -1.26 -1.38 121.20 127.27 1t6r s ILE 8 Ca 0.25 1.80 0.05 0.00 0.00 0.00 0.00 60.65 62.75 1t6r s ILE 8 Cb -0.07 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1t6r s ILE 8 CO -0.14 -0.01 -0.15 -0.69 0.00 0.00 0.00 174.94 173.95 1t6r s VAL 9 N 2.25 1.20 -0.51 2.92 1.01 0.60 -4.99 120.40 122.88 1t6r s VAL 9 Ca 0.42 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1t6r s VAL 9 Cb -0.17 -1.12 0.16 0.00 0.00 0.00 0.00 36.38 35.26 1t6r s VAL 9 CO 0.13 -0.09 0.36 -1.61 0.00 0.00 0.00 175.10 173.90 1t6r s GLU 10 N -1.47 1.49 0.16 2.72 2.02 -1.26 -0.43 118.70 121.93 1t6r s GLU 10 Ca 0.01 -2.47 0.01 0.00 0.02 0.00 0.00 54.97 52.55 1t6r s GLU 10 Cb -0.09 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 1t6r s GLU 10 CO 0.02 -1.30 0.00 -0.65 0.02 0.00 0.00 175.26 173.35 1t6r s GLN 11 N -0.34 1.05 -1.46 1.61 -0.21 -0.94 -4.81 119.66 114.55 1t6r s GLN 11 Ca 0.26 -1.50 -0.15 0.00 0.02 0.00 0.00 55.36 54.00 1t6r s GLN 11 Cb -0.06 -0.18 0.13 0.00 1.00 0.00 0.00 33.01 33.90 1t6r s GLN 11 CO -0.14 -0.14 0.62 -0.25 -2.12 0.00 0.00 175.29 173.26 1t6r n ASP 12 N -0.20 -3.21 -0.71 5.90 8.00 -1.26 -1.38 116.55 123.69 1t6r n ASP 12 Ca -0.07 -0.71 -0.09 0.00 0.71 0.00 0.00 54.79 54.63 1t6r n ASP 12 Cb 0.63 -2.66 -0.04 0.00 -0.02 0.00 0.00 41.12 39.03 1t6r n ASP 12 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1t6r n ASP 13 N -2.43 -4.86 -3.99 -2.24 2.03 -1.26 -4.99 116.55 98.80 1t6r n ASP 13 Ca 0.05 0.23 -0.19 0.00 0.52 0.00 0.00 54.79 55.40 1t6r n ASP 13 Cb 0.50 -3.18 -0.15 0.00 -0.72 0.00 0.00 41.12 37.57 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1t6r s LYS 14 N -2.56 0.75 -0.39 -0.67 2.20 -0.48 -4.80 119.74 113.78 1t6r s LYS 14 Ca 0.00 -0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.07 1t6r s LYS 14 Cb 0.00 -0.72 0.02 0.00 -1.51 0.00 0.00 37.83 35.62 1t6r s LYS 14 CO 0.00 0.13 1.00 0.00 -0.36 0.00 0.00 175.35 176.12 1t6r s ALA 15 N 0.02 3.35 -0.13 3.13 0.00 -0.89 -2.21 121.76 125.03 1t6r s ALA 15 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.56 1t6r s ALA 15 Cb -0.06 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1t6r s ALA 15 CO -0.00 -1.78 -0.22 0.42 0.00 0.00 0.00 175.76 174.18 1t6r s ILE 16 N 3.75 2.05 -0.21 0.00 1.01 0.43 -0.48 121.20 127.75 1t6r s ILE 16 Ca 0.41 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 1t6r s ILE 16 Cb -0.11 -1.81 0.06 0.00 0.01 0.00 0.00 42.46 40.62 1t6r s ILE 16 CO 0.22 0.55 0.02 0.54 0.00 0.00 0.00 174.94 176.27 1t6r s VAL 17 N 0.71 0.73 -0.66 2.92 0.11 -0.48 -0.29 120.40 123.44 1t6r s VAL 17 Ca -0.10 -0.72 -0.27 0.00 -2.93 0.00 0.00 61.98 57.96 1t6r s VAL 17 Cb -0.16 -1.21 0.02 0.00 -1.53 0.00 0.00 36.38 33.50 1t6r s VAL 17 CO 0.00 -0.20 1.41 -0.13 -3.33 0.00 0.00 175.10 172.85 1t6r s ARG 18 N 1.76 3.13 -0.31 1.54 0.52 -0.48 -1.06 118.95 124.05 1t6r s ARG 18 Ca -0.02 0.11 -0.29 0.00 -0.52 0.00 0.00 55.73 55.02 1t6r s ARG 18 Cb -0.17 -4.20 -0.01 0.00 0.52 0.00 0.00 34.95 31.09 1t6r s ARG 18 CO -0.08 -2.18 1.49 0.08 0.02 0.00 0.00 175.30 174.62 1t6r s VAL 19 N 6.39 3.86 -0.19 3.52 1.01 0.50 -1.30 120.40 134.19 1t6r s VAL 19 Ca 0.46 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.35 1t6r s VAL 19 Cb -0.09 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1t6r s VAL 19 CO 0.19 -0.49 -0.09 -1.10 0.00 0.00 0.00 175.10 173.61 1t6r s GLN 20 N 4.71 3.32 0.00 2.72 -0.21 -0.33 -3.53 119.66 126.35 1t6r s GLN 20 Ca 0.65 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1t6r s GLN 20 Cb -0.19 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 30.97 1t6r s GLN 20 CO 0.29 -0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.77 1t6r n GLY 21 N 4.47 1.52 2.97 3.09 0.00 -1.26 -0.90 105.19 115.07 1t6r n GLY 21 Ca -0.19 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 1t6r n GLY 21 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1t6r s ASP 22 N 0.00 3.75 -1.48 1.61 1.47 -1.26 -3.99 116.67 116.76 1t6r s ASP 22 Ca 0.00 -1.10 -0.09 0.00 1.18 0.00 0.00 52.55 52.54 1t6r s ASP 22 Cb 0.00 -1.22 0.01 0.00 -0.34 0.00 0.00 42.92 41.37 1t6r s ASP 22 CO 0.00 -0.20 2.57 -0.38 0.68 0.00 0.00 175.17 177.84 1t6r n ILE 23 N 4.66 4.41 -2.02 2.11 5.41 0.09 -4.71 119.36 129.30 1t6r n ILE 23 Ca -0.13 -3.29 -0.29 0.00 1.00 0.00 0.00 62.75 60.04 1t6r n ILE 23 Cb 0.45 -2.45 0.15 0.00 -0.71 0.00 0.00 39.64 37.08 1t6r n ILE 23 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1t6r s ASP 24 N 1.76 3.63 0.00 4.38 2.15 -1.26 -0.40 116.67 126.93 1t6r s ASP 24 Ca 0.59 0.30 0.03 0.00 0.43 0.00 0.00 52.55 53.90 1t6r s ASP 24 Cb 0.17 -0.51 0.13 0.00 -0.30 0.00 0.00 42.92 42.40 1t6r s ASP 24 CO -0.07 -2.40 1.01 0.00 -0.17 0.00 0.00 175.17 173.54 1t6r n ALA 25 N -3.52 1.21 1.50 3.66 0.00 -1.26 0.07 120.51 122.18 1t6r n ALA 25 Ca 0.13 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.71 1t6r n ALA 25 Cb 0.60 -1.04 0.74 0.00 0.00 0.00 0.00 19.45 19.75 1t6r n ALA 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1t6r n TYR 26 N -1.41 0.00 0.00 0.00 4.01 -1.26 -4.35 117.16 114.15 1t6r n TYR 26 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1t6r n TYR 26 Cb 0.03 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 1t6r n TYR 26 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1t6r n ASN 27 N -1.15 0.18 -0.34 7.72 3.02 -0.13 -4.76 115.26 119.80 1t6r n ASN 27 Ca 0.16 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.91 1t6r n ASN 27 Cb 0.23 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.84 1t6r n ASN 27 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1t6r h SER 28 N 0.00 0.58 0.05 6.41 0.02 -0.59 0.41 113.55 120.44 1t6r h SER 28 Ca 0.00 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1t6r h SER 28 Cb 0.09 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1t6r h SER 28 CO 0.00 0.05 -0.25 0.28 -1.14 0.00 0.00 176.83 175.77 1t6r h SER 29 N 0.48 -0.73 0.11 3.07 0.02 -1.79 -0.49 113.55 114.21 1t6r h SER 29 Ca 0.66 0.09 -0.27 0.00 -0.84 0.00 0.00 61.79 61.42 1t6r h SER 29 Cb 1.42 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 64.24 1t6r h SER 29 CO -0.45 -0.33 -1.41 1.05 -1.14 0.00 0.00 176.83 174.55 1t6r h GLU 30 N -0.42 0.23 -1.15 3.45 4.11 -1.21 -2.78 114.58 116.81 1t6r h GLU 30 Ca 0.05 -0.39 0.32 0.00 0.07 0.00 0.00 59.36 59.41 1t6r h GLU 30 Cb 0.48 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.79 1t6r h GLU 30 CO -0.19 1.19 0.77 1.25 0.07 0.00 0.00 179.01 182.10 1t6r h LEU 31 N -0.33 0.27 0.23 3.06 6.46 -0.42 0.09 115.31 124.68 1t6r h LEU 31 Ca -0.31 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1t6r h LEU 31 Cb 1.74 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 1t6r h LEU 31 CO 0.05 0.02 -0.11 0.50 -0.62 0.00 0.00 178.44 178.27 1t6r h LYS 32 N 0.22 -0.30 -0.12 1.25 3.64 -1.05 -1.50 116.57 118.70 1t6r h LYS 32 Ca 0.63 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 60.07 1t6r h LYS 32 Cb 1.95 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.84 1t6r h LYS 32 CO -0.22 0.06 0.09 1.49 -2.27 0.00 0.00 179.45 178.60 1t6r h GLU 33 N -0.76 0.00 0.03 1.90 4.81 -0.81 0.19 114.58 119.95 1t6r h GLU 33 Ca -0.03 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.83 1t6r h GLU 33 Cb 0.50 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1t6r h GLU 33 CO 0.05 0.00 -2.24 1.04 -0.73 0.00 0.00 179.01 177.13 1t6r n GLN 34 N -4.34 0.69 0.04 1.92 6.02 -0.15 -2.97 117.38 118.59 1t6r n GLN 34 Ca -0.00 0.17 -0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1t6r n GLN 34 Cb 0.21 -1.60 0.07 0.00 1.02 0.00 0.00 30.24 29.94 1t6r n GLN 34 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1t6r h LEU 35 N 0.02 0.47 0.16 1.08 3.38 -1.10 0.09 115.31 119.40 1t6r h LEU 35 Ca -0.50 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.21 1t6r h LEU 35 Cb 2.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.59 1t6r h LEU 35 CO 0.00 0.98 -0.44 0.03 0.09 0.00 0.00 178.44 179.10 1t6r h ARG 36 N 0.31 -0.67 -0.84 1.13 3.08 -1.09 -2.01 114.38 114.28 1t6r h ARG 36 Ca -0.01 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1t6r h ARG 36 Cb 1.16 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 1t6r h ARG 36 CO 0.11 -0.45 0.44 -0.97 -1.07 0.00 0.00 179.97 178.03 1t6r h ASN 37 N -0.70 1.07 -0.39 7.04 -0.73 -1.40 0.31 115.58 120.78 1t6r h ASN 37 Ca 0.01 -0.11 0.08 0.00 1.87 0.00 0.00 56.30 58.15 1t6r h ASN 37 Cb 0.71 -0.27 -0.08 0.00 0.27 0.00 0.00 38.32 38.94 1t6r h ASN 37 CO -0.23 0.88 -0.13 0.15 -0.37 0.00 0.00 177.43 177.73 1t6r h PHE 38 N 1.18 -0.29 0.00 0.67 3.57 -0.88 0.23 116.94 121.42 1t6r h PHE 38 Ca 0.29 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 1t6r h PHE 38 Cb 0.07 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1t6r h PHE 38 CO 0.01 -0.20 -0.55 0.82 -2.23 0.00 0.00 178.31 176.15 1t6r h ILE 39 N -0.04 1.31 0.00 1.41 2.04 -0.68 -0.20 117.51 121.35 1t6r h ILE 39 Ca 0.19 -1.94 -0.05 0.00 1.00 0.00 0.00 64.86 64.07 1t6r h ILE 39 Cb 0.33 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1t6r h ILE 39 CO -0.43 0.54 -0.21 -1.28 0.00 0.00 0.00 178.15 176.77 1t6r h SER 40 N 0.00 0.00 0.00 1.72 0.87 0.25 -3.34 113.55 113.05 1t6r h SER 40 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1t6r h SER 40 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1t6r h SER 40 CO 0.07 0.21 -0.59 0.35 -0.53 0.00 0.00 176.83 176.35 1t6r n THR 41 N -3.37 1.36 -1.68 2.23 -2.24 0.68 -5.00 114.28 106.26 1t6r n THR 41 Ca 0.00 0.22 -0.44 0.00 -2.27 0.00 0.00 64.05 61.56 1t6r n THR 41 Cb 0.43 -2.34 -0.04 0.00 -2.10 0.00 0.00 70.33 66.28 1t6r n THR 41 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1t6r n THR 42 N -4.47 0.51 0.28 4.28 5.66 -0.11 -4.86 114.28 115.58 1t6r n THR 42 Ca -0.08 -0.09 0.04 0.00 -3.05 0.00 0.00 64.05 60.87 1t6r n THR 42 Cb 0.31 -2.08 0.17 0.00 -1.55 0.00 0.00 70.33 67.18 1t6r n THR 42 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1t6r n SER 43 N 6.25 0.00 -4.66 1.09 3.41 -1.26 -4.69 113.62 113.76 1t6r n SER 43 Ca 0.20 0.47 -0.43 0.00 -0.26 0.00 0.00 58.87 58.84 1t6r n SER 43 Cb 0.36 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 1t6r n SER 43 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1t6r s LYS 44 N -2.96 4.24 0.00 4.33 -0.14 -1.26 -4.89 119.74 119.07 1t6r s LYS 44 Ca 0.04 1.43 0.08 0.00 -1.36 0.00 0.00 55.97 56.15 1t6r s LYS 44 Cb 0.05 -3.68 0.45 0.00 -1.68 0.00 0.00 37.83 32.98 1t6r s LYS 44 CO 0.14 -0.66 1.10 1.63 -0.76 0.00 0.00 175.35 176.80 1t6r n LYS 45 N 6.42 0.77 -4.19 1.68 5.02 -1.26 -4.63 118.16 121.97 1t6r n LYS 45 Ca 0.13 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 1t6r n LYS 45 Cb 0.46 -1.15 -0.17 0.00 -0.02 0.00 0.00 35.03 34.15 1t6r n LYS 45 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1t6r s LYS 46 N -2.00 1.38 -0.04 1.97 0.00 -1.26 -1.32 119.74 118.48 1t6r s LYS 46 Ca 0.11 -0.25 0.07 0.00 0.00 0.00 0.00 55.97 55.90 1t6r s LYS 46 Cb 0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 37.83 36.54 1t6r s LYS 46 CO 0.09 -0.13 -0.24 0.42 0.00 0.00 0.00 175.35 175.49 1t6r s ILE 47 N 1.20 1.93 -0.32 3.79 -1.09 -1.25 -2.09 121.20 123.37 1t6r s ILE 47 Ca -0.05 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 1t6r s ILE 47 Cb -0.14 -1.62 0.10 0.00 -1.58 0.00 0.00 42.46 39.22 1t6r s ILE 47 CO -0.02 0.54 0.09 -0.69 -1.23 0.00 0.00 174.94 173.63 1t6r s VAL 48 N -0.36 1.12 -1.16 2.92 1.01 0.36 -2.36 120.40 121.93 1t6r s VAL 48 Ca 0.03 -1.58 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 1t6r s VAL 48 Cb -0.11 -1.84 0.10 0.00 0.00 0.00 0.00 36.38 34.53 1t6r s VAL 48 CO 0.01 -0.67 1.50 -0.22 0.00 0.00 0.00 175.10 175.72 1t6r s LEU 49 N 1.48 4.29 -0.47 3.92 2.96 -0.18 -1.38 118.68 129.30 1t6r s LEU 49 Ca 0.10 -2.32 -0.27 0.00 -0.22 0.00 0.00 54.13 51.41 1t6r s LEU 49 Cb -0.18 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 1t6r s LEU 49 CO -0.22 -1.11 1.84 -0.62 -1.32 0.00 0.00 176.35 174.92 1t6r s ASP 50 N 3.91 5.55 -0.11 3.68 -1.08 -0.23 -0.96 116.67 127.44 1t6r s ASP 50 Ca 0.46 0.82 0.09 0.00 -0.52 0.00 0.00 52.55 53.40 1t6r s ASP 50 Cb -0.00 -2.53 0.44 0.00 -1.46 0.00 0.00 42.92 39.37 1t6r s ASP 50 CO -0.01 -2.07 1.22 0.18 0.52 0.00 0.00 175.17 175.01 1t6r n LEU 51 N 11.65 3.37 0.19 -1.34 4.77 0.05 -0.37 117.00 135.31 1t6r n LEU 51 Ca 0.22 -1.70 0.13 0.00 -0.03 0.00 0.00 56.01 54.63 1t6r n LEU 51 Cb 0.50 -0.54 0.67 0.00 -2.33 0.00 0.00 43.42 41.72 1t6r n LEU 51 CO 0.70 0.48 0.90 -1.28 -1.33 0.00 0.00 177.39 176.85 1t6r h SER 52 N 2.26 0.00 0.00 -1.43 0.87 -1.74 0.11 113.55 113.62 1t6r h SER 52 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1t6r h SER 52 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1t6r h SER 52 CO 0.22 0.00 -0.74 -1.20 -0.53 0.00 0.00 176.83 174.58 1t6r n SER 53 N -2.42 0.80 -4.78 6.23 7.64 -1.23 -4.95 113.62 114.91 1t6r n SER 53 Ca -0.01 -0.69 -0.37 0.00 1.01 0.00 0.00 58.87 58.81 1t6r n SER 53 Cb 0.09 1.09 -0.05 0.00 -1.01 0.00 0.00 64.21 64.32 1t6r n SER 53 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t6r s VAL 54 N -2.30 3.89 0.00 0.44 1.01 0.02 -4.31 120.40 119.15 1t6r s VAL 54 Ca 0.03 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1t6r s VAL 54 Cb 0.09 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1t6r s VAL 54 CO 0.53 0.12 0.00 -0.24 0.00 0.00 0.00 175.10 175.50 1t6r n SER 55 N 0.37 0.00 -4.79 3.32 2.88 -1.26 -4.61 113.62 109.53 1t6r n SER 55 Ca 0.03 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.26 1t6r n SER 55 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1t6r n SER 55 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1t6r s TYR 56 N -1.00 3.24 -0.26 0.66 5.04 -1.26 -4.04 117.35 119.72 1t6r s TYR 56 Ca 0.00 0.11 -0.11 0.00 -2.44 0.00 0.00 57.07 54.63 1t6r s TYR 56 Cb 0.00 -1.65 0.10 0.00 0.35 0.00 0.00 41.96 40.76 1t6r s TYR 56 CO 0.00 0.53 0.60 1.41 -1.34 0.00 0.00 175.55 176.75 1t6r s MET 57 N -2.31 0.55 0.00 4.97 -2.45 -1.26 -0.73 119.30 118.07 1t6r s MET 57 Ca 0.29 1.26 0.00 0.00 -1.25 0.00 0.00 55.69 55.99 1t6r s MET 57 Cb -0.12 0.50 0.00 0.00 1.25 0.00 0.00 34.83 36.45 1t6r s MET 57 CO 0.22 -0.19 0.00 -3.47 1.05 0.00 0.00 175.02 172.62 1t6r n ASP 58 N 5.02 0.00 0.00 1.11 -0.08 0.47 -4.93 116.55 118.13 1t6r n ASP 58 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1t6r n ASP 58 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1t6r n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1t6r n ALA 60 N -3.00 0.00 -0.20 -1.67 0.00 -1.26 -2.65 120.51 111.73 1t6r n ALA 60 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1t6r n ALA 60 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 19.45 19.95 1t6r n ALA 60 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1t6r h GLY 61 N 0.00 0.80 2.00 0.00 0.00 -1.88 -1.61 103.07 102.37 1t6r h GLY 61 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1t6r h GLY 61 CO 0.00 0.04 0.00 -2.00 0.00 0.00 0.00 176.54 174.58 1t6r h LEU 62 N 0.43 0.00 0.05 3.11 5.85 -1.87 -1.65 115.31 121.23 1t6r h LEU 62 Ca 0.41 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.80 1t6r h LEU 62 Cb 0.95 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1t6r h LEU 62 CO -0.14 0.00 -1.87 0.61 -0.34 0.00 0.00 178.44 176.70 1t6r n GLY 63 N 0.74 -0.80 0.20 3.75 0.00 -0.96 -4.29 105.19 103.83 1t6r n GLY 63 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1t6r n GLY 63 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1t6r h THR 64 N 0.03 0.63 -0.01 2.61 2.02 -0.82 -0.94 112.91 116.42 1t6r h THR 64 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1t6r h THR 64 Cb 2.03 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1t6r h THR 64 CO 0.08 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.91 1t6r h LEU 65 N -0.27 0.00 -0.70 2.58 3.38 -1.53 0.14 115.31 118.91 1t6r h LEU 65 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1t6r h LEU 65 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1t6r h LEU 65 CO -0.13 0.00 -0.44 0.58 0.09 0.00 0.00 178.44 178.54 1t6r h VAL 66 N 0.00 1.31 -0.13 1.22 2.07 -1.55 -0.98 116.25 118.19 1t6r h VAL 66 Ca 0.01 -1.62 0.04 0.00 0.82 0.00 0.00 66.70 65.94 1t6r h VAL 66 Cb 0.03 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1t6r h VAL 66 CO -0.00 0.50 -0.09 0.58 0.02 0.00 0.00 177.57 178.58 1t6r h VAL 67 N 0.39 0.73 -0.83 2.57 2.07 0.54 -1.54 116.25 120.18 1t6r h VAL 67 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1t6r h VAL 67 Cb 0.93 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1t6r h VAL 67 CO 0.08 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.52 1t6r h ILE 68 N -0.09 1.24 0.21 4.57 1.08 -0.63 0.60 117.51 124.49 1t6r h ILE 68 Ca 0.08 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1t6r h ILE 68 Cb 0.21 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 1t6r h ILE 68 CO -0.19 0.27 -0.10 0.25 -0.69 0.00 0.00 178.15 177.69 1t6r h LEU 69 N 1.17 -0.24 -1.38 1.44 7.12 -1.11 -1.02 115.31 121.28 1t6r h LEU 69 Ca 0.29 -0.10 0.18 0.00 0.13 0.00 0.00 57.88 58.39 1t6r h LEU 69 Cb 0.03 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 40.15 1t6r h LEU 69 CO -0.05 -0.04 0.59 0.50 -0.13 0.00 0.00 178.44 179.31 1t6r h LYS 70 N -0.43 0.52 -0.24 1.25 3.64 -0.61 0.01 116.57 120.71 1t6r h LYS 70 Ca -0.03 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1t6r h LYS 70 Cb 0.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1t6r h LYS 70 CO 0.05 0.34 -0.46 -0.44 -2.27 0.00 0.00 179.45 176.67 1t6r h ASP 71 N 0.53 0.68 0.13 4.20 5.19 -0.40 -1.49 116.42 125.27 1t6r h ASP 71 Ca 0.48 -0.33 0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1t6r h ASP 71 Cb 1.00 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 1t6r h ASP 71 CO -0.21 1.04 -0.14 0.00 -3.12 0.00 0.00 179.24 176.81 1t6r h ALA 72 N 0.98 -0.27 -0.01 3.45 0.00 0.28 -1.54 119.26 122.15 1t6r h ALA 72 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1t6r h ALA 72 Cb 1.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1t6r h ALA 72 CO 0.09 -0.68 -0.65 0.87 0.00 0.00 0.00 179.25 178.89 1t6r h LYS 73 N -0.31 0.05 0.12 0.00 1.79 -1.16 0.12 116.57 117.19 1t6r h LYS 73 Ca 0.01 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1t6r h LYS 73 Cb 0.30 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 1t6r h LYS 73 CO -0.05 0.68 -0.47 0.82 -1.08 0.00 0.00 179.45 179.36 1t6r h ILE 74 N 0.04 0.08 0.00 1.86 2.04 -1.22 -2.47 117.51 117.83 1t6r h ILE 74 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1t6r h ILE 74 Cb 1.15 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1t6r h ILE 74 CO 0.09 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.83 1t6r n ASN 75 N -5.48 0.00 -3.29 1.72 3.02 -0.59 -4.90 115.26 105.74 1t6r n ASN 75 Ca -0.08 -0.31 -0.16 0.00 -0.03 0.00 0.00 54.58 54.01 1t6r n ASN 75 Cb 0.40 -0.16 0.07 0.00 -0.61 0.00 0.00 39.78 39.48 1t6r n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t6r n GLY 76 N 0.45 -1.08 3.31 7.41 0.00 0.23 -5.05 105.19 110.45 1t6r n GLY 76 Ca 0.13 0.54 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 1t6r n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6r s LYS 77 N -4.57 1.42 0.75 1.61 -2.85 -0.04 -4.95 119.74 111.11 1t6r s LYS 77 Ca 0.42 -1.77 -0.11 0.00 -1.00 0.00 0.00 55.97 53.51 1t6r s LYS 77 Cb -0.06 -0.19 0.04 0.00 -2.06 0.00 0.00 37.83 35.56 1t6r s LYS 77 CO 0.75 -0.32 1.08 -1.21 0.10 0.00 0.00 175.35 175.74 1t6r s GLU 78 N -4.02 2.46 -0.12 1.78 0.41 -0.43 -4.20 118.70 114.58 1t6r s GLU 78 Ca 0.38 0.98 -0.04 0.00 -0.41 0.00 0.00 54.97 55.88 1t6r s GLU 78 Cb 0.07 -1.93 0.05 0.00 -1.78 0.00 0.00 34.13 30.54 1t6r s GLU 78 CO 0.14 -1.44 0.07 0.12 -0.49 0.00 0.00 175.26 173.66 1t6r s PHE 79 N -3.00 0.26 0.10 1.61 5.36 -1.26 -3.92 117.98 117.13 1t6r s PHE 79 Ca 0.60 -0.17 0.08 0.00 -0.96 0.00 0.00 56.93 56.49 1t6r s PHE 79 Cb -0.15 -0.66 -0.04 0.00 -0.34 0.00 0.00 43.02 41.83 1t6r s PHE 79 CO 0.55 -0.40 -0.21 0.42 -1.46 0.00 0.00 175.22 174.12 1t6r s ILE 80 N 2.11 1.74 0.00 3.12 1.01 -1.00 -4.35 121.20 123.84 1t6r s ILE 80 Ca 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1t6r s ILE 80 Cb -0.15 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1t6r s ILE 80 CO -0.07 -0.06 0.00 0.18 0.00 0.00 0.00 174.94 175.00 1t6r n LEU 81 N 1.06 0.00 0.00 2.97 4.77 -1.19 -1.01 117.00 123.61 1t6r n LEU 81 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1t6r n LEU 81 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1t6r n LEU 81 CO 0.22 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.04 1t6r n SER 82 N 0.00 0.00 -3.11 -1.43 2.88 -0.13 -2.33 113.62 109.50 1t6r n SER 82 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1t6r n SER 82 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 1t6r n SER 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t6r n SER 83 N 0.00 -6.50 -4.62 -3.46 7.64 -1.12 -0.77 113.62 104.79 1t6r n SER 83 Ca 0.00 -0.58 -0.43 0.00 1.01 0.00 0.00 58.87 58.87 1t6r n SER 83 Cb 0.00 -4.92 -0.02 0.00 -1.01 0.00 0.00 64.21 58.26 1t6r n SER 83 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1t6r s LEU 84 N -5.04 3.74 0.32 -3.43 2.01 -1.26 -3.08 118.68 111.94 1t6r s LEU 84 Ca 0.37 0.80 -0.27 0.00 0.01 0.00 0.00 54.13 55.04 1t6r s LEU 84 Cb -0.05 -3.54 -0.09 0.00 0.01 0.00 0.00 46.19 42.51 1t6r s LEU 84 CO 0.69 -1.16 1.04 -0.54 1.01 0.00 0.00 176.35 177.40 1t6r s LYS 85 N 4.28 4.52 0.16 1.70 1.02 -1.26 -4.73 119.74 125.43 1t6r s LYS 85 Ca 0.51 1.61 -0.13 0.00 0.02 0.00 0.00 55.97 57.99 1t6r s LYS 85 Cb -0.11 -2.95 0.16 0.00 -0.52 0.00 0.00 37.83 34.41 1t6r s LYS 85 CO 0.26 0.15 1.09 0.39 -0.92 0.00 0.00 175.35 176.33 1t6r n GLU 86 N 0.76 -0.17 0.36 1.68 1.02 -1.26 -0.13 120.64 122.90 1t6r n GLU 86 Ca 0.01 1.08 -0.14 0.00 -0.02 0.00 0.00 57.16 58.09 1t6r n GLU 86 Cb 0.47 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 1t6r n GLU 86 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1t6r h SER 87 N 0.00 -0.78 -0.32 1.62 0.87 -1.93 -1.88 113.55 111.13 1t6r h SER 87 Ca 0.24 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.90 1t6r h SER 87 Cb 0.42 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.50 1t6r h SER 87 CO -0.70 -0.52 -0.28 0.40 -0.53 0.00 0.00 176.83 175.20 1t6r h ILE 88 N -1.00 0.31 -0.95 2.23 1.08 -1.46 -1.77 117.51 115.95 1t6r h ILE 88 Ca -0.09 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.48 1t6r h ILE 88 Cb 0.71 0.31 -0.13 0.00 -3.07 0.00 0.00 36.82 34.64 1t6r h ILE 88 CO 0.15 0.00 -0.54 -1.28 -0.69 0.00 0.00 178.15 175.80 1t6r h SER 89 N -0.25 -1.96 -0.17 1.72 0.87 -0.51 0.18 113.55 113.43 1t6r h SER 89 Ca 0.16 0.32 0.05 0.00 -1.23 0.00 0.00 61.79 61.09 1t6r h SER 89 Cb 0.50 0.89 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 1t6r h SER 89 CO -0.46 -0.26 -0.28 0.03 -0.53 0.00 0.00 176.83 175.33 1t6r h ARG 90 N -0.03 -0.32 -0.95 2.24 -0.00 -0.51 -2.46 114.38 112.35 1t6r h ARG 90 Ca 0.20 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.78 1t6r h ARG 90 Cb 0.47 0.07 -0.07 0.00 0.00 0.00 0.00 29.97 30.45 1t6r h ARG 90 CO -0.92 -0.21 0.61 0.82 0.00 0.00 0.00 179.97 180.27 1t6r h ILE 91 N -0.33 1.04 -0.44 2.04 2.04 -0.02 0.26 117.51 122.10 1t6r h ILE 91 Ca 0.11 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1t6r h ILE 91 Cb 0.50 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1t6r h ILE 91 CO -0.36 0.19 0.12 -0.07 0.00 0.00 0.00 178.15 178.04 1t6r h LEU 92 N 1.06 0.65 -1.45 1.44 -0.00 -0.70 -2.62 115.31 113.68 1t6r h LEU 92 Ca 0.42 -0.22 -0.05 0.00 -0.00 0.00 0.00 57.88 58.03 1t6r h LEU 92 Cb 0.25 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1t6r h LEU 92 CO -0.17 0.70 -0.24 0.11 -0.00 0.00 0.00 178.44 178.83 1t6r h LYS 93 N 0.57 0.00 0.62 1.13 6.56 -0.48 0.11 116.57 125.07 1t6r h LYS 93 Ca 0.14 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.71 1t6r h LYS 93 Cb 0.29 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1t6r h LYS 93 CO -0.00 0.24 -0.41 -0.07 -2.06 0.00 0.00 179.45 177.15 1t6r h LEU 94 N 0.00 -1.06 -1.78 2.94 3.38 -0.20 -1.02 115.31 117.56 1t6r h LEU 94 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1t6r h LEU 94 Cb 0.58 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1t6r h LEU 94 CO 0.03 -0.63 0.00 0.41 0.09 0.00 0.00 178.44 178.35 1t6r n THR 95 N -5.54 0.87 -3.32 0.22 -1.04 -1.24 -4.87 114.28 99.36 1t6r n THR 95 Ca -0.13 -0.45 -0.21 0.00 -2.04 0.00 0.00 64.05 61.22 1t6r n THR 95 Cb 0.43 -0.40 -0.01 0.00 -1.82 0.00 0.00 70.33 68.53 1t6r n THR 95 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1t6r n HIS 96 N 0.20 -1.71 0.22 -1.42 8.25 -0.39 -4.85 115.22 115.53 1t6r n HIS 96 Ca 0.09 0.39 0.05 0.00 -0.26 0.00 0.00 57.72 57.99 1t6r n HIS 96 Cb 0.54 -2.48 0.50 0.00 1.12 0.00 0.00 29.99 29.67 1t6r n HIS 96 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1t6r h LEU 97 N -0.73 0.00 -0.28 2.41 3.38 -1.02 -2.53 115.31 116.54 1t6r h LEU 97 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1t6r h LEU 97 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1t6r h LEU 97 CO 0.48 0.21 0.04 -0.90 0.09 0.00 0.00 178.44 178.36 1t6r n ASP 98 N -4.22 0.11 -0.13 -0.43 5.75 -1.05 -0.41 116.55 116.16 1t6r n ASP 98 Ca -0.02 0.52 0.04 0.00 -0.01 0.00 0.00 54.79 55.31 1t6r n ASP 98 Cb 0.27 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 1t6r n ASP 98 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1t6r n LYS 99 N -1.62 2.79 -0.03 0.11 2.85 -0.95 -3.36 118.16 117.94 1t6r n LYS 99 Ca -0.00 -0.40 -0.02 0.00 -1.05 0.00 0.00 58.31 56.84 1t6r n LYS 99 Cb 0.05 -0.97 -0.01 0.00 -0.65 0.00 0.00 35.03 33.45 1t6r n LYS 99 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1t6r h ILE 100 N 0.66 0.00 -0.14 0.58 2.04 -1.19 -3.38 117.51 116.07 1t6r h ILE 100 Ca 0.00 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1t6r h ILE 100 Cb 0.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1t6r h ILE 100 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64 1t6r n PHE 101 N -3.38 0.38 -1.81 1.37 3.72 0.45 -4.97 117.46 113.22 1t6r n PHE 101 Ca -0.03 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1t6r n PHE 101 Cb 0.11 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1t6r n PHE 101 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1t6r n LYS 102 N 0.08 0.00 -3.49 -1.08 0.00 -1.24 -3.18 118.16 109.26 1t6r n LYS 102 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.27 1t6r n LYS 102 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.35 1t6r n LYS 102 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1t6r s ILE 103 N 0.00 0.00 0.00 3.15 2.07 -1.21 -4.29 121.20 120.91 1t6r s ILE 103 Ca 0.00 -0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.04 1t6r s ILE 103 Cb 0.00 -1.11 0.01 0.00 0.13 0.00 0.00 42.46 41.49 1t6r s ILE 103 CO 0.00 0.00 0.19 0.42 -1.91 0.00 0.00 174.94 173.64 1t6r s THR 104 N -3.59 0.08 0.19 4.00 -4.23 -1.26 -4.99 115.64 105.84 1t6r s THR 104 Ca 0.03 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1t6r s THR 104 Cb -0.01 -0.56 -0.09 0.00 1.34 0.00 0.00 72.50 73.17 1t6r s THR 104 CO -0.10 -0.37 1.46 0.44 -0.54 0.00 0.00 174.62 175.51 1t6r h ASP 105 N 4.03 0.41 -5.13 3.99 3.32 -1.96 -2.98 116.42 118.10 1t6r h ASP 105 Ca -0.31 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.37 1t6r h ASP 105 Cb 1.19 -0.12 -0.16 0.00 0.22 0.00 0.00 39.33 40.46 1t6r h ASP 105 CO 0.42 0.99 -0.47 0.42 -1.72 0.00 0.00 179.24 178.87 1t6r s THR 106 N -3.61 0.14 0.34 0.35 -4.23 -1.26 -4.04 115.64 103.33 1t6r s THR 106 Ca -0.05 -1.18 0.21 0.00 -1.18 0.00 0.00 61.69 59.49 1t6r s THR 106 Cb 0.11 -1.12 0.34 0.00 1.34 0.00 0.00 72.50 73.17 1t6r s THR 106 CO 0.83 -0.65 1.38 0.52 -0.54 0.00 0.00 174.62 176.16 1t6r n VAL 107 N 0.41 -0.33 0.26 2.29 0.31 -1.26 -0.52 118.33 119.48 1t6r n VAL 107 Ca -0.17 1.73 0.14 0.00 -0.01 0.00 0.00 64.34 66.04 1t6r n VAL 107 Cb 0.60 -2.82 0.83 0.00 -0.91 0.00 0.00 33.84 31.54 1t6r n VAL 107 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1t6r h GLU 108 N 0.00 0.00 -0.34 5.55 4.39 -2.01 -1.83 114.58 120.34 1t6r h GLU 108 Ca 0.75 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.45 1t6r h GLU 108 Cb 2.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 1t6r h GLU 108 CO -0.61 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.33 1t6r n GLU 109 N -4.00 2.48 0.00 2.33 4.07 0.32 -5.17 120.64 120.68 1t6r n GLU 109 Ca -0.01 -2.24 0.15 0.00 -0.06 0.00 0.00 57.16 54.99 1t6r n GLU 109 Cb 0.16 -1.51 0.75 0.00 -0.06 0.00 0.00 31.44 30.78 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07