#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6r h ASN 2 N 0.00 0.69 0.00 6.12 -1.07 -2.05 -3.48 115.58 115.78 1t6r h ASN 2 Ca 0.00 -0.92 0.00 0.00 0.07 0.00 0.00 56.30 55.45 1t6r h ASN 2 Cb 0.00 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.03 1t6r h ASN 2 CO 0.00 1.69 0.00 -3.20 0.07 0.00 0.00 177.43 175.99 1t6r n ASN 3 N -3.76 0.00 -4.74 6.14 5.15 -1.26 -4.82 115.26 111.98 1t6r n ASN 3 Ca -0.20 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.36 1t6r n ASN 3 Cb 1.04 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 40.27 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 4.35 0.22 1.20 1.98 -1.26 -4.39 118.68 120.79 1t6r s LEU 4 Ca 0.00 2.93 -0.12 0.00 -2.89 0.00 0.00 54.13 54.05 1t6r s LEU 4 Cb 0.00 -3.62 -0.00 0.00 0.66 0.00 0.00 46.19 43.23 1t6r s LEU 4 CO 0.00 -0.95 0.44 -0.75 -1.89 0.00 0.00 176.35 173.20 1t6r s LYS 5 N 0.22 1.44 -0.24 1.98 2.47 0.38 -4.97 119.74 121.02 1t6r s LYS 5 Ca 0.68 -1.19 -0.03 0.00 -1.56 0.00 0.00 55.97 53.87 1t6r s LYS 5 Cb -0.49 0.45 0.11 0.00 -1.46 0.00 0.00 37.83 36.45 1t6r s LYS 5 CO 0.41 -0.59 0.25 -0.51 0.16 0.00 0.00 175.35 175.08 1t6r s LEU 6 N -2.99 -0.14 -1.38 5.43 1.43 -1.26 -1.18 118.68 118.58 1t6r s LEU 6 Ca 0.20 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1t6r s LEU 6 Cb 0.00 0.42 0.09 0.00 0.03 0.00 0.00 46.19 46.74 1t6r s LEU 6 CO 0.06 -0.36 2.16 -0.67 0.23 0.00 0.00 176.35 177.77 1t6r n ASP 7 N 5.31 5.35 -4.70 2.29 -0.08 -0.11 -4.86 116.55 119.76 1t6r n ASP 7 Ca -0.04 -2.97 -0.42 0.00 -1.51 0.00 0.00 54.79 49.84 1t6r n ASP 7 Cb 0.48 -1.53 -0.03 0.00 2.34 0.00 0.00 41.12 42.38 1t6r n ASP 7 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1t6r s ILE 8 N 1.32 3.60 -0.04 5.18 1.01 -1.26 -1.57 121.20 129.43 1t6r s ILE 8 Ca 0.46 1.07 -0.01 0.00 0.00 0.00 0.00 60.65 62.17 1t6r s ILE 8 Cb 0.13 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.95 1t6r s ILE 8 CO -0.04 0.04 0.08 -0.69 0.00 0.00 0.00 174.94 174.32 1t6r s VAL 9 N 1.82 -0.09 -0.65 2.92 1.01 0.61 -4.95 120.40 121.07 1t6r s VAL 9 Ca 0.64 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 1t6r s VAL 9 Cb -0.33 -0.16 0.17 0.00 0.00 0.00 0.00 36.38 36.05 1t6r s VAL 9 CO 0.28 0.11 0.57 -1.61 0.00 0.00 0.00 175.10 174.45 1t6r s GLU 10 N 1.42 3.08 0.00 2.72 2.02 -1.26 -0.51 118.70 126.17 1t6r s GLU 10 Ca -0.05 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.82 1t6r s GLU 10 Cb -0.12 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 29.90 1t6r s GLU 10 CO -0.04 -1.27 0.00 0.94 0.02 0.00 0.00 175.26 174.91 1t6r n GLN 11 N 4.47 0.00 -0.50 1.61 7.27 -1.15 -4.88 117.38 124.19 1t6r n GLN 11 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.00 1t6r n GLN 11 Cb 0.43 -0.47 0.10 0.00 2.41 0.00 0.00 30.24 32.70 1t6r n GLN 11 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1t6r n ASP 12 N -1.21 3.27 -0.53 1.69 -0.08 -1.26 -4.75 116.55 113.67 1t6r n ASP 12 Ca 0.00 -2.63 -0.07 0.00 -1.51 0.00 0.00 54.79 50.58 1t6r n ASP 12 Cb 0.00 -0.63 -0.03 0.00 2.34 0.00 0.00 41.12 42.80 1t6r n ASP 12 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1t6r n ASP 13 N -0.12 -4.94 -4.21 1.67 2.03 -1.26 -4.99 116.55 104.74 1t6r n ASP 13 Ca 0.23 0.17 -0.14 0.00 0.52 0.00 0.00 54.79 55.58 1t6r n ASP 13 Cb 0.94 -3.05 -0.10 0.00 -0.72 0.00 0.00 41.12 38.19 1t6r n ASP 13 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1t6r s LYS 14 N -2.27 0.96 -0.94 -0.67 -2.85 -1.26 -4.86 119.74 107.85 1t6r s LYS 14 Ca 0.00 -1.35 -0.16 0.00 -1.00 0.00 0.00 55.97 53.46 1t6r s LYS 14 Cb 0.00 -0.53 0.17 0.00 -2.06 0.00 0.00 37.83 35.42 1t6r s LYS 14 CO 0.00 0.06 1.04 0.00 0.10 0.00 0.00 175.35 176.56 1t6r s ALA 15 N -3.12 3.75 0.59 0.59 0.00 -0.01 -2.96 121.76 120.61 1t6r s ALA 15 Ca 0.13 -3.08 -0.16 0.00 0.00 0.00 0.00 51.96 48.85 1t6r s ALA 15 Cb 0.01 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1t6r s ALA 15 CO -0.01 -2.69 1.07 0.42 0.00 0.00 0.00 175.76 174.55 1t6r s ILE 16 N 1.52 3.72 -0.27 0.00 1.09 0.33 -0.72 121.20 126.87 1t6r s ILE 16 Ca 0.29 0.83 -0.01 0.00 -1.10 0.00 0.00 60.65 60.67 1t6r s ILE 16 Cb -0.07 -3.35 0.14 0.00 -1.06 0.00 0.00 42.46 38.13 1t6r s ILE 16 CO -0.08 -0.46 0.36 0.54 -0.10 0.00 0.00 174.94 175.20 1t6r s VAL 17 N -2.39 -0.55 -0.75 2.92 0.11 -0.29 -0.28 120.40 119.17 1t6r s VAL 17 Ca 0.65 -0.24 -0.26 0.00 -2.93 0.00 0.00 61.98 59.20 1t6r s VAL 17 Cb -0.17 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1t6r s VAL 17 CO 0.36 -0.26 1.24 -0.13 -3.33 0.00 0.00 175.10 172.98 1t6r s ARG 18 N 2.49 3.22 0.36 1.54 0.52 -0.61 -1.29 118.95 125.18 1t6r s ARG 18 Ca 0.11 -0.45 -0.28 0.00 -0.52 0.00 0.00 55.73 54.58 1t6r s ARG 18 Cb -0.14 -4.31 -0.11 0.00 0.52 0.00 0.00 34.95 30.91 1t6r s ARG 18 CO -0.24 -2.09 1.48 0.08 0.02 0.00 0.00 175.30 174.55 1t6r s VAL 19 N 5.32 2.10 -0.04 3.52 1.01 0.26 -0.93 120.40 131.64 1t6r s VAL 19 Ca 0.34 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.47 1t6r s VAL 19 Cb -0.09 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1t6r s VAL 19 CO 0.11 0.02 -0.18 -1.10 0.00 0.00 0.00 175.10 173.96 1t6r s GLN 20 N -1.90 1.84 0.00 2.72 -0.21 -0.33 -3.78 119.66 118.00 1t6r s GLN 20 Ca 0.54 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1t6r s GLN 20 Cb -0.46 -1.61 0.00 0.00 1.00 0.00 0.00 33.01 31.94 1t6r s GLN 20 CO 0.61 0.28 0.00 0.41 -2.12 0.00 0.00 175.29 174.47 1t6r n GLY 21 N 3.05 2.87 3.18 3.09 0.00 -1.26 -0.47 105.19 115.65 1t6r n GLY 21 Ca -0.18 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 1t6r n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6r s ASP 22 N 0.00 2.91 -0.31 1.61 1.01 -1.26 -3.22 116.67 117.40 1t6r s ASP 22 Ca 0.00 -0.53 -0.16 0.00 0.71 0.00 0.00 52.55 52.57 1t6r s ASP 22 Cb 0.00 -1.33 -0.02 0.00 1.01 0.00 0.00 42.92 42.58 1t6r s ASP 22 CO 0.00 0.12 0.42 -0.63 0.21 0.00 0.00 175.17 175.30 1t6r s ILE 23 N 0.49 5.11 0.36 0.77 1.01 -0.18 -4.85 121.20 123.91 1t6r s ILE 23 Ca -0.16 0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.92 1t6r s ILE 23 Cb -0.17 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1t6r s ILE 23 CO 0.06 -0.04 0.22 -0.62 0.00 0.00 0.00 174.94 174.56 1t6r s ASP 24 N 1.70 2.07 0.00 3.58 2.15 -1.26 -1.96 116.67 122.94 1t6r s ASP 24 Ca 0.16 -1.72 0.03 0.00 0.43 0.00 0.00 52.55 51.44 1t6r s ASP 24 Cb -0.16 0.54 0.15 0.00 -0.30 0.00 0.00 42.92 43.16 1t6r s ASP 24 CO 0.11 -1.01 0.63 0.00 -0.17 0.00 0.00 175.17 174.73 1t6r n ALA 25 N -0.73 1.59 0.67 3.66 0.00 -1.26 -0.56 120.51 123.89 1t6r n ALA 25 Ca 0.02 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1t6r n ALA 25 Cb 0.63 -1.04 0.14 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.99 0.34 0.00 0.00 4.01 -1.26 -4.66 117.16 114.59 1t6r n TYR 26 Ca 0.02 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1t6r n TYR 26 Cb 0.01 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 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 -1.92 0.39 -0.20 7.72 3.02 0.28 -4.73 115.26 119.82 1t6r n ASN 27 Ca 0.03 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.59 1t6r n ASN 27 Cb 0.41 0.01 0.09 0.00 -0.61 0.00 0.00 39.78 39.69 1t6r n ASN 27 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1t6r h SER 28 N 0.00 -0.29 -0.95 6.41 4.64 -1.25 0.27 113.55 122.38 1t6r h SER 28 Ca 0.00 0.15 0.29 0.00 -0.47 0.00 0.00 61.79 61.76 1t6r h SER 28 Cb 0.09 0.27 -0.18 0.00 -0.31 0.00 0.00 62.40 62.28 1t6r h SER 28 CO 0.00 -0.12 0.13 -0.24 -0.87 0.00 0.00 176.83 175.73 1t6r n SER 29 N -5.29 -0.02 -0.12 4.97 2.88 -1.26 -0.13 113.62 114.66 1t6r n SER 29 Ca 0.09 1.61 -0.25 0.00 -1.33 0.00 0.00 58.87 58.99 1t6r n SER 29 Cb 0.34 -0.63 -0.11 0.00 -0.75 0.00 0.00 64.21 63.07 1t6r n SER 29 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t6r n GLU 30 N -5.36 0.62 -0.34 -1.46 -0.58 -0.22 -3.69 120.64 109.62 1t6r n GLU 30 Ca 0.25 0.26 0.28 0.00 -0.42 0.00 0.00 57.16 57.54 1t6r n GLU 30 Cb 0.84 -1.55 0.53 0.00 -0.57 0.00 0.00 31.44 30.69 1t6r n GLU 30 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1t6r h LEU 31 N -0.60 0.43 0.93 -4.62 6.46 -0.45 -0.89 115.31 116.56 1t6r h LEU 31 Ca -0.60 0.21 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1t6r h LEU 31 Cb 1.70 0.18 0.01 0.00 -0.73 0.00 0.00 40.66 41.82 1t6r h LEU 31 CO -0.26 -0.25 -0.45 0.50 -0.62 0.00 0.00 178.44 177.37 1t6r h LYS 32 N 0.19 -1.20 0.00 1.25 3.64 -0.63 0.75 116.57 120.57 1t6r h LYS 32 Ca 0.78 0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 60.19 1t6r h LYS 32 Cb 1.95 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 34.04 1t6r h LYS 32 CO -0.65 -0.80 -0.23 1.05 -2.27 0.00 0.00 179.45 176.55 1t6r h GLU 33 N -1.25 0.00 0.21 1.90 4.11 -1.29 0.48 114.58 118.74 1t6r h GLU 33 Ca -0.13 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.01 1t6r h GLU 33 Cb 0.96 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.23 1t6r h GLU 33 CO 0.21 0.23 -1.31 1.96 0.07 0.00 0.00 179.01 180.17 1t6r h GLN 34 N 0.00 0.44 -0.86 1.06 4.20 -1.17 -1.51 115.11 117.27 1t6r h GLN 34 Ca -0.00 -0.76 0.03 0.00 0.06 0.00 0.00 58.65 57.98 1t6r h GLN 34 Cb 0.52 0.28 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 1t6r h GLN 34 CO 0.03 1.36 0.56 -0.07 -0.67 0.00 0.00 178.83 180.04 1t6r h LEU 35 N -0.04 0.94 -0.54 1.46 -0.00 -0.69 -0.31 115.31 116.13 1t6r h LEU 35 Ca -0.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1t6r h LEU 35 Cb 1.99 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 42.41 1t6r h LEU 35 CO 0.22 0.65 0.32 -0.09 -0.00 0.00 0.00 178.44 179.54 1t6r h ARG 36 N 1.10 0.74 0.37 1.13 2.43 -0.73 0.14 114.38 119.56 1t6r h ARG 36 Ca 0.34 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1t6r h ARG 36 Cb -0.03 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1t6r h ARG 36 CO -0.10 0.54 -0.21 -0.91 -1.51 0.00 0.00 179.97 177.78 1t6r h ASN 37 N 0.73 -0.52 -0.60 -3.80 2.35 -1.12 -1.82 115.58 110.79 1t6r h ASN 37 Ca 0.19 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 56.09 1t6r h ASN 37 Cb -0.00 0.15 -0.09 0.00 0.05 0.00 0.00 38.32 38.43 1t6r h ASN 37 CO -0.04 -0.35 0.12 0.15 -1.65 0.00 0.00 177.43 175.66 1t6r h PHE 38 N -0.55 0.18 0.00 1.19 3.57 -0.64 0.15 116.94 120.83 1t6r h PHE 38 Ca -0.04 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1t6r h PHE 38 Cb 0.45 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1t6r h PHE 38 CO -0.08 -0.05 -0.27 0.82 -2.23 0.00 0.00 178.31 176.51 1t6r h ILE 39 N 0.24 0.75 -0.25 1.41 2.04 -0.69 -0.02 117.51 121.00 1t6r h ILE 39 Ca 0.32 -1.12 -0.19 0.00 1.00 0.00 0.00 64.86 64.87 1t6r h ILE 39 Cb 0.48 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1t6r h ILE 39 CO -0.41 0.26 -0.58 -1.28 0.00 0.00 0.00 178.15 176.14 1t6r h SER 40 N 0.00 0.94 0.02 1.72 0.87 0.10 -3.38 113.55 113.82 1t6r h SER 40 Ca -0.00 -0.56 -0.19 0.00 -1.23 0.00 0.00 61.79 59.81 1t6r h SER 40 Cb 0.67 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1t6r h SER 40 CO 0.03 1.33 -1.03 0.71 -0.53 0.00 0.00 176.83 177.34 1t6r h THR 41 N 0.60 1.11 -2.60 2.23 1.35 -0.69 -3.48 112.91 111.43 1t6r h THR 41 Ca -0.00 -2.25 -0.53 0.00 -0.55 0.00 0.00 66.41 63.08 1t6r h THR 41 Cb 1.19 2.55 0.04 0.00 -1.73 0.00 0.00 68.15 70.20 1t6r h THR 41 CO 0.13 0.45 1.06 0.28 -0.25 0.00 0.00 175.52 177.18 1t6r s THR 42 N -2.35 2.63 0.02 6.82 -1.32 -0.05 -4.89 115.64 116.50 1t6r s THR 42 Ca -0.25 0.19 0.19 0.00 -1.21 0.00 0.00 61.69 60.60 1t6r s THR 42 Cb 0.04 -3.12 0.13 0.00 -1.51 0.00 0.00 72.50 68.04 1t6r s THR 42 CO 0.64 0.00 1.64 -1.28 -2.21 0.00 0.00 174.62 173.41 1t6r h SER 43 N 8.25 0.00 -3.18 8.08 0.87 -1.92 -3.43 113.55 122.22 1t6r h SER 43 Ca -0.45 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.53 1t6r h SER 43 Cb 1.21 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.10 1t6r h SER 43 CO 0.94 0.39 0.63 -0.54 -0.53 0.00 0.00 176.83 177.72 1t6r s LYS 44 N -3.35 4.23 0.00 2.24 -0.14 -1.26 -4.91 119.74 116.55 1t6r s LYS 44 Ca 0.02 1.17 0.15 0.00 -1.36 0.00 0.00 55.97 55.95 1t6r s LYS 44 Cb 0.09 -3.64 0.90 0.00 -1.68 0.00 0.00 37.83 33.50 1t6r s LYS 44 CO 0.70 -0.56 1.32 1.63 -0.76 0.00 0.00 175.35 177.68 1t6r n LYS 45 N 6.09 0.53 -3.78 1.68 5.02 -1.26 -4.36 118.16 122.08 1t6r n LYS 45 Ca 0.09 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 1t6r n LYS 45 Cb 0.47 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.92 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 2.22 -0.11 1.97 0.00 -1.26 -0.89 119.74 119.67 1t6r s LYS 46 Ca 0.23 -1.61 -0.18 0.00 0.00 0.00 0.00 55.97 54.40 1t6r s LYS 46 Cb 0.10 -3.52 -0.04 0.00 0.00 0.00 0.00 37.83 34.37 1t6r s LYS 46 CO 0.17 -0.93 0.48 0.42 0.00 0.00 0.00 175.35 175.49 1t6r s ILE 47 N 1.22 5.17 -0.33 3.79 1.09 -1.24 -0.83 121.20 130.07 1t6r s ILE 47 Ca 0.04 0.95 0.01 0.00 -1.10 0.00 0.00 60.65 60.55 1t6r s ILE 47 Cb -0.22 -3.81 0.10 0.00 -1.06 0.00 0.00 42.46 37.47 1t6r s ILE 47 CO -0.02 0.35 0.09 -0.69 -0.10 0.00 0.00 174.94 174.57 1t6r s VAL 48 N 0.47 1.30 -0.98 2.92 1.01 0.10 -1.38 120.40 123.84 1t6r s VAL 48 Ca 0.26 -1.74 -0.18 0.00 0.00 0.00 0.00 61.98 60.32 1t6r s VAL 48 Cb -0.15 -1.97 0.14 0.00 0.00 0.00 0.00 36.38 34.39 1t6r s VAL 48 CO 0.11 -0.67 1.18 -0.22 0.00 0.00 0.00 175.10 175.49 1t6r s LEU 49 N 1.33 5.07 -0.70 3.92 2.96 0.15 -1.13 118.68 130.28 1t6r s LEU 49 Ca 0.11 -2.22 -0.27 0.00 -0.22 0.00 0.00 54.13 51.53 1t6r s LEU 49 Cb -0.18 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.14 1t6r s LEU 49 CO -0.19 -1.00 1.31 -1.81 -1.32 0.00 0.00 176.35 173.34 1t6r s ASP 50 N 3.48 6.15 -0.00 3.68 1.11 -0.41 -0.77 116.67 129.89 1t6r s ASP 50 Ca 0.34 -0.29 0.02 0.00 0.18 0.00 0.00 52.55 52.80 1t6r s ASP 50 Cb -0.04 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.44 1t6r s ASP 50 CO -0.08 -1.82 1.00 0.18 1.18 0.00 0.00 175.17 175.63 1t6r n LEU 51 N 9.46 0.41 0.20 1.23 7.99 -0.71 -0.58 117.00 135.01 1t6r n LEU 51 Ca 0.05 -0.21 0.09 0.00 -0.01 0.00 0.00 56.01 55.93 1t6r n LEU 51 Cb 0.49 -0.09 0.48 0.00 -0.11 0.00 0.00 43.42 44.19 1t6r n LEU 51 CO 0.71 0.10 0.87 -1.28 -1.51 0.00 0.00 177.39 176.27 1t6r h SER 52 N 0.33 0.00 0.05 -1.43 0.87 -1.76 0.24 113.55 111.85 1t6r h SER 52 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 1t6r h SER 52 Cb 0.13 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 1t6r h SER 52 CO 0.00 0.00 -2.34 -1.20 -0.53 0.00 0.00 176.83 172.76 1t6r n SER 53 N -2.24 1.27 -4.53 6.23 7.64 -1.25 -4.94 113.62 115.80 1t6r n SER 53 Ca -0.01 -0.02 -0.47 0.00 1.01 0.00 0.00 58.87 59.38 1t6r n SER 53 Cb 0.29 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 1t6r n SER 53 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1t6r n VAL 54 N -3.10 0.29 -0.12 0.44 0.31 0.83 -4.83 118.33 112.14 1t6r n VAL 54 Ca -0.38 -0.35 -0.26 0.00 -0.01 0.00 0.00 64.34 63.33 1t6r n VAL 54 Cb 1.06 -2.12 -0.11 0.00 -0.91 0.00 0.00 33.84 31.76 1t6r n VAL 54 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1t6r n SER 55 N 10.61 1.95 -4.84 4.52 7.64 -1.26 -4.80 113.62 127.43 1t6r n SER 55 Ca 0.35 0.30 -0.34 0.00 1.01 0.00 0.00 58.87 60.18 1t6r n SER 55 Cb 0.34 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 62.67 1t6r n SER 55 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1t6r s TYR 56 N -2.48 3.53 -0.17 1.43 5.04 -1.26 -4.16 117.35 119.29 1t6r s TYR 56 Ca -0.35 1.19 -0.05 0.00 -2.44 0.00 0.00 57.07 55.42 1t6r s TYR 56 Cb 0.12 -2.49 0.08 0.00 0.35 0.00 0.00 41.96 40.02 1t6r s TYR 56 CO 0.54 0.28 0.31 1.41 -1.34 0.00 0.00 175.55 176.76 1t6r s MET 57 N -2.35 0.22 0.00 4.97 -2.45 -1.22 -1.01 119.30 117.45 1t6r s MET 57 Ca 0.45 0.75 0.00 0.00 -1.25 0.00 0.00 55.69 55.64 1t6r s MET 57 Cb -0.14 -0.10 0.00 0.00 1.25 0.00 0.00 34.83 35.84 1t6r s MET 57 CO 0.20 -0.35 0.00 -3.47 1.05 0.00 0.00 175.02 172.44 1t6r n ASP 58 N 5.36 0.00 0.00 1.11 -0.08 -0.83 -4.96 116.55 117.15 1t6r n ASP 58 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1t6r n ASP 58 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 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 -0.00 -1.67 0.00 -1.26 -3.88 120.51 110.70 1t6r n ALA 60 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1t6r n ALA 60 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.74 0.71 0.00 0.00 -1.87 -3.10 103.07 97.07 1t6r h GLY 61 Ca 0.00 0.76 0.07 0.00 0.00 0.00 0.00 47.33 48.16 1t6r h GLY 61 CO 0.00 -0.65 0.63 1.41 0.00 0.00 0.00 176.54 177.92 1t6r h LEU 62 N -0.02 1.00 -1.71 3.11 3.38 -1.97 0.17 115.31 119.26 1t6r h LEU 62 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1t6r h LEU 62 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1t6r h LEU 62 CO -0.02 0.62 0.00 1.23 0.09 0.00 0.00 178.44 180.36 1t6r h GLY 63 N 1.13 0.00 0.56 0.83 0.00 -1.90 -1.26 103.07 102.43 1t6r h GLY 63 Ca 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 1t6r h GLY 63 CO -0.18 0.00 -0.37 -0.84 0.00 0.00 0.00 176.54 175.14 1t6r h THR 64 N 0.00 1.51 -0.90 4.70 2.02 -0.88 -2.83 112.91 116.53 1t6r h THR 64 Ca 0.00 -2.01 0.07 0.00 0.77 0.00 0.00 66.41 65.24 1t6r h THR 64 Cb 0.08 2.73 -0.06 0.00 -1.74 0.00 0.00 68.15 69.17 1t6r h THR 64 CO 0.00 0.56 0.59 -0.07 0.37 0.00 0.00 175.52 176.97 1t6r h LEU 65 N -0.38 0.89 -1.17 2.58 4.07 -1.25 0.11 115.31 120.17 1t6r h LEU 65 Ca -0.05 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 1t6r h LEU 65 Cb 1.12 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 1t6r h LEU 65 CO 0.07 0.56 -0.14 0.58 -1.08 0.00 0.00 178.44 178.44 1t6r h VAL 66 N 1.01 1.22 0.35 1.22 2.07 -1.40 0.58 116.25 121.29 1t6r h VAL 66 Ca 0.39 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1t6r h VAL 66 Cb 0.23 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1t6r h VAL 66 CO -0.15 0.31 -0.17 0.58 0.02 0.00 0.00 177.57 178.16 1t6r h VAL 67 N 0.39 0.66 -0.90 2.57 2.07 -0.65 -3.20 116.25 117.18 1t6r h VAL 67 Ca 0.07 -0.41 0.16 0.00 0.82 0.00 0.00 66.70 67.34 1t6r h VAL 67 Cb 0.47 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 1t6r h VAL 67 CO 0.03 0.08 0.49 0.40 0.02 0.00 0.00 177.57 178.59 1t6r h ILE 68 N -0.70 0.73 0.40 4.57 1.08 -0.57 -2.26 117.51 120.76 1t6r h ILE 68 Ca -0.05 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1t6r h ILE 68 Cb 0.49 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1t6r h ILE 68 CO 0.08 0.12 -0.19 0.25 -0.69 0.00 0.00 178.15 177.72 1t6r h LEU 69 N 0.68 -0.46 -0.90 1.44 7.12 -0.96 -1.95 115.31 120.27 1t6r h LEU 69 Ca 0.50 -0.09 0.16 0.00 0.13 0.00 0.00 57.88 58.58 1t6r h LEU 69 Cb 0.72 0.12 -0.10 0.00 -0.53 0.00 0.00 40.66 40.87 1t6r h LEU 69 CO -0.37 -0.17 0.49 0.50 -0.13 0.00 0.00 178.44 178.76 1t6r h LYS 70 N -0.75 0.64 -0.73 1.25 3.64 -1.43 0.42 116.57 119.62 1t6r h LYS 70 Ca -0.06 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1t6r h LYS 70 Cb 0.52 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1t6r h LYS 70 CO 0.09 0.42 0.45 0.22 -2.27 0.00 0.00 179.45 178.36 1t6r h ASP 71 N 0.66 0.72 -0.07 4.20 3.58 -1.29 -1.16 116.42 123.07 1t6r h ASP 71 Ca 0.50 0.01 0.04 0.00 0.42 0.00 0.00 57.03 58.00 1t6r h ASP 71 Cb 0.74 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 1t6r h ASP 71 CO -0.38 0.49 -0.29 0.00 -2.88 0.00 0.00 179.24 176.18 1t6r h ALA 72 N 1.33 -0.36 -0.55 -0.78 0.00 -0.13 0.18 119.26 118.94 1t6r h ALA 72 Ca 0.30 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1t6r h ALA 72 Cb 0.07 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1t6r h ALA 72 CO -0.13 -0.78 0.13 0.87 0.00 0.00 0.00 179.25 179.33 1t6r h LYS 73 N -0.40 0.89 -0.56 0.00 1.79 -1.05 0.11 116.57 117.35 1t6r h LYS 73 Ca 0.08 -0.22 0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1t6r h LYS 73 Cb 0.52 -0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 30.99 1t6r h LYS 73 CO -0.30 0.84 0.16 0.82 -1.08 0.00 0.00 179.45 179.89 1t6r h ILE 74 N 0.79 0.74 0.00 1.86 2.04 -1.03 -0.27 117.51 121.64 1t6r h ILE 74 Ca 0.17 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1t6r h ILE 74 Cb 0.35 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1t6r h ILE 74 CO 0.00 0.06 0.00 0.59 0.00 0.00 0.00 178.15 178.80 1t6r n ASN 75 N -5.06 0.00 -2.82 1.72 3.02 0.03 -4.95 115.26 107.21 1t6r n ASN 75 Ca 0.07 0.31 -0.08 0.00 -0.03 0.00 0.00 54.58 54.85 1t6r n ASN 75 Cb 0.26 -0.43 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 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 1.24 -0.82 3.53 7.41 0.00 -0.06 -5.06 105.19 111.43 1t6r n GLY 76 Ca 0.09 0.38 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.74 1.72 0.50 1.61 -2.85 0.18 -4.98 119.74 112.19 1t6r s LYS 77 Ca 0.24 -1.52 0.05 0.00 -1.00 0.00 0.00 55.97 53.74 1t6r s LYS 77 Cb -0.03 0.45 0.03 0.00 -2.06 0.00 0.00 37.83 36.22 1t6r s LYS 77 CO 0.58 -0.71 0.69 -1.21 0.10 0.00 0.00 175.35 174.79 1t6r s GLU 78 N -3.49 2.63 -0.21 1.78 0.41 -0.07 -3.77 118.70 115.98 1t6r s GLU 78 Ca 0.27 -1.06 -0.05 0.00 -0.41 0.00 0.00 54.97 53.72 1t6r s GLU 78 Cb -0.00 -2.62 0.10 0.00 -1.78 0.00 0.00 34.13 29.83 1t6r s GLU 78 CO 0.14 -0.54 0.40 0.12 -0.49 0.00 0.00 175.26 174.90 1t6r s PHE 79 N -2.57 -0.79 0.09 1.61 5.36 -1.26 -3.64 117.98 116.77 1t6r s PHE 79 Ca 0.57 1.29 0.04 0.00 -0.96 0.00 0.00 56.93 57.86 1t6r s PHE 79 Cb -0.10 0.20 -0.03 0.00 -0.34 0.00 0.00 43.02 42.75 1t6r s PHE 79 CO 0.36 -0.55 -0.10 0.42 -1.46 0.00 0.00 175.22 173.89 1t6r s ILE 80 N 2.58 0.91 0.18 3.12 1.01 -0.48 -4.64 121.20 123.88 1t6r s ILE 80 Ca 0.03 -1.53 0.09 0.00 0.00 0.00 0.00 60.65 59.24 1t6r s ILE 80 Cb -0.13 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1t6r s ILE 80 CO -0.13 -0.50 -0.13 -0.76 0.00 0.00 0.00 174.94 173.42 1t6r s LEU 81 N -2.26 2.86 0.13 2.97 1.43 -1.24 -0.68 118.68 121.90 1t6r s LEU 81 Ca 0.03 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1t6r s LEU 81 Cb -0.05 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1t6r s LEU 81 CO 0.00 0.11 0.07 -0.55 0.23 0.00 0.00 176.35 176.22 1t6r s SER 82 N -2.75 0.30 -0.51 2.29 0.15 0.05 -0.62 113.70 112.60 1t6r s SER 82 Ca 0.24 -1.15 -0.00 0.00 0.70 0.00 0.00 55.95 55.74 1t6r s SER 82 Cb -0.09 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1t6r s SER 82 CO 0.14 -0.73 0.01 -1.20 1.20 0.00 0.00 173.24 172.66 1t6r n SER 83 N -0.09 -2.45 -4.51 5.45 7.64 -1.02 -1.73 113.62 116.91 1t6r n SER 83 Ca -0.07 -0.01 -0.44 0.00 1.01 0.00 0.00 58.87 59.37 1t6r n SER 83 Cb 0.63 -1.78 -0.06 0.00 -1.01 0.00 0.00 64.21 61.99 1t6r n SER 83 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1t6r n LEU 84 N -0.90 2.10 -4.77 -3.43 7.99 -1.26 -4.29 117.00 112.43 1t6r n LEU 84 Ca -0.07 0.07 -0.31 0.00 -0.01 0.00 0.00 56.01 55.68 1t6r n LEU 84 Cb 0.55 -1.36 0.08 0.00 -0.11 0.00 0.00 43.42 42.58 1t6r n LEU 84 CO 0.09 -0.98 0.71 -0.54 -1.51 0.00 0.00 177.39 175.16 1t6r s LYS 85 N 7.26 2.43 0.27 3.23 1.02 -1.26 -4.66 119.74 128.03 1t6r s LYS 85 Ca 1.09 1.19 -0.02 0.00 0.02 0.00 0.00 55.97 58.25 1t6r s LYS 85 Cb -0.63 -1.92 0.57 0.00 -0.52 0.00 0.00 37.83 35.34 1t6r s LYS 85 CO 0.40 -1.51 1.66 1.49 -0.92 0.00 0.00 175.35 176.46 1t6r h GLU 86 N -0.85 0.20 0.00 1.68 4.81 -1.96 0.31 114.58 118.78 1t6r h GLU 86 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1t6r h GLU 86 Cb 1.23 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1t6r h GLU 86 CO 0.52 0.13 0.00 0.45 -0.73 0.00 0.00 179.01 179.39 1t6r n SER 87 N -5.23 0.00 -0.11 1.04 2.88 -1.26 -3.17 113.62 107.77 1t6r n SER 87 Ca 0.17 0.74 -0.08 0.00 -1.33 0.00 0.00 58.87 58.37 1t6r n SER 87 Cb 0.56 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 1t6r n SER 87 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1t6r h ILE 88 N 0.00 0.22 -0.91 2.46 1.08 -1.65 -1.11 117.51 117.61 1t6r h ILE 88 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 1t6r h ILE 88 Cb 0.00 0.22 -0.11 0.00 -3.07 0.00 0.00 36.82 33.86 1t6r h ILE 88 CO 0.00 0.00 -0.54 -0.24 -0.69 0.00 0.00 178.15 176.68 1t6r n SER 89 N -5.42 -0.97 0.11 1.72 2.88 0.11 -0.74 113.62 111.32 1t6r n SER 89 Ca 0.00 1.67 -0.13 0.00 -1.33 0.00 0.00 58.87 59.08 1t6r n SER 89 Cb 0.34 -0.23 -0.06 0.00 -0.75 0.00 0.00 64.21 63.51 1t6r n SER 89 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1t6r h ARG 90 N 0.00 -0.47 -0.85 -1.46 3.08 -1.19 -2.13 114.38 111.36 1t6r h ARG 90 Ca 0.15 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.43 1t6r h ARG 90 Cb 0.37 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1t6r h ARG 90 CO -0.86 -0.32 0.58 0.82 -1.07 0.00 0.00 179.97 179.12 1t6r h ILE 91 N -0.49 0.67 -0.01 2.04 2.04 -0.04 0.31 117.51 122.02 1t6r h ILE 91 Ca 0.03 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1t6r h ILE 91 Cb 0.53 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1t6r h ILE 91 CO -0.17 0.05 -0.01 -0.07 0.00 0.00 0.00 178.15 177.95 1t6r h LEU 92 N 0.28 0.03 -2.14 1.44 -0.00 -0.44 -3.15 115.31 111.33 1t6r h LEU 92 Ca 0.43 -0.45 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1t6r h LEU 92 Cb 1.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1t6r h LEU 92 CO -0.12 0.48 -0.01 0.11 -0.00 0.00 0.00 178.44 178.90 1t6r h LYS 93 N -0.42 0.00 -0.05 1.13 6.56 -0.06 0.17 116.57 123.90 1t6r h LYS 93 Ca 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 1t6r h LYS 93 Cb 0.47 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.07 1t6r h LYS 93 CO 0.00 0.01 -0.29 -0.07 -2.06 0.00 0.00 179.45 177.04 1t6r h LEU 94 N 0.00 -0.89 -2.62 2.94 3.38 -0.51 -1.10 115.31 116.51 1t6r h LEU 94 Ca -0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1t6r h LEU 94 Cb 0.02 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1t6r h LEU 94 CO 0.00 -0.35 0.00 0.41 0.09 0.00 0.00 178.44 178.59 1t6r n THR 95 N -5.40 1.48 -2.33 0.22 -1.04 -1.21 -4.92 114.28 101.08 1t6r n THR 95 Ca -0.04 -0.96 -0.13 0.00 -2.04 0.00 0.00 64.05 60.88 1t6r n THR 95 Cb 0.31 0.07 -0.01 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.92 -1.27 0.28 -1.42 8.25 -0.42 -4.86 115.22 116.70 1t6r n HIS 96 Ca 0.21 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.84 1t6r n HIS 96 Cb 0.75 -2.84 0.73 0.00 1.12 0.00 0.00 29.99 29.75 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 0.00 0.00 -0.34 2.41 3.38 -1.22 -2.04 115.31 117.50 1t6r h LEU 97 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1t6r h LEU 97 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1t6r h LEU 97 CO 0.37 0.05 0.00 -0.90 0.09 0.00 0.00 178.44 178.06 1t6r n ASP 98 N -3.21 0.16 -0.02 -0.43 5.75 -1.22 -0.51 116.55 117.06 1t6r n ASP 98 Ca -0.00 0.56 0.02 0.00 -0.01 0.00 0.00 54.79 55.36 1t6r n ASP 98 Cb 0.29 -0.59 0.03 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 -1.70 2.40 -0.10 0.11 2.85 -0.77 -3.38 118.16 117.58 1t6r n LYS 99 Ca 0.00 -1.70 -0.18 0.00 -1.05 0.00 0.00 58.31 55.38 1t6r n LYS 99 Cb 0.05 -1.09 -0.07 0.00 -0.65 0.00 0.00 35.03 33.27 1t6r n LYS 99 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1t6r n ILE 100 N -0.69 1.06 -0.62 0.58 5.41 -0.57 -4.71 119.36 119.82 1t6r n ILE 100 Ca 0.04 -0.31 0.08 0.00 1.00 0.00 0.00 62.75 63.55 1t6r n ILE 100 Cb 0.36 -1.58 0.25 0.00 -0.71 0.00 0.00 39.64 37.96 1t6r n ILE 100 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1t6r n PHE 101 N -3.62 0.93 -2.85 1.39 3.72 0.33 -5.07 117.46 112.29 1t6r n PHE 101 Ca -0.36 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.36 1t6r n PHE 101 Cb 0.79 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 0.26 0.00 -3.46 -1.08 4.81 -1.22 -3.58 118.16 113.89 1t6r n LYS 102 Ca 0.19 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.52 1t6r n LYS 102 Cb 0.74 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.77 1t6r n LYS 102 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1t6r s ILE 103 N 0.00 0.00 -0.04 3.15 2.07 -1.22 -4.26 121.20 120.90 1t6r s ILE 103 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1t6r s ILE 103 Cb 0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.62 1t6r s ILE 103 CO 0.00 0.00 0.07 0.42 -1.91 0.00 0.00 174.94 173.52 1t6r s THR 104 N -3.38 -0.09 0.30 4.00 -4.23 0.21 -4.95 115.64 107.50 1t6r s THR 104 Ca 0.02 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.82 1t6r s THR 104 Cb -0.01 -0.14 0.20 0.00 1.34 0.00 0.00 72.50 73.89 1t6r s THR 104 CO -0.11 0.12 1.90 0.44 -0.54 0.00 0.00 174.62 176.43 1t6r h ASP 105 N 7.74 0.80 -5.54 3.99 3.32 -1.92 -2.70 116.42 122.11 1t6r h ASP 105 Ca -0.32 -0.09 -0.22 0.00 0.02 0.00 0.00 57.03 56.42 1t6r h ASP 105 Cb 1.12 -0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.32 1t6r h ASP 105 CO 0.34 0.69 -0.57 0.42 -1.72 0.00 0.00 179.24 178.41 1t6r s THR 106 N -5.48 0.01 0.61 0.35 -4.23 -1.26 -3.80 115.64 101.83 1t6r s THR 106 Ca -0.10 -1.93 0.33 0.00 -1.18 0.00 0.00 61.69 58.81 1t6r s THR 106 Cb 0.16 -2.43 0.37 0.00 1.34 0.00 0.00 72.50 71.95 1t6r s THR 106 CO 0.79 -0.04 2.24 1.62 -0.54 0.00 0.00 174.62 178.69 1t6r h VAL 107 N 2.60 0.38 -0.00 2.29 3.04 -2.00 -1.19 116.25 121.37 1t6r h VAL 107 Ca -0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1t6r h VAL 107 Cb 1.25 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1t6r h VAL 107 CO 0.52 0.00 -0.14 -0.62 -1.01 0.00 0.00 177.57 176.31 1t6r n GLU 108 N -3.64 0.22 0.00 4.17 1.02 -1.26 -2.40 120.64 118.76 1t6r n GLU 108 Ca -0.02 -0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 1t6r n GLU 108 Cb 0.14 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.36 1t6r n GLU 108 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1t6r n GLU 109 N -1.34 0.31 0.00 3.49 -0.58 -0.45 -5.10 120.64 116.96 1t6r n GLU 109 Ca 0.09 -0.18 0.10 0.00 -0.42 0.00 0.00 57.16 56.75 1t6r n GLU 109 Cb 0.31 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.77 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65