#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6r n ASN 2 N 0.00 -0.86 -0.80 6.12 5.15 -1.26 -5.14 115.26 118.47 1t6r n ASN 2 Ca 0.00 -2.69 0.06 0.00 -0.60 0.00 0.00 54.58 51.36 1t6r n ASN 2 Cb 0.00 1.75 -0.02 0.00 -0.53 0.00 0.00 39.78 40.98 1t6r n ASN 2 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1t6r n ASN 3 N -1.82 -4.75 -4.84 1.20 4.13 -1.26 -4.74 115.26 103.19 1t6r n ASN 3 Ca 0.03 0.51 -0.38 0.00 1.68 0.00 0.00 54.58 56.43 1t6r n ASN 3 Cb 0.49 -1.52 -0.06 0.00 -1.54 0.00 0.00 39.78 37.15 1t6r n ASN 3 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1t6r s LEU 4 N 0.00 4.47 0.30 3.41 0.20 -1.26 -4.68 118.68 121.12 1t6r s LEU 4 Ca 0.00 0.90 0.03 0.00 0.69 0.00 0.00 54.13 55.75 1t6r s LEU 4 Cb 0.00 -2.52 -0.04 0.00 -0.43 0.00 0.00 46.19 43.20 1t6r s LEU 4 CO 0.00 0.34 0.13 -0.54 -0.29 0.00 0.00 176.35 175.98 1t6r s LYS 5 N -1.07 1.58 -0.03 1.98 1.02 0.09 -5.01 119.74 118.31 1t6r s LYS 5 Ca 0.23 -1.89 -0.03 0.00 0.02 0.00 0.00 55.97 54.29 1t6r s LYS 5 Cb -0.16 -0.28 0.01 0.00 -0.52 0.00 0.00 37.83 36.88 1t6r s LYS 5 CO 0.12 -0.38 0.08 -0.51 -0.92 0.00 0.00 175.35 173.74 1t6r s LEU 6 N -3.39 1.70 -0.48 3.17 1.43 -1.26 -1.21 118.68 118.64 1t6r s LEU 6 Ca 0.35 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1t6r s LEU 6 Cb 0.06 0.31 0.15 0.00 0.03 0.00 0.00 46.19 46.75 1t6r s LEU 6 CO 0.16 -0.07 0.32 -1.81 0.23 0.00 0.00 176.35 175.17 1t6r s ASP 7 N -0.17 3.15 0.06 2.29 1.01 -0.23 -4.97 116.67 117.82 1t6r s ASP 7 Ca -0.02 -2.98 -0.30 0.00 0.71 0.00 0.00 52.55 49.95 1t6r s ASP 7 Cb -0.02 -0.92 -0.05 0.00 1.01 0.00 0.00 42.92 42.95 1t6r s ASP 7 CO 0.00 -0.20 1.10 -0.63 0.21 0.00 0.00 175.17 175.65 1t6r s ILE 8 N -0.05 4.31 -0.02 0.77 1.01 -1.26 -0.73 121.20 125.23 1t6r s ILE 8 Ca 0.24 1.72 0.01 0.00 0.00 0.00 0.00 60.65 62.61 1t6r s ILE 8 Cb -0.11 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1t6r s ILE 8 CO -0.09 0.17 -0.01 -0.69 0.00 0.00 0.00 174.94 174.32 1t6r s VAL 9 N 0.76 0.17 -0.32 2.92 1.01 0.21 -4.97 120.40 120.18 1t6r s VAL 9 Ca 0.54 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1t6r s VAL 9 Cb -0.26 -0.22 0.10 0.00 0.00 0.00 0.00 36.38 36.00 1t6r s VAL 9 CO 0.30 0.11 0.08 -1.61 0.00 0.00 0.00 175.10 173.97 1t6r s GLU 10 N 0.60 0.96 0.00 2.72 2.02 -1.26 -0.73 118.70 123.01 1t6r s GLU 10 Ca -0.06 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1t6r s GLU 10 Cb -0.09 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1t6r s GLU 10 CO -0.01 -0.96 0.00 0.94 0.02 0.00 0.00 175.26 175.25 1t6r n GLN 11 N 4.67 0.00 -2.04 1.61 -0.06 -1.23 -4.89 117.38 115.43 1t6r n GLN 11 Ca -0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 1t6r n GLN 11 Cb 0.42 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.54 1t6r n GLN 11 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1t6r s ASP 12 N 1.00 4.99 0.00 1.69 2.15 -1.26 -4.67 116.67 120.57 1t6r s ASP 12 Ca 0.00 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 51.68 1t6r s ASP 12 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1t6r s ASP 12 CO 0.00 -3.05 0.00 -0.67 -0.17 0.00 0.00 175.17 171.28 1t6r n ASP 13 N 14.53 0.00 -4.94 -0.34 -0.08 -1.26 -4.83 116.55 119.63 1t6r n ASP 13 Ca 0.43 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.47 1t6r n ASP 13 Cb 0.47 -0.08 0.05 0.00 2.34 0.00 0.00 41.12 43.89 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1t6r s LYS 14 N -0.02 2.52 -0.60 -0.67 1.02 -1.26 -4.59 119.74 116.14 1t6r s LYS 14 Ca 0.00 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.68 1t6r s LYS 14 Cb 0.00 -2.30 0.15 0.00 -0.52 0.00 0.00 37.83 35.16 1t6r s LYS 14 CO 0.00 -0.91 0.38 0.00 -0.92 0.00 0.00 175.35 173.90 1t6r s ALA 15 N -3.02 3.52 0.59 5.17 0.00 -0.51 -3.57 121.76 123.95 1t6r s ALA 15 Ca 0.57 -3.41 -0.17 0.00 0.00 0.00 0.00 51.96 48.95 1t6r s ALA 15 Cb -0.11 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1t6r s ALA 15 CO 0.43 -2.06 1.11 0.42 0.00 0.00 0.00 175.76 175.65 1t6r s ILE 16 N -0.50 3.33 -0.08 0.00 1.09 0.09 -0.71 121.20 124.41 1t6r s ILE 16 Ca 0.19 0.72 -0.00 0.00 -1.10 0.00 0.00 60.65 60.46 1t6r s ILE 16 Cb -0.20 -3.24 0.03 0.00 -1.06 0.00 0.00 42.46 37.98 1t6r s ILE 16 CO -0.04 -0.28 -0.04 -0.69 -0.10 0.00 0.00 174.94 173.79 1t6r s VAL 17 N -2.09 0.65 -0.77 2.92 1.01 -0.34 -0.62 120.40 121.17 1t6r s VAL 17 Ca 0.69 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 1t6r s VAL 17 Cb -0.21 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.47 1t6r s VAL 17 CO 0.33 0.29 1.29 -0.13 0.00 0.00 0.00 175.10 176.88 1t6r s ARG 18 N 1.64 3.24 0.14 2.72 0.52 0.09 0.16 118.95 127.47 1t6r s ARG 18 Ca 0.01 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 1t6r s ARG 18 Cb -0.13 -4.34 -0.07 0.00 0.52 0.00 0.00 34.95 30.93 1t6r s ARG 18 CO -0.05 -2.14 1.03 0.08 0.02 0.00 0.00 175.30 174.24 1t6r s VAL 19 N 5.55 4.20 -0.41 3.52 1.01 -0.31 -1.07 120.40 132.88 1t6r s VAL 19 Ca 0.36 1.85 0.02 0.00 0.00 0.00 0.00 61.98 64.21 1t6r s VAL 19 Cb -0.07 -4.18 0.15 0.00 0.00 0.00 0.00 36.38 32.27 1t6r s VAL 19 CO 0.11 0.30 0.27 -1.10 0.00 0.00 0.00 175.10 174.68 1t6r s GLN 20 N -0.16 0.98 0.00 2.72 -0.21 -0.35 -3.90 119.66 118.74 1t6r s GLN 20 Ca 0.48 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 54.02 1t6r s GLN 20 Cb -0.26 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 31.97 1t6r s GLN 20 CO 0.32 -1.24 0.00 0.41 -2.12 0.00 0.00 175.29 172.66 1t6r n GLY 21 N 3.49 -0.16 3.33 3.09 0.00 -1.26 -0.73 105.19 112.95 1t6r n GLY 21 Ca 0.15 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 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 4.23 0.90 1.61 1.11 -1.26 -3.67 116.67 119.58 1t6r s ASP 22 Ca 0.00 -0.37 -0.11 0.00 0.18 0.00 0.00 52.55 52.25 1t6r s ASP 22 Cb 0.00 -1.71 0.13 0.00 1.07 0.00 0.00 42.92 42.41 1t6r s ASP 22 CO 0.00 0.03 1.09 -0.63 1.18 0.00 0.00 175.17 176.84 1t6r s ILE 23 N 1.16 2.67 0.00 0.77 1.01 -0.83 -4.82 121.20 121.16 1t6r s ILE 23 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1t6r s ILE 23 Cb -0.14 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1t6r s ILE 23 CO -0.02 -0.28 0.00 -0.90 0.00 0.00 0.00 174.94 173.74 1t6r n ASP 24 N -3.93 0.00 0.20 3.58 5.68 -1.26 -4.32 116.55 116.50 1t6r n ASP 24 Ca 0.07 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.47 1t6r n ASP 24 Cb 0.55 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.11 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1t6r h ALA 25 N 0.00 1.12 -0.00 2.12 0.00 -1.98 0.56 119.26 121.08 1t6r h ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1t6r h ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1t6r h ALA 25 CO 0.00 -0.12 -0.26 0.66 0.00 0.00 0.00 179.25 179.53 1t6r n TYR 26 N -2.33 0.00 0.00 0.00 4.01 -1.26 -4.37 117.16 113.21 1t6r n TYR 26 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1t6r n TYR 26 Cb 0.20 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 -0.95 0.67 0.04 7.72 3.02 0.49 -4.76 115.26 121.50 1t6r n ASN 27 Ca 0.11 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.71 1t6r n ASN 27 Cb 0.33 0.05 0.46 0.00 -0.61 0.00 0.00 39.78 40.01 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 0.39 -0.01 6.41 4.64 -0.26 0.23 113.55 124.94 1t6r h SER 28 Ca 0.00 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1t6r h SER 28 Cb 0.14 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.08 1t6r h SER 28 CO 0.00 0.28 -0.44 -1.28 -0.87 0.00 0.00 176.83 174.53 1t6r h SER 29 N 0.46 -1.34 0.13 4.97 0.87 -1.76 -0.28 113.55 116.60 1t6r h SER 29 Ca 0.13 0.16 -0.25 0.00 -1.23 0.00 0.00 61.79 60.60 1t6r h SER 29 Cb -0.05 0.52 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1t6r h SER 29 CO -0.03 -0.47 -1.24 -0.33 -0.53 0.00 0.00 176.83 174.23 1t6r h GLU 30 N -0.58 0.27 -0.60 2.24 5.08 -1.64 -3.12 114.58 116.22 1t6r h GLU 30 Ca 0.05 -0.46 0.17 0.00 -1.00 0.00 0.00 59.36 58.12 1t6r h GLU 30 Cb 0.66 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1t6r h GLU 30 CO -0.33 1.22 0.45 1.25 -1.00 0.00 0.00 179.01 180.60 1t6r h LEU 31 N -0.31 0.00 0.77 1.33 6.46 -0.68 -0.47 115.31 122.41 1t6r h LEU 31 Ca -0.26 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.47 1t6r h LEU 31 Cb 1.74 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.68 1t6r h LEU 31 CO 0.09 0.00 -0.37 0.50 -0.62 0.00 0.00 178.44 178.04 1t6r h LYS 32 N 0.00 -1.00 0.00 1.25 3.64 -1.00 -2.67 116.57 116.78 1t6r h LYS 32 Ca 0.28 0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 1t6r h LYS 32 Cb 1.19 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1t6r h LYS 32 CO -0.00 -0.67 -0.39 1.05 -2.27 0.00 0.00 179.45 177.17 1t6r h GLU 33 N -1.22 0.00 -0.02 1.90 4.11 -1.22 0.44 114.58 118.57 1t6r h GLU 33 Ca -0.11 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.07 1t6r h GLU 33 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1t6r h GLU 33 CO 0.17 0.39 -0.99 1.96 0.07 0.00 0.00 179.01 180.62 1t6r h GLN 34 N 0.00 0.62 -0.65 1.06 4.20 -1.25 -1.32 115.11 117.77 1t6r h GLN 34 Ca -0.00 -0.65 -0.07 0.00 0.06 0.00 0.00 58.65 57.99 1t6r h GLN 34 Cb 0.98 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 1t6r h GLN 34 CO 0.05 1.25 0.13 -0.07 -0.67 0.00 0.00 178.83 179.52 1t6r h LEU 35 N 0.36 1.01 -0.38 1.46 -0.00 -1.09 0.13 115.31 116.80 1t6r h LEU 35 Ca -0.11 -0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1t6r h LEU 35 Cb 1.63 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 42.00 1t6r h LEU 35 CO 0.19 1.00 0.20 0.03 -0.00 0.00 0.00 178.44 179.85 1t6r h ARG 36 N 0.98 0.55 -0.27 1.13 3.08 -0.85 -2.02 114.38 116.98 1t6r h ARG 36 Ca 0.20 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1t6r h ARG 36 Cb 0.40 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1t6r h ARG 36 CO 0.01 0.47 0.13 -0.97 -1.07 0.00 0.00 179.97 178.53 1t6r h ASN 37 N 0.49 0.18 -0.75 7.04 -0.73 -0.98 -2.73 115.58 118.10 1t6r h ASN 37 Ca 0.13 0.02 0.16 0.00 1.87 0.00 0.00 56.30 58.48 1t6r h ASN 37 Cb 0.09 -0.02 -0.11 0.00 0.27 0.00 0.00 38.32 38.56 1t6r h ASN 37 CO -0.02 0.14 0.23 0.15 -0.37 0.00 0.00 177.43 177.56 1t6r h PHE 38 N 0.27 0.38 -0.23 0.67 3.57 -0.57 0.14 116.94 121.17 1t6r h PHE 38 Ca 0.11 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1t6r h PHE 38 Cb 0.04 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1t6r h PHE 38 CO -0.10 -0.03 -0.10 0.82 -2.23 0.00 0.00 178.31 176.66 1t6r h ILE 39 N 0.33 1.20 0.00 1.41 1.08 -1.06 0.86 117.51 121.33 1t6r h ILE 39 Ca 0.42 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1t6r h ILE 39 Cb 0.70 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1t6r h ILE 39 CO -0.47 0.28 -0.04 -1.20 -0.69 0.00 0.00 178.15 176.02 1t6r n SER 40 N -4.25 0.09 -0.10 1.72 7.64 0.34 -3.73 113.62 115.33 1t6r n SER 40 Ca 0.00 0.44 -0.21 0.00 1.01 0.00 0.00 58.87 60.11 1t6r n SER 40 Cb 0.28 -0.45 -0.12 0.00 -1.01 0.00 0.00 64.21 62.91 1t6r n SER 40 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1t6r h THR 41 N 0.00 0.99 -1.85 0.44 1.35 -0.09 -3.48 112.91 110.28 1t6r h THR 41 Ca 0.00 -2.20 -0.51 0.00 -0.55 0.00 0.00 66.41 63.16 1t6r h THR 41 Cb 0.52 2.34 -0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1t6r h THR 41 CO 0.00 0.35 1.53 0.28 -0.25 0.00 0.00 175.52 177.43 1t6r s THR 42 N -2.35 3.10 -1.56 6.82 -1.32 0.19 -4.85 115.64 115.67 1t6r s THR 42 Ca -0.28 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1t6r s THR 42 Cb 0.05 -3.20 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1t6r s THR 42 CO 0.60 -0.18 0.43 -1.20 -2.21 0.00 0.00 174.62 172.07 1t6r n SER 43 N 13.98 0.24 -4.85 8.08 7.64 -1.26 -4.81 113.62 132.64 1t6r n SER 43 Ca 0.31 -1.10 -0.26 0.00 1.01 0.00 0.00 58.87 58.83 1t6r n SER 43 Cb 0.51 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 1t6r n SER 43 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1t6r s LYS 44 N -1.56 3.07 0.00 1.43 -0.14 -1.26 -5.03 119.74 116.25 1t6r s LYS 44 Ca 0.00 -0.80 0.21 0.00 -1.36 0.00 0.00 55.97 54.02 1t6r s LYS 44 Cb 0.00 -2.74 0.80 0.00 -1.68 0.00 0.00 37.83 34.21 1t6r s LYS 44 CO 0.00 0.49 1.57 1.63 -0.76 0.00 0.00 175.35 178.28 1t6r n LYS 45 N -0.47 1.68 -3.69 1.68 4.01 -1.26 -4.86 118.16 115.24 1t6r n LYS 45 Ca -0.08 -1.01 -0.16 0.00 -0.51 0.00 0.00 58.31 56.55 1t6r n LYS 45 Cb 0.55 -1.39 -0.15 0.00 -0.51 0.00 0.00 35.03 33.52 1t6r n LYS 45 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1t6r s LYS 46 N -1.82 0.05 -0.07 1.97 0.00 -1.26 -0.18 119.74 118.44 1t6r s LYS 46 Ca 0.32 0.50 -0.05 0.00 0.00 0.00 0.00 55.97 56.74 1t6r s LYS 46 Cb 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 37.83 37.72 1t6r s LYS 46 CO 0.26 -0.26 0.16 0.42 0.00 0.00 0.00 175.35 175.94 1t6r s ILE 47 N 1.92 5.47 -0.42 3.79 1.09 -1.11 -1.42 121.20 130.53 1t6r s ILE 47 Ca -0.01 0.03 0.02 0.00 -1.10 0.00 0.00 60.65 59.59 1t6r s ILE 47 Cb -0.12 -3.47 0.12 0.00 -1.06 0.00 0.00 42.46 37.93 1t6r s ILE 47 CO -0.06 0.48 0.18 -0.69 -0.10 0.00 0.00 174.94 174.75 1t6r s VAL 48 N -1.17 1.74 -0.74 2.92 1.01 0.11 -2.09 120.40 122.18 1t6r s VAL 48 Ca 0.21 -2.49 -0.27 0.00 0.00 0.00 0.00 61.98 59.44 1t6r s VAL 48 Cb -0.12 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.04 1t6r s VAL 48 CO 0.11 -0.78 1.30 -0.22 0.00 0.00 0.00 175.10 175.51 1t6r s LEU 49 N 0.53 3.17 -0.45 3.92 2.96 -0.10 -1.20 118.68 127.51 1t6r s LEU 49 Ca 0.15 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.37 1t6r s LEU 49 Cb -0.23 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 43.93 1t6r s LEU 49 CO -0.06 -1.85 0.85 -0.62 -1.32 0.00 0.00 176.35 173.35 1t6r s ASP 50 N 3.86 6.46 0.00 3.68 2.15 0.12 -0.41 116.67 132.54 1t6r s ASP 50 Ca 0.36 0.01 0.19 0.00 0.43 0.00 0.00 52.55 53.54 1t6r s ASP 50 Cb -0.08 -2.41 0.46 0.00 -0.30 0.00 0.00 42.92 40.58 1t6r s ASP 50 CO 0.15 -0.97 1.38 0.18 -0.17 0.00 0.00 175.17 175.74 1t6r n LEU 51 N 6.90 3.41 0.20 -1.34 4.77 -0.22 -1.16 117.00 129.55 1t6r n LEU 51 Ca 0.04 -1.80 0.14 0.00 -0.03 0.00 0.00 56.01 54.36 1t6r n LEU 51 Cb 0.48 -0.32 0.68 0.00 -2.33 0.00 0.00 43.42 41.94 1t6r n LEU 51 CO 0.61 0.81 0.91 -1.28 -1.33 0.00 0.00 177.39 177.11 1t6r h SER 52 N 3.57 0.00 1.86 -1.43 0.87 -1.57 0.81 113.55 117.67 1t6r h SER 52 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1t6r h SER 52 Cb 0.88 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1t6r h SER 52 CO 0.00 0.00 -0.14 -1.28 -0.53 0.00 0.00 176.83 174.88 1t6r h SER 53 N 0.00 0.00 -3.73 6.23 0.87 -1.83 -3.46 113.55 111.63 1t6r h SER 53 Ca 0.00 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 1t6r h SER 53 Cb 0.14 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 61.94 1t6r h SER 53 CO 0.00 0.08 -0.51 -0.69 -0.53 0.00 0.00 176.83 175.19 1t6r s VAL 54 N -3.18 5.33 -0.09 2.23 1.01 0.28 -4.44 120.40 121.54 1t6r s VAL 54 Ca 0.06 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1t6r s VAL 54 Cb 0.06 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1t6r s VAL 54 CO 0.69 0.30 -0.09 -1.20 0.00 0.00 0.00 175.10 174.80 1t6r n SER 55 N 4.65 2.69 -4.86 3.32 7.64 -1.26 -4.46 113.62 121.34 1t6r n SER 55 Ca -0.14 -0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.36 1t6r n SER 55 Cb 0.52 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 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 -2.18 3.56 -0.21 1.43 5.04 -1.26 -3.72 117.35 120.01 1t6r s TYR 56 Ca -0.12 0.48 -0.11 0.00 -2.44 0.00 0.00 57.07 54.88 1t6r s TYR 56 Cb 0.04 -1.92 0.07 0.00 0.35 0.00 0.00 41.96 40.50 1t6r s TYR 56 CO 0.20 0.71 0.50 1.41 -1.34 0.00 0.00 175.55 177.03 1t6r s MET 57 N -1.10 0.49 0.00 4.97 -2.45 -1.26 -1.96 119.30 117.99 1t6r s MET 57 Ca 0.16 0.96 0.00 0.00 -1.25 0.00 0.00 55.69 55.56 1t6r s MET 57 Cb -0.12 0.08 0.00 0.00 1.25 0.00 0.00 34.83 36.04 1t6r s MET 57 CO 0.05 -0.16 0.00 -3.47 1.05 0.00 0.00 175.02 172.49 1t6r n ASP 58 N 4.41 0.00 0.00 1.11 -0.08 -1.26 -4.94 116.55 115.78 1t6r n ASP 58 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 1t6r n ASP 58 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 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 -0.29 -1.67 0.00 -1.26 -1.46 120.51 112.82 1t6r n ALA 60 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1t6r n ALA 60 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 1.16 0.81 0.00 0.00 -1.90 -1.67 103.07 101.46 1t6r h GLY 61 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1t6r h GLY 61 CO 0.00 0.38 -0.38 1.41 0.00 0.00 0.00 176.54 177.95 1t6r h LEU 62 N 1.05 -0.90 -1.79 3.11 3.38 -1.62 -3.12 115.31 115.42 1t6r h LEU 62 Ca 0.31 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1t6r h LEU 62 Cb -0.06 0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1t6r h LEU 62 CO -0.09 -0.54 0.00 1.23 0.09 0.00 0.00 178.44 179.13 1t6r h GLY 63 N -1.27 0.00 0.76 0.83 0.00 -1.85 -0.16 103.07 101.39 1t6r h GLY 63 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1t6r h GLY 63 CO 0.18 0.00 -0.14 -0.84 0.00 0.00 0.00 176.54 175.74 1t6r h THR 64 N 0.00 0.68 -0.11 4.70 2.02 -1.23 -2.63 112.91 116.34 1t6r h THR 64 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1t6r h THR 64 Cb 0.14 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1t6r h THR 64 CO 0.00 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.86 1t6r h LEU 65 N -0.27 0.13 -0.28 2.58 3.38 -1.06 -0.07 115.31 119.73 1t6r h LEU 65 Ca 0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1t6r h LEU 65 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1t6r h LEU 65 CO -0.08 0.13 -0.35 0.58 0.09 0.00 0.00 178.44 178.81 1t6r h VAL 66 N 0.15 0.65 -0.14 1.22 2.07 -1.55 0.04 116.25 118.69 1t6r h VAL 66 Ca 0.04 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1t6r h VAL 66 Cb 0.04 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1t6r h VAL 66 CO -0.00 0.35 -0.06 0.58 0.02 0.00 0.00 177.57 178.45 1t6r h VAL 67 N 0.00 1.31 -0.23 2.57 2.07 -0.69 -3.02 116.25 118.26 1t6r h VAL 67 Ca -0.00 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 1t6r h VAL 67 Cb 1.16 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1t6r h VAL 67 CO 0.05 0.31 -0.19 0.40 0.02 0.00 0.00 177.57 178.15 1t6r h ILE 68 N -0.03 1.24 -0.11 4.57 1.08 -0.66 -0.46 117.51 123.13 1t6r h ILE 68 Ca 0.03 -1.10 0.04 0.00 -0.39 0.00 0.00 64.86 63.45 1t6r h ILE 68 Cb 0.51 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1t6r h ILE 68 CO 0.02 0.35 -0.16 0.25 -0.69 0.00 0.00 178.15 177.92 1t6r h LEU 69 N 0.37 -0.48 -0.73 1.44 5.85 -1.08 -1.49 115.31 119.18 1t6r h LEU 69 Ca 0.06 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1t6r h LEU 69 Cb 0.55 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 1t6r h LEU 69 CO 0.04 -0.21 0.27 0.50 -0.34 0.00 0.00 178.44 178.70 1t6r h LYS 70 N -0.20 0.39 -0.42 1.25 3.64 -0.97 0.18 116.57 120.43 1t6r h LYS 70 Ca 0.09 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 1t6r h LYS 70 Cb 0.33 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1t6r h LYS 70 CO -0.23 0.26 -0.16 -0.44 -2.27 0.00 0.00 179.45 176.60 1t6r h ASP 71 N 0.40 0.80 -0.70 4.20 3.32 -1.11 -1.56 116.42 121.78 1t6r h ASP 71 Ca 0.40 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.24 1t6r h ASP 71 Cb 0.62 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1t6r h ASP 71 CO -0.41 0.97 0.41 0.00 -1.72 0.00 0.00 179.24 178.48 1t6r h ALA 72 N 1.10 0.93 -0.03 3.45 0.00 0.07 0.55 119.26 125.34 1t6r h ALA 72 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1t6r h ALA 72 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1t6r h ALA 72 CO 0.05 0.12 -0.74 0.87 0.00 0.00 0.00 179.25 179.55 1t6r h LYS 73 N 0.77 0.18 0.71 0.00 1.79 -0.91 0.28 116.57 119.39 1t6r h LYS 73 Ca 0.30 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1t6r h LYS 73 Cb 0.13 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1t6r h LYS 73 CO -0.16 0.84 -0.50 0.82 -1.08 0.00 0.00 179.45 179.37 1t6r h ILE 74 N 0.12 0.01 0.00 1.86 2.04 -0.99 -3.06 117.51 117.49 1t6r h ILE 74 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1t6r h ILE 74 Cb 1.30 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1t6r h ILE 74 CO 0.11 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.85 1t6r n ASN 75 N -5.61 0.00 -2.50 1.72 3.02 0.16 -4.90 115.26 107.15 1t6r n ASN 75 Ca -0.14 -1.30 -0.08 0.00 -0.03 0.00 0.00 54.58 53.03 1t6r n ASN 75 Cb 0.49 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.70 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 0.74 -0.30 3.30 7.41 0.00 0.66 -5.01 105.19 111.98 1t6r n GLY 76 Ca 0.15 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.76 1.25 0.59 1.61 -2.85 0.61 -4.88 119.74 112.31 1t6r s LYS 77 Ca 0.25 -1.49 -0.07 0.00 -1.00 0.00 0.00 55.97 53.66 1t6r s LYS 77 Cb -0.03 0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 1t6r s LYS 77 CO 0.42 -0.44 0.93 -1.21 0.10 0.00 0.00 175.35 175.15 1t6r s GLU 78 N -4.10 3.11 -0.14 1.78 8.01 0.75 -4.34 118.70 123.77 1t6r s GLU 78 Ca 0.32 0.20 -0.07 0.00 0.01 0.00 0.00 54.97 55.44 1t6r s GLU 78 Cb 0.05 -2.23 0.06 0.00 -4.31 0.00 0.00 34.13 27.70 1t6r s GLU 78 CO 0.09 -0.64 0.33 0.12 0.01 0.00 0.00 175.26 175.17 1t6r s PHE 79 N -3.03 -0.51 -0.07 1.61 5.36 -1.26 -2.74 117.98 117.34 1t6r s PHE 79 Ca 0.53 1.10 -0.19 0.00 -0.96 0.00 0.00 56.93 57.41 1t6r s PHE 79 Cb -0.11 0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.75 1t6r s PHE 79 CO 0.47 -0.33 0.44 0.42 -1.46 0.00 0.00 175.22 174.76 1t6r s ILE 80 N 1.80 0.03 0.37 3.12 1.01 -0.89 -4.52 121.20 122.12 1t6r s ILE 80 Ca -0.06 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.46 1t6r s ILE 80 Cb -0.10 -0.71 -0.07 0.00 0.01 0.00 0.00 42.46 41.59 1t6r s ILE 80 CO -0.10 -0.12 -0.04 -0.76 0.00 0.00 0.00 174.94 173.91 1t6r s LEU 81 N -0.80 2.81 0.18 2.97 2.01 -1.26 -0.92 118.68 123.67 1t6r s LEU 81 Ca -0.09 -1.26 -0.08 0.00 0.01 0.00 0.00 54.13 52.72 1t6r s LEU 81 Cb -0.03 -0.98 -0.01 0.00 0.01 0.00 0.00 46.19 45.17 1t6r s LEU 81 CO 0.04 -0.31 0.28 -0.44 1.01 0.00 0.00 176.35 176.93 1t6r s SER 82 N -3.66 0.05 -1.36 2.29 0.01 0.45 -0.21 113.70 111.27 1t6r s SER 82 Ca 0.34 -0.98 -0.07 0.00 1.31 0.00 0.00 55.95 56.55 1t6r s SER 82 Cb 0.05 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.76 1t6r s SER 82 CO 0.17 -0.92 1.03 -1.20 0.41 0.00 0.00 173.24 172.73 1t6r n SER 83 N -0.24 -4.36 -4.49 2.44 7.64 -1.03 -1.05 113.62 112.52 1t6r n SER 83 Ca -0.05 -0.66 -0.48 0.00 1.01 0.00 0.00 58.87 58.70 1t6r n SER 83 Cb 0.63 -4.62 -0.06 0.00 -1.01 0.00 0.00 64.21 59.15 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 -4.65 2.40 -4.55 -3.43 4.77 -1.26 -1.77 117.00 108.51 1t6r n LEU 84 Ca -0.09 0.31 -0.35 0.00 -0.03 0.00 0.00 56.01 55.85 1t6r n LEU 84 Cb 0.59 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 1t6r n LEU 84 CO 0.67 -0.76 1.54 -0.54 -1.33 0.00 0.00 177.39 176.97 1t6r s LYS 85 N 6.41 2.57 0.00 3.23 -0.14 -1.26 -4.72 119.74 125.83 1t6r s LYS 85 Ca 1.07 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 56.05 1t6r s LYS 85 Cb -0.69 -4.60 0.00 0.00 -1.68 0.00 0.00 37.83 30.86 1t6r s LYS 85 CO 0.44 -2.97 0.00 0.39 -0.76 0.00 0.00 175.35 172.46 1t6r n GLU 86 N 9.08 0.00 -0.14 1.68 1.02 -1.26 0.09 120.64 131.11 1t6r n GLU 86 Ca 0.27 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.36 1t6r n GLU 86 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.89 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 -0.84 0.32 1.62 0.87 -1.92 0.18 113.55 113.78 1t6r h SER 87 Ca 0.00 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1t6r h SER 87 Cb 0.00 0.37 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1t6r h SER 87 CO 0.00 -0.11 -0.49 0.40 -0.53 0.00 0.00 176.83 176.11 1t6r h ILE 88 N -0.03 0.00 -0.62 2.23 1.08 -0.43 -1.86 117.51 117.88 1t6r h ILE 88 Ca 0.06 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.60 1t6r h ILE 88 Cb 0.18 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.84 1t6r h ILE 88 CO -0.34 0.00 -0.30 -0.24 -0.69 0.00 0.00 178.15 176.58 1t6r n SER 89 N -5.32 -0.52 -0.09 1.72 2.88 -0.85 -0.10 113.62 111.34 1t6r n SER 89 Ca -0.10 1.09 -0.10 0.00 -1.33 0.00 0.00 58.87 58.43 1t6r n SER 89 Cb 0.42 -0.20 -0.02 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.43 -0.56 -1.46 3.08 -0.69 -2.50 114.38 112.67 1t6r h ARG 90 Ca 0.16 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1t6r h ARG 90 Cb 0.32 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1t6r h ARG 90 CO -0.60 0.40 0.37 0.82 -1.07 0.00 0.00 179.97 179.89 1t6r h ILE 91 N 0.35 1.15 -0.08 2.04 2.04 0.34 0.22 117.51 123.57 1t6r h ILE 91 Ca 0.10 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1t6r h ILE 91 Cb 0.11 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1t6r h ILE 91 CO -0.01 0.14 -0.01 -0.07 0.00 0.00 0.00 178.15 178.20 1t6r h LEU 92 N 0.76 0.14 -1.70 1.44 -0.00 -1.14 -2.87 115.31 111.94 1t6r h LEU 92 Ca 0.21 -0.33 0.10 0.00 -0.00 0.00 0.00 57.88 57.85 1t6r h LEU 92 Cb -0.09 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.50 1t6r h LEU 92 CO -0.04 0.44 0.38 0.11 -0.00 0.00 0.00 178.44 179.32 1t6r h LYS 93 N -0.16 0.33 0.23 1.13 6.56 -0.89 0.62 116.57 124.40 1t6r h LYS 93 Ca 0.02 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1t6r h LYS 93 Cb 0.37 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.91 1t6r h LYS 93 CO 0.01 0.22 -0.48 -0.07 -2.06 0.00 0.00 179.45 177.07 1t6r h LEU 94 N 0.34 -1.40 -0.70 2.94 4.07 -0.35 -0.65 115.31 119.56 1t6r h LEU 94 Ca 0.26 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1t6r h LEU 94 Cb 0.56 0.50 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1t6r h LEU 94 CO -0.06 -0.56 0.00 0.41 -1.08 0.00 0.00 178.44 177.14 1t6r n THR 95 N -5.50 0.22 -1.50 0.22 -1.04 -1.21 -4.86 114.28 100.61 1t6r n THR 95 Ca -0.09 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.05 61.64 1t6r n THR 95 Cb 0.41 -0.10 -0.05 0.00 -1.82 0.00 0.00 70.33 68.78 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 -0.10 -0.56 0.24 -1.42 8.25 -0.25 -4.83 115.22 116.54 1t6r n HIS 96 Ca 0.04 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1t6r n HIS 96 Cb 0.18 -2.48 0.61 0.00 1.12 0.00 0.00 29.99 29.43 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 -1.52 2.41 3.38 -1.11 0.93 115.31 119.40 1t6r h LEU 97 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1t6r h LEU 97 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1t6r h LEU 97 CO 0.36 0.17 0.33 0.44 0.09 0.00 0.00 178.44 179.83 1t6r h ASP 98 N 0.00 0.00 0.00 -0.43 5.19 -1.71 -0.05 116.42 119.42 1t6r h ASP 98 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1t6r h ASP 98 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1t6r h ASP 98 CO 0.02 0.00 -1.10 0.29 -3.12 0.00 0.00 179.24 175.33 1t6r n LYS 99 N -2.55 1.58 -0.11 3.56 5.02 0.31 -3.26 118.16 122.71 1t6r n LYS 99 Ca -0.02 -0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 55.99 1t6r n LYS 99 Cb 0.36 -1.22 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 1t6r n LYS 99 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1t6r n ILE 100 N -1.63 1.53 0.68 -0.18 5.41 -0.26 -4.23 119.36 120.69 1t6r n ILE 100 Ca 0.00 -0.06 0.11 0.00 1.00 0.00 0.00 62.75 63.80 1t6r n ILE 100 Cb 0.28 -2.03 0.27 0.00 -0.71 0.00 0.00 39.64 37.45 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 -4.41 0.40 -2.34 1.39 3.72 -0.19 -5.04 117.46 110.98 1t6r n PHE 101 Ca -0.34 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 1t6r n PHE 101 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 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 1.01 0.00 -3.52 -1.08 4.81 -1.24 -3.69 118.16 114.46 1t6r n LYS 102 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.54 1t6r n LYS 102 Cb 0.49 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.52 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 0.01 3.15 2.07 -1.20 -4.28 121.20 120.94 1t6r s ILE 103 Ca 0.00 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 1t6r s ILE 103 Cb 0.00 -1.01 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 1t6r s ILE 103 CO 0.00 0.00 -0.11 0.42 -1.91 0.00 0.00 174.94 173.34 1t6r s THR 104 N -3.04 0.84 0.33 4.00 -4.23 0.71 -4.93 115.64 109.31 1t6r s THR 104 Ca 0.06 -0.59 0.10 0.00 -1.18 0.00 0.00 61.69 60.07 1t6r s THR 104 Cb -0.01 -0.73 0.06 0.00 1.34 0.00 0.00 72.50 73.16 1t6r s THR 104 CO -0.08 0.13 1.75 0.44 -0.54 0.00 0.00 174.62 176.32 1t6r h ASP 105 N 5.60 0.12 -5.12 3.99 5.19 -1.95 -2.73 116.42 121.51 1t6r h ASP 105 Ca -0.33 -0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 55.91 1t6r h ASP 105 Cb 1.18 -0.03 -0.17 0.00 0.18 0.00 0.00 39.33 40.49 1t6r h ASP 105 CO 0.48 0.52 -0.55 0.42 -3.12 0.00 0.00 179.24 176.99 1t6r s THR 106 N -4.12 0.15 0.52 0.35 -4.23 -1.26 -3.40 115.64 103.66 1t6r s THR 106 Ca -0.03 -1.24 0.39 0.00 -1.18 0.00 0.00 61.69 59.62 1t6r s THR 106 Cb 0.14 -1.04 0.41 0.00 1.34 0.00 0.00 72.50 73.34 1t6r s THR 106 CO 0.75 -0.69 2.25 1.62 -0.54 0.00 0.00 174.62 178.01 1t6r h VAL 107 N 3.50 0.14 0.00 2.29 3.04 -1.97 0.51 116.25 123.76 1t6r h VAL 107 Ca -0.33 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1t6r h VAL 107 Cb 1.18 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1t6r h VAL 107 CO 0.54 0.02 0.00 -0.33 -1.01 0.00 0.00 177.57 176.78 1t6r h GLU 108 N 0.00 0.00 -0.01 4.17 4.39 -2.00 -1.99 114.58 119.14 1t6r h GLU 108 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t6r h GLU 108 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1t6r h GLU 108 CO 0.00 0.00 -0.34 0.39 -1.16 0.00 0.00 179.01 177.90 1t6r n GLU 109 N -2.54 1.08 0.00 2.33 -0.58 0.17 -5.17 120.64 115.93 1t6r n GLU 109 Ca 0.01 -0.78 0.14 0.00 -0.42 0.00 0.00 57.16 56.11 1t6r n GLU 109 Cb 0.22 -1.48 0.60 0.00 -0.57 0.00 0.00 31.44 30.21 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65