#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 0.17 0.01 3.17 4.13 -1.26 -4.95 115.26 116.54 1t6r n ASN 2 Ca 0.00 -2.57 -0.18 0.00 1.68 0.00 0.00 54.58 53.51 1t6r n ASN 2 Cb 0.00 -0.60 -0.13 0.00 -1.54 0.00 0.00 39.78 37.51 1t6r n ASN 2 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1t6r h ASN 3 N 5.17 0.37 -3.67 6.41 -0.00 -1.98 -3.46 115.58 118.43 1t6r h ASN 3 Ca 0.21 -0.90 -0.50 0.00 -0.00 0.00 0.00 56.30 55.11 1t6r h ASN 3 Cb 0.88 -0.12 -0.03 0.00 -0.00 0.00 0.00 38.32 39.05 1t6r h ASN 3 CO 0.44 1.23 0.05 -0.22 -0.00 0.00 0.00 177.43 178.94 1t6r s LEU 4 N -8.12 4.09 0.07 0.34 0.20 -1.26 -4.80 118.68 109.20 1t6r s LEU 4 Ca -0.15 1.21 0.01 0.00 0.69 0.00 0.00 54.13 55.89 1t6r s LEU 4 Cb 0.01 -3.99 -0.04 0.00 -0.43 0.00 0.00 46.19 41.74 1t6r s LEU 4 CO 0.79 -0.17 -0.06 -0.54 -0.29 0.00 0.00 176.35 176.08 1t6r s LYS 5 N -2.93 0.67 0.01 1.98 -0.14 0.53 -4.96 119.74 114.90 1t6r s LYS 5 Ca 0.53 -1.13 -0.04 0.00 -1.36 0.00 0.00 55.97 53.97 1t6r s LYS 5 Cb -0.11 -0.08 -0.01 0.00 -1.68 0.00 0.00 37.83 35.96 1t6r s LYS 5 CO 0.18 -0.03 0.06 -0.51 -0.76 0.00 0.00 175.35 174.29 1t6r s LEU 6 N -2.58 1.87 -0.37 3.17 1.02 -1.26 -1.04 118.68 119.48 1t6r s LEU 6 Ca 0.04 -0.31 0.01 0.00 0.02 0.00 0.00 54.13 53.88 1t6r s LEU 6 Cb 0.02 0.40 0.15 0.00 0.02 0.00 0.00 46.19 46.77 1t6r s LEU 6 CO -0.05 -0.32 0.24 -1.81 0.02 0.00 0.00 176.35 174.43 1t6r s ASP 7 N -1.33 2.76 0.31 2.29 1.01 -0.89 -4.95 116.67 115.87 1t6r s ASP 7 Ca -0.14 -2.39 -0.29 0.00 0.71 0.00 0.00 52.55 50.44 1t6r s ASP 7 Cb -0.08 -0.46 -0.10 0.00 1.01 0.00 0.00 42.92 43.28 1t6r s ASP 7 CO 0.00 -0.28 1.35 -0.63 0.21 0.00 0.00 175.17 175.83 1t6r s ILE 8 N 0.82 2.66 -0.07 0.77 1.01 -1.26 -0.83 121.20 124.31 1t6r s ILE 8 Ca 0.21 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.50 1t6r s ILE 8 Cb -0.18 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.90 1t6r s ILE 8 CO -0.03 0.14 -0.09 -0.69 0.00 0.00 0.00 174.94 174.27 1t6r s VAL 9 N -0.82 0.92 -0.41 2.92 1.01 0.75 -4.96 120.40 119.82 1t6r s VAL 9 Ca 0.52 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1t6r s VAL 9 Cb -0.41 -0.89 0.15 0.00 0.00 0.00 0.00 36.38 35.23 1t6r s VAL 9 CO 0.51 0.32 0.26 -1.61 0.00 0.00 0.00 175.10 174.57 1t6r s GLU 10 N 0.92 0.94 -0.32 2.72 2.02 -1.26 -0.57 118.70 123.15 1t6r s GLU 10 Ca -0.10 -1.79 -0.02 0.00 0.02 0.00 0.00 54.97 53.08 1t6r s GLU 10 Cb -0.15 -1.75 0.11 0.00 0.10 0.00 0.00 34.13 32.45 1t6r s GLU 10 CO 0.01 -1.23 0.16 -0.65 0.02 0.00 0.00 175.26 173.56 1t6r s GLN 11 N 0.53 0.39 0.00 1.61 -0.21 -1.26 -4.99 119.66 115.73 1t6r s GLN 11 Ca 0.21 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.70 1t6r s GLN 11 Cb -0.17 -1.32 0.00 0.00 1.00 0.00 0.00 33.01 32.52 1t6r s GLN 11 CO -0.04 -1.08 0.00 -0.25 -2.12 0.00 0.00 175.29 171.80 1t6r n ASP 12 N 4.77 0.00 -0.83 5.90 8.00 -1.26 -4.89 116.55 128.23 1t6r n ASP 12 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1t6r n ASP 12 Cb 0.40 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1t6r n ASP 12 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1t6r n ASP 13 N 0.00 -0.30 -3.72 -2.24 5.68 -1.26 -5.09 116.55 109.62 1t6r n ASP 13 Ca 0.00 -1.65 -0.10 0.00 -0.50 0.00 0.00 54.79 52.54 1t6r n ASP 13 Cb 0.00 0.07 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1t6r s LYS 14 N 0.00 0.94 -0.58 0.11 2.20 -1.26 -4.83 119.74 116.31 1t6r s LYS 14 Ca 0.04 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1t6r s LYS 14 Cb 0.05 0.40 0.15 0.00 -1.51 0.00 0.00 37.83 36.92 1t6r s LYS 14 CO -0.02 -0.33 0.36 0.00 -0.36 0.00 0.00 175.35 174.99 1t6r s ALA 15 N -3.47 3.47 0.40 3.13 0.00 -0.60 -4.30 121.76 120.39 1t6r s ALA 15 Ca 0.01 -3.33 -0.21 0.00 0.00 0.00 0.00 51.96 48.43 1t6r s ALA 15 Cb 0.02 -2.37 -0.11 0.00 0.00 0.00 0.00 23.12 20.67 1t6r s ALA 15 CO -0.09 -2.06 0.92 0.42 0.00 0.00 0.00 175.76 174.95 1t6r s ILE 16 N -0.32 4.40 -0.23 0.00 1.09 0.26 -0.32 121.20 126.08 1t6r s ILE 16 Ca 0.18 1.48 -0.04 0.00 -1.10 0.00 0.00 60.65 61.17 1t6r s ILE 16 Cb -0.22 -3.67 0.08 0.00 -1.06 0.00 0.00 42.46 37.58 1t6r s ILE 16 CO -0.02 -0.22 0.11 -0.69 -0.10 0.00 0.00 174.94 174.01 1t6r s VAL 17 N -2.06 -0.03 -1.21 2.92 1.01 -0.20 -0.18 120.40 120.65 1t6r s VAL 17 Ca 0.59 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 1t6r s VAL 17 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1t6r s VAL 17 CO 0.15 -0.49 1.88 0.54 0.00 0.00 0.00 175.10 177.18 1t6r n ARG 18 N 5.25 2.16 -2.31 2.72 1.74 -0.01 -0.70 116.66 125.51 1t6r n ARG 18 Ca -0.07 -2.72 -0.42 0.00 -0.77 0.00 0.00 57.85 53.88 1t6r n ARG 18 Cb 0.46 -3.61 -0.03 0.00 -1.02 0.00 0.00 32.46 28.26 1t6r n ARG 18 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1t6r s VAL 19 N 8.32 3.56 -0.41 1.55 1.01 -0.31 -2.10 120.40 132.02 1t6r s VAL 19 Ca 0.63 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.86 1t6r s VAL 19 Cb 0.02 -3.77 0.18 0.00 0.00 0.00 0.00 36.38 32.81 1t6r s VAL 19 CO 0.11 0.14 0.40 0.00 0.00 0.00 0.00 175.10 175.75 1t6r n GLN 20 N 3.26 0.29 -3.65 2.72 6.02 -0.21 -2.84 117.38 122.97 1t6r n GLN 20 Ca 0.08 -3.10 0.01 0.00 -0.01 0.00 0.00 57.00 53.98 1t6r n GLN 20 Cb 0.44 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 1t6r n GLN 20 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1t6r s GLY 21 N -0.11 0.55 0.52 1.08 0.00 -1.26 -0.34 107.32 107.76 1t6r s GLY 21 Ca 0.33 3.74 -0.17 0.00 0.00 0.00 0.00 44.72 48.62 1t6r s GLY 21 CO -0.18 2.62 1.00 0.99 0.00 0.00 0.00 173.10 177.53 1t6r s ASP 22 N 0.89 6.47 -0.39 1.64 1.01 -1.26 -3.76 116.67 121.27 1t6r s ASP 22 Ca -0.06 1.67 0.01 0.00 0.71 0.00 0.00 52.55 54.88 1t6r s ASP 22 Cb -0.03 -2.52 0.13 0.00 1.01 0.00 0.00 42.92 41.51 1t6r s ASP 22 CO -0.11 -0.69 0.19 -0.63 0.21 0.00 0.00 175.17 174.14 1t6r s ILE 23 N -2.48 1.16 0.00 0.77 1.01 -0.16 -4.77 121.20 116.74 1t6r s ILE 23 Ca 0.61 -2.16 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1t6r s ILE 23 Cb -0.12 -1.83 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 1t6r s ILE 23 CO 0.29 -0.84 0.00 -0.90 0.00 0.00 0.00 174.94 173.49 1t6r n ASP 24 N 3.96 1.94 0.32 3.58 5.75 -1.26 -1.22 116.55 129.61 1t6r n ASP 24 Ca 0.06 -1.01 0.14 0.00 -0.01 0.00 0.00 54.79 53.96 1t6r n ASP 24 Cb 0.37 0.00 0.73 0.00 -1.03 0.00 0.00 41.12 41.19 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t6r h ALA 25 N 1.00 1.35 0.00 2.12 0.00 -1.98 0.34 119.26 122.09 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1t6r h ALA 25 CO 0.00 -0.35 0.00 1.88 0.00 0.00 0.00 179.25 180.78 1t6r h TYR 26 N 0.00 0.00 0.00 0.00 -1.99 -1.96 -3.41 116.97 109.62 1t6r h TYR 26 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1t6r h TYR 26 Cb 0.72 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.45 1t6r h TYR 26 CO 0.00 0.00 -0.02 0.09 -0.00 0.00 0.00 178.16 178.23 1t6r n ASN 27 N -2.84 0.06 -0.27 3.88 3.02 0.30 -4.54 115.26 114.88 1t6r n ASN 27 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.66 1t6r n ASN 27 Cb 0.41 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.80 1t6r n ASN 27 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1t6r h SER 28 N 0.00 0.08 -0.47 6.41 0.87 -0.72 0.45 113.55 120.18 1t6r h SER 28 Ca 0.00 0.15 0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1t6r h SER 28 Cb 0.02 0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 1t6r h SER 28 CO 0.00 -0.04 -0.03 -1.28 -0.53 0.00 0.00 176.83 174.95 1t6r h SER 29 N 0.30 -0.26 0.12 6.23 0.87 -1.78 -0.45 113.55 118.57 1t6r h SER 29 Ca 0.46 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 61.13 1t6r h SER 29 Cb 0.81 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1t6r h SER 29 CO -0.53 -0.09 -0.06 -0.33 -0.53 0.00 0.00 176.83 175.29 1t6r h GLU 30 N 0.08 -0.16 -0.54 2.24 4.39 -1.44 -3.25 114.58 115.89 1t6r h GLU 30 Ca 0.23 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.09 1t6r h GLU 30 Cb 0.35 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.93 1t6r h GLU 30 CO -0.41 -0.07 0.02 -0.11 -1.16 0.00 0.00 179.01 177.27 1t6r n LEU 31 N -4.88 -0.06 0.22 1.33 -0.00 0.14 0.04 117.00 113.79 1t6r n LEU 31 Ca -0.02 0.92 -0.15 0.00 -0.00 0.00 0.00 56.01 56.76 1t6r n LEU 31 Cb 0.08 -0.34 -0.08 0.00 -0.00 0.00 0.00 43.42 43.08 1t6r n LEU 31 CO 0.06 -0.94 0.75 0.50 -0.00 0.00 0.00 177.39 177.77 1t6r h LYS 32 N 0.00 -0.47 -0.75 1.96 3.64 -1.12 -0.34 116.57 119.49 1t6r h LYS 32 Ca 0.33 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.84 1t6r h LYS 32 Cb 0.69 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.54 1t6r h LYS 32 CO -0.51 -0.31 0.39 1.49 -2.27 0.00 0.00 179.45 178.23 1t6r h GLU 33 N -0.49 0.63 -0.11 1.90 4.81 -0.42 0.73 114.58 121.62 1t6r h GLU 33 Ca -0.05 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 1t6r h GLU 33 Cb 0.37 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1t6r h GLU 33 CO 0.08 0.41 -0.61 1.96 -0.73 0.00 0.00 179.01 180.12 1t6r h GLN 34 N 0.64 0.61 -0.57 1.92 1.08 -0.76 -0.85 115.11 117.19 1t6r h GLN 34 Ca 0.37 -0.51 -0.11 0.00 -1.45 0.00 0.00 58.65 56.95 1t6r h GLN 34 Cb 0.39 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1t6r h GLN 34 CO -0.27 1.13 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.59 1t6r h LEU 35 N 0.25 1.06 0.13 1.46 -0.00 -1.02 -0.56 115.31 116.62 1t6r h LEU 35 Ca -0.04 -0.34 0.01 0.00 -0.00 0.00 0.00 57.88 57.50 1t6r h LEU 35 Cb 1.25 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 1t6r h LEU 35 CO 0.13 1.14 -0.13 -0.09 -0.00 0.00 0.00 178.44 179.48 1t6r h ARG 36 N 0.95 -0.28 -0.63 1.13 1.12 -0.68 0.10 114.38 116.10 1t6r h ARG 36 Ca 0.15 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.03 1t6r h ARG 36 Cb 0.65 0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.64 1t6r h ARG 36 CO 0.04 -0.19 0.36 -0.91 -3.11 0.00 0.00 179.97 176.17 1t6r h ASN 37 N -0.29 0.76 0.15 -3.80 2.35 -1.11 -0.36 115.58 113.28 1t6r h ASN 37 Ca 0.01 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1t6r h ASN 37 Cb 0.28 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 1t6r h ASN 37 CO -0.04 0.62 -0.45 0.15 -1.65 0.00 0.00 177.43 176.06 1t6r h PHE 38 N 0.85 -1.27 -0.24 1.19 3.57 -0.80 0.11 116.94 120.35 1t6r h PHE 38 Ca 0.22 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 1t6r h PHE 38 Cb 0.01 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1t6r h PHE 38 CO -0.01 -0.55 -0.13 0.82 -2.23 0.00 0.00 178.31 176.21 1t6r h ILE 39 N -0.70 1.22 -0.38 1.41 2.04 -0.62 0.56 117.51 121.03 1t6r h ILE 39 Ca 0.01 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1t6r h ILE 39 Cb 0.71 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1t6r h ILE 39 CO -0.24 0.31 0.11 -1.28 0.00 0.00 0.00 178.15 177.05 1t6r h SER 40 N 0.37 0.56 0.02 1.72 0.87 -0.72 -3.34 113.55 113.04 1t6r h SER 40 Ca 0.07 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1t6r h SER 40 Cb 0.46 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1t6r h SER 40 CO 0.03 0.63 -0.01 0.71 -0.53 0.00 0.00 176.83 177.65 1t6r h THR 41 N 0.47 1.36 -1.73 2.23 1.35 -0.17 -3.48 112.91 112.94 1t6r h THR 41 Ca 0.12 -1.84 -0.67 0.00 -0.55 0.00 0.00 66.41 63.47 1t6r h THR 41 Cb 0.27 2.48 0.05 0.00 -1.73 0.00 0.00 68.15 69.23 1t6r h THR 41 CO -0.00 0.43 0.52 1.07 -0.25 0.00 0.00 175.52 177.29 1t6r n THR 42 N -4.71 0.03 0.52 6.82 5.66 0.13 -4.88 114.28 117.84 1t6r n THR 42 Ca -0.08 -0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.02 1t6r n THR 42 Cb 0.35 -0.92 0.42 0.00 -1.55 0.00 0.00 70.33 68.63 1t6r n THR 42 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1t6r n SER 43 N 2.84 0.36 -4.78 1.09 7.64 -1.26 -4.82 113.62 114.68 1t6r n SER 43 Ca 0.19 0.58 -0.36 0.00 1.01 0.00 0.00 58.87 60.28 1t6r n SER 43 Cb 0.20 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 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 -3.14 3.38 0.54 1.43 -0.14 -1.26 -4.98 119.74 115.56 1t6r s LYS 44 Ca 0.07 -0.24 0.27 0.00 -1.36 0.00 0.00 55.97 54.70 1t6r s LYS 44 Cb 0.11 -3.07 1.53 0.00 -1.68 0.00 0.00 37.83 34.71 1t6r s LYS 44 CO 0.37 0.68 2.12 0.87 -0.76 0.00 0.00 175.35 178.64 1t6r h LYS 45 N 5.28 0.00 -4.71 1.68 1.79 -1.92 -3.42 116.57 115.27 1t6r h LYS 45 Ca -0.51 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.27 1t6r h LYS 45 Cb 1.21 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.56 1t6r h LYS 45 CO 0.59 0.09 -0.63 -1.59 -1.08 0.00 0.00 179.45 176.82 1t6r s LYS 46 N -4.37 2.59 -0.13 3.15 0.00 -1.26 -0.45 119.74 119.27 1t6r s LYS 46 Ca -0.04 -1.19 -0.05 0.00 0.00 0.00 0.00 55.97 54.69 1t6r s LYS 46 Cb 0.14 -3.38 -0.04 0.00 0.00 0.00 0.00 37.83 34.55 1t6r s LYS 46 CO 0.58 -0.64 0.07 0.42 0.00 0.00 0.00 175.35 175.78 1t6r s ILE 47 N 1.37 4.91 -0.34 3.79 1.09 -0.20 -1.56 121.20 130.27 1t6r s ILE 47 Ca -0.02 -0.01 -0.01 0.00 -1.10 0.00 0.00 60.65 59.51 1t6r s ILE 47 Cb -0.19 -3.14 0.12 0.00 -1.06 0.00 0.00 42.46 38.19 1t6r s ILE 47 CO 0.02 0.57 0.17 -0.69 -0.10 0.00 0.00 174.94 174.91 1t6r s VAL 48 N -0.57 0.47 -0.85 2.92 1.01 0.57 -1.91 120.40 122.04 1t6r s VAL 48 Ca 0.11 -1.57 -0.20 0.00 0.00 0.00 0.00 61.98 60.32 1t6r s VAL 48 Cb -0.12 -1.35 0.11 0.00 0.00 0.00 0.00 36.38 35.01 1t6r s VAL 48 CO 0.02 -0.85 1.10 -0.22 0.00 0.00 0.00 175.10 175.15 1t6r s LEU 49 N 1.30 4.73 -1.20 3.92 0.20 -0.48 -1.04 118.68 126.11 1t6r s LEU 49 Ca 0.14 -1.66 -0.19 0.00 0.69 0.00 0.00 54.13 53.11 1t6r s LEU 49 Cb -0.20 -2.42 -0.02 0.00 -0.43 0.00 0.00 46.19 43.12 1t6r s LEU 49 CO -0.14 -1.22 1.95 -0.67 -0.29 0.00 0.00 176.35 175.99 1t6r n ASP 50 N 7.09 3.73 -3.66 3.68 2.03 0.12 -1.04 116.55 128.49 1t6r n ASP 50 Ca 0.16 -2.80 -0.41 0.00 0.52 0.00 0.00 54.79 52.26 1t6r n ASP 50 Cb 0.48 -1.59 -0.00 0.00 -0.72 0.00 0.00 41.12 39.29 1t6r n ASP 50 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1t6r n LEU 51 N 8.87 7.39 -0.00 -2.67 4.77 -1.16 -1.16 117.00 133.04 1t6r n LEU 51 Ca 0.49 -4.78 0.09 0.00 -0.03 0.00 0.00 56.01 51.78 1t6r n LEU 51 Cb 0.43 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 39.98 1t6r n LEU 51 CO 0.84 1.74 -0.22 -0.24 -1.33 0.00 0.00 177.39 178.19 1t6r n SER 52 N 2.70 0.79 0.00 -1.43 2.88 -1.25 -4.48 113.62 112.83 1t6r n SER 52 Ca 0.51 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1t6r n SER 52 Cb 0.30 1.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.99 1t6r n SER 52 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t6r n SER 53 N -1.64 0.24 -4.61 -3.46 7.64 -1.13 -4.91 113.62 105.75 1t6r n SER 53 Ca 0.02 -0.59 -0.33 0.00 1.01 0.00 0.00 58.87 58.98 1t6r n SER 53 Cb 0.36 0.65 0.13 0.00 -1.01 0.00 0.00 64.21 64.34 1t6r n SER 53 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1t6r n VAL 54 N -0.65 1.06 0.00 0.44 3.14 -1.24 -4.07 118.33 117.02 1t6r n VAL 54 Ca 0.00 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1t6r n VAL 54 Cb 0.01 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.81 1t6r n VAL 54 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1t6r n SER 55 N -2.82 0.00 -4.74 6.55 7.64 -1.26 -4.96 113.62 114.04 1t6r n SER 55 Ca 0.11 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.58 1t6r n SER 55 Cb 0.51 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.11 3.71 -0.09 1.43 6.14 -1.26 -4.65 117.35 121.52 1t6r s TYR 56 Ca 0.00 1.70 -0.04 0.00 0.64 0.00 0.00 57.07 59.36 1t6r s TYR 56 Cb 0.00 -3.17 0.05 0.00 0.42 0.00 0.00 41.96 39.25 1t6r s TYR 56 CO 0.00 -0.22 0.22 1.41 0.64 0.00 0.00 175.55 177.59 1t6r s MET 57 N -0.30 0.16 0.00 4.97 -2.45 -1.23 -0.98 119.30 119.47 1t6r s MET 57 Ca 0.48 0.50 0.00 0.00 -1.25 0.00 0.00 55.69 55.42 1t6r s MET 57 Cb -0.27 -0.14 0.00 0.00 1.25 0.00 0.00 34.83 35.67 1t6r s MET 57 CO 0.33 -0.18 0.00 -3.47 1.05 0.00 0.00 175.02 172.75 1t6r n ASP 58 N 4.33 0.00 0.00 1.11 2.03 -0.36 -4.96 116.55 118.70 1t6r n ASP 58 Ca -0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.07 1t6r n ASP 58 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1t6r n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t6r n ALA 60 N -3.00 0.00 -0.33 -1.67 0.00 -1.26 -1.89 120.51 112.36 1t6r n ALA 60 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1t6r n ALA 60 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 1.45 0.88 0.00 0.00 -1.89 -0.51 103.07 103.00 1t6r h GLY 61 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 1t6r h GLY 61 CO 0.00 0.17 -0.17 1.41 0.00 0.00 0.00 176.54 177.95 1t6r h LEU 62 N 0.92 0.59 -1.13 3.11 3.38 -1.76 -2.98 115.31 117.45 1t6r h LEU 62 Ca 0.44 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1t6r h LEU 62 Cb 0.39 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1t6r h LEU 62 CO -0.24 0.90 0.04 1.23 0.09 0.00 0.00 178.44 180.46 1t6r h GLY 63 N 0.28 0.71 0.19 0.83 0.00 -1.73 -1.91 103.07 101.45 1t6r h GLY 63 Ca 0.05 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.02 1t6r h GLY 63 CO 0.05 0.39 -0.22 -0.84 0.00 0.00 0.00 176.54 175.92 1t6r h THR 64 N 0.63 0.44 -0.48 4.70 2.02 -1.06 0.29 112.91 119.45 1t6r h THR 64 Ca 0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.34 1t6r h THR 64 Cb 0.33 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1t6r h THR 64 CO 0.01 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 176.14 1t6r h LEU 65 N -0.22 0.49 -0.92 2.58 3.38 -1.20 0.73 115.31 120.15 1t6r h LEU 65 Ca 0.14 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1t6r h LEU 65 Cb 0.43 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1t6r h LEU 65 CO -0.37 0.34 -0.52 0.58 0.09 0.00 0.00 178.44 178.56 1t6r h VAL 66 N 0.57 1.37 0.28 1.22 2.07 -0.96 -1.05 116.25 119.75 1t6r h VAL 66 Ca 0.19 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1t6r h VAL 66 Cb 0.05 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1t6r h VAL 66 CO -0.05 0.51 -0.19 0.58 0.02 0.00 0.00 177.57 178.44 1t6r h VAL 67 N 0.05 0.59 -0.95 2.57 2.07 0.11 -2.99 116.25 117.69 1t6r h VAL 67 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1t6r h VAL 67 Cb 0.93 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1t6r h VAL 67 CO 0.07 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.67 1t6r h ILE 68 N -0.47 0.94 0.05 4.57 1.08 -0.54 -1.49 117.51 121.64 1t6r h ILE 68 Ca -0.02 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1t6r h ILE 68 Cb 0.40 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1t6r h ILE 68 CO 0.01 0.17 -0.03 0.25 -0.69 0.00 0.00 178.15 177.87 1t6r h LEU 69 N 0.94 -0.06 -0.87 1.44 5.85 -1.14 -1.07 115.31 120.39 1t6r h LEU 69 Ca 0.46 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.30 1t6r h LEU 69 Cb 0.46 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 1t6r h LEU 69 CO -0.22 -0.04 0.49 0.50 -0.34 0.00 0.00 178.44 178.83 1t6r h LYS 70 N -0.07 0.74 -0.66 1.25 3.64 -1.14 -0.38 116.57 119.95 1t6r h LYS 70 Ca -0.01 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1t6r h LYS 70 Cb 0.06 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1t6r h LYS 70 CO 0.01 0.49 0.21 -0.44 -2.27 0.00 0.00 179.45 177.45 1t6r h ASP 71 N 0.76 0.96 -0.17 4.20 3.32 -1.05 0.11 116.42 124.56 1t6r h ASP 71 Ca 0.45 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1t6r h ASP 71 Cb 0.52 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1t6r h ASP 71 CO -0.30 0.91 -0.07 0.00 -1.72 0.00 0.00 179.24 178.06 1t6r h ALA 72 N 1.09 0.08 -0.15 3.45 0.00 0.14 0.58 119.26 124.46 1t6r h ALA 72 Ca 0.21 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 1t6r h ALA 72 Cb 0.29 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1t6r h ALA 72 CO -0.01 -0.50 -0.62 0.87 0.00 0.00 0.00 179.25 178.99 1t6r h LYS 73 N -0.04 0.52 0.37 0.00 1.79 -0.76 0.36 116.57 118.83 1t6r h LYS 73 Ca 0.09 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1t6r h LYS 73 Cb 0.17 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1t6r h LYS 73 CO -0.20 0.98 -0.40 0.82 -1.08 0.00 0.00 179.45 179.57 1t6r h ILE 74 N 0.39 0.19 0.00 1.86 2.04 -0.65 -1.88 117.51 119.45 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 1.18 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 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 -5.49 0.07 -3.07 1.72 3.02 0.18 -4.92 115.26 106.77 1t6r n ASN 75 Ca -0.10 0.52 -0.05 0.00 -0.03 0.00 0.00 54.58 54.92 1t6r n ASN 75 Cb 0.39 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.11 -1.17 3.46 7.41 0.00 0.93 -5.04 105.19 110.66 1t6r n GLY 76 Ca 0.03 0.48 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.46 1.93 -0.66 1.61 -2.85 0.75 -4.99 119.74 112.07 1t6r s LYS 77 Ca 0.15 -1.84 -0.03 0.00 -1.00 0.00 0.00 55.97 53.25 1t6r s LYS 77 Cb -0.02 0.43 0.17 0.00 -2.06 0.00 0.00 37.83 36.34 1t6r s LYS 77 CO 0.72 -0.79 0.48 -2.00 0.10 0.00 0.00 175.35 173.87 1t6r s GLU 78 N -3.04 2.67 -0.37 1.78 2.12 0.40 -4.40 118.70 117.87 1t6r s GLU 78 Ca 0.33 -2.60 -0.29 0.00 0.36 0.00 0.00 54.97 52.77 1t6r s GLU 78 Cb -0.00 -3.78 0.02 0.00 0.26 0.00 0.00 34.13 30.63 1t6r s GLU 78 CO 0.23 -1.19 1.14 0.12 -0.54 0.00 0.00 175.26 175.02 1t6r s PHE 79 N -0.17 2.95 0.05 5.30 5.36 -1.26 -1.03 117.98 129.17 1t6r s PHE 79 Ca 0.18 0.97 0.06 0.00 -0.96 0.00 0.00 56.93 57.18 1t6r s PHE 79 Cb -0.19 -4.00 -0.02 0.00 -0.34 0.00 0.00 43.02 38.47 1t6r s PHE 79 CO -0.04 -1.11 -0.17 0.42 -1.46 0.00 0.00 175.22 172.86 1t6r s ILE 80 N 4.09 1.32 0.58 3.12 1.01 -0.80 -4.61 121.20 125.90 1t6r s ILE 80 Ca 0.48 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1t6r s ILE 80 Cb -0.11 -1.19 0.11 0.00 0.01 0.00 0.00 42.46 41.28 1t6r s ILE 80 CO 0.23 0.03 0.79 0.18 0.00 0.00 0.00 174.94 176.17 1t6r n LEU 81 N 1.73 0.00 -3.70 2.97 4.77 -1.25 -1.38 117.00 120.14 1t6r n LEU 81 Ca -0.18 -1.97 -0.06 0.00 -0.03 0.00 0.00 56.01 53.77 1t6r n LEU 81 Cb 0.54 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1t6r n LEU 81 CO 0.23 -0.82 0.63 -0.55 -1.33 0.00 0.00 177.39 175.55 1t6r s SER 82 N -4.35 -0.27 -0.83 -1.43 0.15 -0.20 -2.76 113.70 104.01 1t6r s SER 82 Ca 0.55 -0.33 -0.01 0.00 0.70 0.00 0.00 55.95 56.86 1t6r s SER 82 Cb -0.04 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1t6r s SER 82 CO 0.36 -0.94 0.70 -1.20 1.20 0.00 0.00 173.24 173.35 1t6r n SER 83 N -0.42 -2.49 -4.62 5.45 7.64 -1.12 -2.98 113.62 115.08 1t6r n SER 83 Ca -0.07 -0.41 -0.43 0.00 1.01 0.00 0.00 58.87 58.97 1t6r n SER 83 Cb 0.61 -3.63 -0.03 0.00 -1.01 0.00 0.00 64.21 60.15 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 -5.01 3.70 0.72 -3.43 2.01 -1.26 -3.92 118.68 111.49 1t6r s LEU 84 Ca 0.06 1.92 -0.14 0.00 0.01 0.00 0.00 54.13 55.98 1t6r s LEU 84 Cb -0.03 -3.52 0.03 0.00 0.01 0.00 0.00 46.19 42.68 1t6r s LEU 84 CO 0.49 -1.66 1.14 -0.54 1.01 0.00 0.00 176.35 176.80 1t6r s LYS 85 N 5.67 2.37 0.39 1.70 1.02 -1.26 -4.73 119.74 124.90 1t6r s LYS 85 Ca 0.91 1.50 0.06 0.00 0.02 0.00 0.00 55.97 58.46 1t6r s LYS 85 Cb -0.32 -1.89 0.79 0.00 -0.52 0.00 0.00 37.83 35.89 1t6r s LYS 85 CO 0.35 -1.61 2.04 0.93 -0.92 0.00 0.00 175.35 176.15 1t6r h GLU 86 N -0.37 0.63 0.00 1.68 5.08 -1.99 0.23 114.58 119.85 1t6r h GLU 86 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1t6r h GLU 86 Cb 1.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1t6r h GLU 86 CO 0.51 0.42 0.00 -1.13 -1.00 0.00 0.00 179.01 177.81 1t6r n SER 87 N -4.46 0.00 -0.18 1.42 3.41 -1.26 -3.77 113.62 108.78 1t6r n SER 87 Ca 0.05 0.47 -0.07 0.00 -0.26 0.00 0.00 58.87 59.05 1t6r n SER 87 Cb 0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1t6r n SER 87 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1t6r h ILE 88 N 0.00 0.14 -0.19 -1.33 1.08 -1.72 -1.95 117.51 113.53 1t6r h ILE 88 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1t6r h ILE 88 Cb 0.00 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 33.87 1t6r h ILE 88 CO 0.00 0.00 -0.11 -0.24 -0.69 0.00 0.00 178.15 177.11 1t6r n SER 89 N -5.42 -0.20 -0.27 1.72 2.88 0.79 -0.42 113.62 112.69 1t6r n SER 89 Ca 0.02 0.88 0.08 0.00 -1.33 0.00 0.00 58.87 58.52 1t6r n SER 89 Cb 0.35 -0.31 0.22 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.38 -0.53 -1.46 2.47 -1.44 -0.94 114.38 112.86 1t6r h ARG 90 Ca 0.03 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 1t6r h ARG 90 Cb 0.08 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1t6r h ARG 90 CO -0.18 0.25 0.06 0.82 0.56 0.00 0.00 179.97 181.49 1t6r h ILE 91 N 0.40 1.24 -0.49 2.04 2.04 -0.71 0.60 117.51 122.63 1t6r h ILE 91 Ca 0.46 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 1t6r h ILE 91 Cb 0.78 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1t6r h ILE 91 CO -0.47 0.34 0.04 -0.07 0.00 0.00 0.00 178.15 177.99 1t6r h LEU 92 N 0.81 0.76 -1.04 1.44 -0.00 -0.35 -2.56 115.31 114.37 1t6r h LEU 92 Ca 0.17 -0.17 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1t6r h LEU 92 Cb 0.40 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1t6r h LEU 92 CO 0.01 0.80 -0.19 0.11 -0.00 0.00 0.00 178.44 179.17 1t6r h LYS 93 N 0.75 0.46 0.35 1.13 1.79 -0.58 0.26 116.57 120.73 1t6r h LYS 93 Ca 0.15 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1t6r h LYS 93 Cb 0.40 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1t6r h LYS 93 CO 0.01 0.64 -0.33 -0.07 -1.08 0.00 0.00 179.45 178.62 1t6r h LEU 94 N 0.42 -0.89 -0.75 2.94 3.38 -0.54 -1.42 115.31 118.45 1t6r h LEU 94 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1t6r h LEU 94 Cb 0.58 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1t6r h LEU 94 CO 0.04 -0.44 0.00 0.35 0.09 0.00 0.00 178.44 178.48 1t6r n THR 95 N -4.37 0.00 -2.46 0.22 -2.24 -1.23 -4.84 114.28 99.35 1t6r n THR 95 Ca -0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 1t6r n THR 95 Cb 0.30 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1t6r n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t6r n HIS 96 N -0.07 -1.70 0.23 4.78 1.44 -0.53 -4.83 115.22 114.54 1t6r n HIS 96 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 1t6r n HIS 96 Cb 0.16 -1.88 0.56 0.00 0.12 0.00 0.00 29.99 28.95 1t6r n HIS 96 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1t6r h LEU 97 N 0.00 0.00 -1.73 2.39 3.38 -1.18 -2.81 115.31 115.36 1t6r h LEU 97 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1t6r h LEU 97 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1t6r h LEU 97 CO 0.17 0.21 0.00 -2.24 0.09 0.00 0.00 178.44 176.67 1t6r h ASP 98 N 0.00 0.00 -0.01 -0.43 2.03 -1.71 0.14 116.42 116.44 1t6r h ASP 98 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1t6r h ASP 98 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 1t6r h ASP 98 CO 0.03 0.00 -0.25 2.29 -1.03 0.00 0.00 179.24 180.28 1t6r n LYS 99 N -2.48 1.60 -0.02 4.15 2.85 -1.06 -3.66 118.16 119.54 1t6r n LYS 99 Ca -0.01 -0.98 -0.01 0.00 -1.05 0.00 0.00 58.31 56.25 1t6r n LYS 99 Cb 0.07 -1.28 -0.00 0.00 -0.65 0.00 0.00 35.03 33.17 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 0.14 0.35 1.95 0.58 5.41 -0.10 -4.43 119.36 123.26 1t6r n ILE 100 Ca 0.07 0.43 0.08 0.00 1.00 0.00 0.00 62.75 64.34 1t6r n ILE 100 Cb 0.36 -1.71 0.50 0.00 -0.71 0.00 0.00 39.64 38.07 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 -2.87 0.00 -3.04 1.39 3.72 0.31 -5.02 117.46 111.95 1t6r n PHE 101 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1t6r n PHE 101 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.77 0.00 -3.48 -1.08 4.81 -1.24 -3.92 118.16 112.48 1t6r n LYS 102 Ca 0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.42 1t6r n LYS 102 Cb 0.06 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.07 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 -0.00 3.15 2.07 -1.25 -4.35 121.20 120.82 1t6r s ILE 103 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1t6r s ILE 103 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 1t6r s ILE 103 CO 0.00 0.00 -0.13 0.42 -1.91 0.00 0.00 174.94 173.32 1t6r s THR 104 N -2.37 0.99 0.01 4.00 -4.23 -1.11 -4.97 115.64 107.96 1t6r s THR 104 Ca -0.05 -0.59 0.22 0.00 -1.18 0.00 0.00 61.69 60.09 1t6r s THR 104 Cb -0.00 -0.84 0.20 0.00 1.34 0.00 0.00 72.50 73.20 1t6r s THR 104 CO -0.01 0.24 1.71 -0.78 -0.54 0.00 0.00 174.62 175.23 1t6r h ASP 105 N 5.72 0.00 -5.60 3.99 3.58 -1.91 -2.98 116.42 119.21 1t6r h ASP 105 Ca -0.34 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 56.86 1t6r h ASP 105 Cb 1.17 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.07 1t6r h ASP 105 CO 0.48 0.28 -0.58 0.42 -2.88 0.00 0.00 179.24 176.96 1t6r s THR 106 N -3.43 0.00 0.27 2.25 -4.23 -1.26 -4.24 115.64 105.01 1t6r s THR 106 Ca 0.02 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.65 1t6r s THR 106 Cb 0.09 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1t6r s THR 106 CO 0.67 0.00 1.63 1.62 -0.54 0.00 0.00 174.62 177.99 1t6r h VAL 107 N 2.55 1.40 0.00 2.29 3.04 -2.00 -3.14 116.25 120.39 1t6r h VAL 107 Ca -0.34 -1.94 -0.05 0.00 -1.01 0.00 0.00 66.70 63.36 1t6r h VAL 107 Cb 1.25 2.02 -0.01 0.00 -2.01 0.00 0.00 31.29 32.54 1t6r h VAL 107 CO 0.50 0.56 -0.23 -0.33 -1.01 0.00 0.00 177.57 177.06 1t6r h GLU 108 N 0.07 0.00 -0.25 4.17 4.39 -2.01 -2.48 114.58 118.47 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 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1t6r h GLU 108 CO 0.08 0.23 0.00 -1.91 -1.16 0.00 0.00 179.01 176.25 1t6r n GLU 109 N -3.79 1.78 0.00 2.33 2.13 -1.19 -5.18 120.64 116.72 1t6r n GLU 109 Ca -0.02 -1.19 0.06 0.00 0.66 0.00 0.00 57.16 56.68 1t6r n GLU 109 Cb 0.33 -1.34 0.05 0.00 0.27 0.00 0.00 31.44 30.75 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72