#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 -0.10 0.02 7.83 4.22 -1.26 -5.09 114.94 120.56 1t6r s ASN 2 Ca 0.00 -0.84 -0.01 0.00 -2.14 0.00 0.00 52.86 49.87 1t6r s ASN 2 Cb 0.00 0.57 -0.01 0.00 1.28 0.00 0.00 41.25 43.09 1t6r s ASN 2 CO 0.00 -1.10 -0.02 0.59 -2.04 0.00 0.00 177.10 174.54 1t6r n ASN 3 N -0.35 0.48 -4.77 3.54 3.02 -1.26 -5.07 115.26 110.84 1t6r n ASN 3 Ca -0.04 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 1t6r n ASN 3 Cb 0.62 -0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.62 1t6r n ASN 3 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1t6r s LEU 4 N -6.43 4.37 0.16 3.41 2.96 -1.26 -4.78 118.68 117.11 1t6r s LEU 4 Ca -0.02 2.86 0.01 0.00 -0.22 0.00 0.00 54.13 56.76 1t6r s LEU 4 Cb 0.01 -3.66 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1t6r s LEU 4 CO 0.03 -0.70 0.02 -0.54 -1.32 0.00 0.00 176.35 173.83 1t6r s LYS 5 N -1.91 1.04 -0.33 1.98 -0.14 0.53 -5.01 119.74 115.90 1t6r s LYS 5 Ca 0.51 -1.50 0.03 0.00 -1.36 0.00 0.00 55.97 53.65 1t6r s LYS 5 Cb -0.43 -0.09 0.16 0.00 -1.68 0.00 0.00 37.83 35.79 1t6r s LYS 5 CO 0.58 -0.17 0.40 -0.51 -0.76 0.00 0.00 175.35 174.88 1t6r s LEU 6 N -3.13 -0.50 -1.23 3.17 1.43 -1.26 -1.71 118.68 115.47 1t6r s LEU 6 Ca 0.24 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 52.32 1t6r s LEU 6 Cb 0.07 0.88 0.19 0.00 0.03 0.00 0.00 46.19 47.36 1t6r s LEU 6 CO 0.03 -0.31 1.66 0.47 0.23 0.00 0.00 176.35 178.43 1t6r n ASP 7 N 4.86 5.32 -4.68 2.29 9.92 -0.46 -4.85 116.55 128.95 1t6r n ASP 7 Ca 0.05 -3.11 -0.43 0.00 -0.53 0.00 0.00 54.79 50.78 1t6r n ASP 7 Cb 0.48 -1.47 -0.02 0.00 -0.64 0.00 0.00 41.12 39.46 1t6r n ASP 7 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1t6r s ILE 8 N 0.21 4.59 0.04 0.53 1.01 -1.26 -1.78 121.20 124.53 1t6r s ILE 8 Ca 0.39 1.88 0.03 0.00 0.00 0.00 0.00 60.65 62.95 1t6r s ILE 8 Cb 0.04 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1t6r s ILE 8 CO 0.01 -0.03 -0.09 -0.69 0.00 0.00 0.00 174.94 174.14 1t6r s VAL 9 N 2.29 0.68 0.00 2.92 1.01 0.51 -4.99 120.40 122.82 1t6r s VAL 9 Ca 0.50 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1t6r s VAL 9 Cb -0.20 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1t6r s VAL 9 CO 0.18 -0.23 0.00 -0.62 0.00 0.00 0.00 175.10 174.42 1t6r n GLU 10 N 1.72 0.00 -3.25 2.72 1.02 -1.26 -0.95 120.64 120.64 1t6r n GLU 10 Ca -0.20 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.84 1t6r n GLU 10 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1t6r n GLU 10 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1t6r n GLN 11 N 0.00 -0.59 0.00 3.49 3.00 -1.26 -4.63 117.38 117.39 1t6r n GLN 11 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1t6r n GLN 11 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 30.24 29.84 1t6r n GLN 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1t6r n ASP 12 N -0.23 0.00 -2.69 1.08 8.00 -1.26 -4.98 116.55 116.46 1t6r n ASP 12 Ca -0.07 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.36 1t6r n ASP 12 Cb 0.19 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.00 -0.25 -3.67 -2.24 2.03 -1.26 -5.06 116.55 106.10 1t6r n ASP 13 Ca 0.00 -2.49 -0.08 0.00 0.52 0.00 0.00 54.79 52.73 1t6r n ASP 13 Cb 0.00 0.25 -0.09 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.46 0.49 -0.16 -0.67 2.20 -1.26 -4.86 119.74 114.02 1t6r s LYS 14 Ca 0.23 1.00 -0.21 0.00 -0.36 0.00 0.00 55.97 56.64 1t6r s LYS 14 Cb 0.42 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.85 1t6r s LYS 14 CO -0.04 -0.17 0.62 0.00 -0.36 0.00 0.00 175.35 175.40 1t6r s ALA 15 N 1.74 3.49 -0.05 3.13 0.00 -0.67 -4.39 121.76 125.02 1t6r s ALA 15 Ca -0.08 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1t6r s ALA 15 Cb -0.08 -2.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 1t6r s ALA 15 CO -0.15 -0.39 -0.17 0.42 0.00 0.00 0.00 175.76 175.46 1t6r s ILE 16 N 1.51 1.48 -0.20 0.00 1.01 -0.12 -0.56 121.20 124.31 1t6r s ILE 16 Ca 0.30 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1t6r s ILE 16 Cb -0.16 -1.28 0.06 0.00 0.01 0.00 0.00 42.46 41.10 1t6r s ILE 16 CO 0.12 0.43 0.06 0.54 0.00 0.00 0.00 174.94 176.08 1t6r s VAL 17 N 0.14 0.35 -0.84 2.92 0.11 -0.61 -0.36 120.40 122.11 1t6r s VAL 17 Ca -0.06 -0.49 -0.26 0.00 -2.93 0.00 0.00 61.98 58.24 1t6r s VAL 17 Cb -0.13 -0.93 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1t6r s VAL 17 CO 0.03 -0.26 1.35 -0.13 -3.33 0.00 0.00 175.10 172.76 1t6r s ARG 18 N 1.93 3.33 0.03 1.54 0.52 -0.73 -0.69 118.95 124.87 1t6r s ARG 18 Ca 0.01 -0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1t6r s ARG 18 Cb -0.17 -4.61 -0.07 0.00 0.52 0.00 0.00 34.95 30.62 1t6r s ARG 18 CO -0.10 -2.18 1.60 0.08 0.02 0.00 0.00 175.30 174.72 1t6r s VAL 19 N 5.52 3.28 -0.14 3.52 1.01 0.40 -1.35 120.40 132.64 1t6r s VAL 19 Ca 0.39 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 1t6r s VAL 19 Cb -0.05 -3.42 0.05 0.00 0.00 0.00 0.00 36.38 32.96 1t6r s VAL 19 CO 0.06 -0.01 0.07 -1.10 0.00 0.00 0.00 175.10 174.11 1t6r s GLN 20 N 2.87 0.20 0.00 2.72 -0.21 -0.69 -3.73 119.66 120.82 1t6r s GLN 20 Ca 0.72 -0.04 0.00 0.00 0.02 0.00 0.00 55.36 56.06 1t6r s GLN 20 Cb -0.37 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.09 1t6r s GLN 20 CO 0.31 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 173.32 1t6r n GLY 21 N 5.23 2.96 3.67 3.09 0.00 -1.26 -0.35 105.19 118.53 1t6r n GLY 21 Ca -0.07 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 2.58 -0.03 1.61 1.01 -1.26 -4.85 116.67 115.73 1t6r s ASP 22 Ca 0.00 1.22 0.04 0.00 0.71 0.00 0.00 52.55 54.52 1t6r s ASP 22 Cb 0.00 -1.89 0.07 0.00 1.01 0.00 0.00 42.92 42.11 1t6r s ASP 22 CO 0.00 -3.16 0.92 -0.38 0.21 0.00 0.00 175.17 172.75 1t6r n ILE 23 N -4.20 0.83 -0.70 0.77 5.41 -1.16 -4.69 119.36 115.62 1t6r n ILE 23 Ca 0.05 -0.92 0.00 0.00 1.00 0.00 0.00 62.75 62.89 1t6r n ILE 23 Cb 0.57 0.44 0.00 0.00 -0.71 0.00 0.00 39.64 39.94 1t6r n ILE 23 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1t6r n ASP 24 N -0.53 -0.13 0.00 4.38 5.75 -1.26 -2.22 116.55 122.53 1t6r n ASP 24 Ca 0.04 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1t6r n ASP 24 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t6r n ALA 25 N -3.00 1.11 0.82 2.12 0.00 -1.26 0.09 120.51 120.39 1t6r n ALA 25 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1t6r n ALA 25 Cb 0.00 -0.94 0.30 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.29 0.27 0.00 0.00 4.01 -1.26 -4.66 117.16 114.23 1t6r n TYR 26 Ca 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1t6r n TYR 26 Cb 0.02 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 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 -1.78 0.00 -0.32 7.72 3.02 0.36 -4.79 115.26 119.47 1t6r n ASN 27 Ca 0.05 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.74 1t6r n ASN 27 Cb 0.38 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 39.88 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 0.51 -0.98 6.41 4.64 0.13 0.47 113.55 124.73 1t6r h SER 28 Ca 0.00 0.14 0.33 0.00 -0.47 0.00 0.00 61.79 61.79 1t6r h SER 28 Cb 0.00 0.07 -0.16 0.00 -0.31 0.00 0.00 62.40 62.00 1t6r h SER 28 CO 0.00 0.08 0.44 0.28 -0.87 0.00 0.00 176.83 176.75 1t6r h SER 29 N 0.51 0.25 0.00 4.97 0.02 -1.83 -0.39 113.55 117.08 1t6r h SER 29 Ca 0.59 0.22 -0.24 0.00 -0.84 0.00 0.00 61.79 61.52 1t6r h SER 29 Cb 1.09 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 1t6r h SER 29 CO -0.48 -0.26 -1.88 -1.84 -1.14 0.00 0.00 176.83 171.23 1t6r n GLU 30 N -5.20 0.36 -0.33 3.45 0.28 0.44 -4.24 120.64 115.41 1t6r n GLU 30 Ca 0.31 0.11 0.28 0.00 -0.16 0.00 0.00 57.16 57.71 1t6r n GLU 30 Cb 1.00 -1.21 0.54 0.00 1.43 0.00 0.00 31.44 33.20 1t6r n GLU 30 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1t6r h LEU 31 N -0.22 0.41 0.40 -1.84 5.85 -0.27 0.20 115.31 119.83 1t6r h LEU 31 Ca -0.37 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1t6r h LEU 31 Cb 1.46 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1t6r h LEU 31 CO -0.13 -0.30 -0.19 0.50 -0.34 0.00 0.00 178.44 177.98 1t6r h LYS 32 N 0.15 -0.51 -0.08 1.25 3.64 -1.25 -0.56 116.57 119.21 1t6r h LYS 32 Ca 0.80 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 60.16 1t6r h LYS 32 Cb 1.99 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.92 1t6r h LYS 32 CO -0.69 -0.29 -0.22 1.49 -2.27 0.00 0.00 179.45 177.47 1t6r h GLU 33 N -0.61 0.13 0.23 1.90 4.81 -0.88 0.20 114.58 120.36 1t6r h GLU 33 Ca -0.05 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.80 1t6r h GLU 33 Cb 0.45 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.85 1t6r h GLU 33 CO 0.09 0.34 -1.54 1.96 -0.73 0.00 0.00 179.01 179.14 1t6r h GLN 34 N 0.12 0.49 -0.06 1.92 4.20 -0.92 -1.76 115.11 119.11 1t6r h GLN 34 Ca 0.02 -0.84 -0.10 0.00 0.06 0.00 0.00 58.65 57.79 1t6r h GLN 34 Cb 0.45 0.31 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1t6r h GLN 34 CO 0.03 1.40 -0.43 -0.07 -0.67 0.00 0.00 178.83 179.09 1t6r h LEU 35 N 0.13 0.13 0.26 1.46 3.38 -0.96 -0.77 115.31 118.95 1t6r h LEU 35 Ca -0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1t6r h LEU 35 Cb 2.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.86 1t6r h LEU 35 CO 0.25 0.55 -0.13 -0.09 0.09 0.00 0.00 178.44 179.11 1t6r h ARG 36 N 0.10 -0.34 -0.69 1.13 1.12 -0.51 -1.96 114.38 113.23 1t6r h ARG 36 Ca 0.01 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 1t6r h ARG 36 Cb 0.80 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.81 1t6r h ARG 36 CO 0.06 -0.22 0.35 -0.97 -3.11 0.00 0.00 179.97 176.08 1t6r h ASN 37 N -0.37 0.86 -0.22 -3.80 -0.73 -1.15 -2.50 115.58 107.67 1t6r h ASN 37 Ca -0.04 -0.08 0.06 0.00 1.87 0.00 0.00 56.30 58.11 1t6r h ASN 37 Cb 0.28 -0.22 -0.06 0.00 0.27 0.00 0.00 38.32 38.59 1t6r h ASN 37 CO 0.06 0.71 -0.19 0.15 -0.37 0.00 0.00 177.43 177.79 1t6r h PHE 38 N 0.96 -0.49 -0.45 0.67 3.57 -0.88 0.56 116.94 120.87 1t6r h PHE 38 Ca 0.24 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.81 1t6r h PHE 38 Cb 0.06 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1t6r h PHE 38 CO 0.01 -0.27 0.30 0.82 -2.23 0.00 0.00 178.31 176.95 1t6r h ILE 39 N -0.20 1.03 0.00 1.41 1.08 -0.93 -0.32 117.51 119.58 1t6r h ILE 39 Ca 0.13 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1t6r h ILE 39 Cb 0.39 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1t6r h ILE 39 CO -0.34 0.09 0.00 0.28 -0.69 0.00 0.00 178.15 177.49 1t6r h SER 40 N 0.48 0.00 -0.18 1.72 0.02 -0.93 -3.34 113.55 111.32 1t6r h SER 40 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1t6r h SER 40 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1t6r h SER 40 CO -0.05 0.00 0.00 1.07 -1.14 0.00 0.00 176.83 176.71 1t6r n THR 41 N -3.09 1.82 -3.95 -2.27 5.66 0.07 -4.91 114.28 107.62 1t6r n THR 41 Ca 0.03 -1.74 -0.31 0.00 -3.05 0.00 0.00 64.05 58.99 1t6r n THR 41 Cb 0.47 -0.04 -0.15 0.00 -1.55 0.00 0.00 70.33 69.05 1t6r n THR 41 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1t6r s THR 42 N -2.33 1.78 -1.56 1.09 -1.32 -0.82 -5.00 115.64 107.48 1t6r s THR 42 Ca 0.32 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 1t6r s THR 42 Cb 0.25 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.05 1t6r s THR 42 CO 0.08 -0.41 0.51 -0.24 -2.21 0.00 0.00 174.62 172.35 1t6r n SER 43 N 4.51 0.29 -4.74 8.08 2.88 -1.26 -4.81 113.62 118.57 1t6r n SER 43 Ca -0.04 -1.31 -0.35 0.00 -1.33 0.00 0.00 58.87 55.83 1t6r n SER 43 Cb 0.43 -0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.66 1t6r n SER 43 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1t6r s LYS 44 N -1.56 3.70 0.00 -1.46 -0.14 -1.26 -4.98 119.74 114.03 1t6r s LYS 44 Ca 0.00 -0.26 0.10 0.00 -1.36 0.00 0.00 55.97 54.45 1t6r s LYS 44 Cb 0.00 -3.18 0.46 0.00 -1.68 0.00 0.00 37.83 33.43 1t6r s LYS 44 CO 0.00 0.51 1.22 1.63 -0.76 0.00 0.00 175.35 177.95 1t6r n LYS 45 N 2.82 0.10 -3.80 1.68 4.01 -1.26 -4.68 118.16 117.03 1t6r n LYS 45 Ca -0.18 0.23 -0.25 0.00 -0.51 0.00 0.00 58.31 57.61 1t6r n LYS 45 Cb 0.53 -1.50 -0.17 0.00 -0.51 0.00 0.00 35.03 33.38 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 -2.69 0.87 -0.09 1.97 0.00 -1.26 -0.58 119.74 117.97 1t6r s LYS 46 Ca 0.08 -0.10 0.05 0.00 0.00 0.00 0.00 55.97 56.00 1t6r s LYS 46 Cb 0.06 -1.36 -0.00 0.00 0.00 0.00 0.00 37.83 36.53 1t6r s LYS 46 CO 0.15 -0.36 -0.24 0.42 0.00 0.00 0.00 175.35 175.33 1t6r s ILE 47 N 1.87 2.10 -0.34 3.79 1.09 -1.24 -1.66 121.20 126.81 1t6r s ILE 47 Ca 0.04 -1.02 0.01 0.00 -1.10 0.00 0.00 60.65 58.58 1t6r s ILE 47 Cb -0.13 -1.79 0.10 0.00 -1.06 0.00 0.00 42.46 39.59 1t6r s ILE 47 CO -0.06 0.56 0.10 -0.69 -0.10 0.00 0.00 174.94 174.75 1t6r s VAL 48 N 0.17 1.40 -0.64 2.92 1.01 0.27 -1.49 120.40 124.04 1t6r s VAL 48 Ca -0.14 -1.86 -0.23 0.00 0.00 0.00 0.00 61.98 59.76 1t6r s VAL 48 Cb -0.17 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.24 1t6r s VAL 48 CO 0.07 -0.68 0.94 -0.22 0.00 0.00 0.00 175.10 175.22 1t6r s LEU 49 N 1.22 4.40 -0.31 3.92 2.96 0.52 -1.57 118.68 129.82 1t6r s LEU 49 Ca 0.11 -0.93 -0.15 0.00 -0.22 0.00 0.00 54.13 52.94 1t6r s LEU 49 Cb -0.19 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 1t6r s LEU 49 CO -0.17 -1.39 0.38 -0.62 -1.32 0.00 0.00 176.35 173.23 1t6r s ASP 50 N 3.55 6.22 -0.13 3.68 -1.08 0.13 -1.09 116.67 127.95 1t6r s ASP 50 Ca 0.23 0.04 0.17 0.00 -0.52 0.00 0.00 52.55 52.47 1t6r s ASP 50 Cb -0.17 -2.21 0.29 0.00 -1.46 0.00 0.00 42.92 39.38 1t6r s ASP 50 CO 0.11 -0.27 1.15 0.18 0.52 0.00 0.00 175.17 176.86 1t6r n LEU 51 N 5.39 2.29 -0.32 -1.34 4.77 -0.20 -0.45 117.00 127.13 1t6r n LEU 51 Ca -0.08 -3.08 0.19 0.00 -0.03 0.00 0.00 56.01 53.00 1t6r n LEU 51 Cb 0.50 -0.42 0.44 0.00 -2.33 0.00 0.00 43.42 41.61 1t6r n LEU 51 CO 0.39 0.76 1.20 -1.28 -1.33 0.00 0.00 177.39 177.13 1t6r h SER 52 N 0.10 0.57 0.01 -1.43 0.87 -1.60 -2.53 113.55 109.55 1t6r h SER 52 Ca -0.00 0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.52 1t6r h SER 52 Cb 1.02 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1t6r h SER 52 CO 0.00 0.15 -0.50 0.28 -0.53 0.00 0.00 176.83 176.22 1t6r h SER 53 N 0.52 0.42 -3.31 6.23 0.02 -1.84 -3.47 113.55 112.14 1t6r h SER 53 Ca 0.58 -0.78 -0.36 0.00 -0.84 0.00 0.00 61.79 60.39 1t6r h SER 53 Cb 1.26 -0.13 0.17 0.00 0.14 0.00 0.00 62.40 63.84 1t6r h SER 53 CO -0.34 1.16 0.18 0.55 -1.14 0.00 0.00 176.83 177.24 1t6r n VAL 54 N -4.30 0.00 0.00 2.27 3.14 -0.95 -4.79 118.33 113.69 1t6r n VAL 54 Ca -0.10 -0.56 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 1t6r n VAL 54 Cb 0.63 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 1t6r n VAL 54 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1t6r n SER 55 N -4.41 0.00 -4.69 6.55 2.88 -1.26 -4.87 113.62 107.82 1t6r n SER 55 Ca 0.14 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.26 1t6r n SER 55 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 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 3.52 0.02 0.66 6.14 -1.26 -3.75 117.35 121.67 1t6r s TYR 56 Ca 0.00 1.47 -0.12 0.00 0.64 0.00 0.00 57.07 59.06 1t6r s TYR 56 Cb 0.00 -3.08 0.01 0.00 0.42 0.00 0.00 41.96 39.32 1t6r s TYR 56 CO 0.00 -0.16 0.24 1.41 0.64 0.00 0.00 175.55 177.69 1t6r s MET 57 N 1.74 0.69 0.00 4.97 1.75 -1.26 -2.96 119.30 124.22 1t6r s MET 57 Ca 0.45 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 54.44 1t6r s MET 57 Cb -0.18 0.29 0.00 0.00 2.84 0.00 0.00 34.83 37.78 1t6r s MET 57 CO 0.18 -0.20 0.00 -3.47 -0.65 0.00 0.00 175.02 170.88 1t6r n ASP 58 N 0.92 0.00 0.00 1.11 -0.08 -1.26 -4.98 116.55 112.26 1t6r n ASP 58 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1t6r n ASP 58 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 0.05 -1.67 0.00 -1.26 -1.57 120.51 113.06 1t6r n ALA 60 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1t6r n ALA 60 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.60 0.78 0.00 0.00 -1.90 -3.34 103.07 99.22 1t6r h GLY 61 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.28 1t6r h GLY 61 CO 0.00 0.92 -0.09 1.41 0.00 0.00 0.00 176.54 178.78 1t6r h LEU 62 N 0.31 -0.21 -2.61 3.11 3.38 -1.66 -2.26 115.31 115.36 1t6r h LEU 62 Ca -0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1t6r h LEU 62 Cb 1.61 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 1t6r h LEU 62 CO 0.18 0.04 -0.01 1.23 0.09 0.00 0.00 178.44 179.97 1t6r h GLY 63 N -0.47 0.00 0.74 0.83 0.00 -1.86 -0.94 103.07 101.36 1t6r h GLY 63 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1t6r h GLY 63 CO 0.04 0.00 0.00 -0.84 0.00 0.00 0.00 176.54 175.74 1t6r h THR 64 N 0.00 1.24 -0.60 4.70 2.02 -1.52 -2.51 112.91 116.23 1t6r h THR 64 Ca -0.00 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.48 1t6r h THR 64 Cb 0.10 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1t6r h THR 64 CO 0.00 0.20 0.40 -0.07 0.37 0.00 0.00 175.52 176.42 1t6r h LEU 65 N -0.19 0.62 -1.20 2.58 3.38 -1.03 0.53 115.31 120.00 1t6r h LEU 65 Ca 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1t6r h LEU 65 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1t6r h LEU 65 CO 0.00 0.43 0.06 0.58 0.09 0.00 0.00 178.44 179.60 1t6r h VAL 66 N 0.72 1.20 -0.07 1.22 2.07 -1.48 -1.04 116.25 118.87 1t6r h VAL 66 Ca 0.24 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1t6r h VAL 66 Cb 0.06 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1t6r h VAL 66 CO -0.06 0.27 0.02 0.58 0.02 0.00 0.00 177.57 178.39 1t6r h VAL 67 N 0.60 1.20 -0.57 2.57 2.07 -0.49 -1.70 116.25 119.92 1t6r h VAL 67 Ca 0.13 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1t6r h VAL 67 Cb 0.29 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1t6r h VAL 67 CO 0.00 0.17 0.31 0.40 0.02 0.00 0.00 177.57 178.47 1t6r h ILE 68 N -0.10 1.17 0.35 4.57 1.08 -0.80 -0.55 117.51 123.23 1t6r h ILE 68 Ca 0.02 -0.43 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1t6r h ILE 68 Cb 0.25 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1t6r h ILE 68 CO 0.00 0.19 -0.17 0.25 -0.69 0.00 0.00 178.15 177.73 1t6r h LEU 69 N 0.79 -0.40 -0.73 1.44 5.85 -1.11 -1.49 115.31 119.65 1t6r h LEU 69 Ca 0.20 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.06 1t6r h LEU 69 Cb 0.02 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1t6r h LEU 69 CO -0.03 -0.27 0.28 0.50 -0.34 0.00 0.00 178.44 178.58 1t6r h LYS 70 N -0.49 0.42 -0.13 1.25 3.64 -0.18 -0.59 116.57 120.49 1t6r h LYS 70 Ca -0.05 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 1t6r h LYS 70 Cb 0.37 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1t6r h LYS 70 CO 0.08 0.28 -0.49 -0.44 -2.27 0.00 0.00 179.45 176.61 1t6r h ASP 71 N 0.43 0.37 -0.37 4.20 3.32 -1.16 -1.24 116.42 121.97 1t6r h ASP 71 Ca 0.40 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.30 1t6r h ASP 71 Cb 0.59 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1t6r h ASP 71 CO -0.40 0.80 0.17 0.00 -1.72 0.00 0.00 179.24 178.09 1t6r h ALA 72 N 1.22 0.46 0.00 3.45 0.00 -0.05 0.05 119.26 124.38 1t6r h ALA 72 Ca 0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1t6r h ALA 72 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1t6r h ALA 72 CO 0.08 -0.20 -0.23 0.87 0.00 0.00 0.00 179.25 179.76 1t6r h LYS 73 N 0.35 0.00 0.92 0.00 1.79 -0.90 0.22 116.57 118.95 1t6r h LYS 73 Ca 0.16 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1t6r h LYS 73 Cb 0.09 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1t6r h LYS 73 CO -0.13 0.23 -0.44 0.82 -1.08 0.00 0.00 179.45 178.85 1t6r h ILE 74 N 0.00 0.00 0.00 1.86 2.04 -1.04 -3.23 117.51 117.14 1t6r h ILE 74 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1t6r h ILE 74 Cb 1.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1t6r h ILE 74 CO 0.03 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.77 1t6r n ASN 75 N -5.58 0.00 -1.60 1.72 3.02 -0.01 -4.89 115.26 107.91 1t6r n ASN 75 Ca -0.15 -0.13 -0.03 0.00 -0.03 0.00 0.00 54.58 54.24 1t6r n ASN 75 Cb 0.49 -0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.35 0.36 3.25 7.41 0.00 0.49 -5.04 105.19 112.01 1t6r n GLY 76 Ca 0.11 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.94 1.43 0.65 1.61 0.00 0.43 -4.89 119.74 115.03 1t6r s LYS 77 Ca 0.03 -1.75 -0.05 0.00 0.00 0.00 0.00 55.97 54.20 1t6r s LYS 77 Cb -0.00 0.30 0.05 0.00 0.00 0.00 0.00 37.83 38.18 1t6r s LYS 77 CO 0.14 -0.50 0.95 -1.21 0.00 0.00 0.00 175.35 174.73 1t6r s GLU 78 N -3.87 2.38 -0.30 1.78 0.41 0.26 -4.22 118.70 115.15 1t6r s GLU 78 Ca 0.39 -0.32 -0.00 0.00 -0.41 0.00 0.00 54.97 54.63 1t6r s GLU 78 Cb 0.05 -2.25 0.19 0.00 -1.78 0.00 0.00 34.13 30.34 1t6r s GLU 78 CO 0.18 -1.04 0.66 0.12 -0.49 0.00 0.00 175.26 174.68 1t6r s PHE 79 N -3.11 -1.55 0.06 1.61 5.36 -1.26 -3.72 117.98 115.37 1t6r s PHE 79 Ca 0.58 1.34 0.02 0.00 -0.96 0.00 0.00 56.93 57.91 1t6r s PHE 79 Cb -0.11 0.43 -0.03 0.00 -0.34 0.00 0.00 43.02 42.97 1t6r s PHE 79 CO 0.43 -0.87 -0.08 0.42 -1.46 0.00 0.00 175.22 173.66 1t6r s ILE 80 N 2.86 0.63 0.37 3.12 1.01 -0.55 -4.64 121.20 124.00 1t6r s ILE 80 Ca 0.16 -1.33 0.08 0.00 0.00 0.00 0.00 60.65 59.56 1t6r s ILE 80 Cb -0.12 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1t6r s ILE 80 CO -0.22 -0.50 0.19 -0.76 0.00 0.00 0.00 174.94 173.65 1t6r s LEU 81 N -1.99 3.25 -0.06 2.97 1.43 -1.25 -0.35 118.68 122.68 1t6r s LEU 81 Ca -0.04 -0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 51.97 1t6r s LEU 81 Cb -0.06 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.51 1t6r s LEU 81 CO -0.01 -0.42 0.55 -0.44 0.23 0.00 0.00 176.35 176.26 1t6r s SER 82 N -3.90 -0.50 -1.00 2.29 0.01 -0.25 -0.93 113.70 109.42 1t6r s SER 82 Ca 0.40 0.56 -0.10 0.00 1.31 0.00 0.00 55.95 58.12 1t6r s SER 82 Cb -0.01 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 66.73 1t6r s SER 82 CO 0.23 -0.51 0.80 -1.20 0.41 0.00 0.00 173.24 172.97 1t6r n SER 83 N 1.22 -6.28 -4.55 2.44 7.64 0.08 -1.03 113.62 113.14 1t6r n SER 83 Ca -0.19 -0.71 -0.39 0.00 1.01 0.00 0.00 58.87 58.59 1t6r n SER 83 Cb 0.57 -4.27 -0.03 0.00 -1.01 0.00 0.00 64.21 59.46 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 -5.46 3.24 0.68 -3.43 2.01 -1.26 -2.08 118.68 112.38 1t6r s LEU 84 Ca 0.33 -0.06 -0.17 0.00 0.01 0.00 0.00 54.13 54.24 1t6r s LEU 84 Cb -0.08 -2.54 -0.02 0.00 0.01 0.00 0.00 46.19 43.56 1t6r s LEU 84 CO 0.80 -2.17 0.92 0.29 1.01 0.00 0.00 176.35 177.19 1t6r n LYS 85 N 9.23 0.61 -0.15 1.70 5.02 -1.26 -4.56 118.16 128.75 1t6r n LYS 85 Ca 0.16 0.26 -0.06 0.00 -2.02 0.00 0.00 58.31 56.64 1t6r n LYS 85 Cb 0.51 -2.16 -0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1t6r n LYS 85 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1t6r h GLU 86 N -0.03 -0.19 0.00 1.97 4.81 -1.97 0.46 114.58 119.64 1t6r h GLU 86 Ca -0.48 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1t6r h GLU 86 Cb 1.35 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1t6r h GLU 86 CO 0.48 -0.13 0.00 0.45 -0.73 0.00 0.00 179.01 179.08 1t6r n SER 87 N -5.42 0.00 -0.15 1.04 2.88 -1.26 -2.50 113.62 108.21 1t6r n SER 87 Ca 0.03 0.92 -0.05 0.00 -1.33 0.00 0.00 58.87 58.44 1t6r n SER 87 Cb 0.34 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.35 -0.45 2.46 1.08 -1.56 -2.81 117.51 116.57 1t6r h ILE 88 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1t6r h ILE 88 Cb 0.00 0.35 -0.09 0.00 -3.07 0.00 0.00 36.82 34.01 1t6r h ILE 88 CO 0.00 0.00 -0.44 -1.28 -0.69 0.00 0.00 178.15 175.74 1t6r h SER 89 N -0.12 -1.47 -0.88 1.72 0.87 0.06 0.38 113.55 114.10 1t6r h SER 89 Ca 0.22 0.23 0.04 0.00 -1.23 0.00 0.00 61.79 61.04 1t6r h SER 89 Cb 0.47 0.65 -0.05 0.00 -0.44 0.00 0.00 62.40 63.02 1t6r h SER 89 CO -0.54 -0.36 0.57 0.03 -0.53 0.00 0.00 176.83 175.99 1t6r h ARG 90 N -0.30 1.06 0.00 2.24 2.47 -1.23 -0.96 114.38 117.66 1t6r h ARG 90 Ca 0.14 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1t6r h ARG 90 Cb 0.58 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1t6r h ARG 90 CO -0.61 0.70 0.00 -0.89 0.56 0.00 0.00 179.97 179.73 1t6r n ILE 91 N -4.54 0.88 -0.08 2.04 5.41 0.13 -0.19 119.36 123.01 1t6r n ILE 91 Ca 0.11 0.22 -0.23 0.00 1.00 0.00 0.00 62.75 63.86 1t6r n ILE 91 Cb 0.10 -1.03 -0.12 0.00 -0.71 0.00 0.00 39.64 37.88 1t6r n ILE 91 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1t6r n LEU 92 N -1.35 2.27 0.25 1.39 7.99 -0.41 -4.47 117.00 122.67 1t6r n LEU 92 Ca 0.04 0.27 0.12 0.00 -0.01 0.00 0.00 56.01 56.44 1t6r n LEU 92 Cb 0.10 -0.99 0.63 0.00 -0.11 0.00 0.00 43.42 43.05 1t6r n LEU 92 CO 0.09 0.59 0.91 0.11 -1.51 0.00 0.00 177.39 177.58 1t6r h LYS 93 N -0.52 0.00 0.00 3.23 1.79 -0.36 -1.21 116.57 119.50 1t6r h LYS 93 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1t6r h LYS 93 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1t6r h LYS 93 CO -0.13 0.16 0.00 1.37 -1.08 0.00 0.00 179.45 179.77 1t6r h LEU 94 N 0.00 0.00 -2.15 2.94 8.10 -0.80 -1.39 115.31 122.02 1t6r h LEU 94 Ca -0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1t6r h LEU 94 Cb 0.50 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.67 1t6r h LEU 94 CO 0.02 0.00 -0.56 0.41 -4.11 0.00 0.00 178.44 174.20 1t6r n THR 95 N -2.38 0.04 -2.59 0.15 -1.04 -1.22 -5.00 114.28 102.25 1t6r n THR 95 Ca -0.01 -0.18 -0.15 0.00 -2.04 0.00 0.00 64.05 61.67 1t6r n THR 95 Cb 0.06 0.55 -0.00 0.00 -1.82 0.00 0.00 70.33 69.11 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 0.03 -1.46 0.12 -1.42 8.25 -0.52 -4.84 115.22 115.38 1t6r n HIS 96 Ca 0.01 0.09 0.04 0.00 -0.26 0.00 0.00 57.72 57.60 1t6r n HIS 96 Cb 0.76 -2.99 0.46 0.00 1.12 0.00 0.00 29.99 29.33 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 -0.21 0.24 0.00 2.41 3.38 -1.48 -1.85 115.31 117.81 1t6r h LEU 97 Ca -0.34 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1t6r h LEU 97 Cb 1.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1t6r h LEU 97 CO 0.40 0.29 0.00 -0.90 0.09 0.00 0.00 178.44 178.32 1t6r n ASP 98 N -4.39 0.00 -0.03 -0.43 5.75 -1.20 -0.13 116.55 116.12 1t6r n ASP 98 Ca -0.00 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 1t6r n ASP 98 Cb 0.17 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 -1.34 0.80 -0.03 0.11 2.85 -0.72 -2.77 118.16 117.06 1t6r n LYS 99 Ca 0.03 -0.44 -0.01 0.00 -1.05 0.00 0.00 58.31 56.84 1t6r n LYS 99 Cb 0.06 -0.92 -0.00 0.00 -0.65 0.00 0.00 35.03 33.52 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 0.16 0.00 0.00 0.58 2.04 -0.94 -3.38 117.51 115.97 1t6r h ILE 100 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1t6r h ILE 100 Cb 0.04 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 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 -3.34 0.00 -2.24 1.37 3.72 0.81 -5.02 117.46 112.77 1t6r n PHE 101 Ca -0.01 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.40 1t6r n PHE 101 Cb 0.05 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.74 -0.22 -3.50 -1.08 4.81 -1.23 -3.79 118.16 112.42 1t6r n LYS 102 Ca 0.09 0.14 -0.16 0.00 -0.87 0.00 0.00 58.31 57.52 1t6r n LYS 102 Cb 0.04 -0.26 -0.05 0.00 0.02 0.00 0.00 35.03 34.78 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 -0.24 0.00 0.11 3.15 2.07 -1.11 -4.33 121.20 120.85 1t6r s ILE 103 Ca 0.00 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1t6r s ILE 103 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1t6r s ILE 103 CO 0.00 0.00 -0.12 0.42 -1.91 0.00 0.00 174.94 173.33 1t6r s THR 104 N -1.83 1.16 0.00 4.00 -4.23 -0.10 -4.97 115.64 109.67 1t6r s THR 104 Ca -0.07 -1.70 -0.23 0.00 -1.18 0.00 0.00 61.69 58.51 1t6r s THR 104 Cb -0.00 -1.47 -0.18 0.00 1.34 0.00 0.00 72.50 72.19 1t6r s THR 104 CO 0.03 -0.49 1.29 0.44 -0.54 0.00 0.00 174.62 175.35 1t6r h ASP 105 N 3.50 0.18 -5.33 3.99 3.32 -1.91 -2.91 116.42 117.26 1t6r h ASP 105 Ca -0.39 -0.50 -0.14 0.00 0.02 0.00 0.00 57.03 56.02 1t6r h ASP 105 Cb 1.19 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.55 1t6r h ASP 105 CO 0.52 0.65 -0.51 0.42 -1.72 0.00 0.00 179.24 178.60 1t6r s THR 106 N -4.21 0.10 0.12 0.35 -4.23 -1.26 -0.74 115.64 105.77 1t6r s THR 106 Ca -0.15 -1.66 0.32 0.00 -1.18 0.00 0.00 61.69 59.02 1t6r s THR 106 Cb 0.03 -1.87 0.36 0.00 1.34 0.00 0.00 72.50 72.36 1t6r s THR 106 CO 0.71 -0.47 1.96 1.62 -0.54 0.00 0.00 174.62 177.91 1t6r h VAL 107 N 2.77 0.12 0.00 2.29 3.04 -1.96 0.45 116.25 122.95 1t6r h VAL 107 Ca -0.34 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1t6r h VAL 107 Cb 1.20 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 1t6r h VAL 107 CO 0.56 0.04 0.00 1.21 -1.01 0.00 0.00 177.57 178.37 1t6r n GLU 108 N -3.16 0.16 -0.01 4.17 0.00 -1.26 -1.56 120.64 118.98 1t6r n GLU 108 Ca 0.00 0.40 0.11 0.00 0.00 0.00 0.00 57.16 57.67 1t6r n GLU 108 Cb 0.32 -1.81 0.10 0.00 0.00 0.00 0.00 31.44 30.05 1t6r n GLU 108 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1t6r n GLU 109 N -2.12 2.01 0.00 5.31 4.71 0.13 -5.16 120.64 125.53 1t6r n GLU 109 Ca 0.02 -1.81 0.12 0.00 -0.01 0.00 0.00 57.16 55.49 1t6r n GLU 109 Cb 0.22 -1.42 0.14 0.00 -1.01 0.00 0.00 31.44 29.37 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22