#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 -0.45 0.31 6.12 3.84 -1.26 -5.01 114.94 118.49 1t6r s ASN 2 Ca 0.00 0.16 -0.01 0.00 0.21 0.00 0.00 52.86 53.23 1t6r s ASN 2 Cb 0.00 0.50 0.51 0.00 -0.55 0.00 0.00 41.25 41.71 1t6r s ASN 2 CO 0.00 -0.74 1.98 0.78 -2.79 0.00 0.00 177.10 176.33 1t6r h ASN 3 N 2.71 0.88 -2.51 -4.21 4.21 -1.98 -3.42 115.58 111.26 1t6r h ASN 3 Ca -0.31 -0.02 -0.53 0.00 1.21 0.00 0.00 56.30 56.64 1t6r h ASN 3 Cb 1.22 -0.22 0.02 0.00 -1.12 0.00 0.00 38.32 38.22 1t6r h ASN 3 CO 0.41 0.63 1.13 -0.22 -1.29 0.00 0.00 177.43 178.10 1t6r s LEU 4 N -9.87 4.39 0.14 1.61 1.98 -1.26 -4.52 118.68 111.15 1t6r s LEU 4 Ca -0.11 2.56 0.02 0.00 -2.89 0.00 0.00 54.13 53.70 1t6r s LEU 4 Cb 0.18 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.44 1t6r s LEU 4 CO 0.78 -0.99 -0.03 -0.75 -1.89 0.00 0.00 176.35 173.48 1t6r s LYS 5 N 3.70 0.99 -0.24 1.98 2.47 0.30 -4.99 119.74 123.95 1t6r s LYS 5 Ca 0.81 -1.44 -0.03 0.00 -1.56 0.00 0.00 55.97 53.75 1t6r s LYS 5 Cb -0.41 -0.24 0.11 0.00 -1.46 0.00 0.00 37.83 35.83 1t6r s LYS 5 CO 0.36 -0.08 0.25 -0.51 0.16 0.00 0.00 175.35 175.53 1t6r s LEU 6 N -3.11 -0.14 -0.80 5.43 1.43 -1.26 -1.54 118.68 118.68 1t6r s LEU 6 Ca 0.19 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1t6r s LEU 6 Cb 0.06 0.42 0.20 0.00 0.03 0.00 0.00 46.19 46.89 1t6r s LEU 6 CO 0.00 -0.36 0.67 -1.81 0.23 0.00 0.00 176.35 175.08 1t6r s ASP 7 N 2.33 5.74 0.04 2.29 1.01 -0.35 -4.94 116.67 122.80 1t6r s ASP 7 Ca 0.08 -3.44 -0.26 0.00 0.71 0.00 0.00 52.55 49.65 1t6r s ASP 7 Cb -0.15 -1.89 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 1t6r s ASP 7 CO -0.21 -0.25 0.80 -0.63 0.21 0.00 0.00 175.17 175.09 1t6r s ILE 8 N -0.92 4.73 0.01 0.77 1.01 -1.26 -1.18 121.20 124.37 1t6r s ILE 8 Ca 0.24 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.62 1t6r s ILE 8 Cb -0.11 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1t6r s ILE 8 CO -0.10 0.34 -0.07 -0.69 0.00 0.00 0.00 174.94 174.42 1t6r s VAL 9 N 0.09 0.53 -0.21 2.92 1.01 0.70 -4.98 120.40 120.46 1t6r s VAL 9 Ca 0.40 -0.54 0.21 0.00 0.00 0.00 0.00 61.98 62.05 1t6r s VAL 9 Cb -0.21 -0.50 0.48 0.00 0.00 0.00 0.00 36.38 36.16 1t6r s VAL 9 CO 0.24 -0.03 1.14 -0.62 0.00 0.00 0.00 175.10 175.83 1t6r n GLU 10 N 2.43 1.64 0.06 2.72 1.02 -1.26 -0.71 120.64 126.54 1t6r n GLU 10 Ca -0.16 -3.29 0.04 0.00 -0.02 0.00 0.00 57.16 53.74 1t6r n GLU 10 Cb 0.57 -1.38 0.22 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.42 0.05 -3.15 3.49 6.02 -1.26 -4.66 117.38 117.45 1t6r n GLN 11 Ca 0.13 0.53 -0.10 0.00 -0.01 0.00 0.00 57.00 57.55 1t6r n GLN 11 Cb 0.89 -1.66 -0.04 0.00 1.02 0.00 0.00 30.24 30.45 1t6r n GLN 11 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1t6r n ASP 12 N -1.77 -0.52 0.00 1.08 2.03 -1.26 -5.05 116.55 111.07 1t6r n ASP 12 Ca -0.00 -2.18 0.04 0.00 0.52 0.00 0.00 54.79 53.16 1t6r n ASP 12 Cb 0.02 1.10 0.22 0.00 -0.72 0.00 0.00 41.12 41.74 1t6r n ASP 12 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1t6r n ASP 13 N -2.13 0.00 -4.29 1.67 5.75 -1.26 -4.59 116.55 111.70 1t6r n ASP 13 Ca 0.03 -0.66 -0.34 0.00 -0.01 0.00 0.00 54.79 53.82 1t6r n ASP 13 Cb 0.34 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.28 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1t6r s LYS 14 N -2.00 3.30 -0.40 0.11 2.20 -1.26 -4.75 119.74 116.94 1t6r s LYS 14 Ca 0.11 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 1t6r s LYS 14 Cb 0.05 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.60 1t6r s LYS 14 CO 0.09 -0.07 1.16 0.00 -0.36 0.00 0.00 175.35 176.16 1t6r s ALA 15 N 1.08 3.29 -0.12 3.13 0.00 -1.25 -4.38 121.76 123.52 1t6r s ALA 15 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1t6r s ALA 15 Cb -0.15 -3.81 0.01 0.00 0.00 0.00 0.00 23.12 19.18 1t6r s ALA 15 CO -0.02 -1.94 -0.19 0.42 0.00 0.00 0.00 175.76 174.02 1t6r s ILE 16 N 4.24 1.80 -0.24 0.00 1.01 0.11 -1.09 121.20 127.04 1t6r s ILE 16 Ca 0.49 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1t6r s ILE 16 Cb -0.10 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.83 1t6r s ILE 16 CO 0.25 0.50 -0.01 0.54 0.00 0.00 0.00 174.94 176.22 1t6r s VAL 17 N 0.79 1.29 -0.75 2.92 0.11 -0.69 -0.22 120.40 123.86 1t6r s VAL 17 Ca -0.09 -1.16 -0.26 0.00 -2.93 0.00 0.00 61.98 57.54 1t6r s VAL 17 Cb -0.16 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 1t6r s VAL 17 CO 0.00 -0.21 1.94 -0.13 -3.33 0.00 0.00 175.10 173.37 1t6r s ARG 18 N 1.49 2.54 0.16 1.54 0.52 -0.32 -0.81 118.95 124.07 1t6r s ARG 18 Ca -0.02 0.21 -0.31 0.00 -0.52 0.00 0.00 55.73 55.09 1t6r s ARG 18 Cb -0.18 -4.72 -0.09 0.00 0.52 0.00 0.00 34.95 30.48 1t6r s ARG 18 CO -0.09 -3.11 1.42 0.08 0.02 0.00 0.00 175.30 173.63 1t6r s VAL 19 N 9.83 3.05 -0.16 3.52 1.01 0.13 -1.21 120.40 136.56 1t6r s VAL 19 Ca 0.70 0.79 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 1t6r s VAL 19 Cb -0.10 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.82 1t6r s VAL 19 CO 0.10 0.08 0.01 -1.10 0.00 0.00 0.00 175.10 174.19 1t6r s GLN 20 N 0.67 0.84 0.00 2.72 -0.21 -0.59 -3.91 119.66 119.18 1t6r s GLN 20 Ca 0.63 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.66 1t6r s GLN 20 Cb -0.39 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1t6r s GLN 20 CO 0.34 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 173.39 1t6r n GLY 21 N 5.02 -0.88 0.26 3.09 0.00 -1.26 -0.54 105.19 110.89 1t6r n GLY 21 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1t6r n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t6r n ASP 22 N 0.73 0.00 -3.75 1.61 8.00 -1.26 -3.94 116.55 117.94 1t6r n ASP 22 Ca 0.00 -1.41 -0.26 0.00 0.71 0.00 0.00 54.79 53.83 1t6r n ASP 22 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1t6r n ASP 22 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1t6r n ILE 23 N 0.00 -3.53 -3.64 0.53 5.41 -1.26 -0.89 119.36 115.98 1t6r n ILE 23 Ca 0.00 -0.01 -0.13 0.00 1.00 0.00 0.00 62.75 63.61 1t6r n ILE 23 Cb 0.58 -3.07 0.00 0.00 -0.71 0.00 0.00 39.64 36.44 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 -2.38 1.83 0.02 4.38 5.68 -1.26 0.11 116.55 124.93 1t6r n ASP 24 Ca -0.29 -1.96 0.09 0.00 -0.50 0.00 0.00 54.79 52.13 1t6r n ASP 24 Cb 0.69 -0.04 0.39 0.00 -1.14 0.00 0.00 41.12 41.03 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1t6r n ALA 25 N -2.43 1.81 1.23 2.12 0.00 -1.26 0.12 120.51 122.10 1t6r n ALA 25 Ca -0.09 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1t6r n ALA 25 Cb 0.32 -1.31 0.65 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.61 0.00 0.00 0.00 4.01 -1.26 -4.40 117.16 113.90 1t6r n TYR 26 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1t6r n TYR 26 Cb 0.22 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 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 -1.25 0.00 -0.32 7.72 3.02 -0.91 -4.77 115.26 118.75 1t6r n ASN 27 Ca 0.13 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.65 1t6r n ASN 27 Cb 0.19 0.01 0.12 0.00 -0.61 0.00 0.00 39.78 39.49 1t6r n ASN 27 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1t6r h SER 28 N 0.00 1.08 -0.85 6.41 0.02 -0.53 0.43 113.55 120.11 1t6r h SER 28 Ca 0.00 -0.08 0.17 0.00 -0.84 0.00 0.00 61.79 61.04 1t6r h SER 28 Cb 0.00 -0.27 -0.16 0.00 0.14 0.00 0.00 62.40 62.11 1t6r h SER 28 CO 0.00 0.84 -0.22 -1.28 -1.14 0.00 0.00 176.83 175.03 1t6r h SER 29 N 1.23 -0.82 0.00 3.07 0.87 -1.79 0.18 113.55 116.29 1t6r h SER 29 Ca 0.32 0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 61.05 1t6r h SER 29 Cb -0.02 0.54 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1t6r h SER 29 CO -0.06 -0.28 -0.65 -0.33 -0.53 0.00 0.00 176.83 174.98 1t6r h GLU 30 N -0.00 0.00 -1.34 2.24 4.39 -1.22 -3.10 114.58 115.55 1t6r h GLU 30 Ca 0.40 0.00 0.40 0.00 0.34 0.00 0.00 59.36 60.50 1t6r h GLU 30 Cb 0.62 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.18 1t6r h GLU 30 CO -0.88 0.44 0.91 1.25 -1.16 0.00 0.00 179.01 179.57 1t6r h LEU 31 N -1.00 0.18 0.44 1.33 6.46 -0.32 0.38 115.31 122.78 1t6r h LEU 31 Ca -0.12 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1t6r h LEU 31 Cb 0.76 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1t6r h LEU 31 CO -0.07 -0.05 -0.21 0.50 -0.62 0.00 0.00 178.44 177.99 1t6r h LYS 32 N 0.12 -0.56 0.00 1.25 3.64 -0.70 -0.51 116.57 119.80 1t6r h LYS 32 Ca 0.73 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 60.09 1t6r h LYS 32 Cb 2.48 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 34.42 1t6r h LYS 32 CO -0.22 -0.26 -0.29 1.05 -2.27 0.00 0.00 179.45 177.46 1t6r h GLU 33 N -0.94 0.00 0.20 1.90 4.11 -1.00 0.93 114.58 119.78 1t6r h GLU 33 Ca -0.06 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.05 1t6r h GLU 33 Cb 0.57 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.84 1t6r h GLU 33 CO 0.10 0.29 -1.46 1.96 0.07 0.00 0.00 179.01 179.97 1t6r h GLN 34 N 0.00 0.42 -0.47 1.06 4.20 -1.06 -0.63 115.11 118.62 1t6r h GLN 34 Ca -0.00 -0.71 -0.04 0.00 0.06 0.00 0.00 58.65 57.96 1t6r h GLN 34 Cb 0.65 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 1t6r h GLN 34 CO 0.04 1.33 0.13 -0.07 -0.67 0.00 0.00 178.83 179.58 1t6r h LEU 35 N 0.11 0.65 0.11 1.46 -0.00 -0.84 0.17 115.31 116.98 1t6r h LEU 35 Ca -0.23 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.54 1t6r h LEU 35 Cb 2.09 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 1t6r h LEU 35 CO 0.23 0.64 -0.05 -0.09 -0.00 0.00 0.00 178.44 179.17 1t6r h ARG 36 N 0.69 -0.14 -0.05 1.13 2.43 -0.59 -1.13 114.38 116.71 1t6r h ARG 36 Ca 0.16 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1t6r h ARG 36 Cb 0.24 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1t6r h ARG 36 CO -0.00 -0.04 -0.30 -0.97 -1.51 0.00 0.00 179.97 177.14 1t6r h ASN 37 N -0.21 -0.90 -0.06 -3.80 -0.73 -0.93 -2.71 115.58 106.24 1t6r h ASN 37 Ca -0.02 0.13 0.02 0.00 1.87 0.00 0.00 56.30 58.30 1t6r h ASN 37 Cb 0.17 0.37 -0.06 0.00 0.27 0.00 0.00 38.32 39.07 1t6r h ASN 37 CO 0.03 -0.35 -0.52 0.15 -0.37 0.00 0.00 177.43 176.36 1t6r h PHE 38 N -0.42 -1.53 0.00 0.67 3.57 -0.53 0.18 116.94 118.87 1t6r h PHE 38 Ca 0.08 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1t6r h PHE 38 Cb 0.53 0.68 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1t6r h PHE 38 CO -0.35 -0.54 -0.07 0.82 -2.23 0.00 0.00 178.31 175.94 1t6r h ILE 39 N -0.60 0.79 0.02 1.41 2.04 -1.08 -1.63 117.51 118.46 1t6r h ILE 39 Ca 0.02 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1t6r h ILE 39 Cb 0.67 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1t6r h ILE 39 CO -0.38 0.07 -0.13 0.28 0.00 0.00 0.00 178.15 177.99 1t6r h SER 40 N 0.00 0.08 0.00 1.72 0.02 -1.11 -3.39 113.55 110.87 1t6r h SER 40 Ca -0.00 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1t6r h SER 40 Cb 0.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1t6r h SER 40 CO 0.01 1.02 0.00 1.07 -1.14 0.00 0.00 176.83 177.78 1t6r n THR 41 N -4.55 0.00 -4.07 -2.27 5.66 0.57 -4.70 114.28 104.91 1t6r n THR 41 Ca -0.10 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.58 1t6r n THR 41 Cb 0.51 -0.23 -0.16 0.00 -1.55 0.00 0.00 70.33 68.90 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 -1.54 1.89 -1.90 1.09 -1.32 -1.07 -5.00 115.64 107.79 1t6r s THR 42 Ca 0.00 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 1t6r s THR 42 Cb 0.00 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.20 1t6r s THR 42 CO 0.00 0.40 0.51 -0.24 -2.21 0.00 0.00 174.62 173.08 1t6r n SER 43 N 4.65 0.06 -4.34 8.08 2.88 -1.26 -4.75 113.62 118.92 1t6r n SER 43 Ca -0.18 -1.09 -0.36 0.00 -1.33 0.00 0.00 58.87 55.92 1t6r n SER 43 Cb 0.49 -0.03 -0.13 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.90 3.38 0.32 -1.46 -0.14 -1.26 -4.98 119.74 113.70 1t6r s LYS 44 Ca 0.00 -0.64 0.05 0.00 -1.36 0.00 0.00 55.97 54.02 1t6r s LYS 44 Cb 0.00 -3.13 0.54 0.00 -1.68 0.00 0.00 37.83 33.56 1t6r s LYS 44 CO 0.00 -0.24 1.80 0.87 -0.76 0.00 0.00 175.35 177.02 1t6r h LYS 45 N 8.15 0.43 -6.51 1.68 1.57 -1.87 -3.42 116.57 116.60 1t6r h LYS 45 Ca -0.39 -0.13 -0.53 0.00 -1.87 0.00 0.00 60.65 57.73 1t6r h LYS 45 Cb 1.16 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 1t6r h LYS 45 CO 0.60 0.59 0.17 -1.59 -0.57 0.00 0.00 179.45 178.64 1t6r s LYS 46 N -4.66 4.53 -0.11 3.15 0.00 -1.26 -1.24 119.74 120.15 1t6r s LYS 46 Ca -0.07 1.12 0.01 0.00 0.00 0.00 0.00 55.97 57.04 1t6r s LYS 46 Cb 0.15 -3.23 0.02 0.00 0.00 0.00 0.00 37.83 34.76 1t6r s LYS 46 CO 0.77 0.56 -0.14 0.42 0.00 0.00 0.00 175.35 176.97 1t6r s ILE 47 N -1.17 1.40 -0.39 3.79 -1.09 -1.24 -3.76 121.20 118.75 1t6r s ILE 47 Ca 0.36 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 58.17 1t6r s ILE 47 Cb -0.23 -1.31 0.09 0.00 -1.58 0.00 0.00 42.46 39.44 1t6r s ILE 47 CO 0.26 0.42 0.17 -0.69 -1.23 0.00 0.00 174.94 173.87 1t6r s VAL 48 N 1.16 3.46 -0.65 2.92 1.01 -0.25 -1.37 120.40 126.68 1t6r s VAL 48 Ca -0.03 -1.75 -0.25 0.00 0.00 0.00 0.00 61.98 59.95 1t6r s VAL 48 Cb -0.14 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.06 1t6r s VAL 48 CO -0.04 -0.52 1.07 -0.22 0.00 0.00 0.00 175.10 175.39 1t6r s LEU 49 N 1.23 3.89 -0.26 3.92 2.96 -0.01 -1.70 118.68 128.71 1t6r s LEU 49 Ca 0.04 -0.59 -0.25 0.00 -0.22 0.00 0.00 54.13 53.11 1t6r s LEU 49 Cb -0.22 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.85 1t6r s LEU 49 CO -0.02 -1.51 0.84 -0.62 -1.32 0.00 0.00 176.35 173.72 1t6r s ASP 50 N 3.44 6.82 -0.17 3.68 2.15 0.01 -1.53 116.67 131.07 1t6r s ASP 50 Ca 0.29 0.99 0.17 0.00 0.43 0.00 0.00 52.55 54.43 1t6r s ASP 50 Cb -0.13 -2.44 0.51 0.00 -0.30 0.00 0.00 42.92 40.57 1t6r s ASP 50 CO 0.15 -0.55 1.40 0.18 -0.17 0.00 0.00 175.17 176.18 1t6r n LEU 51 N 6.09 3.76 0.26 -1.34 4.77 -0.97 -0.69 117.00 128.88 1t6r n LEU 51 Ca 0.06 -3.03 0.18 0.00 -0.03 0.00 0.00 56.01 53.19 1t6r n LEU 51 Cb 0.48 -0.54 0.88 0.00 -2.33 0.00 0.00 43.42 41.91 1t6r n LEU 51 CO 0.48 0.68 1.15 -1.28 -1.33 0.00 0.00 177.39 177.09 1t6r h SER 52 N 1.65 0.00 -0.01 -1.43 0.87 -1.73 -1.18 113.55 111.72 1t6r h SER 52 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1t6r h SER 52 Cb 1.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1t6r h SER 52 CO 0.20 0.00 -0.37 -1.20 -0.53 0.00 0.00 176.83 174.94 1t6r n SER 53 N -3.30 1.11 -4.79 6.23 7.64 -1.25 -4.86 113.62 114.40 1t6r n SER 53 Ca 0.00 -1.06 -0.38 0.00 1.01 0.00 0.00 58.87 58.45 1t6r n SER 53 Cb 0.34 0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 64.13 1t6r n SER 53 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t6r s VAL 54 N -1.78 5.07 0.00 0.44 1.01 -0.45 -4.38 120.40 120.31 1t6r s VAL 54 Ca 0.08 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1t6r s VAL 54 Cb 0.10 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1t6r s VAL 54 CO 0.38 0.48 0.00 -0.24 0.00 0.00 0.00 175.10 175.72 1t6r n SER 55 N 2.55 1.90 0.00 3.32 2.88 -1.26 -4.58 113.62 118.43 1t6r n SER 55 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1t6r n SER 55 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1t6r n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t6r n TYR 56 N -2.00 0.00 -1.85 0.66 9.36 -1.26 -4.04 117.16 118.03 1t6r n TYR 56 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1t6r n TYR 56 Cb 0.24 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 1t6r n TYR 56 CO 0.00 0.00 0.00 -0.12 0.22 0.00 0.00 176.86 176.96 1t6r n MET 57 N -0.67 -3.65 0.00 2.98 0.00 -0.07 -4.71 117.12 111.00 1t6r n MET 57 Ca 0.00 2.60 0.00 0.00 -0.00 0.00 0.00 57.70 60.30 1t6r n MET 57 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 33.22 30.20 1t6r n MET 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1t6r n ASP 58 N 1.14 0.00 0.00 6.12 2.03 0.12 -4.96 116.55 120.99 1t6r n ASP 58 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1t6r n ASP 58 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.30 -1.67 0.00 -1.26 -3.24 120.51 111.04 1t6r n ALA 60 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1t6r n ALA 60 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 1.39 2.00 0.00 0.00 -1.89 -1.12 103.07 103.44 1t6r h GLY 61 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1t6r h GLY 61 CO 0.00 -0.05 0.00 -2.00 0.00 0.00 0.00 176.54 174.49 1t6r h LEU 62 N 0.60 0.00 0.06 3.11 5.85 -1.92 -2.51 115.31 120.50 1t6r h LEU 62 Ca 0.47 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.83 1t6r h LEU 62 Cb 0.68 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1t6r h LEU 62 CO -0.37 0.00 -2.07 0.61 -0.34 0.00 0.00 178.44 176.26 1t6r n GLY 63 N 0.72 -0.66 0.19 3.75 0.00 -0.92 -4.26 105.19 103.99 1t6r n GLY 63 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1t6r n GLY 63 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1t6r h THR 64 N 0.03 0.57 -0.15 2.61 2.02 -0.88 -0.62 112.91 116.50 1t6r h THR 64 Ca -0.44 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.78 1t6r h THR 64 Cb 2.03 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1t6r h THR 64 CO 0.04 0.00 0.11 -0.07 0.37 0.00 0.00 175.52 175.97 1t6r h LEU 65 N -0.07 0.00 -0.35 2.58 3.38 -1.67 0.54 115.31 119.72 1t6r h LEU 65 Ca 0.16 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1t6r h LEU 65 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1t6r h LEU 65 CO -0.37 0.00 -0.73 0.58 0.09 0.00 0.00 178.44 178.01 1t6r h VAL 66 N 0.00 1.40 0.29 1.22 2.07 -1.35 -1.12 116.25 118.76 1t6r h VAL 66 Ca 0.07 -2.61 -0.01 0.00 0.82 0.00 0.00 66.70 64.96 1t6r h VAL 66 Cb 0.29 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1t6r h VAL 66 CO -0.00 0.72 -0.14 0.58 0.02 0.00 0.00 177.57 178.75 1t6r h VAL 67 N 0.00 0.74 -0.96 2.57 2.07 0.40 -2.91 116.25 118.16 1t6r h VAL 67 Ca -0.01 -0.25 0.12 0.00 0.82 0.00 0.00 66.70 67.38 1t6r h VAL 67 Cb 1.40 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 1t6r h VAL 67 CO 0.10 0.05 0.61 0.40 0.02 0.00 0.00 177.57 178.75 1t6r h ILE 68 N -0.52 0.91 -0.04 4.57 1.08 -0.89 -1.59 117.51 121.03 1t6r h ILE 68 Ca -0.04 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1t6r h ILE 68 Cb 0.39 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.05 1t6r h ILE 68 CO 0.07 0.17 0.01 0.25 -0.69 0.00 0.00 178.15 177.96 1t6r h LEU 69 N 0.91 0.06 -1.45 1.44 5.85 -1.20 -1.05 115.31 119.87 1t6r h LEU 69 Ca 0.47 -0.19 0.15 0.00 0.84 0.00 0.00 57.88 59.15 1t6r h LEU 69 Cb 0.53 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1t6r h LEU 69 CO -0.24 0.23 0.54 0.50 -0.34 0.00 0.00 178.44 179.13 1t6r h LYS 70 N -0.12 0.52 -0.32 1.25 3.64 -1.10 -0.74 116.57 119.70 1t6r h LYS 70 Ca 0.01 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1t6r h LYS 70 Cb 0.19 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1t6r h LYS 70 CO -0.00 0.34 -0.21 0.22 -2.27 0.00 0.00 179.45 177.54 1t6r h ASP 71 N 0.54 0.73 -0.45 4.20 3.58 -0.98 -0.99 116.42 123.05 1t6r h ASP 71 Ca 0.41 -0.43 0.07 0.00 0.42 0.00 0.00 57.03 57.50 1t6r h ASP 71 Cb 0.80 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 1t6r h ASP 71 CO -0.16 1.01 0.09 0.00 -2.88 0.00 0.00 179.24 177.30 1t6r h ALA 72 N 0.75 0.50 -0.08 -0.78 0.00 0.14 0.63 119.26 120.41 1t6r h ALA 72 Ca 0.07 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1t6r h ALA 72 Cb 0.75 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1t6r h ALA 72 CO 0.06 -0.31 -0.64 0.87 0.00 0.00 0.00 179.25 179.23 1t6r h LYS 73 N 0.23 0.31 0.31 0.00 1.79 -1.17 0.26 116.57 118.29 1t6r h LYS 73 Ca 0.22 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1t6r h LYS 73 Cb 0.28 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 1t6r h LYS 73 CO -0.29 0.84 -0.44 0.82 -1.08 0.00 0.00 179.45 179.31 1t6r h ILE 74 N 0.23 0.00 0.00 1.86 2.04 -0.89 -2.46 117.51 118.29 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 1.16 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1t6r h ILE 74 CO 0.10 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.84 1t6r n ASN 75 N -5.03 0.00 -3.00 1.72 3.02 0.19 -4.88 115.26 107.27 1t6r n ASN 75 Ca -0.09 -0.15 -0.13 0.00 -0.03 0.00 0.00 54.58 54.18 1t6r n ASN 75 Cb 0.38 -0.19 0.06 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.16 -0.73 1.74 7.41 0.00 0.59 -5.03 105.19 109.34 1t6r n GLY 76 Ca 0.10 0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 1t6r n GLY 76 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1t6r n LYS 77 N -3.10 0.25 -3.99 1.61 2.85 0.55 -4.99 118.16 111.35 1t6r n LYS 77 Ca -0.10 -1.74 -0.21 0.00 -1.05 0.00 0.00 58.31 55.21 1t6r n LYS 77 Cb 0.61 1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 36.44 1t6r n LYS 77 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1t6r s GLU 78 N -2.67 3.38 -0.26 -1.58 2.02 -0.37 -4.44 118.70 114.77 1t6r s GLU 78 Ca 0.20 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 1t6r s GLU 78 Cb 0.01 -2.85 0.14 0.00 0.10 0.00 0.00 34.13 31.53 1t6r s GLU 78 CO 0.14 0.43 0.40 0.12 0.02 0.00 0.00 175.26 176.37 1t6r s PHE 79 N -1.99 -0.90 0.11 1.61 5.36 -1.26 -3.61 117.98 117.30 1t6r s PHE 79 Ca 0.34 0.79 0.06 0.00 -0.96 0.00 0.00 56.93 57.16 1t6r s PHE 79 Cb -0.09 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.57 1t6r s PHE 79 CO 0.28 -0.78 -0.15 0.42 -1.46 0.00 0.00 175.22 173.53 1t6r s ILE 80 N 2.56 1.35 0.50 3.12 1.01 -0.47 -4.43 121.20 124.84 1t6r s ILE 80 Ca 0.13 -1.58 0.03 0.00 0.00 0.00 0.00 60.65 59.23 1t6r s ILE 80 Cb -0.15 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1t6r s ILE 80 CO -0.19 -0.30 0.12 -0.76 0.00 0.00 0.00 174.94 173.81 1t6r s LEU 81 N -2.17 2.55 0.17 2.97 1.43 -1.22 -0.83 118.68 121.58 1t6r s LEU 81 Ca 0.06 -1.46 -0.24 0.00 -1.03 0.00 0.00 54.13 51.45 1t6r s LEU 81 Cb -0.07 -0.94 0.06 0.00 0.03 0.00 0.00 46.19 45.27 1t6r s LEU 81 CO 0.03 -0.83 0.91 -0.55 0.23 0.00 0.00 176.35 176.13 1t6r s SER 82 N -3.96 -0.21 -1.02 2.29 0.15 -0.58 -1.32 113.70 109.06 1t6r s SER 82 Ca 0.19 -0.42 -0.17 0.00 0.70 0.00 0.00 55.95 56.26 1t6r s SER 82 Cb 0.02 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1t6r s SER 82 CO 0.11 -0.98 0.67 -1.20 1.20 0.00 0.00 173.24 173.05 1t6r n SER 83 N -0.46 -4.89 -4.61 5.45 7.64 -1.21 -2.28 113.62 113.26 1t6r n SER 83 Ca -0.06 -1.04 -0.43 0.00 1.01 0.00 0.00 58.87 58.36 1t6r n SER 83 Cb 0.60 -2.23 -0.02 0.00 -1.01 0.00 0.00 64.21 61.55 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 -6.08 3.67 0.74 -3.43 1.02 -1.26 -2.89 118.68 110.46 1t6r s LEU 84 Ca 0.27 1.24 -0.12 0.00 0.02 0.00 0.00 54.13 55.53 1t6r s LEU 84 Cb -0.13 -3.53 0.04 0.00 0.02 0.00 0.00 46.19 42.59 1t6r s LEU 84 CO 0.91 -1.44 1.10 -0.54 0.02 0.00 0.00 176.35 176.40 1t6r s LYS 85 N 5.03 2.37 0.19 1.70 1.02 -1.26 -4.74 119.74 124.05 1t6r s LYS 85 Ca 0.70 1.27 -0.15 0.00 0.02 0.00 0.00 55.97 57.81 1t6r s LYS 85 Cb -0.20 -1.90 0.17 0.00 -0.52 0.00 0.00 37.83 35.37 1t6r s LYS 85 CO 0.31 -1.57 1.64 1.05 -0.92 0.00 0.00 175.35 175.87 1t6r h GLU 86 N -0.77 -0.01 0.15 1.68 4.11 -1.94 0.17 114.58 117.97 1t6r h GLU 86 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1t6r h GLU 86 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1t6r h GLU 86 CO 0.52 -0.01 -0.09 0.77 0.07 0.00 0.00 179.01 180.27 1t6r h SER 87 N -0.01 -0.23 -0.33 3.06 0.02 -1.93 -2.07 113.55 112.06 1t6r h SER 87 Ca 0.25 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 1t6r h SER 87 Cb 0.39 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 1t6r h SER 87 CO -0.54 -0.14 -0.10 0.40 -1.14 0.00 0.00 176.83 175.31 1t6r h ILE 88 N -0.22 0.62 -0.81 3.27 1.08 -1.60 -0.74 117.51 119.11 1t6r h ILE 88 Ca -0.02 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.55 1t6r h ILE 88 Cb 0.18 0.62 -0.12 0.00 -3.07 0.00 0.00 36.82 34.43 1t6r h ILE 88 CO 0.02 0.00 -0.50 -1.28 -0.69 0.00 0.00 178.15 175.70 1t6r h SER 89 N -0.03 -1.77 -0.18 1.72 0.87 -0.70 -2.25 113.55 111.21 1t6r h SER 89 Ca 0.16 0.29 0.05 0.00 -1.23 0.00 0.00 61.79 61.07 1t6r h SER 89 Cb 0.28 0.81 -0.07 0.00 -0.44 0.00 0.00 62.40 62.98 1t6r h SER 89 CO -0.36 -0.29 -0.28 -0.09 -0.53 0.00 0.00 176.83 175.27 1t6r h ARG 90 N -0.11 -0.32 -0.71 2.24 9.65 -0.39 -1.78 114.38 122.96 1t6r h ARG 90 Ca 0.20 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.22 1t6r h ARG 90 Cb 0.52 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 29.09 1t6r h ARG 90 CO -0.84 -0.21 0.29 0.82 2.80 0.00 0.00 179.97 182.83 1t6r h ILE 91 N -0.33 0.71 -0.22 1.20 2.04 -1.09 0.06 117.51 119.89 1t6r h ILE 91 Ca 0.11 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1t6r h ILE 91 Cb 0.51 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1t6r h ILE 91 CO -0.36 0.08 -0.23 -0.07 0.00 0.00 0.00 178.15 177.57 1t6r h LEU 92 N 0.46 0.39 -0.51 1.44 3.38 -0.77 -1.03 115.31 118.68 1t6r h LEU 92 Ca 0.38 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1t6r h LEU 92 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1t6r h LEU 92 CO -0.36 0.63 -0.33 0.11 0.09 0.00 0.00 178.44 178.58 1t6r h LYS 93 N 0.36 0.00 0.07 1.13 6.56 -0.78 0.15 116.57 124.06 1t6r h LYS 93 Ca 0.06 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1t6r h LYS 93 Cb 0.60 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.25 1t6r h LYS 93 CO 0.04 0.33 -0.09 -0.07 -2.06 0.00 0.00 179.45 177.59 1t6r h LEU 94 N 0.00 -0.27 -1.96 2.94 3.38 0.36 -2.33 115.31 117.44 1t6r h LEU 94 Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1t6r h LEU 94 Cb 1.06 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1t6r h LEU 94 CO 0.04 -0.12 0.05 0.41 0.09 0.00 0.00 178.44 178.92 1t6r n THR 95 N -2.90 1.02 -3.19 0.22 -1.04 -1.22 -4.85 114.28 102.31 1t6r n THR 95 Ca -0.02 -0.43 -0.21 0.00 -2.04 0.00 0.00 64.05 61.35 1t6r n THR 95 Cb 0.08 -0.56 -0.00 0.00 -1.82 0.00 0.00 70.33 68.03 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 0.14 -1.76 0.22 -1.42 8.25 -0.88 -4.84 115.22 114.93 1t6r n HIS 96 Ca 0.10 0.41 0.08 0.00 -0.26 0.00 0.00 57.72 58.05 1t6r n HIS 96 Cb 0.61 -3.06 0.51 0.00 1.12 0.00 0.00 29.99 29.17 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 -0.87 0.00 0.00 2.41 3.38 -0.98 -2.31 115.31 116.94 1t6r h LEU 97 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1t6r h LEU 97 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1t6r h LEU 97 CO 0.50 0.25 0.00 -0.67 0.09 0.00 0.00 178.44 178.61 1t6r n ASP 98 N -3.79 0.00 -0.65 -0.43 2.03 -0.91 -0.50 116.55 112.31 1t6r n ASP 98 Ca -0.01 0.05 0.08 0.00 0.52 0.00 0.00 54.79 55.43 1t6r n ASP 98 Cb 0.35 -0.19 0.07 0.00 -0.72 0.00 0.00 41.12 40.62 1t6r n ASP 98 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1t6r n LYS 99 N -1.19 1.29 0.00 -0.67 2.85 -0.87 -3.72 118.16 115.84 1t6r n LYS 99 Ca 0.04 -1.46 0.00 0.00 -1.05 0.00 0.00 58.31 55.84 1t6r n LYS 99 Cb 0.05 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 0.90 0.00 1.96 0.58 5.41 0.09 -4.60 119.36 123.69 1t6r n ILE 100 Ca 0.09 0.20 0.00 0.00 1.00 0.00 0.00 62.75 64.05 1t6r n ILE 100 Cb 0.41 -1.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 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 -2.38 0.00 -1.30 1.39 3.72 0.34 -4.97 117.46 114.27 1t6r n PHE 101 Ca 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1t6r n PHE 101 Cb 0.00 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -0.48 0.00 -3.62 -1.08 4.81 -1.23 -3.37 118.16 113.19 1t6r n LYS 102 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1t6r n LYS 102 Cb 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.04 1t6r n LYS 102 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1t6r s ILE 103 N 0.00 0.00 0.05 3.15 1.01 -1.26 -4.17 121.20 119.97 1t6r s ILE 103 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1t6r s ILE 103 Cb 0.00 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1t6r s ILE 103 CO 0.00 0.00 -0.04 0.42 0.00 0.00 0.00 174.94 175.32 1t6r s THR 104 N -2.18 0.26 0.06 2.92 -4.23 -0.43 -4.88 115.64 107.15 1t6r s THR 104 Ca 0.11 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 58.89 1t6r s THR 104 Cb 0.00 -1.18 -0.18 0.00 1.34 0.00 0.00 72.50 72.48 1t6r s THR 104 CO -0.03 -0.83 1.24 -0.78 -0.54 0.00 0.00 174.62 173.67 1t6r h ASP 105 N 3.57 0.71 -4.73 3.99 1.82 -1.93 -3.23 116.42 116.62 1t6r h ASP 105 Ca -0.34 -0.65 -0.27 0.00 -0.39 0.00 0.00 57.03 55.38 1t6r h ASP 105 Cb 1.16 -0.21 -0.15 0.00 0.68 0.00 0.00 39.33 40.81 1t6r h ASP 105 CO 0.58 1.25 -0.66 0.42 -1.61 0.00 0.00 179.24 179.23 1t6r s THR 106 N -3.64 0.53 0.45 2.25 -4.23 -1.26 -3.29 115.64 106.45 1t6r s THR 106 Ca -0.12 -1.96 0.17 0.00 -1.18 0.00 0.00 61.69 58.60 1t6r s THR 106 Cb 0.06 -2.13 0.35 0.00 1.34 0.00 0.00 72.50 72.13 1t6r s THR 106 CO 0.85 -0.45 1.96 1.62 -0.54 0.00 0.00 174.62 178.06 1t6r h VAL 107 N 2.72 0.82 0.00 2.29 3.04 -1.96 -0.74 116.25 122.42 1t6r h VAL 107 Ca -0.36 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1t6r h VAL 107 Cb 1.21 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1t6r h VAL 107 CO 0.62 0.06 0.00 -0.62 -1.01 0.00 0.00 177.57 176.61 1t6r n GLU 108 N -4.45 0.07 -0.22 4.17 1.02 -1.26 -1.99 120.64 117.97 1t6r n GLU 108 Ca 0.12 0.22 0.07 0.00 -0.02 0.00 0.00 57.16 57.55 1t6r n GLU 108 Cb 0.49 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.43 2.79 0.00 3.49 -0.58 -0.28 -5.15 120.64 119.47 1t6r n GLU 109 Ca 0.05 -2.19 0.13 0.00 -0.42 0.00 0.00 57.16 54.73 1t6r n GLU 109 Cb 0.15 -1.34 0.36 0.00 -0.57 0.00 0.00 31.44 30.04 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65