#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 0.17 0.00 7.83 2.20 -1.26 -5.01 114.94 118.86 1t6r s ASN 2 Ca 0.00 -0.97 0.04 0.00 -0.94 0.00 0.00 52.86 50.99 1t6r s ASN 2 Cb 0.00 0.36 0.06 0.00 -2.00 0.00 0.00 41.25 39.67 1t6r s ASN 2 CO 0.00 -0.80 0.90 -0.46 -2.94 0.00 0.00 177.10 173.80 1t6r n ASN 3 N -0.14 0.08 -4.66 3.54 6.94 -1.26 -5.12 115.26 114.64 1t6r n ASN 3 Ca -0.08 -1.75 -0.42 0.00 -0.02 0.00 0.00 54.58 52.30 1t6r n ASN 3 Cb 0.63 -0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 37.89 1t6r n ASN 3 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1t6r s LEU 4 N 0.00 4.34 0.28 -4.53 2.96 -1.26 -4.76 118.68 115.71 1t6r s LEU 4 Ca 0.05 2.29 0.08 0.00 -0.22 0.00 0.00 54.13 56.32 1t6r s LEU 4 Cb 0.05 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.15 1t6r s LEU 4 CO -0.02 -0.94 -0.09 -0.54 -1.32 0.00 0.00 176.35 173.44 1t6r s LYS 5 N 4.07 1.56 -0.28 1.98 -0.14 -1.05 -4.97 119.74 120.91 1t6r s LYS 5 Ca 0.75 -1.78 -0.03 0.00 -1.36 0.00 0.00 55.97 53.56 1t6r s LYS 5 Cb -0.34 -1.27 0.11 0.00 -1.68 0.00 0.00 37.83 34.65 1t6r s LYS 5 CO 0.31 0.09 0.19 -0.51 -0.76 0.00 0.00 175.35 174.68 1t6r s LEU 6 N -3.45 0.21 -1.20 3.17 1.43 -1.26 -2.00 118.68 115.58 1t6r s LEU 6 Ca 0.29 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.28 1t6r s LEU 6 Cb 0.02 0.01 0.21 0.00 0.03 0.00 0.00 46.19 46.46 1t6r s LEU 6 CO 0.12 -0.41 1.60 0.47 0.23 0.00 0.00 176.35 178.36 1t6r n ASP 7 N 5.28 5.45 -4.67 2.29 8.00 -0.68 -4.89 116.55 127.32 1t6r n ASP 7 Ca -0.05 -3.13 -0.43 0.00 0.71 0.00 0.00 54.79 51.89 1t6r n ASP 7 Cb 0.44 -1.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.07 1t6r n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1t6r s ILE 8 N -0.16 4.67 0.01 0.53 1.01 -1.26 -2.35 121.20 123.65 1t6r s ILE 8 Ca 0.38 1.98 0.03 0.00 0.00 0.00 0.00 60.65 63.04 1t6r s ILE 8 Cb 0.03 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1t6r s ILE 8 CO 0.02 -0.10 -0.10 -0.69 0.00 0.00 0.00 174.94 174.07 1t6r s VAL 9 N 2.73 0.76 -0.13 2.92 1.01 0.20 -4.99 120.40 122.89 1t6r s VAL 9 Ca 0.47 -0.61 0.20 0.00 0.00 0.00 0.00 61.98 62.04 1t6r s VAL 9 Cb -0.17 -0.67 0.45 0.00 0.00 0.00 0.00 36.38 35.98 1t6r s VAL 9 CO 0.12 0.07 1.17 -0.62 0.00 0.00 0.00 175.10 175.84 1t6r n GLU 10 N 2.46 1.10 -0.41 2.72 1.02 -1.26 -0.68 120.64 125.60 1t6r n GLU 10 Ca -0.16 -2.84 0.04 0.00 -0.02 0.00 0.00 57.16 54.18 1t6r n GLU 10 Cb 0.56 -0.94 0.20 0.00 -0.02 0.00 0.00 31.44 31.23 1t6r n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t6r n GLN 11 N -0.23 2.77 -1.31 3.49 10.64 -1.26 -4.29 117.38 127.18 1t6r n GLN 11 Ca 0.13 -1.53 0.04 0.00 -1.83 0.00 0.00 57.00 53.81 1t6r n GLN 11 Cb 0.95 -1.79 0.05 0.00 -0.86 0.00 0.00 30.24 28.59 1t6r n GLN 11 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1t6r n ASP 12 N 0.36 1.07 0.00 2.61 2.03 -1.26 -4.97 116.55 116.38 1t6r n ASP 12 Ca 0.14 -2.28 0.00 0.00 0.52 0.00 0.00 54.79 53.16 1t6r n ASP 12 Cb 0.66 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1t6r n ASP 12 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1t6r n ASP 13 N 0.23 -3.38 -4.12 1.67 -0.08 -1.26 -4.86 116.55 104.74 1t6r n ASP 13 Ca 0.08 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.27 1t6r n ASP 13 Cb 1.06 -2.44 -0.10 0.00 2.34 0.00 0.00 41.12 41.98 1t6r n ASP 13 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1t6r s LYS 14 N -1.27 0.69 -0.31 -0.67 2.20 -1.26 -4.87 119.74 114.26 1t6r s LYS 14 Ca 0.00 -1.21 -0.05 0.00 -0.36 0.00 0.00 55.97 54.34 1t6r s LYS 14 Cb 0.00 -0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1t6r s LYS 14 CO 0.00 -0.05 0.06 0.00 -0.36 0.00 0.00 175.35 174.99 1t6r s ALA 15 N -3.50 2.97 -0.05 3.13 0.00 -0.29 -4.22 121.76 119.79 1t6r s ALA 15 Ca 0.07 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.44 1t6r s ALA 15 Cb 0.05 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1t6r s ALA 15 CO -0.06 -1.13 -0.16 0.42 0.00 0.00 0.00 175.76 174.83 1t6r s ILE 16 N 1.40 1.36 -0.18 0.00 1.01 0.15 -0.37 121.20 124.57 1t6r s ILE 16 Ca -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1t6r s ILE 16 Cb -0.18 -1.19 0.06 0.00 0.01 0.00 0.00 42.46 41.16 1t6r s ILE 16 CO 0.01 0.40 0.07 0.54 0.00 0.00 0.00 174.94 175.96 1t6r s VAL 17 N 0.27 0.11 -0.64 2.92 0.11 -0.88 -0.63 120.40 121.66 1t6r s VAL 17 Ca -0.08 -0.29 -0.27 0.00 -2.93 0.00 0.00 61.98 58.40 1t6r s VAL 17 Cb -0.13 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1t6r s VAL 17 CO 0.03 -0.26 1.54 -0.13 -3.33 0.00 0.00 175.10 172.95 1t6r s ARG 18 N 2.05 3.01 -0.01 1.54 0.52 -0.99 -0.97 118.95 124.11 1t6r s ARG 18 Ca 0.01 0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 55.21 1t6r s ARG 18 Cb -0.16 -4.24 -0.03 0.00 0.52 0.00 0.00 34.95 31.03 1t6r s ARG 18 CO -0.09 -2.31 0.94 0.08 0.02 0.00 0.00 175.30 173.95 1t6r s VAL 19 N 7.07 4.88 -0.40 3.52 1.01 0.51 -1.69 120.40 135.31 1t6r s VAL 19 Ca 0.52 1.98 0.10 0.00 0.00 0.00 0.00 61.98 64.58 1t6r s VAL 19 Cb -0.11 -4.28 0.34 0.00 0.00 0.00 0.00 36.38 32.33 1t6r s VAL 19 CO 0.20 0.18 0.83 0.00 0.00 0.00 0.00 175.10 176.31 1t6r n GLN 20 N 3.85 0.97 0.00 2.72 6.02 -0.85 -2.93 117.38 127.17 1t6r n GLN 20 Ca 0.05 -2.94 0.00 0.00 -0.01 0.00 0.00 57.00 54.09 1t6r n GLN 20 Cb 0.51 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1t6r n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1t6r n GLY 21 N 0.36 0.90 3.53 1.08 0.00 -1.26 -2.52 105.19 107.28 1t6r n GLY 21 Ca 0.19 0.50 -0.43 0.00 0.00 0.00 0.00 46.02 46.29 1t6r n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t6r n ASP 22 N 0.00 2.30 -4.55 1.61 5.75 -1.26 -4.86 116.55 115.53 1t6r n ASP 22 Ca 0.00 0.01 -0.41 0.00 -0.01 0.00 0.00 54.79 54.38 1t6r n ASP 22 Cb 0.00 -1.42 -0.03 0.00 -1.03 0.00 0.00 41.12 38.64 1t6r n ASP 22 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1t6r s ILE 23 N 9.46 3.94 0.11 2.12 1.01 0.40 -4.59 121.20 133.65 1t6r s ILE 23 Ca 1.06 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 61.13 1t6r s ILE 23 Cb -0.53 -5.01 -0.00 0.00 0.01 0.00 0.00 42.46 36.93 1t6r s ILE 23 CO 0.38 -1.89 0.04 -0.67 0.00 0.00 0.00 174.94 172.79 1t6r n ASP 24 N 8.81 1.13 0.00 3.58 2.03 -1.26 -1.46 116.55 129.37 1t6r n ASP 24 Ca 0.26 -1.60 0.00 0.00 0.52 0.00 0.00 54.79 53.98 1t6r n ASP 24 Cb 0.50 0.27 0.02 0.00 -0.72 0.00 0.00 41.12 41.19 1t6r n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t6r n ALA 25 N -2.48 1.46 1.32 -1.67 0.00 -1.26 0.17 120.51 118.05 1t6r n ALA 25 Ca -0.04 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1t6r n ALA 25 Cb 0.17 -1.01 0.38 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.07 0.00 0.00 0.00 4.01 -1.26 -4.57 117.16 114.27 1t6r n TYR 26 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1t6r n TYR 26 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 0.28 0.00 -0.36 7.72 3.02 -0.04 -4.79 115.26 121.10 1t6r n ASN 27 Ca 0.16 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.80 1t6r n ASN 27 Cb 0.41 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.85 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 0.89 0.29 6.41 0.02 -0.55 0.42 113.55 121.03 1t6r h SER 28 Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1t6r h SER 28 Cb 0.00 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 1t6r h SER 28 CO 0.00 0.43 -0.03 0.28 -1.14 0.00 0.00 176.83 176.37 1t6r h SER 29 N 0.93 0.00 0.00 3.07 0.02 -1.81 0.91 113.55 116.67 1t6r h SER 29 Ca 0.52 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.39 1t6r h SER 29 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1t6r h SER 29 CO -0.30 0.03 -1.27 -1.84 -1.14 0.00 0.00 176.83 172.31 1t6r n GLU 30 N -3.33 0.11 -0.35 3.45 0.00 -0.82 -4.13 120.64 115.58 1t6r n GLU 30 Ca -0.02 0.03 0.29 0.00 0.00 0.00 0.00 57.16 57.46 1t6r n GLU 30 Cb 0.16 -0.93 0.55 0.00 0.00 0.00 0.00 31.44 31.21 1t6r n GLU 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1t6r h LEU 31 N -0.07 0.40 -0.09 -1.84 5.85 -0.23 0.55 115.31 119.89 1t6r h LEU 31 Ca -0.11 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1t6r h LEU 31 Cb 1.14 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 1t6r h LEU 31 CO -0.04 -0.24 -0.00 0.50 -0.34 0.00 0.00 178.44 178.32 1t6r h LYS 32 N 0.17 0.15 -0.04 1.25 3.11 -0.99 0.30 116.57 120.53 1t6r h LYS 32 Ca 0.79 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 58.49 1t6r h LYS 32 Cb 2.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.23 1t6r h LYS 32 CO -0.62 0.42 -0.40 1.05 -2.81 0.00 0.00 179.45 177.09 1t6r h GLU 33 N -0.13 0.08 0.13 1.90 4.11 -1.27 -2.24 114.58 117.17 1t6r h GLU 33 Ca 0.02 -0.03 -0.30 0.00 0.07 0.00 0.00 59.36 59.12 1t6r h GLU 33 Cb 0.35 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1t6r h GLU 33 CO 0.00 0.47 -1.48 1.96 0.07 0.00 0.00 179.01 180.04 1t6r h GLN 34 N 0.07 0.28 -0.22 1.06 4.20 -0.82 -1.21 115.11 118.46 1t6r h GLN 34 Ca 0.00 -0.47 -0.09 0.00 0.06 0.00 0.00 58.65 58.15 1t6r h GLN 34 Cb 0.74 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1t6r h GLN 34 CO 0.05 1.16 -0.26 -0.07 -0.67 0.00 0.00 178.83 179.05 1t6r h LEU 35 N 0.08 0.43 -0.19 1.46 -0.00 -0.94 0.20 115.31 116.33 1t6r h LEU 35 Ca -0.22 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 57.50 1t6r h LEU 35 Cb 2.02 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 42.55 1t6r h LEU 35 CO 0.18 0.69 0.05 0.03 -0.00 0.00 0.00 178.44 179.39 1t6r h ARG 36 N 0.38 0.31 -0.30 1.13 3.08 -1.32 -1.28 114.38 116.37 1t6r h ARG 36 Ca 0.06 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1t6r h ARG 36 Cb 0.66 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 1t6r h ARG 36 CO 0.05 0.43 -0.22 -0.97 -1.07 0.00 0.00 179.97 178.18 1t6r h ASN 37 N 0.13 -0.74 -0.17 7.04 -0.73 -0.97 -1.75 115.58 118.41 1t6r h ASN 37 Ca 0.06 0.14 0.04 0.00 1.87 0.00 0.00 56.30 58.42 1t6r h ASN 37 Cb 0.25 0.36 -0.07 0.00 0.27 0.00 0.00 38.32 39.14 1t6r h ASN 37 CO -0.00 -0.26 -0.48 0.15 -0.37 0.00 0.00 177.43 176.47 1t6r h PHE 38 N -0.20 -1.40 -0.22 0.67 3.57 -0.55 0.12 116.94 118.93 1t6r h PHE 38 Ca 0.16 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.75 1t6r h PHE 38 Cb 0.44 0.64 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1t6r h PHE 38 CO -0.41 -0.51 0.15 0.82 -2.23 0.00 0.00 178.31 176.13 1t6r h ILE 39 N -0.52 0.96 0.17 1.41 2.04 -0.57 0.81 117.51 121.81 1t6r h ILE 39 Ca 0.06 -0.04 -0.23 0.00 1.00 0.00 0.00 64.86 65.66 1t6r h ILE 39 Cb 0.65 0.82 0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1t6r h ILE 39 CO -0.44 0.02 -1.00 -1.28 0.00 0.00 0.00 178.15 175.45 1t6r h SER 40 N 0.12 0.55 0.96 1.72 0.87 -0.59 -3.39 113.55 113.79 1t6r h SER 40 Ca 0.10 -0.94 -0.20 0.00 -1.23 0.00 0.00 61.79 59.51 1t6r h SER 40 Cb 0.23 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1t6r h SER 40 CO -0.01 1.48 -1.09 0.00 -0.53 0.00 0.00 176.83 176.67 1t6r h THR 41 N -0.25 1.23 -3.76 2.23 1.03 -0.09 -3.44 112.91 109.86 1t6r h THR 41 Ca -0.18 -2.87 -0.53 0.00 -0.01 0.00 0.00 66.41 62.82 1t6r h THR 41 Cb 1.77 2.58 0.07 0.00 -1.07 0.00 0.00 68.15 71.50 1t6r h THR 41 CO 0.18 0.70 0.69 0.28 -0.01 0.00 0.00 175.52 177.36 1t6r s THR 42 N -2.76 2.58 -0.79 0.00 -1.32 0.22 -4.94 115.64 108.63 1t6r s THR 42 Ca -0.00 0.56 0.22 0.00 -1.21 0.00 0.00 61.69 61.26 1t6r s THR 42 Cb 0.09 -3.36 -0.22 0.00 -1.51 0.00 0.00 72.50 67.50 1t6r s THR 42 CO 0.81 0.12 0.87 -0.24 -2.21 0.00 0.00 174.62 173.97 1t6r n SER 43 N 1.14 0.76 -4.81 8.08 2.88 -1.26 -4.93 113.62 115.48 1t6r n SER 43 Ca 0.02 -0.70 -0.35 0.00 -1.33 0.00 0.00 58.87 56.51 1t6r n SER 43 Cb 0.41 1.10 -0.07 0.00 -0.75 0.00 0.00 64.21 64.90 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 -3.11 4.36 -0.04 -1.46 -0.14 -1.26 -4.96 119.74 113.13 1t6r s LYS 44 Ca 0.05 1.17 0.12 0.00 -1.36 0.00 0.00 55.97 55.96 1t6r s LYS 44 Cb 0.16 -2.44 0.42 0.00 -1.68 0.00 0.00 37.83 34.28 1t6r s LYS 44 CO 0.86 0.11 1.31 1.63 -0.76 0.00 0.00 175.35 178.49 1t6r n LYS 45 N -0.14 2.37 -3.93 1.68 5.02 -1.26 -4.75 118.16 117.14 1t6r n LYS 45 Ca 0.05 -1.67 -0.31 0.00 -2.02 0.00 0.00 58.31 54.36 1t6r n LYS 45 Cb 0.52 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.88 1t6r n LYS 45 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1t6r s LYS 46 N -1.57 1.43 -0.11 1.97 0.00 -1.26 -0.64 119.74 119.55 1t6r s LYS 46 Ca 0.30 -1.33 -0.03 0.00 0.00 0.00 0.00 55.97 54.91 1t6r s LYS 46 Cb 0.18 -2.69 -0.03 0.00 0.00 0.00 0.00 37.83 35.28 1t6r s LYS 46 CO 0.17 -0.79 0.00 0.42 0.00 0.00 0.00 175.35 175.16 1t6r s ILE 47 N 1.25 4.30 -0.31 3.79 1.09 -0.81 -1.14 121.20 129.37 1t6r s ILE 47 Ca 0.03 -0.24 -0.01 0.00 -1.10 0.00 0.00 60.65 59.33 1t6r s ILE 47 Cb -0.19 -2.84 0.10 0.00 -1.06 0.00 0.00 42.46 38.47 1t6r s ILE 47 CO -0.11 0.57 0.09 -0.69 -0.10 0.00 0.00 174.94 174.70 1t6r s VAL 48 N -0.48 0.96 -0.48 2.92 1.01 0.50 -1.73 120.40 123.10 1t6r s VAL 48 Ca 0.09 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 60.35 1t6r s VAL 48 Cb -0.12 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.58 1t6r s VAL 48 CO 0.02 -0.65 1.15 -0.22 0.00 0.00 0.00 175.10 175.40 1t6r s LEU 49 N 1.58 3.63 -0.20 3.92 2.96 0.34 -2.08 118.68 128.82 1t6r s LEU 49 Ca 0.09 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.25 1t6r s LEU 49 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1t6r s LEU 49 CO -0.24 -1.27 0.63 -0.62 -1.32 0.00 0.00 176.35 173.54 1t6r s ASP 50 N 2.50 6.68 -0.33 3.68 -1.08 -0.14 -0.31 116.67 127.67 1t6r s ASP 50 Ca 0.48 0.83 0.07 0.00 -0.52 0.00 0.00 52.55 53.41 1t6r s ASP 50 Cb -0.07 -2.35 0.47 0.00 -1.46 0.00 0.00 42.92 39.51 1t6r s ASP 50 CO 0.32 -0.28 1.39 0.18 0.52 0.00 0.00 175.17 177.29 1t6r n LEU 51 N 5.11 4.68 -0.01 -1.34 7.99 -0.36 -0.36 117.00 132.71 1t6r n LEU 51 Ca -0.01 -4.27 0.03 0.00 -0.01 0.00 0.00 56.01 51.75 1t6r n LEU 51 Cb 0.50 -0.54 0.39 0.00 -0.11 0.00 0.00 43.42 43.66 1t6r n LEU 51 CO 0.44 1.66 1.12 -1.28 -1.51 0.00 0.00 177.39 177.83 1t6r h SER 52 N 1.61 0.49 0.12 -1.43 0.87 -1.77 -3.24 113.55 110.20 1t6r h SER 52 Ca 0.30 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1t6r h SER 52 Cb 1.40 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1t6r h SER 52 CO 0.63 0.40 -1.23 -1.20 -0.53 0.00 0.00 176.83 174.90 1t6r n SER 53 N -4.44 0.64 -2.40 6.23 7.64 -1.21 -4.91 113.62 115.17 1t6r n SER 53 Ca 0.03 -0.54 -0.03 0.00 1.01 0.00 0.00 58.87 59.34 1t6r n SER 53 Cb 0.09 1.17 0.02 0.00 -1.01 0.00 0.00 64.21 64.48 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 -1.79 0.00 0.00 0.44 3.14 -1.15 -4.54 118.33 114.43 1t6r n VAL 54 Ca 0.02 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1t6r n VAL 54 Cb 0.41 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 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 -3.13 0.00 -4.81 6.55 7.64 -1.26 -4.99 113.62 113.62 1t6r n SER 55 Ca 0.02 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.51 1t6r n SER 55 Cb 0.06 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.18 3.74 -0.27 1.43 6.14 -1.26 -4.64 117.35 121.31 1t6r s TYR 56 Ca 0.00 1.12 -0.00 0.00 0.64 0.00 0.00 57.07 58.83 1t6r s TYR 56 Cb 0.00 -2.43 0.14 0.00 0.42 0.00 0.00 41.96 40.10 1t6r s TYR 56 CO 0.00 0.56 0.38 1.41 0.64 0.00 0.00 175.55 178.53 1t6r s MET 57 N -0.87 0.37 0.00 4.97 1.75 -1.23 -0.45 119.30 123.84 1t6r s MET 57 Ca 0.27 0.26 0.00 0.00 -1.25 0.00 0.00 55.69 54.97 1t6r s MET 57 Cb -0.18 -0.44 0.00 0.00 2.84 0.00 0.00 34.83 37.05 1t6r s MET 57 CO 0.16 -0.86 0.00 -3.47 -0.65 0.00 0.00 175.02 170.19 1t6r n ASP 58 N 5.35 0.00 0.00 1.11 2.03 -0.54 -4.86 116.55 119.64 1t6r n ASP 58 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1t6r n ASP 58 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.07 -1.67 0.00 -1.26 -1.29 120.51 113.21 1t6r n ALA 60 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1t6r n ALA 60 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 0.83 0.67 0.00 0.00 -1.90 -2.00 103.07 100.68 1t6r h GLY 61 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1t6r h GLY 61 CO 0.00 0.73 -0.10 -2.00 0.00 0.00 0.00 176.54 175.17 1t6r h LEU 62 N 0.64 -0.24 -1.82 3.11 5.85 -1.53 -2.73 115.31 118.59 1t6r h LEU 62 Ca 0.06 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1t6r h LEU 62 Cb 0.89 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1t6r h LEU 62 CO 0.08 0.11 -0.10 1.23 -0.34 0.00 0.00 178.44 179.42 1t6r h GLY 63 N -0.62 0.00 0.62 3.75 0.00 -1.84 -2.84 103.07 102.13 1t6r h GLY 63 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.35 1t6r h GLY 63 CO 0.05 0.00 0.05 -0.84 0.00 0.00 0.00 176.54 175.80 1t6r h THR 64 N 0.00 0.84 -0.92 4.70 2.02 -1.04 -0.37 112.91 118.14 1t6r h THR 64 Ca -0.00 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1t6r h THR 64 Cb 0.17 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1t6r h THR 64 CO 0.01 0.03 0.60 -0.07 0.37 0.00 0.00 175.52 176.46 1t6r h LEU 65 N 0.16 1.07 -1.18 2.58 3.38 -1.42 0.19 115.31 120.09 1t6r h LEU 65 Ca 0.14 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1t6r h LEU 65 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1t6r h LEU 65 CO -0.20 0.79 0.00 0.58 0.09 0.00 0.00 178.44 179.70 1t6r h VAL 66 N 1.26 1.20 0.43 1.22 2.07 -1.44 -1.04 116.25 119.95 1t6r h VAL 66 Ca 0.34 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1t6r h VAL 66 Cb -0.13 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1t6r h VAL 66 CO -0.07 0.28 -0.21 0.58 0.02 0.00 0.00 177.57 178.17 1t6r h VAL 67 N 0.54 0.57 -0.79 2.57 2.07 0.45 -2.91 116.25 118.76 1t6r h VAL 67 Ca 0.11 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1t6r h VAL 67 Cb 0.34 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1t6r h VAL 67 CO 0.01 0.03 0.48 0.40 0.02 0.00 0.00 177.57 178.51 1t6r h ILE 68 N -0.67 1.06 -0.80 4.57 1.08 -0.36 0.26 117.51 122.65 1t6r h ILE 68 Ca -0.06 -0.31 0.13 0.00 -0.39 0.00 0.00 64.86 64.23 1t6r h ILE 68 Cb 0.49 0.07 -0.09 0.00 -3.07 0.00 0.00 36.82 34.22 1t6r h ILE 68 CO 0.10 0.17 0.40 0.25 -0.69 0.00 0.00 178.15 178.37 1t6r h LEU 69 N 0.91 0.48 -1.95 1.44 5.85 -1.25 -0.21 115.31 120.60 1t6r h LEU 69 Ca 0.33 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.26 1t6r h LEU 69 Cb 0.11 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1t6r h LEU 69 CO -0.15 0.22 0.33 0.50 -0.34 0.00 0.00 178.44 179.01 1t6r h LYS 70 N 0.60 0.05 0.10 1.25 3.64 -0.73 -1.60 116.57 119.88 1t6r h LYS 70 Ca 0.43 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.47 1t6r h LYS 70 Cb 0.57 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1t6r h LYS 70 CO -0.34 0.04 -1.79 0.22 -2.27 0.00 0.00 179.45 175.31 1t6r h ASP 71 N 0.06 0.33 -0.56 4.20 3.58 -0.98 -3.36 116.42 119.69 1t6r h ASP 71 Ca 0.22 -0.62 0.10 0.00 0.42 0.00 0.00 57.03 57.15 1t6r h ASP 71 Cb 0.81 -0.11 -0.11 0.00 1.72 0.00 0.00 39.33 41.64 1t6r h ASP 71 CO -0.01 1.54 -0.37 0.00 -2.88 0.00 0.00 179.24 177.52 1t6r h ALA 72 N 0.41 -0.16 -0.44 -0.78 0.00 -0.28 -0.33 119.26 117.67 1t6r h ALA 72 Ca -0.34 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1t6r h ALA 72 Cb 2.03 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 20.64 1t6r h ALA 72 CO 0.11 -0.74 -0.15 0.87 0.00 0.00 0.00 179.25 179.35 1t6r h LYS 73 N -0.20 0.83 0.31 0.00 1.79 -1.54 0.12 116.57 117.88 1t6r h LYS 73 Ca 0.21 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1t6r h LYS 73 Cb 0.56 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1t6r h LYS 73 CO -0.67 0.93 -0.51 0.82 -1.08 0.00 0.00 179.45 178.94 1t6r h ILE 74 N 0.74 0.00 0.00 1.86 2.04 -1.65 -2.56 117.51 117.94 1t6r h ILE 74 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1t6r h ILE 74 Cb 0.66 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1t6r h ILE 74 CO 0.05 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.79 1t6r n ASN 75 N -5.44 0.00 0.00 1.72 3.02 -0.15 -4.83 115.26 109.58 1t6r n ASN 75 Ca -0.10 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1t6r n ASN 75 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 0.14 0.78 3.25 7.41 0.00 0.08 -5.00 105.19 111.85 1t6r n GLY 76 Ca 0.13 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.48 1.06 0.29 1.61 -2.85 0.18 -4.90 119.74 112.65 1t6r s LYS 77 Ca 0.00 -1.35 -0.11 0.00 -1.00 0.00 0.00 55.97 53.51 1t6r s LYS 77 Cb 0.00 -0.80 -0.07 0.00 -2.06 0.00 0.00 37.83 34.90 1t6r s LYS 77 CO 0.00 0.13 0.64 -1.21 0.10 0.00 0.00 175.35 175.01 1t6r s GLU 78 N -3.20 3.84 -0.34 1.78 0.41 0.18 -4.07 118.70 117.30 1t6r s GLU 78 Ca 0.13 0.40 0.01 0.00 -0.41 0.00 0.00 54.97 55.10 1t6r s GLU 78 Cb -0.01 -2.54 0.14 0.00 -1.78 0.00 0.00 34.13 29.94 1t6r s GLU 78 CO 0.02 0.21 0.31 0.12 -0.49 0.00 0.00 175.26 175.43 1t6r s PHE 79 N -1.98 -0.11 0.16 1.61 5.36 -1.26 -1.93 117.98 119.83 1t6r s PHE 79 Ca 0.50 -0.81 0.08 0.00 -0.96 0.00 0.00 56.93 55.74 1t6r s PHE 79 Cb -0.11 -0.55 -0.04 0.00 -0.34 0.00 0.00 43.02 41.99 1t6r s PHE 79 CO 0.22 -0.92 -0.18 0.42 -1.46 0.00 0.00 175.22 173.30 1t6r s ILE 80 N 1.64 1.80 0.41 3.12 1.01 -0.70 -4.56 121.20 123.91 1t6r s ILE 80 Ca 0.15 -1.91 0.07 0.00 0.00 0.00 0.00 60.65 58.96 1t6r s ILE 80 Cb -0.16 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 1t6r s ILE 80 CO -0.12 -0.32 0.06 -0.76 0.00 0.00 0.00 174.94 173.79 1t6r s LEU 81 N -2.65 2.93 0.13 2.97 1.43 -1.22 -0.51 118.68 121.76 1t6r s LEU 81 Ca 0.15 -1.30 -0.24 0.00 -1.03 0.00 0.00 54.13 51.71 1t6r s LEU 81 Cb -0.06 -1.04 0.07 0.00 0.03 0.00 0.00 46.19 45.20 1t6r s LEU 81 CO 0.06 -0.49 0.72 -0.55 0.23 0.00 0.00 176.35 176.33 1t6r s SER 82 N -3.77 -0.45 -1.19 2.29 0.15 0.57 -1.02 113.70 110.28 1t6r s SER 82 Ca 0.36 -0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.87 1t6r s SER 82 Cb 0.08 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.92 1t6r s SER 82 CO 0.19 -0.92 0.86 -1.20 1.20 0.00 0.00 173.24 173.37 1t6r n SER 83 N -0.36 -3.15 -4.64 5.45 7.64 -1.23 -1.22 113.62 116.10 1t6r n SER 83 Ca -0.12 -0.75 -0.43 0.00 1.01 0.00 0.00 58.87 58.58 1t6r n SER 83 Cb 0.63 -4.61 -0.03 0.00 -1.01 0.00 0.00 64.21 59.20 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 -6.25 4.06 0.76 -3.43 2.01 -1.26 -3.46 118.68 111.11 1t6r s LEU 84 Ca 0.16 1.82 -0.12 0.00 0.01 0.00 0.00 54.13 56.00 1t6r s LEU 84 Cb -0.03 -3.53 0.05 0.00 0.01 0.00 0.00 46.19 42.68 1t6r s LEU 84 CO 0.77 -1.10 1.12 -0.54 1.01 0.00 0.00 176.35 177.61 1t6r s LYS 85 N 4.35 2.38 0.15 1.70 1.02 -1.26 -4.72 119.74 123.35 1t6r s LYS 85 Ca 0.70 0.40 -0.27 0.00 0.02 0.00 0.00 55.97 56.82 1t6r s LYS 85 Cb -0.27 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1t6r s LYS 85 CO 0.28 -1.36 1.58 0.93 -0.92 0.00 0.00 175.35 175.85 1t6r h GLU 86 N -0.89 -0.37 0.30 1.68 5.08 -1.99 0.26 114.58 118.64 1t6r h GLU 86 Ca -0.46 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1t6r h GLU 86 Cb 1.28 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1t6r h GLU 86 CO 0.63 -0.25 -0.23 1.03 -1.00 0.00 0.00 179.01 179.20 1t6r h SER 87 N -0.38 -0.60 0.16 1.42 0.87 -1.94 -2.82 113.55 110.25 1t6r h SER 87 Ca 0.12 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1t6r h SER 87 Cb 0.59 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.70 1t6r h SER 87 CO -0.50 -0.32 -0.32 0.40 -0.53 0.00 0.00 176.83 175.55 1t6r h ILE 88 N -0.51 0.31 -0.73 2.23 1.08 -1.76 -0.99 117.51 117.16 1t6r h ILE 88 Ca -0.04 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.55 1t6r h ILE 88 Cb 0.42 0.31 -0.13 0.00 -3.07 0.00 0.00 36.82 34.35 1t6r h ILE 88 CO 0.01 0.00 -0.35 -1.28 -0.69 0.00 0.00 178.15 175.84 1t6r h SER 89 N -0.58 -1.23 -0.19 1.72 0.87 -0.56 0.11 113.55 113.70 1t6r h SER 89 Ca 0.02 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1t6r h SER 89 Cb 0.59 0.63 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1t6r h SER 89 CO -0.16 -0.30 0.12 -0.09 -0.53 0.00 0.00 176.83 175.87 1t6r h ARG 90 N -0.10 0.25 -0.94 2.24 2.43 -1.12 -2.27 114.38 114.86 1t6r h ARG 90 Ca 0.28 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 1t6r h ARG 90 Cb 0.57 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.00 1t6r h ARG 90 CO -0.79 0.16 0.60 0.82 -1.51 0.00 0.00 179.97 179.26 1t6r h ILE 91 N 0.25 1.02 -0.63 1.20 2.04 0.36 -0.08 117.51 121.68 1t6r h ILE 91 Ca 0.07 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1t6r h ILE 91 Cb -0.03 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 35.94 1t6r h ILE 91 CO -0.02 0.19 0.17 -0.07 0.00 0.00 0.00 178.15 178.42 1t6r h LEU 92 N 1.02 0.95 -1.72 1.44 -0.00 -0.43 -2.09 115.31 114.47 1t6r h LEU 92 Ca 0.42 -0.22 -0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1t6r h LEU 92 Cb 0.29 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1t6r h LEU 92 CO -0.18 0.92 -0.09 0.11 -0.00 0.00 0.00 178.44 179.21 1t6r h LYS 93 N 0.92 0.06 0.37 1.13 6.56 -0.62 0.86 116.57 125.85 1t6r h LYS 93 Ca 0.20 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.78 1t6r h LYS 93 Cb 0.33 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.96 1t6r h LYS 93 CO -0.00 0.16 -0.49 -0.07 -2.06 0.00 0.00 179.45 176.98 1t6r h LEU 94 N 0.06 -1.39 -2.53 2.94 3.38 -0.33 -0.66 115.31 116.78 1t6r h LEU 94 Ca 0.01 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1t6r h LEU 94 Cb 0.20 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1t6r h LEU 94 CO 0.01 -0.61 0.09 0.41 0.09 0.00 0.00 178.44 178.43 1t6r n THR 95 N -5.36 1.64 -3.35 0.22 -1.04 -1.25 -4.88 114.28 100.26 1t6r n THR 95 Ca -0.10 -0.81 -0.22 0.00 -2.04 0.00 0.00 64.05 60.88 1t6r n THR 95 Cb 0.43 -0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 68.45 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 0.15 -1.71 0.29 -1.42 8.25 -0.25 -4.83 115.22 115.70 1t6r n HIS 96 Ca 0.19 0.40 0.15 0.00 -0.26 0.00 0.00 57.72 58.20 1t6r n HIS 96 Cb 0.85 -2.48 0.87 0.00 1.12 0.00 0.00 29.99 30.35 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 -0.75 0.00 -2.36 2.41 3.38 -1.06 -2.52 115.31 114.41 1t6r h LEU 97 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1t6r h LEU 97 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1t6r h LEU 97 CO 0.49 0.05 0.08 -2.24 0.09 0.00 0.00 178.44 176.92 1t6r h ASP 98 N 0.00 0.00 0.00 -0.43 2.03 -1.74 0.12 116.42 116.40 1t6r h ASP 98 Ca -0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.23 1t6r h ASP 98 Cb 0.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.67 1t6r h ASP 98 CO 0.01 0.00 -1.98 2.29 -1.03 0.00 0.00 179.24 178.52 1t6r n LYS 99 N -2.81 0.67 -0.00 4.15 2.85 -0.95 -3.20 118.16 118.87 1t6r n LYS 99 Ca -0.02 -0.15 -0.17 0.00 -1.05 0.00 0.00 58.31 56.92 1t6r n LYS 99 Cb 0.14 -1.48 -0.11 0.00 -0.65 0.00 0.00 35.03 32.93 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 0.00 1.45 -0.17 0.58 2.04 -1.25 -3.35 117.51 116.82 1t6r h ILE 100 Ca -0.10 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1t6r h ILE 100 Cb 1.15 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.83 1t6r h ILE 100 CO 0.01 0.59 0.00 0.49 0.00 0.00 0.00 178.15 179.23 1t6r n PHE 101 N -4.28 0.38 -2.74 1.37 3.72 0.28 -5.02 117.46 111.18 1t6r n PHE 101 Ca -0.10 -0.71 0.00 0.00 -0.05 0.00 0.00 57.45 56.59 1t6r n PHE 101 Cb 0.63 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 -0.43 0.00 -3.51 -1.08 4.81 -1.19 -3.45 118.16 113.30 1t6r n LYS 102 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.48 1t6r n LYS 102 Cb 0.56 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.59 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 -0.02 3.15 1.01 -1.26 -4.43 121.20 119.65 1t6r s ILE 103 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1t6r s ILE 103 Cb 0.00 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.38 1t6r s ILE 103 CO 0.00 0.00 0.02 0.42 0.00 0.00 0.00 174.94 175.38 1t6r s THR 104 N -3.31 -0.00 0.40 2.92 -4.23 -0.19 -4.91 115.64 106.31 1t6r s THR 104 Ca 0.05 0.16 0.12 0.00 -1.18 0.00 0.00 61.69 60.84 1t6r s THR 104 Cb -0.01 -0.11 0.15 0.00 1.34 0.00 0.00 72.50 73.87 1t6r s THR 104 CO -0.09 0.09 1.92 0.44 -0.54 0.00 0.00 174.62 176.44 1t6r h ASP 105 N 7.13 0.08 -5.68 3.99 3.32 -1.90 -3.26 116.42 120.10 1t6r h ASP 105 Ca -0.42 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.28 1t6r h ASP 105 Cb 1.13 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.54 1t6r h ASP 105 CO 0.48 0.31 -0.47 0.42 -1.72 0.00 0.00 179.24 178.26 1t6r s THR 106 N -4.54 0.00 0.47 0.35 -4.23 -1.26 -3.75 115.64 102.67 1t6r s THR 106 Ca -0.04 -1.90 0.12 0.00 -1.18 0.00 0.00 61.69 58.69 1t6r s THR 106 Cb 0.15 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.76 1t6r s THR 106 CO 0.72 0.00 2.11 1.62 -0.54 0.00 0.00 174.62 178.52 1t6r h VAL 107 N 2.33 1.05 0.00 2.29 3.04 -1.98 -1.89 116.25 121.09 1t6r h VAL 107 Ca -0.30 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.28 1t6r h VAL 107 Cb 1.24 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1t6r h VAL 107 CO 0.43 0.05 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.62 1t6r h GLU 108 N 0.27 0.00 -0.20 4.17 4.39 -1.98 -1.90 114.58 119.33 1t6r h GLU 108 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1t6r h GLU 108 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1t6r h GLU 108 CO -0.02 0.09 0.00 -1.91 -1.16 0.00 0.00 179.01 176.02 1t6r n GLU 109 N -3.33 1.65 0.00 2.33 2.13 -0.71 -5.12 120.64 117.58 1t6r n GLU 109 Ca -0.01 -0.98 0.04 0.00 0.66 0.00 0.00 57.16 56.87 1t6r n GLU 109 Cb 0.28 -1.33 0.04 0.00 0.27 0.00 0.00 31.44 30.70 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72