#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 0.21 0.15 3.17 4.22 -1.26 -5.18 114.94 116.26 1t6r s ASN 2 Ca 0.00 -1.20 -0.23 0.00 -2.14 0.00 0.00 52.86 49.29 1t6r s ASN 2 Cb 0.00 0.35 0.07 0.00 1.28 0.00 0.00 41.25 42.95 1t6r s ASN 2 CO 0.00 -0.80 0.61 0.21 -2.04 0.00 0.00 177.10 175.08 1t6r s ASN 3 N -3.07 -0.57 -0.06 3.54 2.47 -1.26 -5.18 114.94 110.82 1t6r s ASN 3 Ca 0.27 0.01 -0.02 0.00 0.42 0.00 0.00 52.86 53.54 1t6r s ASN 3 Cb 0.06 0.60 -0.04 0.00 -1.45 0.00 0.00 41.25 40.42 1t6r s ASN 3 CO 0.05 -0.96 0.05 -0.22 -3.72 0.00 0.00 177.10 172.29 1t6r s LEU 4 N -2.72 3.79 0.13 3.21 2.96 -1.26 -4.50 118.68 120.29 1t6r s LEU 4 Ca 0.01 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1t6r s LEU 4 Cb -0.01 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1t6r s LEU 4 CO -0.13 0.34 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.69 1t6r s LYS 5 N -1.25 0.95 -0.32 1.98 1.02 0.07 -5.02 119.74 117.18 1t6r s LYS 5 Ca 0.17 -1.43 -0.02 0.00 0.02 0.00 0.00 55.97 54.72 1t6r s LYS 5 Cb -0.12 -0.12 0.12 0.00 -0.52 0.00 0.00 37.83 37.20 1t6r s LYS 5 CO 0.07 -0.11 0.20 -0.51 -0.92 0.00 0.00 175.35 174.08 1t6r s LEU 6 N -3.09 0.49 -0.81 3.17 1.43 -1.26 -1.90 118.68 116.71 1t6r s LEU 6 Ca 0.19 -1.51 -0.18 0.00 -1.03 0.00 0.00 54.13 51.59 1t6r s LEU 6 Cb 0.06 -0.14 0.14 0.00 0.03 0.00 0.00 46.19 46.28 1t6r s LEU 6 CO -0.00 -0.37 0.95 -0.62 0.23 0.00 0.00 176.35 176.53 1t6r s ASP 7 N 1.76 6.52 -0.22 2.29 2.15 -0.44 -4.91 116.67 123.83 1t6r s ASP 7 Ca 0.13 -1.96 -0.21 0.00 0.43 0.00 0.00 52.55 50.94 1t6r s ASP 7 Cb -0.18 -2.34 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1t6r s ASP 7 CO -0.21 -1.01 0.64 -0.63 -0.17 0.00 0.00 175.17 173.79 1t6r s ILE 8 N 2.28 5.00 -0.06 4.11 1.01 -1.26 -0.71 121.20 131.57 1t6r s ILE 8 Ca 0.24 1.20 -0.03 0.00 0.00 0.00 0.00 60.65 62.07 1t6r s ILE 8 Cb -0.11 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.44 1t6r s ILE 8 CO -0.04 0.07 0.06 -0.69 0.00 0.00 0.00 174.94 174.34 1t6r s VAL 9 N 2.14 -0.09 -0.78 2.92 1.01 0.19 -5.00 120.40 120.80 1t6r s VAL 9 Ca 0.28 0.32 0.22 0.00 0.00 0.00 0.00 61.98 62.80 1t6r s VAL 9 Cb -0.16 -0.24 0.22 0.00 0.00 0.00 0.00 36.38 36.20 1t6r s VAL 9 CO 0.10 0.10 1.69 -0.62 0.00 0.00 0.00 175.10 176.37 1t6r n GLU 10 N 5.29 0.12 0.00 2.72 1.02 -1.26 -0.52 120.64 128.01 1t6r n GLU 10 Ca -0.04 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1t6r n GLU 10 Cb 0.50 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1t6r n GLU 10 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1t6r n GLN 11 N -1.89 0.00 -3.68 3.49 0.00 -1.25 -1.47 117.38 112.57 1t6r n GLN 11 Ca 0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.82 1t6r n GLN 11 Cb 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 30.24 30.34 1t6r n GLN 11 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1t6r s ASP 12 N -3.65 1.57 -1.33 1.69 2.15 -1.26 -4.97 116.67 110.88 1t6r s ASP 12 Ca 0.00 -0.15 -0.00 0.00 0.43 0.00 0.00 52.55 52.83 1t6r s ASP 12 Cb 0.00 -0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.39 1t6r s ASP 12 CO 0.00 -0.27 0.02 -0.67 -0.17 0.00 0.00 175.17 174.09 1t6r n ASP 13 N 5.26 -4.66 -3.53 -0.34 -0.08 -0.64 -4.96 116.55 107.59 1t6r n ASP 13 Ca -0.05 0.10 -0.13 0.00 -1.51 0.00 0.00 54.79 53.20 1t6r n ASP 13 Cb 0.50 -3.91 -0.11 0.00 2.34 0.00 0.00 41.12 39.93 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 -5.07 0.22 -1.05 -0.67 2.20 -0.54 -4.83 119.74 110.00 1t6r s LYS 14 Ca 0.01 0.56 -0.22 0.00 -0.36 0.00 0.00 55.97 55.96 1t6r s LYS 14 Cb -0.01 -0.47 0.05 0.00 -1.51 0.00 0.00 37.83 35.89 1t6r s LYS 14 CO 0.02 -0.48 1.50 0.00 -0.36 0.00 0.00 175.35 176.03 1t6r s ALA 15 N 2.44 2.73 0.54 3.13 0.00 -0.24 -3.96 121.76 126.41 1t6r s ALA 15 Ca 0.05 -2.31 -0.18 0.00 0.00 0.00 0.00 51.96 49.53 1t6r s ALA 15 Cb -0.14 -4.55 -0.06 0.00 0.00 0.00 0.00 23.12 18.38 1t6r s ALA 15 CO -0.12 -3.64 1.07 0.42 0.00 0.00 0.00 175.76 173.49 1t6r s ILE 16 N 5.12 3.63 -0.20 0.00 1.01 0.33 -1.43 121.20 129.64 1t6r s ILE 16 Ca 0.48 0.91 -0.04 0.00 0.00 0.00 0.00 60.65 62.00 1t6r s ILE 16 Cb 0.00 -3.37 0.07 0.00 0.01 0.00 0.00 42.46 39.17 1t6r s ILE 16 CO -0.08 -0.32 0.09 -0.69 0.00 0.00 0.00 174.94 173.95 1t6r s VAL 17 N -2.12 -0.00 -0.84 2.92 1.01 -0.39 -0.64 120.40 120.34 1t6r s VAL 17 Ca 0.67 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 1t6r s VAL 17 Cb -0.18 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1t6r s VAL 17 CO 0.28 -0.39 1.54 -0.13 0.00 0.00 0.00 175.10 176.41 1t6r s ARG 18 N 2.09 3.13 0.37 2.72 0.52 0.12 -0.44 118.95 127.46 1t6r s ARG 18 Ca 0.03 -0.41 -0.27 0.00 -0.52 0.00 0.00 55.73 54.56 1t6r s ARG 18 Cb -0.16 -4.76 -0.09 0.00 0.52 0.00 0.00 34.95 30.46 1t6r s ARG 18 CO -0.16 -2.46 1.24 0.08 0.02 0.00 0.00 175.30 174.02 1t6r s VAL 19 N 6.72 2.91 -0.22 3.52 1.01 0.61 -1.32 120.40 133.63 1t6r s VAL 19 Ca 0.50 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 1t6r s VAL 19 Cb -0.06 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1t6r s VAL 19 CO 0.05 0.14 0.29 -1.10 0.00 0.00 0.00 175.10 174.48 1t6r s GLN 20 N -2.04 0.26 0.00 2.72 -0.21 -0.80 -3.85 119.66 115.75 1t6r s GLN 20 Ca 0.53 0.39 0.00 0.00 0.02 0.00 0.00 55.36 56.30 1t6r s GLN 20 Cb -0.36 -0.81 0.00 0.00 1.00 0.00 0.00 33.01 32.84 1t6r s GLN 20 CO 0.46 -0.62 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 1t6r n GLY 21 N 5.34 -0.69 2.71 3.09 0.00 -1.26 -0.75 105.19 113.63 1t6r n GLY 21 Ca -0.05 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 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 -4.00 2.00 -0.40 1.61 1.01 -1.26 -3.83 116.67 111.80 1t6r s ASP 22 Ca 0.00 -0.70 -0.29 0.00 0.71 0.00 0.00 52.55 52.27 1t6r s ASP 22 Cb 0.00 0.27 0.01 0.00 1.01 0.00 0.00 42.92 44.21 1t6r s ASP 22 CO 0.00 -0.38 1.30 -0.63 0.21 0.00 0.00 175.17 175.67 1t6r s ILE 23 N 2.29 4.06 0.00 0.77 1.01 0.09 -4.65 121.20 124.77 1t6r s ILE 23 Ca 0.08 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1t6r s ILE 23 Cb -0.15 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1t6r s ILE 23 CO -0.27 -0.73 0.00 -0.90 0.00 0.00 0.00 174.94 173.04 1t6r n ASP 24 N 8.19 0.00 0.00 3.58 5.75 -1.26 -0.54 116.55 132.27 1t6r n ASP 24 Ca 0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1t6r n ASP 24 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.53 2.12 0.00 -1.26 0.04 120.51 120.04 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 -0.98 0.22 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.37 0.40 0.00 0.00 4.01 -1.26 -4.53 117.16 114.41 1t6r n TYR 26 Ca 0.00 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1t6r n TYR 26 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1t6r n TYR 26 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1t6r n ASN 27 N 1.33 0.00 -0.21 7.72 3.02 -0.53 -4.89 115.26 121.71 1t6r n ASN 27 Ca 0.18 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.70 1t6r n ASN 27 Cb 0.57 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.82 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 0.50 -0.32 6.41 0.02 -0.65 0.24 113.55 119.75 1t6r h SER 28 Ca 0.00 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1t6r h SER 28 Cb 0.00 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1t6r h SER 28 CO 0.00 0.33 0.28 0.28 -1.14 0.00 0.00 176.83 176.59 1t6r h SER 29 N 0.63 0.00 0.00 3.07 0.02 -1.79 0.36 113.55 115.84 1t6r h SER 29 Ca 0.26 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.09 1t6r h SER 29 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1t6r h SER 29 CO -0.16 0.00 -1.45 -1.84 -1.14 0.00 0.00 176.83 172.24 1t6r n GLU 30 N -4.07 0.19 -0.23 3.45 0.00 -1.03 -3.77 120.64 115.18 1t6r n GLU 30 Ca 0.05 0.06 0.21 0.00 0.00 0.00 0.00 57.16 57.48 1t6r n GLU 30 Cb 0.44 -1.01 0.56 0.00 0.00 0.00 0.00 31.44 31.43 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 -0.12 0.31 0.31 -1.84 6.46 -0.53 -1.20 115.31 118.70 1t6r h LEU 31 Ca -0.19 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1t6r h LEU 31 Cb 1.24 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1t6r h LEU 31 CO -0.07 0.12 -0.15 0.50 -0.62 0.00 0.00 178.44 178.22 1t6r h LYS 32 N 0.31 -0.40 -0.21 1.25 3.64 -1.10 -1.18 116.57 118.89 1t6r h LYS 32 Ca 0.46 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.83 1t6r h LYS 32 Cb 1.31 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1t6r h LYS 32 CO -0.14 -0.08 -0.06 1.05 -2.27 0.00 0.00 179.45 177.94 1t6r h GLU 33 N -0.73 0.32 0.09 1.90 4.11 -1.45 -0.57 114.58 118.26 1t6r h GLU 33 Ca -0.04 -0.07 -0.29 0.00 0.07 0.00 0.00 59.36 59.03 1t6r h GLU 33 Cb 0.49 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1t6r h GLU 33 CO 0.07 0.41 -1.46 1.96 0.07 0.00 0.00 179.01 180.05 1t6r h GLN 34 N 0.31 0.20 -0.55 1.06 4.20 -1.26 -1.61 115.11 117.46 1t6r h GLN 34 Ca 0.07 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1t6r h GLN 34 Cb 0.32 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1t6r h GLN 34 CO 0.01 1.06 0.35 -0.07 -0.67 0.00 0.00 178.83 179.51 1t6r h LEU 35 N 0.05 0.64 -0.30 1.46 -0.00 -1.08 -0.51 115.31 115.58 1t6r h LEU 35 Ca -0.21 -0.03 0.04 0.00 -0.00 0.00 0.00 57.88 57.67 1t6r h LEU 35 Cb 1.98 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 42.45 1t6r h LEU 35 CO 0.15 0.48 0.08 -0.09 -0.00 0.00 0.00 178.44 179.06 1t6r h ARG 36 N 0.74 0.19 -0.22 1.13 2.43 -0.89 0.88 114.38 118.64 1t6r h ARG 36 Ca 0.20 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1t6r h ARG 36 Cb -0.06 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.38 1t6r h ARG 36 CO -0.04 0.12 -0.24 -0.97 -1.51 0.00 0.00 179.97 177.33 1t6r h ASN 37 N 0.19 -0.76 0.38 -3.80 -0.73 -1.18 -0.56 115.58 109.13 1t6r h ASN 37 Ca 0.14 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.44 1t6r h ASN 37 Cb 0.13 0.36 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 1t6r h ASN 37 CO -0.17 -0.28 -0.32 0.15 -0.37 0.00 0.00 177.43 176.45 1t6r h PHE 38 N -0.26 -0.85 -0.87 0.67 3.57 -0.37 0.36 116.94 119.18 1t6r h PHE 38 Ca 0.13 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 1t6r h PHE 38 Cb 0.45 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1t6r h PHE 38 CO -0.38 -0.47 0.56 0.82 -2.23 0.00 0.00 178.31 176.61 1t6r h ILE 39 N -0.71 0.94 0.06 1.41 1.08 -0.70 -0.25 117.51 119.34 1t6r h ILE 39 Ca -0.03 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1t6r h ILE 39 Cb 0.62 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1t6r h ILE 39 CO -0.02 0.15 -0.03 -1.28 -0.69 0.00 0.00 178.15 176.28 1t6r h SER 40 N 0.82 -0.07 1.29 1.72 0.87 -0.57 -3.34 113.55 114.27 1t6r h SER 40 Ca 0.41 -0.35 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 1t6r h SER 40 Cb 0.47 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1t6r h SER 40 CO -0.17 0.33 -0.51 0.00 -0.53 0.00 0.00 176.83 175.94 1t6r h THR 41 N -0.47 0.93 -2.83 2.23 1.03 -0.11 -3.44 112.91 110.25 1t6r h THR 41 Ca -0.01 -2.13 -0.57 0.00 -0.01 0.00 0.00 66.41 63.69 1t6r h THR 41 Cb 0.42 2.33 -0.03 0.00 -1.07 0.00 0.00 68.15 69.79 1t6r h THR 41 CO 0.01 0.50 1.15 0.28 -0.01 0.00 0.00 175.52 177.45 1t6r s THR 42 N -3.11 3.69 0.57 0.00 -1.32 -0.18 -4.84 115.64 110.45 1t6r s THR 42 Ca 0.03 0.75 0.37 0.00 -1.21 0.00 0.00 61.69 61.63 1t6r s THR 42 Cb 0.09 -3.78 0.37 0.00 -1.51 0.00 0.00 72.50 67.67 1t6r s THR 42 CO 0.73 -0.40 2.14 0.28 -2.21 0.00 0.00 174.62 175.16 1t6r h SER 43 N 11.24 0.00 -3.44 8.08 0.02 -1.91 -3.43 113.55 124.11 1t6r h SER 43 Ca -0.32 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.09 1t6r h SER 43 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1t6r h SER 43 CO 1.02 0.00 0.40 -0.54 -1.14 0.00 0.00 176.83 176.57 1t6r s LYS 44 N -4.05 4.58 0.44 3.45 -0.14 -1.26 -4.92 119.74 117.84 1t6r s LYS 44 Ca -0.04 1.49 0.11 0.00 -1.36 0.00 0.00 55.97 56.18 1t6r s LYS 44 Cb 0.11 -3.41 0.96 0.00 -1.68 0.00 0.00 37.83 33.81 1t6r s LYS 44 CO 0.34 0.01 2.02 -0.22 -0.76 0.00 0.00 175.35 176.73 1t6r h LYS 45 N 6.35 0.20 -4.98 1.68 1.63 -1.91 -3.44 116.57 116.10 1t6r h LYS 45 Ca -0.42 -0.03 -0.65 0.00 -0.85 0.00 0.00 60.65 58.70 1t6r h LYS 45 Cb 1.22 -0.04 -0.24 0.00 -0.60 0.00 0.00 32.23 32.57 1t6r h LYS 45 CO 0.75 0.24 -0.65 -1.59 -3.45 0.00 0.00 179.45 174.75 1t6r s LYS 46 N -4.96 3.58 -0.11 1.90 0.00 -1.26 -0.28 119.74 118.61 1t6r s LYS 46 Ca -0.06 -0.52 0.03 0.00 0.00 0.00 0.00 55.97 55.43 1t6r s LYS 46 Cb 0.16 -3.22 -0.00 0.00 0.00 0.00 0.00 37.83 34.77 1t6r s LYS 46 CO 0.71 -0.17 -0.22 0.42 0.00 0.00 0.00 175.35 176.08 1t6r s ILE 47 N 1.52 2.19 -0.39 3.79 1.09 -0.35 -1.08 121.20 127.98 1t6r s ILE 47 Ca 0.06 -0.97 0.02 0.00 -1.10 0.00 0.00 60.65 58.66 1t6r s ILE 47 Cb -0.15 -1.85 0.11 0.00 -1.06 0.00 0.00 42.46 39.52 1t6r s ILE 47 CO 0.02 0.55 0.15 -0.69 -0.10 0.00 0.00 174.94 174.87 1t6r s VAL 48 N 0.38 1.71 -0.72 2.92 1.01 -0.52 -1.48 120.40 123.70 1t6r s VAL 48 Ca -0.17 -2.31 -0.27 0.00 0.00 0.00 0.00 61.98 59.23 1t6r s VAL 48 Cb -0.18 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.00 1t6r s VAL 48 CO 0.08 -0.73 1.27 -0.22 0.00 0.00 0.00 175.10 175.49 1t6r s LEU 49 N 0.75 3.20 -0.23 3.92 2.96 0.12 -1.26 118.68 128.14 1t6r s LEU 49 Ca 0.13 -0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 1t6r s LEU 49 Cb -0.21 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 1t6r s LEU 49 CO -0.09 -1.79 0.82 -0.62 -1.32 0.00 0.00 176.35 173.35 1t6r s ASP 50 N 3.62 6.84 -0.26 3.68 -1.08 0.41 -1.20 116.67 128.69 1t6r s ASP 50 Ca 0.36 1.05 0.10 0.00 -0.52 0.00 0.00 52.55 53.54 1t6r s ASP 50 Cb -0.08 -2.43 0.46 0.00 -1.46 0.00 0.00 42.92 39.41 1t6r s ASP 50 CO 0.17 -0.48 1.18 0.18 0.52 0.00 0.00 175.17 176.74 1t6r n LEU 51 N 5.81 4.03 0.20 -1.34 4.77 -1.08 -0.29 117.00 129.10 1t6r n LEU 51 Ca 0.05 -4.32 0.05 0.00 -0.03 0.00 0.00 56.01 51.76 1t6r n LEU 51 Cb 0.48 -0.26 0.43 0.00 -2.33 0.00 0.00 43.42 41.74 1t6r n LEU 51 CO 0.47 1.81 0.77 -1.28 -1.33 0.00 0.00 177.39 177.83 1t6r h SER 52 N 2.00 0.00 0.95 -1.43 0.87 -1.78 -3.05 113.55 111.11 1t6r h SER 52 Ca 0.23 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.58 1t6r h SER 52 Cb 1.43 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1t6r h SER 52 CO 0.54 0.32 -1.10 0.28 -0.53 0.00 0.00 176.83 176.34 1t6r h SER 53 N 0.00 0.00 -3.27 6.23 0.02 -1.87 -3.47 113.55 111.19 1t6r h SER 53 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1t6r h SER 53 Cb 0.65 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.20 1t6r h SER 53 CO 0.04 0.90 0.56 0.54 -1.14 0.00 0.00 176.83 177.73 1t6r s VAL 54 N -2.74 3.88 -0.07 2.27 0.11 -1.15 -4.65 120.40 118.05 1t6r s VAL 54 Ca 0.00 1.41 0.09 0.00 -2.93 0.00 0.00 61.98 60.55 1t6r s VAL 54 Cb 0.09 -3.90 -0.13 0.00 -1.53 0.00 0.00 36.38 30.91 1t6r s VAL 54 CO 0.81 0.15 0.09 -1.20 -3.33 0.00 0.00 175.10 171.61 1t6r n SER 55 N 3.50 2.73 -4.61 3.54 7.64 -1.25 -4.79 113.62 120.38 1t6r n SER 55 Ca 0.08 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.64 1t6r n SER 55 Cb 0.46 0.94 -0.10 0.00 -1.01 0.00 0.00 64.21 64.50 1t6r n SER 55 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1t6r s TYR 56 N -2.36 2.90 -0.19 1.43 5.04 -1.26 -4.88 117.35 118.03 1t6r s TYR 56 Ca -0.04 -0.04 -0.05 0.00 -2.44 0.00 0.00 57.07 54.50 1t6r s TYR 56 Cb 0.04 -1.59 0.10 0.00 0.35 0.00 0.00 41.96 40.85 1t6r s TYR 56 CO 0.39 0.40 0.35 1.41 -1.34 0.00 0.00 175.55 176.75 1t6r s MET 57 N -1.59 0.27 0.00 4.97 -2.45 -1.22 -0.73 119.30 118.55 1t6r s MET 57 Ca 0.18 0.77 0.00 0.00 -1.25 0.00 0.00 55.69 55.39 1t6r s MET 57 Cb -0.11 -0.09 0.00 0.00 1.25 0.00 0.00 34.83 35.87 1t6r s MET 57 CO 0.09 -0.39 0.00 -3.47 1.05 0.00 0.00 175.02 172.30 1t6r n ASP 58 N 5.37 0.00 0.00 1.11 -0.08 0.30 -4.98 116.55 118.27 1t6r n ASP 58 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1t6r n ASP 58 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 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 0.02 -1.67 0.00 -1.26 -3.52 120.51 111.08 1t6r n ALA 60 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1t6r n ALA 60 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 0.50 0.56 0.00 0.00 -1.89 -2.68 103.07 99.57 1t6r h GLY 61 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1t6r h GLY 61 CO 0.00 0.46 -0.10 1.41 0.00 0.00 0.00 176.54 178.31 1t6r h LEU 62 N 0.38 -0.25 -2.03 3.11 3.38 -1.96 -3.02 115.31 114.92 1t6r h LEU 62 Ca 0.03 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.82 1t6r h LEU 62 Cb 0.91 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1t6r h LEU 62 CO 0.08 0.18 0.21 1.23 0.09 0.00 0.00 178.44 180.24 1t6r h GLY 63 N -0.74 0.00 0.88 0.83 0.00 -1.91 -0.61 103.07 101.53 1t6r h GLY 63 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1t6r h GLY 63 CO 0.05 0.00 -0.20 -0.84 0.00 0.00 0.00 176.54 175.55 1t6r h THR 64 N 0.00 0.58 -0.60 4.70 2.02 -1.41 -0.50 112.91 117.71 1t6r h THR 64 Ca 0.14 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.40 1t6r h THR 64 Cb 0.56 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1t6r h THR 64 CO -0.00 0.00 0.40 -0.07 0.37 0.00 0.00 175.52 176.22 1t6r h LEU 65 N -0.49 0.41 -0.51 2.58 3.38 -0.99 0.37 115.31 120.05 1t6r h LEU 65 Ca -0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1t6r h LEU 65 Cb 0.42 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1t6r h LEU 65 CO 0.02 0.25 -0.30 0.58 0.09 0.00 0.00 178.44 179.08 1t6r h VAL 66 N 0.46 1.27 0.11 1.22 2.07 -1.09 -1.40 116.25 118.89 1t6r h VAL 66 Ca 0.27 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.34 1t6r h VAL 66 Cb 0.47 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1t6r h VAL 66 CO -0.08 0.49 -0.32 0.58 0.02 0.00 0.00 177.57 178.27 1t6r h VAL 67 N 0.75 0.32 -0.58 2.57 2.07 0.56 -1.84 116.25 120.09 1t6r h VAL 67 Ca 0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 1t6r h VAL 67 Cb 0.87 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1t6r h VAL 67 CO 0.08 0.00 0.26 0.40 0.02 0.00 0.00 177.57 178.32 1t6r h ILE 68 N -0.54 0.86 0.48 4.57 1.08 -0.68 -1.06 117.51 122.22 1t6r h ILE 68 Ca 0.03 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1t6r h ILE 68 Cb 0.57 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1t6r h ILE 68 CO -0.19 0.09 -0.23 0.25 -0.69 0.00 0.00 178.15 177.37 1t6r h LEU 69 N 0.47 -0.55 -1.90 1.44 7.12 -1.23 0.12 115.31 120.78 1t6r h LEU 69 Ca 0.28 0.01 0.14 0.00 0.13 0.00 0.00 57.88 58.44 1t6r h LEU 69 Cb 0.27 0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 1t6r h LEU 69 CO -0.24 -0.39 0.39 0.50 -0.13 0.00 0.00 178.44 178.57 1t6r h LYS 70 N -0.66 0.10 0.02 1.25 3.64 -0.37 0.22 116.57 120.76 1t6r h LYS 70 Ca -0.07 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1t6r h LYS 70 Cb 0.50 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1t6r h LYS 70 CO 0.11 0.06 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.55 1t6r h ASP 71 N 0.10 0.29 -0.87 4.20 3.32 -1.10 -3.19 116.42 119.18 1t6r h ASP 71 Ca 0.26 -0.82 0.22 0.00 0.02 0.00 0.00 57.03 56.72 1t6r h ASP 71 Cb 0.91 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 40.23 1t6r h ASP 71 CO -0.03 1.08 0.28 0.00 -1.72 0.00 0.00 179.24 178.85 1t6r h ALA 72 N 0.22 1.29 -0.40 3.45 0.00 0.96 0.97 119.26 125.76 1t6r h ALA 72 Ca -0.05 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1t6r h ALA 72 Cb 1.15 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1t6r h ALA 72 CO 0.07 -0.42 -0.17 0.87 0.00 0.00 0.00 179.25 179.60 1t6r h LYS 73 N 0.27 0.81 -0.20 0.00 1.79 -1.25 0.25 116.57 118.24 1t6r h LYS 73 Ca 0.54 -0.35 0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1t6r h LYS 73 Cb 1.06 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.64 1t6r h LYS 73 CO -0.60 0.97 -0.05 0.82 -1.08 0.00 0.00 179.45 179.51 1t6r h ILE 74 N 0.62 0.80 0.00 1.86 2.04 -1.22 -2.51 117.51 119.09 1t6r h ILE 74 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1t6r h ILE 74 Cb 0.72 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 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 -5.20 0.00 -2.53 1.72 5.03 0.22 -4.92 115.26 109.59 1t6r n ASN 75 Ca -0.02 0.26 -0.00 0.00 0.87 0.00 0.00 54.58 55.69 1t6r n ASN 75 Cb 0.13 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.48 1t6r n ASN 75 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1t6r n GLY 76 N 0.68 -0.90 3.38 7.41 0.00 -0.05 -5.05 105.19 110.68 1t6r n GLY 76 Ca 0.08 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.04 1.35 -0.42 1.61 -2.85 0.67 -4.91 119.74 112.14 1t6r s LYS 77 Ca 0.01 -1.43 -0.14 0.00 -1.00 0.00 0.00 55.97 53.42 1t6r s LYS 77 Cb -0.00 0.37 0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1t6r s LYS 77 CO 0.49 -0.50 0.30 -1.21 0.10 0.00 0.00 175.35 174.53 1t6r s GLU 78 N -4.08 2.89 -0.32 1.78 2.02 0.61 -4.52 118.70 117.07 1t6r s GLU 78 Ca 0.30 -1.19 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 1t6r s GLU 78 Cb 0.03 -3.94 0.02 0.00 0.10 0.00 0.00 34.13 30.34 1t6r s GLU 78 CO 0.10 -0.85 0.11 0.12 0.02 0.00 0.00 175.26 174.76 1t6r s PHE 79 N 1.61 3.20 0.09 1.61 5.36 -1.26 -1.21 117.98 127.39 1t6r s PHE 79 Ca 0.04 -1.12 0.05 0.00 -0.96 0.00 0.00 56.93 54.93 1t6r s PHE 79 Cb -0.21 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.14 1t6r s PHE 79 CO 0.07 -0.64 -0.12 0.42 -1.46 0.00 0.00 175.22 173.49 1t6r s ILE 80 N 1.48 1.08 0.46 3.12 1.01 -0.55 -4.48 121.20 123.32 1t6r s ILE 80 Ca 0.01 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.18 1t6r s ILE 80 Cb -0.18 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1t6r s ILE 80 CO 0.03 -0.41 0.12 -0.76 0.00 0.00 0.00 174.94 173.92 1t6r s LEU 81 N -2.20 2.77 0.11 2.97 1.43 -1.25 -0.71 118.68 121.81 1t6r s LEU 81 Ca 0.03 -1.34 -0.25 0.00 -1.03 0.00 0.00 54.13 51.55 1t6r s LEU 81 Cb -0.06 -1.07 0.08 0.00 0.03 0.00 0.00 46.19 45.17 1t6r s LEU 81 CO 0.02 -0.68 0.72 -0.55 0.23 0.00 0.00 176.35 176.08 1t6r s SER 82 N -3.90 -0.47 -1.20 2.29 0.15 -0.34 -0.48 113.70 109.75 1t6r s SER 82 Ca 0.29 -0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.89 1t6r s SER 82 Cb 0.04 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1t6r s SER 82 CO 0.16 -0.87 0.98 -1.20 1.20 0.00 0.00 173.24 173.51 1t6r n SER 83 N -0.34 -2.19 -4.55 5.45 7.64 -0.90 -2.63 113.62 116.10 1t6r n SER 83 Ca -0.13 -0.64 -0.31 0.00 1.01 0.00 0.00 58.87 58.80 1t6r n SER 83 Cb 0.63 -5.07 -0.05 0.00 -1.01 0.00 0.00 64.21 58.72 1t6r n SER 83 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1t6r n LEU 84 N -4.10 2.01 -4.57 -3.43 4.77 -1.26 -3.51 117.00 106.91 1t6r n LEU 84 Ca -0.28 -0.67 -0.30 0.00 -0.03 0.00 0.00 56.01 54.72 1t6r n LEU 84 Cb 0.67 -1.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 1t6r n LEU 84 CO 0.61 -1.74 1.44 -0.54 -1.33 0.00 0.00 177.39 175.83 1t6r s LYS 85 N 8.45 2.81 0.00 3.23 -0.14 -1.26 -4.44 119.74 128.39 1t6r s LYS 85 Ca 1.00 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 1t6r s LYS 85 Cb -0.25 -5.18 0.00 0.00 -1.68 0.00 0.00 37.83 30.72 1t6r s LYS 85 CO 0.25 -3.23 0.00 0.39 -0.76 0.00 0.00 175.35 171.99 1t6r n GLU 86 N 8.71 0.00 -0.11 1.68 1.02 -1.26 -0.11 120.64 130.57 1t6r n GLU 86 Ca 0.40 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.50 1t6r n GLU 86 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.86 1t6r n GLU 86 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1t6r h SER 87 N 0.00 -0.75 -0.20 1.62 0.87 -1.91 0.43 113.55 113.61 1t6r h SER 87 Ca 0.00 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1t6r h SER 87 Cb 0.00 0.32 -0.07 0.00 -0.44 0.00 0.00 62.40 62.21 1t6r h SER 87 CO 0.00 -0.11 -0.49 0.40 -0.53 0.00 0.00 176.83 176.10 1t6r h ILE 88 N -0.05 0.06 -0.70 2.23 5.03 -0.85 -0.81 117.51 122.41 1t6r h ILE 88 Ca 0.05 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.85 1t6r h ILE 88 Cb 0.17 0.06 -0.08 0.00 -3.03 0.00 0.00 36.82 33.94 1t6r h ILE 88 CO -0.29 0.00 -0.41 -0.24 -0.68 0.00 0.00 178.15 176.52 1t6r n SER 89 N -5.43 -0.74 -0.06 1.72 2.88 -0.80 0.00 113.62 111.20 1t6r n SER 89 Ca -0.04 1.27 -0.09 0.00 -1.33 0.00 0.00 58.87 58.68 1t6r n SER 89 Cb 0.37 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.29 0.00 -1.46 2.47 -0.02 -3.03 114.38 112.05 1t6r h ARG 90 Ca 0.11 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 1t6r h ARG 90 Cb 0.29 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1t6r h ARG 90 CO -0.65 -0.20 -0.13 0.82 0.56 0.00 0.00 179.97 180.36 1t6r h ILE 91 N -0.31 0.46 0.06 2.04 2.04 0.97 0.27 117.51 123.04 1t6r h ILE 91 Ca 0.13 -0.69 -0.17 0.00 1.00 0.00 0.00 64.86 65.13 1t6r h ILE 91 Cb 0.52 1.48 0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1t6r h ILE 91 CO -0.43 0.13 -0.70 -0.07 0.00 0.00 0.00 178.15 177.08 1t6r h LEU 92 N 0.00 0.51 -0.99 1.44 -0.00 -1.10 -3.33 115.31 111.84 1t6r h LEU 92 Ca -0.00 -0.84 -0.10 0.00 -0.00 0.00 0.00 57.88 56.94 1t6r h LEU 92 Cb 0.47 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1t6r h LEU 92 CO 0.02 1.30 -0.46 0.11 -0.00 0.00 0.00 178.44 179.41 1t6r h LYS 93 N -0.21 0.00 -0.79 1.13 6.56 -1.01 -0.47 116.57 121.78 1t6r h LYS 93 Ca -0.11 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.58 1t6r h LYS 93 Cb 1.46 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 33.07 1t6r h LYS 93 CO 0.14 0.46 0.52 1.37 -2.06 0.00 0.00 179.45 179.87 1t6r h LEU 94 N 0.00 0.66 -2.42 2.94 8.10 -0.66 0.32 115.31 124.25 1t6r h LEU 94 Ca -0.00 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1t6r h LEU 94 Cb 0.89 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.99 1t6r h LEU 94 CO 0.06 0.39 0.00 0.35 -4.11 0.00 0.00 178.44 175.13 1t6r n THR 95 N -4.50 0.74 -1.79 0.15 -2.24 -1.24 -4.94 114.28 100.46 1t6r n THR 95 Ca 0.13 -0.84 -0.20 0.00 -2.27 0.00 0.00 64.05 60.87 1t6r n THR 95 Cb 0.32 0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 1t6r n THR 95 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t6r n HIS 96 N 1.48 -0.29 0.45 4.78 8.25 0.10 -4.87 115.22 125.12 1t6r n HIS 96 Ca 0.22 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.79 1t6r n HIS 96 Cb 0.59 -3.50 0.45 0.00 1.12 0.00 0.00 29.99 28.65 1t6r n HIS 96 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1t6r n LEU 97 N -2.49 0.54 0.17 2.41 4.77 -0.19 -2.45 117.00 119.75 1t6r n LEU 97 Ca -0.21 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1t6r n LEU 97 Cb 0.66 -0.54 0.60 0.00 -2.33 0.00 0.00 43.42 41.82 1t6r n LEU 97 CO 0.30 -0.45 0.84 -0.90 -1.33 0.00 0.00 177.39 175.85 1t6r n ASP 98 N -2.08 0.59 -0.39 -1.43 5.75 -1.20 -0.75 116.55 117.04 1t6r n ASP 98 Ca 0.03 0.76 0.05 0.00 -0.01 0.00 0.00 54.79 55.62 1t6r n ASP 98 Cb 0.24 -0.85 0.04 0.00 -1.03 0.00 0.00 41.12 39.52 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 -2.28 0.76 -0.08 0.11 2.85 -1.03 -3.59 118.16 114.90 1t6r n LYS 99 Ca -0.01 -1.04 -0.18 0.00 -1.05 0.00 0.00 58.31 56.03 1t6r n LYS 99 Cb 0.05 -1.18 -0.13 0.00 -0.65 0.00 0.00 35.03 33.12 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 0.44 1.58 -0.25 0.58 5.41 0.07 -4.45 119.36 122.73 1t6r n ILE 100 Ca 0.06 -0.64 0.06 0.00 1.00 0.00 0.00 62.75 63.23 1t6r n ILE 100 Cb 0.26 -1.40 0.16 0.00 -0.71 0.00 0.00 39.64 37.95 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 -3.26 0.49 -1.76 1.39 3.72 0.05 -5.04 117.46 113.04 1t6r n PHE 101 Ca -0.39 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 1t6r n PHE 101 Cb 1.03 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 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 0.36 0.00 -3.73 -1.08 4.81 -1.24 -3.83 118.16 113.45 1t6r n LYS 102 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.51 1t6r n LYS 102 Cb 0.47 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.50 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 0.22 3.15 2.07 -1.25 -4.40 121.20 120.99 1t6r s ILE 103 Ca 0.00 -0.63 0.00 0.00 -1.41 0.00 0.00 60.65 58.61 1t6r s ILE 103 Cb 0.00 -1.84 -0.05 0.00 0.13 0.00 0.00 42.46 40.71 1t6r s ILE 103 CO 0.00 0.00 0.09 0.42 -1.91 0.00 0.00 174.94 173.54 1t6r s THR 104 N -3.43 0.35 -0.04 4.00 -4.23 0.37 -4.88 115.64 107.77 1t6r s THR 104 Ca 0.11 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 1t6r s THR 104 Cb -0.02 -2.47 -0.28 0.00 1.34 0.00 0.00 72.50 71.06 1t6r s THR 104 CO 0.01 -0.10 0.96 -0.78 -0.54 0.00 0.00 174.62 174.17 1t6r h ASP 105 N 2.54 0.42 -4.54 3.99 3.58 -1.92 -3.19 116.42 117.31 1t6r h ASP 105 Ca -0.37 -0.88 -0.26 0.00 0.42 0.00 0.00 57.03 55.93 1t6r h ASP 105 Cb 1.24 -0.13 -0.17 0.00 1.72 0.00 0.00 39.33 41.99 1t6r h ASP 105 CO 0.58 1.26 -0.71 0.42 -2.88 0.00 0.00 179.24 177.91 1t6r s THR 106 N -2.71 0.76 0.46 2.25 -4.23 -1.26 -2.12 115.64 108.79 1t6r s THR 106 Ca -0.14 -1.70 0.27 0.00 -1.18 0.00 0.00 61.69 58.94 1t6r s THR 106 Cb 0.01 -1.40 0.30 0.00 1.34 0.00 0.00 72.50 72.75 1t6r s THR 106 CO 0.81 -0.69 2.11 1.62 -0.54 0.00 0.00 174.62 177.92 1t6r h VAL 107 N 3.40 0.59 0.00 2.29 3.04 -1.96 -0.88 116.25 122.73 1t6r h VAL 107 Ca -0.36 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 1t6r h VAL 107 Cb 1.18 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1t6r h VAL 107 CO 0.57 0.09 0.00 -0.62 -1.01 0.00 0.00 177.57 176.60 1t6r n GLU 108 N -3.73 0.17 -0.05 4.17 -0.58 -1.26 -2.33 120.64 117.03 1t6r n GLU 108 Ca -0.02 0.17 0.02 0.00 -0.42 0.00 0.00 57.16 56.91 1t6r n GLU 108 Cb 0.20 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.61 1t6r n GLU 108 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1t6r n GLU 109 N -1.27 1.89 0.00 3.49 0.00 -0.34 -5.15 120.64 119.26 1t6r n GLU 109 Ca 0.06 -1.58 0.13 0.00 0.00 0.00 0.00 57.16 55.77 1t6r n GLU 109 Cb 0.09 -1.01 0.36 0.00 0.00 0.00 0.00 31.44 30.87 1t6r n GLU 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13