#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6t n LEU 2 N 0.00 -5.77 -1.44 4.03 4.77 -1.26 -4.81 117.00 112.52 1d6t n LEU 2 Ca 0.00 1.91 0.09 0.00 -0.03 0.00 0.00 56.01 57.97 1d6t n LEU 2 Cb 0.00 -2.79 -0.05 0.00 -2.33 0.00 0.00 43.42 38.25 1d6t n LEU 2 CO 0.00 -3.69 -0.52 -0.11 -1.33 0.00 0.00 177.39 171.75 1d6t n LEU 3 N 1.92 -1.20 0.00 2.23 7.94 -1.26 -5.01 117.00 121.63 1d6t n LEU 3 Ca -0.29 2.36 0.00 0.00 -1.11 0.00 0.00 56.01 56.96 1d6t n LEU 3 Cb 0.46 -2.98 0.00 0.00 0.53 0.00 0.00 43.42 41.44 1d6t n LEU 3 CO 0.29 -1.38 0.00 -0.62 -1.11 0.00 0.00 177.39 174.57 1d6t n GLU 4 N -3.48 0.79 0.00 1.96 -0.58 -1.26 -4.82 120.64 113.25 1d6t n GLU 4 Ca -0.05 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.71 1d6t n GLU 4 Cb 0.53 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.47 1d6t n GLU 4 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1d6t n LYS 5 N 0.00 0.03 -1.49 3.49 2.85 -1.26 -4.75 118.16 117.03 1d6t n LYS 5 Ca 0.00 0.29 -0.09 0.00 -1.05 0.00 0.00 58.31 57.46 1d6t n LYS 5 Cb 0.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 1d6t n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d6t n ALA 6 N -1.32 -0.16 -1.67 0.58 0.00 -1.26 -2.34 120.51 114.34 1d6t n ALA 6 Ca 0.01 0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 1d6t n ALA 6 Cb 0.02 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 1d6t n ALA 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1d6t n TYR 7 N -3.08 -0.11 -2.41 0.00 4.01 -1.26 -3.47 117.16 110.84 1d6t n TYR 7 Ca -0.09 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.24 1d6t n TYR 7 Cb 0.36 -3.37 -0.03 0.00 -0.31 0.00 0.00 39.34 35.98 1d6t n TYR 7 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1d6t s ARG 8 N -3.82 4.50 -0.84 -0.72 0.52 -0.99 -2.31 118.95 115.29 1d6t s ARG 8 Ca 0.00 1.83 -0.22 0.00 -0.52 0.00 0.00 55.73 56.82 1d6t s ARG 8 Cb 0.00 -3.27 -0.21 0.00 0.52 0.00 0.00 34.95 32.00 1d6t s ARG 8 CO 0.00 -0.09 2.39 -0.89 0.02 0.00 0.00 175.30 176.73 1d6t n ILE 9 N 2.74 -0.02 0.09 1.52 2.08 -1.26 -4.67 119.36 119.85 1d6t n ILE 9 Ca 0.05 -0.46 -0.17 0.00 0.56 0.00 0.00 62.75 62.73 1d6t n ILE 9 Cb 0.45 -1.23 -0.14 0.00 -0.75 0.00 0.00 39.64 37.97 1d6t n ILE 9 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1d6t h LYS 10 N 13.36 0.28 -6.37 0.38 1.63 -1.96 -3.46 116.57 120.42 1d6t h LYS 10 Ca -0.04 -0.47 -0.45 0.00 -0.85 0.00 0.00 60.65 58.83 1d6t h LYS 10 Cb 1.15 0.18 0.01 0.00 -0.60 0.00 0.00 32.23 32.96 1d6t h LYS 10 CO 1.30 1.19 -0.30 0.21 -3.45 0.00 0.00 179.45 178.40 1d6t s LYS 11 N -2.64 3.26 -0.09 1.90 2.20 -1.26 -5.04 119.74 118.07 1d6t s LYS 11 Ca -0.06 -0.75 -0.26 0.00 -0.36 0.00 0.00 55.97 54.54 1d6t s LYS 11 Cb 0.07 -2.77 -0.22 0.00 -1.51 0.00 0.00 37.83 33.39 1d6t s LYS 11 CO 0.88 0.13 0.91 -0.91 -0.36 0.00 0.00 175.35 175.99 1d6t h ASN 12 N 0.87 -0.02 -0.57 1.43 2.35 -1.99 -3.25 115.58 114.40 1d6t h ASN 12 Ca -0.48 -0.74 0.11 0.00 -0.55 0.00 0.00 56.30 54.64 1d6t h ASN 12 Cb 1.24 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.50 1d6t h ASN 12 CO 0.57 0.76 -0.24 0.00 -1.65 0.00 0.00 177.43 176.88 1d6t h ALA 13 N 0.10 0.18 -0.64 -0.83 0.00 -1.96 1.87 119.26 117.97 1d6t h ALA 13 Ca -0.00 0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.29 1d6t h ALA 13 Cb 0.76 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1d6t h ALA 13 CO 0.00 -0.55 0.65 -0.44 0.00 0.00 0.00 179.25 178.92 1d6t h ASP 14 N -0.10 0.00 0.07 0.00 5.19 -1.98 1.18 116.42 120.79 1d6t h ASP 14 Ca 0.26 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.29 1d6t h ASP 14 Cb 0.50 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 1d6t h ASP 14 CO -0.63 0.00 -2.21 0.33 -3.12 0.00 0.00 179.24 173.61 1d6t n PHE 15 N -3.69 0.70 0.01 4.55 -0.00 0.52 -4.11 117.46 115.45 1d6t n PHE 15 Ca 0.13 0.15 -0.02 0.00 -0.00 0.00 0.00 57.45 57.71 1d6t n PHE 15 Cb 0.89 -1.09 0.25 0.00 -0.00 0.00 0.00 39.48 39.53 1d6t n PHE 15 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.76 176.20 1d6t h GLN 16 N 0.04 0.48 -0.15 -4.13 -0.00 0.48 -2.05 115.11 109.78 1d6t h GLN 16 Ca -0.49 -0.14 -0.01 0.00 -0.00 0.00 0.00 58.65 58.01 1d6t h GLN 16 Cb 1.98 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 29.40 1d6t h GLN 16 CO 0.01 0.61 0.05 0.00 -0.00 0.00 0.00 178.83 179.51 1d6t h ARG 17 N 0.45 0.21 0.13 0.06 3.08 0.11 0.13 114.38 118.55 1d6t h ARG 17 Ca 0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1d6t h ARG 17 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1d6t h ARG 17 CO 0.03 0.19 -0.06 0.82 -1.07 0.00 0.00 179.97 179.88 1d6t h ILE 18 N 0.21 0.00 0.00 2.04 1.08 -1.54 -3.22 117.51 116.09 1d6t h ILE 18 Ca 0.05 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1d6t h ILE 18 Cb 0.06 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.81 1d6t h ILE 18 CO -0.00 0.00 0.34 1.88 -0.69 0.00 0.00 178.15 179.67 1d6t h TYR 19 N -0.50 0.00 0.00 1.37 -1.99 -1.37 1.52 116.97 115.99 1d6t h TYR 19 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1d6t h TYR 19 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1d6t h TYR 19 CO 0.04 0.00 0.00 1.17 -0.00 0.00 0.00 178.16 179.37 1d6t n LYS 20 N -2.58 0.00 -0.01 4.88 4.81 0.46 -4.39 118.16 121.32 1d6t n LYS 20 Ca -0.02 0.13 0.01 0.00 -0.87 0.00 0.00 58.31 57.56 1d6t n LYS 20 Cb 0.37 -0.94 0.01 0.00 0.02 0.00 0.00 35.03 34.49 1d6t n LYS 20 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1d6t n LYS 21 N -0.57 2.42 -0.88 1.64 4.76 -1.13 -5.07 118.16 119.33 1d6t n LYS 21 Ca 0.00 -1.41 -0.34 0.00 -2.87 0.00 0.00 58.31 53.69 1d6t n LYS 21 Cb 0.00 -0.95 0.09 0.00 -1.84 0.00 0.00 35.03 32.33 1d6t n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1d6t n GLY 22 N -0.47 -3.04 3.16 0.72 0.00 0.52 -4.94 105.19 101.13 1d6t n GLY 22 Ca 0.01 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 1d6t n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1d6t s HIS 23 N -2.24 3.47 0.41 1.61 2.46 -0.33 -4.94 115.29 115.73 1d6t s HIS 23 Ca 0.50 -2.12 -0.16 0.00 0.47 0.00 0.00 55.06 53.76 1d6t s HIS 23 Cb -0.20 -2.94 -0.09 0.00 -0.13 0.00 0.00 32.58 29.22 1d6t s HIS 23 CO 0.73 -0.91 0.85 -1.54 -2.47 0.00 0.00 174.74 171.40 1d6t s SER 24 N 1.77 6.72 -0.06 9.88 1.04 -1.26 -1.99 113.70 129.79 1d6t s SER 24 Ca 0.04 1.40 -0.03 0.00 0.48 0.00 0.00 55.95 57.85 1d6t s SER 24 Cb -0.22 -2.43 0.04 0.00 0.10 0.00 0.00 66.02 63.51 1d6t s SER 24 CO -0.02 -0.38 0.13 0.68 0.98 0.00 0.00 173.24 174.63 1d6t s VAL 25 N -2.27 -0.13 -0.06 5.02 -7.23 0.69 -4.97 120.40 111.45 1d6t s VAL 25 Ca 0.56 0.26 0.05 0.00 -1.81 0.00 0.00 61.98 61.05 1d6t s VAL 25 Cb -0.10 -0.23 -0.01 0.00 0.56 0.00 0.00 36.38 36.60 1d6t s VAL 25 CO 0.23 0.11 -0.23 0.00 -0.31 0.00 0.00 175.10 174.90 1d6t s ALA 26 N 1.61 2.04 -0.18 1.32 0.00 -1.26 -0.24 121.76 125.06 1d6t s ALA 26 Ca -0.04 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1d6t s ALA 26 Cb -0.12 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 1d6t s ALA 26 CO -0.05 0.37 -0.23 0.27 0.00 0.00 0.00 175.76 176.12 1d6t n ASN 27 N 3.08 1.88 0.00 0.00 0.23 -1.12 -4.95 115.26 114.38 1d6t n ASN 27 Ca -0.18 0.47 0.00 0.00 -0.53 0.00 0.00 54.58 54.34 1d6t n ASN 27 Cb 0.52 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 1d6t n ASN 27 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1d6t n ARG 28 N -4.50 0.00 0.00 -3.83 1.74 -1.26 -4.95 116.66 103.85 1d6t n ARG 28 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1d6t n ARG 28 Cb 0.46 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1d6t n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d6t n GLN 29 N -1.74 2.68 -3.96 5.56 10.64 -1.26 -4.97 117.38 124.32 1d6t n GLN 29 Ca 0.00 -0.28 -0.25 0.00 -1.83 0.00 0.00 57.00 54.64 1d6t n GLN 29 Cb 0.00 -0.78 -0.03 0.00 -0.86 0.00 0.00 30.24 28.57 1d6t n GLN 29 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1d6t s PHE 30 N -0.49 3.46 -0.25 2.61 5.36 -1.26 -1.31 117.98 126.10 1d6t s PHE 30 Ca 0.00 0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.04 1d6t s PHE 30 Cb 0.00 -1.64 0.11 0.00 -0.34 0.00 0.00 43.02 41.15 1d6t s PHE 30 CO 0.01 0.51 0.25 0.54 -1.46 0.00 0.00 175.22 175.06 1d6t s VAL 31 N -1.78 -0.35 -0.15 3.12 0.11 -0.09 -2.78 120.40 118.48 1d6t s VAL 31 Ca 0.34 -0.31 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 1d6t s VAL 31 Cb -0.11 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1d6t s VAL 31 CO 0.28 -0.35 0.19 0.68 -3.33 0.00 0.00 175.10 172.57 1d6t s VAL 32 N 2.33 5.39 -0.16 2.04 -7.23 0.67 0.15 120.40 123.59 1d6t s VAL 32 Ca 0.08 0.32 -0.07 0.00 -1.81 0.00 0.00 61.98 60.51 1d6t s VAL 32 Cb -0.15 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 1d6t s VAL 32 CO -0.23 0.50 0.06 -0.31 -0.31 0.00 0.00 175.10 174.82 1d6t s TYR 33 N -0.22 3.26 0.01 2.82 1.51 0.64 -0.23 117.35 125.15 1d6t s TYR 33 Ca 0.13 0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 56.20 1d6t s TYR 33 Cb -0.12 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1d6t s TYR 33 CO 0.03 0.24 0.24 0.95 -1.11 0.00 0.00 175.55 175.89 1d6t s THR 34 N 0.10 0.08 -0.02 -0.71 -4.23 -0.84 -1.24 115.64 108.78 1d6t s THR 34 Ca 0.05 -0.66 -0.30 0.00 -1.18 0.00 0.00 61.69 59.61 1d6t s THR 34 Cb -0.12 -0.67 0.11 0.00 1.34 0.00 0.00 72.50 73.16 1d6t s THR 34 CO 0.01 -0.36 1.29 0.00 -0.54 0.00 0.00 174.62 175.02 1d6t s ASN 36 N -3.30 0.24 0.30 0.00 2.47 -1.26 -3.96 114.94 109.42 1d6t s ASN 36 Ca 0.20 -1.71 0.04 0.00 0.42 0.00 0.00 52.86 51.81 1d6t s ASN 36 Cb 0.03 0.90 0.66 0.00 -1.45 0.00 0.00 41.25 41.39 1d6t s ASN 36 CO -0.03 -0.19 1.81 0.78 -3.72 0.00 0.00 177.10 175.75 1d6t h ASN 37 N 6.44 0.85 0.00 -4.21 4.21 -2.00 -3.42 115.58 117.45 1d6t h ASN 37 Ca 0.09 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.67 1d6t h ASN 37 Cb 1.07 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.17 1d6t h ASN 37 CO 0.17 0.38 0.00 1.17 -1.29 0.00 0.00 177.43 177.86 1d6t n LYS 38 N -4.69 0.00 -3.26 0.81 4.81 -1.26 -5.14 118.16 109.43 1d6t n LYS 38 Ca 0.21 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.68 1d6t n LYS 38 Cb 0.47 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.48 1d6t n LYS 38 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1d6t s GLU 39 N -1.27 0.13 0.00 1.64 -1.05 -1.26 -5.18 118.70 111.71 1d6t s GLU 39 Ca 0.00 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1d6t s GLU 39 Cb 0.00 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1d6t s GLU 39 CO 0.00 -0.04 0.00 1.51 0.95 0.00 0.00 175.26 177.68 1d6t n ILE 40 N 4.70 0.00 -1.68 1.83 0.13 -1.26 -5.03 119.36 118.05 1d6t n ILE 40 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.58 1d6t n ILE 40 Cb 0.54 -1.90 0.00 0.00 -0.84 0.00 0.00 39.64 37.45 1d6t n ILE 40 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1d6t n ASP 41 N -1.88 0.00 0.00 9.51 9.92 -1.26 -4.99 116.55 127.86 1d6t n ASP 41 Ca 0.00 -1.53 0.00 0.00 -0.53 0.00 0.00 54.79 52.73 1d6t n ASP 41 Cb 0.00 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1d6t n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d6t n HIS 42 N 0.00 0.00 -2.56 1.24 1.44 -1.26 -4.97 115.22 109.10 1d6t n HIS 42 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 1d6t n HIS 42 Cb 0.61 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.69 1d6t n HIS 42 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1d6t s PHE 43 N -2.00 2.71 -0.50 -1.40 -0.71 -1.24 -3.15 117.98 111.69 1d6t s PHE 43 Ca 0.00 0.64 -0.28 0.00 -1.04 0.00 0.00 56.93 56.25 1d6t s PHE 43 Cb 0.00 -4.45 0.03 0.00 -1.21 0.00 0.00 43.02 37.39 1d6t s PHE 43 CO 0.00 -1.44 1.09 1.03 -1.34 0.00 0.00 175.22 174.56 1d6t s ARG 44 N 4.65 3.60 -0.51 1.99 0.52 -1.26 -4.60 118.95 123.35 1d6t s ARG 44 Ca 0.48 0.33 -0.28 0.00 -0.52 0.00 0.00 55.73 55.75 1d6t s ARG 44 Cb -0.08 -3.95 0.03 0.00 0.52 0.00 0.00 34.95 31.47 1d6t s ARG 44 CO 0.31 -1.42 1.12 -0.51 0.02 0.00 0.00 175.30 174.81 1d6t s LEU 45 N 4.37 3.64 0.07 2.53 1.43 -0.98 -0.43 118.68 129.31 1d6t s LEU 45 Ca 0.43 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.89 1d6t s LEU 45 Cb -0.08 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1d6t s LEU 45 CO 0.28 -1.30 -0.16 -0.83 0.23 0.00 0.00 176.35 174.57 1d6t s GLY 46 N 2.61 1.65 -0.01 -3.19 0.00 0.21 -3.91 107.32 104.68 1d6t s GLY 46 Ca 0.45 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1d6t s GLY 46 CO 0.29 -1.15 -0.00 -0.42 0.00 0.00 0.00 173.10 171.82 1d6t s ILE 47 N -1.03 0.06 0.10 0.90 -1.09 -1.26 -0.51 121.20 118.37 1d6t s ILE 47 Ca 0.17 0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.61 1d6t s ILE 47 Cb -0.11 -0.09 -0.01 0.00 -1.58 0.00 0.00 42.46 40.68 1d6t s ILE 47 CO 0.08 0.04 0.10 -1.20 -1.23 0.00 0.00 174.94 172.73 1d6t n SER 48 N 3.30 -0.27 -3.60 3.58 7.64 -0.72 -4.94 113.62 118.60 1d6t n SER 48 Ca -0.16 -1.64 -0.08 0.00 1.01 0.00 0.00 58.87 58.00 1d6t n SER 48 Cb 0.58 0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 64.34 1d6t n SER 48 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1d6t s VAL 49 N -2.45 0.00 0.32 0.44 1.01 -1.26 -3.82 120.40 114.64 1d6t s VAL 49 Ca 0.11 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1d6t s VAL 49 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1d6t s VAL 49 CO 0.08 0.00 0.47 -0.55 0.00 0.00 0.00 175.10 175.10 1d6t s SER 50 N -2.76 6.11 0.00 3.32 0.15 -1.25 -4.84 113.70 114.44 1d6t s SER 50 Ca 0.06 0.05 0.24 0.00 0.70 0.00 0.00 55.95 57.01 1d6t s SER 50 Cb -0.02 -1.59 0.40 0.00 -1.71 0.00 0.00 66.02 63.10 1d6t s SER 50 CO -0.05 -0.33 1.38 0.29 1.20 0.00 0.00 173.24 175.74 1d6t n LYS 51 N -1.65 2.28 -0.00 5.44 5.02 -1.26 -3.86 118.16 124.12 1d6t n LYS 51 Ca -0.04 -1.89 0.09 0.00 -2.02 0.00 0.00 58.31 54.45 1d6t n LYS 51 Cb 0.57 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.98 1d6t n LYS 51 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1d6t n LYS 52 N 1.20 0.82 0.00 1.97 4.81 -1.26 -4.67 118.16 121.03 1d6t n LYS 52 Ca 0.17 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1d6t n LYS 52 Cb 0.56 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1d6t n LEU 53 N -1.82 0.00 0.00 3.14 7.94 -1.25 -5.00 117.00 120.01 1d6t n LEU 53 Ca -0.00 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1d6t n LEU 53 Cb 0.39 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1d6t n LEU 53 CO 0.37 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.21 1d6t n GLY 54 N -0.89 -0.89 0.00 -3.96 0.00 -1.26 -4.85 105.19 93.35 1d6t n GLY 54 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1d6t n GLY 54 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1d6t n ASN 55 N 0.00 0.00 -0.01 1.61 5.15 -1.26 -5.02 115.26 115.73 1d6t n ASN 55 Ca 0.00 -1.00 0.06 0.00 -0.60 0.00 0.00 54.58 53.04 1d6t n ASN 55 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 1d6t n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1d6t n ALA 56 N -3.00 2.45 0.08 5.20 0.00 -1.26 -3.84 120.51 120.13 1d6t n ALA 56 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 1d6t n ALA 56 Cb 0.00 -0.45 0.24 0.00 0.00 0.00 0.00 19.45 19.24 1d6t n ALA 56 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1d6t h VAL 57 N 0.00 1.28 0.13 0.00 3.04 -1.99 -0.37 116.25 118.34 1d6t h VAL 57 Ca -0.04 -1.34 -0.21 0.00 -1.01 0.00 0.00 66.70 64.11 1d6t h VAL 57 Cb 0.78 1.52 0.02 0.00 -2.01 0.00 0.00 31.29 31.60 1d6t h VAL 57 CO 0.00 0.41 -0.96 0.17 -1.01 0.00 0.00 177.57 176.18 1d6t h LEU 58 N 0.26 0.45 -0.41 3.16 -0.00 -1.94 -3.21 115.31 113.62 1d6t h LEU 58 Ca 0.03 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 56.99 1d6t h LEU 58 Cb 0.71 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1d6t h LEU 58 CO 0.05 1.45 0.00 -2.11 -0.00 0.00 0.00 178.44 177.83 1d6t n ARG 59 N -4.08 0.07 0.03 0.17 1.85 -1.16 -1.03 116.66 112.51 1d6t n ARG 59 Ca -0.17 0.43 -0.08 0.00 -1.00 0.00 0.00 57.85 57.03 1d6t n ARG 59 Cb 0.84 -1.66 -0.13 0.00 -1.05 0.00 0.00 32.46 30.46 1d6t n ARG 59 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1d6t h ASN 60 N 0.00 0.02 0.65 2.89 -0.73 -1.07 -3.11 115.58 114.24 1d6t h ASN 60 Ca 0.00 -0.03 -0.18 0.00 1.87 0.00 0.00 56.30 57.96 1d6t h ASN 60 Cb 0.16 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 1d6t h ASN 60 CO 0.00 1.03 -0.82 0.50 -0.37 0.00 0.00 177.43 177.77 1d6t h LYS 61 N 0.00 0.11 0.00 6.67 1.63 -1.09 2.13 116.57 126.03 1d6t h LYS 61 Ca -0.14 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.47 1d6t h LYS 61 Cb 1.89 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.54 1d6t h LYS 61 CO 0.11 0.86 -0.34 0.82 -3.45 0.00 0.00 179.45 177.45 1d6t h ILE 62 N 0.07 0.88 0.01 2.00 2.04 -1.52 -1.82 117.51 119.16 1d6t h ILE 62 Ca -0.03 -1.37 -0.38 0.00 1.00 0.00 0.00 64.86 64.08 1d6t h ILE 62 Cb 1.42 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 39.26 1d6t h ILE 62 CO 0.12 0.33 -2.43 1.17 0.00 0.00 0.00 178.15 177.34 1d6t n LYS 63 N -3.61 0.66 0.11 2.37 0.00 -1.11 -4.19 118.16 112.40 1d6t n LYS 63 Ca -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 58.31 58.39 1d6t n LYS 63 Cb 0.46 -1.54 -0.03 0.00 0.00 0.00 0.00 35.03 33.93 1d6t n LYS 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1d6t h ARG 64 N 0.00 -0.30 -0.98 1.64 2.43 0.35 -0.12 114.38 117.40 1d6t h ARG 64 Ca -0.56 0.02 0.35 0.00 -0.81 0.00 0.00 59.98 58.98 1d6t h ARG 64 Cb 1.95 0.07 -0.18 0.00 -0.42 0.00 0.00 29.97 31.39 1d6t h ARG 64 CO -0.06 -0.20 0.30 0.00 -1.51 0.00 0.00 179.97 178.50 1d6t n ALA 65 N -2.29 0.79 -0.06 2.80 0.00 -0.69 0.24 120.51 121.30 1d6t n ALA 65 Ca -0.04 1.03 -0.09 0.00 0.00 0.00 0.00 53.44 54.33 1d6t n ALA 65 Cb 0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1d6t n ALA 65 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1d6t h ILE 66 N 0.00 1.04 0.00 0.00 1.08 -1.61 1.36 117.51 119.38 1d6t h ILE 66 Ca 0.73 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 65.09 1d6t h ILE 66 Cb 1.78 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 1d6t h ILE 66 CO -0.83 0.06 0.00 -1.14 -0.69 0.00 0.00 178.15 175.54 1d6t n ARG 67 N -4.94 0.28 0.00 2.37 0.63 0.66 0.12 116.66 115.78 1d6t n ARG 67 Ca -0.02 0.11 0.01 0.00 -0.92 0.00 0.00 57.85 57.03 1d6t n ARG 67 Cb 0.04 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.45 1d6t n ARG 67 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1d6t n GLU 68 N -1.24 1.05 -0.02 -0.14 1.02 0.56 -4.39 120.64 117.48 1d6t n GLU 68 Ca 0.08 -0.50 -0.04 0.00 -0.02 0.00 0.00 57.16 56.69 1d6t n GLU 68 Cb 0.11 -0.94 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 1d6t n GLU 68 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1d6t n ASN 69 N -0.15 2.35 0.00 1.62 2.85 0.44 -4.58 115.26 117.80 1d6t n ASN 69 Ca 0.01 0.01 0.12 0.00 -0.11 0.00 0.00 54.58 54.61 1d6t n ASN 69 Cb 0.06 -0.10 0.72 0.00 1.24 0.00 0.00 39.78 41.69 1d6t n ASN 69 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1d6t n PHE 70 N -2.86 0.00 0.10 1.20 7.35 0.32 -2.76 117.46 120.80 1d6t n PHE 70 Ca -0.09 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.40 1d6t n PHE 70 Cb 0.58 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.26 1d6t n PHE 70 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 1d6t h LYS 71 N 0.00 0.37 0.22 -4.13 2.10 -1.77 -2.98 116.57 110.38 1d6t h LYS 71 Ca 0.00 -0.63 -0.33 0.00 -2.00 0.00 0.00 60.65 57.68 1d6t h LYS 71 Cb 0.00 0.24 0.02 0.00 -0.90 0.00 0.00 32.23 31.59 1d6t h LYS 71 CO 0.00 1.27 -1.55 -0.39 -2.00 0.00 0.00 179.45 176.78 1d6t h VAL 72 N 0.10 1.14 0.00 0.07 -1.51 -1.80 -3.18 116.25 111.07 1d6t h VAL 72 Ca -0.25 -2.60 0.00 0.00 -1.23 0.00 0.00 66.70 62.62 1d6t h VAL 72 Cb 2.07 2.93 0.00 0.00 -2.13 0.00 0.00 31.29 34.16 1d6t h VAL 72 CO 0.21 0.82 0.00 1.41 -1.23 0.00 0.00 177.57 178.78 1d6t n HIS 73 N -3.71 0.00 0.30 5.19 8.25 -1.11 -2.03 115.22 122.12 1d6t n HIS 73 Ca -0.20 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.42 1d6t n HIS 73 Cb 1.07 -0.22 0.75 0.00 1.12 0.00 0.00 29.99 32.71 1d6t n HIS 73 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1d6t h LYS 74 N 0.00 0.00 -0.76 -0.41 3.11 -1.50 -0.59 116.57 116.42 1d6t h LYS 74 Ca 0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1d6t h LYS 74 Cb 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.28 1d6t h LYS 74 CO 0.00 0.00 0.09 0.45 -2.81 0.00 0.00 179.45 177.18 1d6t n SER 75 N -2.74 4.24 -1.04 4.20 2.88 -0.86 -3.79 113.62 116.50 1d6t n SER 75 Ca -0.00 -2.76 -0.04 0.00 -1.33 0.00 0.00 58.87 54.74 1d6t n SER 75 Cb 0.19 -0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 62.95 1d6t n SER 75 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1d6t n HIS 76 N 0.23 0.00 -4.31 0.66 8.25 -0.24 -5.12 115.22 114.69 1d6t n HIS 76 Ca 0.24 -0.44 -0.23 0.00 -0.26 0.00 0.00 57.72 57.03 1d6t n HIS 76 Cb 1.01 0.33 -0.08 0.00 1.12 0.00 0.00 29.99 32.37 1d6t n HIS 76 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1d6t s ILE 77 N 0.00 3.20 0.36 1.59 1.01 -1.14 -3.56 121.20 122.66 1d6t s ILE 77 Ca 0.07 -1.96 0.03 0.00 0.00 0.00 0.00 60.65 58.79 1d6t s ILE 77 Cb 0.08 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1d6t s ILE 77 CO -0.03 -0.34 0.09 -1.48 0.00 0.00 0.00 174.94 173.17 1d6t s LEU 78 N -3.67 2.05 0.04 2.97 -0.00 -1.10 -4.90 118.68 114.06 1d6t s LEU 78 Ca 0.32 -1.51 -0.30 0.00 -0.00 0.00 0.00 54.13 52.64 1d6t s LEU 78 Cb -0.05 -0.23 -0.08 0.00 -0.00 0.00 0.00 46.19 45.83 1d6t s LEU 78 CO 0.19 -0.77 1.77 0.00 -0.00 0.00 0.00 176.35 177.55 1d6t s ALA 79 N -3.30 3.65 0.00 1.48 0.00 -1.26 -3.68 121.76 118.66 1d6t s ALA 79 Ca 0.31 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1d6t s ALA 79 Cb 0.06 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1d6t s ALA 79 CO 0.15 -1.32 0.00 1.63 0.00 0.00 0.00 175.76 176.21 1d6t n LYS 80 N 6.51 0.00 -1.51 0.00 5.02 -1.19 -4.84 118.16 122.15 1d6t n LYS 80 Ca 0.18 0.00 -0.59 0.00 -2.02 0.00 0.00 58.31 55.87 1d6t n LYS 80 Cb 0.41 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.34 1d6t n LYS 80 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1d6t n ASP 81 N 0.00 0.29 -4.01 4.39 5.68 -1.25 -4.03 116.55 117.61 1d6t n ASP 81 Ca 0.00 1.13 -0.19 0.00 -0.50 0.00 0.00 54.79 55.23 1d6t n ASP 81 Cb 0.00 -0.88 -0.15 0.00 -1.14 0.00 0.00 41.12 38.95 1d6t n ASP 81 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1d6t s ILE 82 N 0.73 0.71 -0.23 2.12 -1.16 0.42 -3.78 121.20 120.02 1d6t s ILE 82 Ca 0.91 -0.36 -0.05 0.00 -0.51 0.00 0.00 60.65 60.64 1d6t s ILE 82 Cb -1.28 -0.61 0.11 0.00 0.61 0.00 0.00 42.46 41.29 1d6t s ILE 82 CO 0.61 0.21 0.43 -0.63 -2.81 0.00 0.00 174.94 172.75 1d6t s ILE 83 N -0.07 -0.68 -0.25 2.00 1.01 -0.37 0.63 121.20 123.47 1d6t s ILE 83 Ca 0.01 0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 1d6t s ILE 83 Cb -0.05 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1d6t s ILE 83 CO -0.00 0.00 0.28 0.68 0.00 0.00 0.00 174.94 175.90 1d6t s VAL 84 N 2.63 5.25 0.25 2.92 -7.23 0.33 0.23 120.40 124.78 1d6t s VAL 84 Ca 0.04 0.40 0.10 0.00 -1.81 0.00 0.00 61.98 60.72 1d6t s VAL 84 Cb -0.13 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.15 1d6t s VAL 84 CO -0.15 0.24 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.16 1d6t s ILE 85 N 1.64 3.04 -0.55 -0.62 -1.09 0.40 -1.76 121.20 122.27 1d6t s ILE 85 Ca 0.12 -2.04 -0.19 0.00 -2.23 0.00 0.00 60.65 56.31 1d6t s ILE 85 Cb -0.15 -2.59 0.09 0.00 -1.58 0.00 0.00 42.46 38.23 1d6t s ILE 85 CO 0.09 -0.33 0.64 0.00 -1.23 0.00 0.00 174.94 174.11 1d6t s ALA 86 N -2.25 3.43 0.00 9.38 0.00 -1.25 -0.92 121.76 130.15 1d6t s ALA 86 Ca 0.29 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1d6t s ALA 86 Cb -0.06 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1d6t s ALA 86 CO 0.17 -2.16 0.73 0.54 0.00 0.00 0.00 175.76 175.03 1d6t n ARG 87 N 6.12 0.00 0.00 0.00 5.12 -0.43 -3.76 116.66 123.71 1d6t n ARG 87 Ca -0.09 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 1d6t n ARG 87 Cb 0.43 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 1d6t n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d6t n GLN 88 N -2.62 0.00 0.00 5.56 10.64 -1.26 -4.78 117.38 124.92 1d6t n GLN 88 Ca 0.00 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.25 1d6t n GLN 88 Cb 0.00 0.00 0.50 0.00 -0.86 0.00 0.00 30.24 29.88 1d6t n GLN 88 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1d6t n PRO 89 N 0.00 0.75 0.18 2.61 -0.04 -1.26 -2.68 135.00 134.56 1d6t n PRO 89 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1d6t n PRO 89 Cb 0.00 -1.35 0.25 0.00 -0.04 0.00 0.00 33.50 32.36 1d6t n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d6t h ALA 90 N 3.21 0.88 -1.16 0.55 0.00 -1.92 -3.16 119.26 117.66 1d6t h ALA 90 Ca 0.00 -0.37 0.43 0.00 0.00 0.00 0.00 54.91 54.98 1d6t h ALA 90 Cb 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 17.57 1d6t h ALA 90 CO 0.00 0.50 0.69 1.57 0.00 0.00 0.00 179.25 182.01 1d6t h LYS 91 N 0.00 0.03 -2.11 0.00 2.10 -1.84 0.95 116.57 115.71 1d6t h LYS 91 Ca -0.00 -0.00 -0.74 0.00 -2.00 0.00 0.00 60.65 57.91 1d6t h LYS 91 Cb 1.05 -0.01 -0.31 0.00 -0.90 0.00 0.00 32.23 32.06 1d6t h LYS 91 CO 0.05 0.02 0.58 -0.25 -2.00 0.00 0.00 179.45 177.85 1d6t n ASP 92 N -5.02 6.65 -4.02 7.07 8.00 -1.20 -4.96 116.55 123.07 1d6t n ASP 92 Ca 0.38 -3.73 -0.16 0.00 0.71 0.00 0.00 54.79 51.99 1d6t n ASP 92 Cb 1.37 -0.97 -0.13 0.00 -0.02 0.00 0.00 41.12 41.38 1d6t n ASP 92 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1d6t s MET 93 N -4.04 0.54 0.03 -1.24 1.75 0.33 -5.12 119.30 111.55 1d6t s MET 93 Ca 0.45 -0.43 -0.01 0.00 -1.25 0.00 0.00 55.69 54.44 1d6t s MET 93 Cb 0.29 -0.46 -0.04 0.00 2.84 0.00 0.00 34.83 37.47 1d6t s MET 93 CO -0.22 0.11 0.20 0.95 -0.65 0.00 0.00 175.02 175.41 1d6t s THR 94 N -0.59 5.40 0.62 10.11 -4.23 -1.26 -4.96 115.64 120.73 1d6t s THR 94 Ca -0.02 -0.28 0.26 0.00 -1.18 0.00 0.00 61.69 60.47 1d6t s THR 94 Cb -0.05 -3.58 0.33 0.00 1.34 0.00 0.00 72.50 70.54 1d6t s THR 94 CO 0.00 0.23 1.70 0.74 -0.54 0.00 0.00 174.62 176.75 1d6t h THR 95 N 2.44 0.18 -0.70 3.99 2.02 -1.99 1.00 112.91 119.85 1d6t h THR 95 Ca -0.47 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 1d6t h THR 95 Cb 1.17 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1d6t h THR 95 CO 0.73 0.00 0.18 0.25 0.37 0.00 0.00 175.52 177.04 1d6t h LEU 96 N 0.00 1.04 -0.05 2.58 7.12 -2.00 -1.52 115.31 122.48 1d6t h LEU 96 Ca 0.21 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1d6t h LEU 96 Cb 1.50 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1d6t h LEU 96 CO -0.00 1.00 0.00 1.56 -0.13 0.00 0.00 178.44 180.86 1d6t h GLN 97 N 1.05 0.00 0.23 1.25 4.20 0.64 -3.00 115.11 119.47 1d6t h GLN 97 Ca 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1d6t h GLN 97 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1d6t h GLN 97 CO 0.00 0.00 -0.11 0.82 -0.67 0.00 0.00 178.83 178.87 1d6t h ILE 98 N 0.00 0.00 0.00 2.54 2.04 -0.71 -0.06 117.51 121.32 1d6t h ILE 98 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1d6t h ILE 98 Cb 0.82 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1d6t h ILE 98 CO 0.00 0.00 0.05 1.56 0.00 0.00 0.00 178.15 179.76 1d6t h GLN 99 N -0.70 0.00 0.11 2.37 4.20 -1.45 0.59 115.11 120.23 1d6t h GLN 99 Ca -0.03 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.36 1d6t h GLN 99 Cb 0.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1d6t h GLN 99 CO 0.05 0.00 -1.63 -0.91 -0.67 0.00 0.00 178.83 175.67 1d6t h ASN 100 N 0.00 0.35 0.76 1.46 2.35 -1.49 -3.33 115.58 115.68 1d6t h ASN 100 Ca 0.00 -0.55 -0.25 0.00 -0.55 0.00 0.00 56.30 54.95 1d6t h ASN 100 Cb 0.10 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1d6t h ASN 100 CO 0.00 1.47 -1.18 0.28 -1.65 0.00 0.00 177.43 176.35 1d6t h SER 101 N 0.06 0.24 -0.62 5.81 0.02 0.14 -3.20 113.55 116.00 1d6t h SER 101 Ca -0.28 -0.27 0.18 0.00 -0.84 0.00 0.00 61.79 60.59 1d6t h SER 101 Cb 2.02 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.46 1d6t h SER 101 CO 0.14 1.21 0.46 -0.07 -1.14 0.00 0.00 176.83 177.43 1d6t h LEU 102 N 0.04 0.00 0.00 5.07 3.38 -0.12 1.66 115.31 125.34 1d6t h LEU 102 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1d6t h LEU 102 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1d6t h LEU 102 CO 0.17 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.08 1d6t n GLU 103 N -4.30 0.76 0.00 1.13 -0.58 -1.21 -2.83 120.64 113.60 1d6t n GLU 103 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1d6t n GLU 103 Cb 0.70 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1d6t n GLU 103 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1d6t n HIS 104 N -0.97 0.00 -0.36 -0.32 -0.00 0.51 -4.36 115.22 109.72 1d6t n HIS 104 Ca 0.17 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.39 1d6t n HIS 104 Cb 0.08 0.17 0.12 0.00 -0.12 0.00 0.00 29.99 30.24 1d6t n HIS 104 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1d6t n VAL 105 N -2.02 -0.44 -0.04 3.57 3.14 0.20 0.13 118.33 122.88 1d6t n VAL 105 Ca 0.00 2.27 -0.17 0.00 -2.96 0.00 0.00 64.34 63.48 1d6t n VAL 105 Cb 0.00 -3.11 -0.07 0.00 -1.06 0.00 0.00 33.84 29.60 1d6t n VAL 105 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1d6t h LEU 106 N 0.00 0.92 -1.99 6.55 8.10 -1.65 -2.31 115.31 124.93 1d6t h LEU 106 Ca 0.45 -0.61 0.15 0.00 0.11 0.00 0.00 57.88 57.98 1d6t h LEU 106 Cb 0.69 -0.27 -0.02 0.00 -0.44 0.00 0.00 40.66 40.62 1d6t h LEU 106 CO -1.01 1.37 0.45 0.50 -4.11 0.00 0.00 178.44 175.65 1d6t h LYS 107 N 0.53 0.00 0.18 0.17 3.11 0.11 0.22 116.57 120.89 1d6t h LYS 107 Ca -0.03 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.50 1d6t h LYS 107 Cb 1.32 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.56 1d6t h LYS 107 CO 0.14 0.00 -1.47 0.82 -2.81 0.00 0.00 179.45 176.13 1d6t h ILE 108 N 0.00 1.11 -1.67 2.00 2.04 0.54 -3.29 117.51 118.24 1d6t h ILE 108 Ca 0.24 -2.52 0.50 0.00 1.00 0.00 0.00 64.86 64.08 1d6t h ILE 108 Cb 1.15 2.87 -0.08 0.00 -0.74 0.00 0.00 36.82 40.01 1d6t h ILE 108 CO -0.00 0.79 1.18 0.00 0.00 0.00 0.00 178.15 180.12 1d6t h ALA 109 N 0.07 3.47 -0.89 1.87 0.00 0.01 -3.44 119.26 120.36 1d6t h ALA 109 Ca -0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1d6t h ALA 109 Cb 1.96 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.90 1d6t h ALA 109 CO 0.16 -2.01 -0.05 1.17 0.00 0.00 0.00 179.25 178.53 1d6t n LYS 110 N -4.15 -0.41 -0.15 0.00 4.81 -1.08 -4.71 118.16 112.46 1d6t n LYS 110 Ca 0.39 0.07 0.11 0.00 -0.87 0.00 0.00 58.31 58.01 1d6t n LYS 110 Cb 1.73 -3.15 0.19 0.00 0.02 0.00 0.00 35.03 33.82 1d6t n LYS 110 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1d6t n VAL 111 N -3.25 0.44 -4.28 3.15 0.24 -1.26 -4.87 118.33 108.49 1d6t n VAL 111 Ca -0.01 -0.72 -0.34 0.00 -2.04 0.00 0.00 64.34 61.24 1d6t n VAL 111 Cb 0.51 1.04 -0.15 0.00 -1.47 0.00 0.00 33.84 33.77 1d6t n VAL 111 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1d6t s PHE 112 N -1.48 2.82 0.27 6.34 0.40 -1.26 -2.73 117.98 122.34 1d6t s PHE 112 Ca 0.35 -1.17 0.14 0.00 -0.60 0.00 0.00 56.93 55.65 1d6t s PHE 112 Cb 0.21 -1.95 0.95 0.00 0.51 0.00 0.00 43.02 42.75 1d6t s PHE 112 CO 0.30 -0.57 1.17 0.09 0.70 0.00 0.00 175.22 176.90 1d6t n ASN 113 N 4.36 0.22 0.00 1.36 3.02 -1.23 -4.60 115.26 118.40 1d6t n ASN 113 Ca -0.19 1.23 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1d6t n ASN 113 Cb 0.51 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1d6t n ASN 113 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1d6t n LYS 114 N -4.71 0.00 -2.77 3.52 5.02 -1.26 -5.10 118.16 112.86 1d6t n LYS 114 Ca 0.27 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.53 1d6t n LYS 114 Cb 0.91 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.94 1d6t n LYS 114 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1d6t s LYS 115 N 0.26 0.76 0.44 1.97 2.36 -1.26 -5.03 119.74 119.23 1d6t s LYS 115 Ca 0.00 -0.70 -0.24 0.00 -2.55 0.00 0.00 55.97 52.48 1d6t s LYS 115 Cb 0.00 -0.02 -0.10 0.00 -1.05 0.00 0.00 37.83 36.66 1d6t s LYS 115 CO 0.00 -0.95 1.06 -0.89 1.55 0.00 0.00 175.35 176.12 1d6t n ILE 116 N 3.01 2.57 1.82 5.43 2.08 -1.26 -5.24 119.36 127.77 1d6t n ILE 116 Ca 0.15 -0.50 0.15 0.00 0.56 0.00 0.00 62.75 63.10 1d6t n ILE 116 Cb 0.59 -1.24 0.86 0.00 -0.75 0.00 0.00 39.64 39.11 1d6t n ILE 116 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40