#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 0.00 0.00 4.03 0.00 -1.26 -5.15 117.00 114.62 1d6t n LEU 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1d6t n LEU 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1d6t n LEU 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.39 177.28 1d6t n LEU 3 N 0.00 0.00 0.00 -1.96 -0.00 -1.26 -5.00 117.00 108.78 1d6t n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1d6t n LEU 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1d6t n LEU 3 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.60 1d6t n GLU 4 N 0.00 0.00 0.00 1.96 2.13 -1.26 -3.18 120.64 120.29 1d6t n GLU 4 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1d6t n GLU 4 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 1d6t n GLU 4 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1d6t n LYS 5 N 7.72 0.06 0.00 5.31 2.85 -1.26 0.04 118.16 132.88 1d6t n LYS 5 Ca 0.00 0.27 0.13 0.00 -1.05 0.00 0.00 58.31 57.67 1d6t n LYS 5 Cb 0.00 -1.50 0.49 0.00 -0.65 0.00 0.00 35.03 33.37 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 -1.33 2.91 -1.75 0.58 0.00 -1.19 -3.89 120.51 115.83 1d6t n ALA 6 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1d6t n ALA 6 Cb 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.22 0.00 -4.16 0.00 4.02 0.11 -4.96 117.16 110.94 1d6t n TYR 7 Ca 0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.64 1d6t n TYR 7 Cb 0.31 0.06 -0.13 0.00 -0.02 0.00 0.00 39.34 39.57 1d6t n TYR 7 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1d6t s ARG 8 N 0.00 3.52 -0.77 -0.72 3.00 0.80 0.78 118.95 125.55 1d6t s ARG 8 Ca 0.00 -0.57 -0.25 0.00 -1.00 0.00 0.00 55.73 53.90 1d6t s ARG 8 Cb 0.00 -2.98 0.04 0.00 0.00 0.00 0.00 34.95 32.01 1d6t s ARG 8 CO 0.00 0.00 1.25 0.42 0.00 0.00 0.00 175.30 176.97 1d6t s ILE 9 N 0.98 3.88 -0.87 4.11 1.01 -1.26 -4.73 121.20 124.33 1d6t s ILE 9 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1d6t s ILE 9 Cb -0.15 -4.90 0.17 0.00 0.01 0.00 0.00 42.46 37.59 1d6t s ILE 9 CO 0.01 -1.80 1.02 1.17 0.00 0.00 0.00 174.94 175.35 1d6t n LYS 10 N 8.95 1.79 -3.93 2.79 4.81 -1.26 -4.81 118.16 126.51 1d6t n LYS 10 Ca 0.07 -1.55 -0.31 0.00 -0.87 0.00 0.00 58.31 55.65 1d6t n LYS 10 Cb 0.49 -1.19 -0.04 0.00 0.02 0.00 0.00 35.03 34.30 1d6t n LYS 10 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1d6t s LYS 11 N -0.88 3.41 -0.02 1.64 1.02 -1.26 -5.04 119.74 118.61 1d6t s LYS 11 Ca 0.15 -0.44 -0.19 0.00 0.02 0.00 0.00 55.97 55.51 1d6t s LYS 11 Cb 0.08 -3.03 -0.11 0.00 -0.52 0.00 0.00 37.83 34.26 1d6t s LYS 11 CO 0.12 0.61 0.81 -0.91 -0.92 0.00 0.00 175.35 175.06 1d6t h ASN 12 N 3.17 -0.59 -0.70 2.83 2.35 -1.98 -2.42 115.58 118.24 1d6t h ASN 12 Ca -0.45 0.02 0.15 0.00 -0.55 0.00 0.00 56.30 55.47 1d6t h ASN 12 Cb 1.16 0.15 -0.12 0.00 0.05 0.00 0.00 38.32 39.56 1d6t h ASN 12 CO 0.75 -0.18 -0.02 0.00 -1.65 0.00 0.00 177.43 176.32 1d6t h ALA 13 N -1.21 0.68 -0.62 -0.83 0.00 -1.96 1.77 119.26 117.09 1d6t h ALA 13 Ca -0.07 0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.21 1d6t h ALA 13 Cb 0.53 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1d6t h ALA 13 CO 0.12 -0.41 0.42 -0.44 0.00 0.00 0.00 179.25 178.94 1d6t h ASP 14 N 0.09 0.21 0.45 0.00 5.19 -1.98 1.53 116.42 121.92 1d6t h ASP 14 Ca 0.37 0.01 -0.30 0.00 -0.62 0.00 0.00 57.03 56.49 1d6t h ASP 14 Cb 0.63 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1d6t h ASP 14 CO -0.63 0.11 -1.59 -0.26 -3.12 0.00 0.00 179.24 173.75 1d6t h PHE 15 N 0.22 0.34 -0.05 4.55 0.04 0.24 -3.36 116.94 118.92 1d6t h PHE 15 Ca 0.30 -0.25 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 1d6t h PHE 15 Cb 0.86 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1d6t h PHE 15 CO -0.00 1.33 -0.15 1.96 -0.60 0.00 0.00 178.31 180.86 1d6t h GLN 16 N 0.05 0.19 -0.82 1.51 4.20 0.38 -2.54 115.11 118.08 1d6t h GLN 16 Ca -0.26 -0.13 0.24 0.00 0.06 0.00 0.00 58.65 58.55 1d6t h GLN 16 Cb 2.00 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.77 1d6t h GLN 16 CO 0.13 0.75 0.92 0.00 -0.67 0.00 0.00 178.83 179.97 1d6t h ARG 17 N -0.34 0.00 0.01 1.46 -0.00 0.19 1.41 114.38 117.11 1d6t h ARG 17 Ca -0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.30 1d6t h ARG 17 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.71 1d6t h ARG 17 CO 0.03 0.00 -0.97 0.82 0.00 0.00 0.00 179.97 179.85 1d6t h ILE 18 N 0.00 1.14 0.00 2.04 1.08 -1.67 -1.55 117.51 118.55 1d6t h ILE 18 Ca 0.39 -2.24 0.00 0.00 -0.39 0.00 0.00 64.86 62.62 1d6t h ILE 18 Cb 2.23 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 38.54 1d6t h ILE 18 CO -0.00 0.43 0.00 -1.22 -0.69 0.00 0.00 178.15 176.66 1d6t n TYR 19 N -4.42 0.00 0.00 1.37 4.02 0.19 -0.81 117.16 117.51 1d6t n TYR 19 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 1d6t n TYR 19 Cb 0.66 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1d6t n TYR 19 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1d6t n LYS 20 N -1.12 0.00 0.13 -0.72 0.00 0.43 -4.81 118.16 112.07 1d6t n LYS 20 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.45 1d6t n LYS 20 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.14 1d6t n LYS 20 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1d6t h LYS 21 N 0.00 0.00 -7.12 1.64 1.79 -1.66 -3.46 116.57 107.75 1d6t h LYS 21 Ca 0.00 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.01 1d6t h LYS 21 Cb 0.00 0.00 0.22 0.00 -1.58 0.00 0.00 32.23 30.87 1d6t h LYS 21 CO 0.00 0.50 -0.03 0.41 -1.08 0.00 0.00 179.45 179.25 1d6t n GLY 22 N 1.24 -1.74 2.81 3.86 0.00 0.01 -5.00 105.19 106.38 1d6t n GLY 22 Ca 0.01 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.44 1.65 0.30 1.61 5.04 0.46 -4.72 115.29 117.19 1d6t s HIS 23 Ca 0.68 -1.35 -0.03 0.00 -1.54 0.00 0.00 55.06 52.81 1d6t s HIS 23 Cb -0.24 -1.37 -0.05 0.00 0.04 0.00 0.00 32.58 30.96 1d6t s HIS 23 CO 0.64 -0.72 0.54 -1.54 -2.34 0.00 0.00 174.74 171.32 1d6t s SER 24 N 1.64 6.40 -0.02 9.88 1.04 -1.26 -2.81 113.70 128.57 1d6t s SER 24 Ca -0.00 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.07 1d6t s SER 24 Cb -0.18 -2.11 0.01 0.00 0.10 0.00 0.00 66.02 63.84 1d6t s SER 24 CO -0.10 -0.21 -0.03 0.68 0.98 0.00 0.00 173.24 174.55 1d6t s VAL 25 N -2.14 0.34 -0.03 5.02 -7.23 0.10 -4.95 120.40 111.52 1d6t s VAL 25 Ca 0.43 -0.10 0.07 0.00 -1.81 0.00 0.00 61.98 60.56 1d6t s VAL 25 Cb -0.10 -0.35 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 1d6t s VAL 25 CO 0.32 0.14 -0.23 0.00 -0.31 0.00 0.00 175.10 175.01 1d6t s ALA 26 N 0.40 1.95 0.00 1.32 0.00 -1.26 -0.08 121.76 124.11 1d6t s ALA 26 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1d6t s ALA 26 Cb -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1d6t s ALA 26 CO -0.01 0.44 0.00 0.27 0.00 0.00 0.00 175.76 176.46 1d6t n ASN 27 N 2.69 0.00 0.01 0.00 6.94 -0.74 -4.93 115.26 119.23 1d6t n ASN 27 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.40 1d6t n ASN 27 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 1d6t n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1d6t n ARG 28 N -0.79 0.00 0.00 -3.83 5.12 -1.26 -4.88 116.66 111.02 1d6t n ARG 28 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1d6t n ARG 28 Cb 0.00 -0.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 1d6t n ARG 28 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d6t n GLN 29 N -3.04 0.60 -4.27 5.56 10.64 -1.26 -4.93 117.38 120.68 1d6t n GLN 29 Ca 0.00 -0.64 -0.28 0.00 -1.83 0.00 0.00 57.00 54.25 1d6t n GLN 29 Cb 0.33 -0.71 -0.09 0.00 -0.86 0.00 0.00 30.24 28.90 1d6t n GLN 29 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1d6t s PHE 30 N -0.26 2.66 -0.21 2.61 0.08 -1.26 -2.15 117.98 119.46 1d6t s PHE 30 Ca 0.00 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 56.81 1d6t s PHE 30 Cb 0.00 -1.33 0.10 0.00 -0.57 0.00 0.00 43.02 41.22 1d6t s PHE 30 CO 0.00 0.48 0.26 0.54 -0.10 0.00 0.00 175.22 176.41 1d6t s VAL 31 N -1.54 -0.40 -0.26 -0.44 0.11 -0.76 -1.80 120.40 115.31 1d6t s VAL 31 Ca 0.24 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.12 1d6t s VAL 31 Cb -0.09 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1d6t s VAL 31 CO 0.15 -0.17 0.11 0.68 -3.33 0.00 0.00 175.10 172.53 1d6t s VAL 32 N 2.39 4.63 -0.41 2.04 -7.23 0.89 0.20 120.40 122.91 1d6t s VAL 32 Ca 0.08 -0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.03 1d6t s VAL 32 Cb -0.15 -3.18 0.02 0.00 0.56 0.00 0.00 36.38 33.63 1d6t s VAL 32 CO -0.13 0.32 0.36 -0.31 -0.31 0.00 0.00 175.10 175.03 1d6t s TYR 33 N 1.60 3.21 0.32 2.82 1.51 0.96 0.02 117.35 127.78 1d6t s TYR 33 Ca 0.06 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1d6t s TYR 33 Cb -0.15 -2.71 -0.06 0.00 -0.11 0.00 0.00 41.96 38.93 1d6t s TYR 33 CO 0.06 -0.62 0.07 0.95 -1.11 0.00 0.00 175.55 174.90 1d6t s THR 34 N 1.89 0.99 -0.37 -0.71 -4.23 -1.13 -2.12 115.64 109.96 1d6t s THR 34 Ca 0.08 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 1d6t s THR 34 Cb -0.18 -2.72 0.16 0.00 1.34 0.00 0.00 72.50 71.11 1d6t s THR 34 CO 0.12 0.00 0.43 0.00 -0.54 0.00 0.00 174.62 174.63 1d6t n ASN 36 N 4.36 -2.45 -2.92 0.00 2.85 -1.26 -4.63 115.26 111.21 1d6t n ASN 36 Ca 0.10 -0.30 -0.11 0.00 -0.11 0.00 0.00 54.58 54.17 1d6t n ASN 36 Cb 0.48 -0.28 0.01 0.00 1.24 0.00 0.00 39.78 41.24 1d6t n ASN 36 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1d6t n ASN 37 N -3.75 -7.67 0.00 1.20 3.02 -1.26 -4.87 115.26 101.93 1d6t n ASN 37 Ca 0.04 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1d6t n ASN 37 Cb 0.17 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.42 1d6t n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1d6t n LYS 38 N -0.19 0.00 -3.12 3.52 5.02 -1.26 -5.10 118.16 117.02 1d6t n LYS 38 Ca 0.09 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1d6t n LYS 38 Cb 0.45 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1d6t n LYS 38 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1d6t n GLU 39 N 0.00 -0.86 0.00 1.97 0.28 -1.26 -4.99 120.64 115.77 1d6t n GLU 39 Ca 0.00 1.05 0.00 0.00 -0.16 0.00 0.00 57.16 58.05 1d6t n GLU 39 Cb 0.00 -0.92 0.00 0.00 1.43 0.00 0.00 31.44 31.95 1d6t n GLU 39 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1d6t n ILE 40 N 1.98 0.00 -0.34 3.84 2.08 -1.26 -4.92 119.36 120.74 1d6t n ILE 40 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1d6t n ILE 40 Cb 0.22 -0.04 0.00 0.00 -0.75 0.00 0.00 39.64 39.07 1d6t n ILE 40 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1d6t n ASP 41 N 0.00 1.13 -3.59 4.38 -0.08 -1.26 -4.75 116.55 112.38 1d6t n ASP 41 Ca 0.00 -1.47 -0.00 0.00 -1.51 0.00 0.00 54.79 51.81 1d6t n ASP 41 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1d6t s HIS 42 N -0.47 -1.21 -0.19 -0.67 -3.43 -1.26 -4.89 115.29 103.17 1d6t s HIS 42 Ca 0.00 2.08 -0.29 0.00 -0.80 0.00 0.00 55.06 56.05 1d6t s HIS 42 Cb 0.00 0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 31.83 1d6t s HIS 42 CO 0.00 -0.60 1.88 -0.59 -2.00 0.00 0.00 174.74 173.43 1d6t s PHE 43 N 2.80 1.64 -0.79 0.38 -0.71 -1.26 -4.05 117.98 115.99 1d6t s PHE 43 Ca -0.05 0.37 -0.25 0.00 -1.04 0.00 0.00 56.93 55.96 1d6t s PHE 43 Cb -0.11 -4.04 -0.01 0.00 -1.21 0.00 0.00 43.02 37.65 1d6t s PHE 43 CO -0.19 -3.75 1.76 1.03 -1.34 0.00 0.00 175.22 172.73 1d6t s ARG 44 N 5.26 2.81 -0.81 1.99 0.52 -1.26 -4.83 118.95 122.63 1d6t s ARG 44 Ca 0.84 -0.07 -0.26 0.00 -0.52 0.00 0.00 55.73 55.73 1d6t s ARG 44 Cb -0.30 -4.74 0.04 0.00 0.52 0.00 0.00 34.95 30.47 1d6t s ARG 44 CO 0.34 -2.82 1.32 -1.17 0.02 0.00 0.00 175.30 172.99 1d6t s LEU 45 N 8.44 3.28 -0.01 2.53 0.20 0.23 -2.30 118.68 131.06 1d6t s LEU 45 Ca 0.61 -0.73 0.01 0.00 0.69 0.00 0.00 54.13 54.71 1d6t s LEU 45 Cb -0.08 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 1d6t s LEU 45 CO 0.08 -1.74 0.01 -0.83 -0.29 0.00 0.00 176.35 173.58 1d6t s GLY 46 N 4.07 1.90 -0.04 7.98 0.00 -0.25 -4.09 107.32 116.89 1d6t s GLY 46 Ca 0.38 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1d6t s GLY 46 CO 0.08 -0.79 -0.09 -0.42 0.00 0.00 0.00 173.10 171.89 1d6t s ILE 47 N -1.09 0.80 0.12 0.90 1.01 -1.26 -2.26 121.20 119.42 1d6t s ILE 47 Ca 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 1d6t s ILE 47 Cb -0.12 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1d6t s ILE 47 CO 0.10 0.26 0.01 -0.44 0.00 0.00 0.00 174.94 174.88 1d6t s SER 48 N 0.42 0.65 0.28 3.58 0.01 -0.92 -5.00 113.70 112.72 1d6t s SER 48 Ca -0.07 -1.13 -0.07 0.00 1.31 0.00 0.00 55.95 55.99 1d6t s SER 48 Cb -0.11 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 1d6t s SER 48 CO 0.01 -0.64 0.42 -0.69 0.41 0.00 0.00 173.24 172.76 1d6t s VAL 49 N -3.88 0.00 0.29 3.43 1.01 -1.26 -2.55 120.40 117.44 1d6t s VAL 49 Ca 0.19 -1.57 0.10 0.00 0.00 0.00 0.00 61.98 60.69 1d6t s VAL 49 Cb 0.07 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1d6t s VAL 49 CO -0.01 0.00 -0.01 -0.55 0.00 0.00 0.00 175.10 174.54 1d6t s SER 50 N -3.13 4.36 0.00 3.32 0.15 -1.25 -4.83 113.70 112.32 1d6t s SER 50 Ca 0.28 -0.79 0.25 0.00 0.70 0.00 0.00 55.95 56.39 1d6t s SER 50 Cb 0.01 -0.69 0.51 0.00 -1.71 0.00 0.00 66.02 64.14 1d6t s SER 50 CO 0.14 -0.09 1.44 0.29 1.20 0.00 0.00 173.24 176.22 1d6t n LYS 51 N -0.91 2.13 0.00 5.44 5.02 -1.26 -3.76 118.16 124.83 1d6t n LYS 51 Ca -0.05 -1.66 0.11 0.00 -2.02 0.00 0.00 58.31 54.68 1d6t n LYS 51 Cb 0.60 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d6t n LYS 52 N 0.97 0.29 -0.07 1.97 4.01 -1.26 -4.55 118.16 119.52 1d6t n LYS 52 Ca 0.17 -0.07 -0.02 0.00 -0.51 0.00 0.00 58.31 57.88 1d6t n LYS 52 Cb 0.51 -1.53 -0.02 0.00 -0.51 0.00 0.00 35.03 33.49 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1d6t n LEU 53 N -1.87 -0.17 0.00 -0.35 7.94 -1.25 -4.83 117.00 116.48 1d6t n LEU 53 Ca 0.01 0.91 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1d6t n LEU 53 Cb 0.44 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1d6t n LEU 53 CO 0.43 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.78 1d6t n GLY 54 N -1.04 1.20 3.69 -3.96 0.00 -1.26 -4.65 105.19 99.17 1d6t n GLY 54 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 1d6t n GLY 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d6t s ASN 55 N 0.00 -0.09 0.41 1.61 2.47 -1.26 -4.99 114.94 113.08 1d6t s ASN 55 Ca 0.00 -0.25 0.13 0.00 0.42 0.00 0.00 52.86 53.16 1d6t s ASN 55 Cb 0.00 0.28 0.85 0.00 -1.45 0.00 0.00 41.25 40.93 1d6t s ASN 55 CO 0.00 -0.53 1.91 0.00 -3.72 0.00 0.00 177.10 174.77 1d6t h ALA 56 N 2.00 1.54 0.00 1.71 0.00 -1.98 -0.72 119.26 121.81 1d6t h ALA 56 Ca -0.28 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1d6t h ALA 56 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1d6t h ALA 56 CO 0.28 0.34 -0.22 -0.24 0.00 0.00 0.00 179.25 179.41 1d6t h VAL 57 N 0.03 0.79 0.23 0.00 3.04 -1.99 -1.34 116.25 117.02 1d6t h VAL 57 Ca 0.00 -0.90 -0.30 0.00 -1.01 0.00 0.00 66.70 64.50 1d6t h VAL 57 Cb 0.47 1.54 0.03 0.00 -2.01 0.00 0.00 31.29 31.33 1d6t h VAL 57 CO 0.03 0.22 -1.33 -0.07 -1.01 0.00 0.00 177.57 175.41 1d6t h LEU 58 N 0.00 0.76 0.00 3.16 3.38 -1.51 -2.67 115.31 118.43 1d6t h LEU 58 Ca -0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1d6t h LEU 58 Cb 0.52 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1d6t h LEU 58 CO 0.03 1.64 0.00 0.54 0.09 0.00 0.00 178.44 180.74 1d6t n ARG 59 N -3.82 0.12 -0.06 1.13 1.74 -0.72 -2.13 116.66 112.91 1d6t n ARG 59 Ca -0.16 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 1d6t n ARG 59 Cb 1.04 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.84 1d6t n ARG 59 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1d6t n ASN 60 N -1.39 0.98 -0.12 0.55 3.02 -0.54 -3.37 115.26 114.38 1d6t n ASN 60 Ca 0.06 0.13 -0.13 0.00 -0.03 0.00 0.00 54.58 54.61 1d6t n ASN 60 Cb 0.16 0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 1d6t n ASN 60 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1d6t h LYS 61 N 0.01 0.85 0.00 3.52 3.64 -1.07 1.81 116.57 125.34 1d6t h LYS 61 Ca -0.46 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 58.43 1d6t h LYS 61 Cb 2.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1d6t h LYS 61 CO 0.03 1.06 -0.38 0.82 -2.27 0.00 0.00 179.45 178.71 1d6t h ILE 62 N 0.65 1.10 0.00 2.00 2.04 -1.61 -2.23 117.51 119.46 1d6t h ILE 62 Ca 0.07 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1d6t h ILE 62 Cb 0.87 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1d6t h ILE 62 CO 0.08 0.37 -0.20 0.50 0.00 0.00 0.00 178.15 178.90 1d6t h LYS 63 N 0.00 0.00 -0.91 2.37 3.64 -1.49 -2.83 116.57 117.36 1d6t h LYS 63 Ca -0.00 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.68 1d6t h LYS 63 Cb 0.75 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.40 1d6t h LYS 63 CO 0.05 0.00 0.20 2.89 -2.27 0.00 0.00 179.45 180.32 1d6t n ARG 64 N -3.83 -0.07 -0.07 1.90 1.85 0.61 0.22 116.66 117.28 1d6t n ARG 64 Ca -0.03 1.33 -0.13 0.00 -1.00 0.00 0.00 57.85 58.02 1d6t n ARG 64 Cb 0.10 -2.21 -0.06 0.00 -1.05 0.00 0.00 32.46 29.24 1d6t n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1d6t h ALA 65 N 1.83 0.28 -0.14 2.89 0.00 -1.56 -2.39 119.26 120.17 1d6t h ALA 65 Ca 0.64 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1d6t h ALA 65 Cb 1.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1d6t h ALA 65 CO -0.80 0.18 0.13 0.82 0.00 0.00 0.00 179.25 179.58 1d6t h ILE 66 N 0.13 0.63 -0.01 0.00 1.08 0.30 0.87 117.51 120.51 1d6t h ILE 66 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1d6t h ILE 66 Cb 0.69 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1d6t h ILE 66 CO 0.04 0.00 -0.05 -1.14 -0.69 0.00 0.00 178.15 176.31 1d6t n ARG 67 N -4.04 1.38 -0.11 2.37 0.63 0.20 -2.97 116.66 114.12 1d6t n ARG 67 Ca 0.00 -0.73 -0.13 0.00 -0.92 0.00 0.00 57.85 56.08 1d6t n ARG 67 Cb 0.24 -1.48 -0.12 0.00 0.45 0.00 0.00 32.46 31.55 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 -0.18 0.77 0.05 -0.14 1.02 0.29 -4.18 120.64 118.27 1d6t n GLU 68 Ca 0.18 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.37 1d6t n GLU 68 Cb 0.32 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 1d6t n GLU 68 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1d6t h ASN 69 N 0.00 -0.14 -0.16 1.62 -0.73 -1.14 -3.23 115.58 111.80 1d6t h ASN 69 Ca -0.51 0.00 0.05 0.00 1.87 0.00 0.00 56.30 57.71 1d6t h ASN 69 Cb 1.94 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 40.56 1d6t h ASN 69 CO -0.04 0.09 0.74 -0.26 -0.37 0.00 0.00 177.43 177.60 1d6t h PHE 70 N -0.55 0.00 -0.12 0.67 0.04 -1.79 0.51 116.94 115.70 1d6t h PHE 70 Ca -0.02 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1d6t h PHE 70 Cb 0.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1d6t h PHE 70 CO 0.03 0.00 0.05 -0.22 -0.60 0.00 0.00 178.31 177.56 1d6t h LYS 71 N 0.00 0.11 0.23 1.51 1.63 -1.72 1.88 116.57 120.20 1d6t h LYS 71 Ca 0.07 -0.01 -0.32 0.00 -0.85 0.00 0.00 60.65 59.55 1d6t h LYS 71 Cb 1.55 -0.02 0.03 0.00 -0.60 0.00 0.00 32.23 33.19 1d6t h LYS 71 CO -0.00 0.07 -1.42 -0.39 -3.45 0.00 0.00 179.45 174.26 1d6t h VAL 72 N 0.11 1.26 0.00 2.00 -1.51 -0.15 -3.14 116.25 114.82 1d6t h VAL 72 Ca 0.05 -2.64 0.00 0.00 -1.23 0.00 0.00 66.70 62.88 1d6t h VAL 72 Cb 0.03 3.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.21 1d6t h VAL 72 CO -0.05 0.80 0.00 1.41 -1.23 0.00 0.00 177.57 178.50 1d6t n HIS 73 N -3.77 0.00 -0.05 5.19 8.25 -0.52 -3.35 115.22 120.97 1d6t n HIS 73 Ca -0.18 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.52 1d6t n HIS 73 Cb 1.06 -0.13 0.62 0.00 1.12 0.00 0.00 29.99 32.66 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 0.00 -0.41 3.64 0.30 1.89 116.57 121.99 1d6t h LYS 74 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1d6t h LYS 74 Cb 0.09 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1d6t h LYS 74 CO 0.00 0.00 -2.10 0.43 -2.27 0.00 0.00 179.45 175.51 1d6t n SER 75 N -3.50 0.04 0.08 4.20 7.64 -1.21 -4.23 113.62 116.64 1d6t n SER 75 Ca 0.14 0.02 -0.06 0.00 1.01 0.00 0.00 58.87 59.98 1d6t n SER 75 Cb 1.02 1.56 0.10 0.00 -1.01 0.00 0.00 64.21 65.88 1d6t n SER 75 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1d6t h HIS 76 N 0.00 0.35 -4.18 1.43 3.86 0.25 -3.45 115.15 113.41 1d6t h HIS 76 Ca -0.20 -0.14 -0.50 0.00 -1.16 0.00 0.00 60.37 58.37 1d6t h HIS 76 Cb 1.47 -0.06 0.07 0.00 1.06 0.00 0.00 27.41 29.95 1d6t h HIS 76 CO 0.00 0.83 0.38 0.42 0.86 0.00 0.00 177.93 180.42 1d6t s ILE 77 N -3.71 3.57 0.07 2.45 1.09 0.16 -0.00 121.20 124.82 1d6t s ILE 77 Ca -0.04 0.77 -0.00 0.00 -1.10 0.00 0.00 60.65 60.28 1d6t s ILE 77 Cb 0.12 -3.29 -0.04 0.00 -1.06 0.00 0.00 42.46 38.19 1d6t s ILE 77 CO 0.81 -0.41 -0.03 -1.48 -0.10 0.00 0.00 174.94 173.73 1d6t s LEU 78 N -4.48 2.46 0.45 2.97 -0.00 -1.24 -4.83 118.68 114.01 1d6t s LEU 78 Ca 0.66 -1.01 -0.22 0.00 -0.00 0.00 0.00 54.13 53.55 1d6t s LEU 78 Cb -0.18 0.13 -0.11 0.00 -0.00 0.00 0.00 46.19 46.03 1d6t s LEU 78 CO 0.36 -0.57 0.69 0.00 -0.00 0.00 0.00 176.35 176.83 1d6t n ALA 79 N 0.06 -0.92 0.00 1.48 0.00 -1.26 -4.23 120.51 115.64 1d6t n ALA 79 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1d6t n ALA 79 Cb 0.61 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1d6t n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1d6t n LYS 80 N 0.31 0.00 -3.05 0.00 5.02 -1.26 -4.30 118.16 114.88 1d6t n LYS 80 Ca 0.11 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 1d6t n LYS 80 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1d6t n LYS 80 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1d6t s ASP 81 N -4.00 -0.75 -0.13 4.39 -1.08 -1.26 -4.42 116.67 109.43 1d6t s ASP 81 Ca 0.00 -0.10 -0.01 0.00 -0.52 0.00 0.00 52.55 51.92 1d6t s ASP 81 Cb 0.00 1.25 -0.02 0.00 -1.46 0.00 0.00 42.92 42.69 1d6t s ASP 81 CO 0.00 -0.11 -0.11 -0.51 0.52 0.00 0.00 175.17 174.95 1d6t s ILE 82 N 2.50 3.24 -0.24 4.11 -1.16 -0.97 -3.56 121.20 125.11 1d6t s ILE 82 Ca 0.19 -0.60 -0.03 0.00 -0.51 0.00 0.00 60.65 59.70 1d6t s ILE 82 Cb -0.02 -2.36 0.13 0.00 0.61 0.00 0.00 42.46 40.81 1d6t s ILE 82 CO -0.19 0.53 0.38 -0.63 -2.81 0.00 0.00 174.94 172.22 1d6t s ILE 83 N 0.24 -0.61 -0.25 2.00 1.01 -0.90 -1.09 121.20 121.60 1d6t s ILE 83 Ca -0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.43 1d6t s ILE 83 Cb -0.15 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 1d6t s ILE 83 CO 0.05 -0.10 0.16 0.68 0.00 0.00 0.00 174.94 175.73 1d6t s VAL 84 N 2.56 5.33 0.17 2.92 -7.23 -0.96 0.32 120.40 123.51 1d6t s VAL 84 Ca 0.12 0.17 0.09 0.00 -1.81 0.00 0.00 61.98 60.54 1d6t s VAL 84 Cb -0.15 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 1d6t s VAL 84 CO -0.16 0.33 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.25 1d6t s ILE 85 N 1.16 3.24 -0.73 -0.62 -1.09 0.54 -2.17 121.20 121.53 1d6t s ILE 85 Ca 0.07 -1.60 -0.21 0.00 -2.23 0.00 0.00 60.65 56.69 1d6t s ILE 85 Cb -0.14 -2.59 0.10 0.00 -1.58 0.00 0.00 42.46 38.24 1d6t s ILE 85 CO 0.05 -0.08 0.97 0.00 -1.23 0.00 0.00 174.94 174.65 1d6t s ALA 86 N -1.64 3.25 0.00 9.38 0.00 -1.06 -1.84 121.76 129.86 1d6t s ALA 86 Ca 0.24 -2.20 -0.01 0.00 0.00 0.00 0.00 51.96 49.99 1d6t s ALA 86 Cb -0.09 -3.86 -0.00 0.00 0.00 0.00 0.00 23.12 19.17 1d6t s ALA 86 CO 0.15 -2.76 0.63 -2.13 0.00 0.00 0.00 175.76 171.65 1d6t n ARG 87 N 7.09 -0.01 0.00 0.00 3.00 -0.91 -3.96 116.66 121.87 1d6t n ARG 87 Ca 0.04 0.63 0.00 0.00 -0.00 0.00 0.00 57.85 58.52 1d6t n ARG 87 Cb 0.46 -0.94 0.00 0.00 0.00 0.00 0.00 32.46 31.98 1d6t n ARG 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1d6t n GLN 88 N -2.72 0.00 0.00 -0.14 6.02 -1.26 -4.83 117.38 114.45 1d6t n GLN 88 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1d6t n GLN 88 Cb 0.01 0.00 0.22 0.00 1.02 0.00 0.00 30.24 31.49 1d6t n GLN 88 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1d6t n PRO 89 N 0.00 0.75 -0.03 -1.09 -0.04 -1.26 -2.65 135.00 130.67 1d6t n PRO 89 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1d6t n PRO 89 Cb 0.00 -1.16 0.51 0.00 -0.04 0.00 0.00 33.50 32.82 1d6t n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d6t n ALA 90 N -0.66 2.58 0.11 0.55 0.00 -1.26 -3.46 120.51 118.37 1d6t n ALA 90 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 1d6t n ALA 90 Cb 0.03 -1.22 0.13 0.00 0.00 0.00 0.00 19.45 18.39 1d6t n ALA 90 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1d6t h LYS 91 N 1.23 0.11 0.00 0.00 -0.00 -1.77 -2.61 116.57 113.52 1d6t h LYS 91 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 60.57 1d6t h LYS 91 Cb 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.51 1d6t h LYS 91 CO 0.00 0.71 -0.29 -0.44 -0.00 0.00 0.00 179.45 179.44 1d6t h ASP 92 N 0.08 0.00 -2.83 7.07 3.32 -1.84 -3.47 116.42 118.75 1d6t h ASP 92 Ca -0.01 -0.07 -0.37 0.00 0.02 0.00 0.00 57.03 56.60 1d6t h ASP 92 Cb 1.15 0.00 0.21 0.00 0.22 0.00 0.00 39.33 40.91 1d6t h ASP 92 CO 0.09 0.04 -0.19 0.80 -1.72 0.00 0.00 179.24 178.25 1d6t n MET 93 N -2.38 -3.95 -4.51 3.56 1.56 -0.99 -5.05 117.12 105.37 1d6t n MET 93 Ca 0.04 -1.16 -0.24 0.00 -0.27 0.00 0.00 57.70 56.07 1d6t n MET 93 Cb 0.46 -1.91 -0.11 0.00 2.15 0.00 0.00 33.22 33.81 1d6t n MET 93 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1d6t s THR 94 N -2.17 1.83 -1.16 1.12 -4.23 -1.26 -5.00 115.64 104.76 1d6t s THR 94 Ca 0.63 -2.10 0.07 0.00 -1.18 0.00 0.00 61.69 59.11 1d6t s THR 94 Cb -0.15 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.09 1d6t s THR 94 CO 0.56 -0.16 1.16 0.41 -0.54 0.00 0.00 174.62 176.06 1d6t n THR 95 N -0.75 1.29 -0.12 3.99 -1.04 -1.26 -1.97 114.28 114.42 1d6t n THR 95 Ca -0.05 0.32 -0.24 0.00 -2.04 0.00 0.00 64.05 62.05 1d6t n THR 95 Cb 0.65 -1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 67.84 1d6t n THR 95 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1d6t n LEU 96 N -1.42 2.45 -0.31 -4.42 -0.00 -1.26 -4.38 117.00 107.66 1d6t n LEU 96 Ca 0.02 0.13 0.13 0.00 -0.00 0.00 0.00 56.01 56.29 1d6t n LEU 96 Cb 0.07 -0.89 0.31 0.00 -0.00 0.00 0.00 43.42 42.90 1d6t n LEU 96 CO 0.06 0.74 1.08 1.56 -0.00 0.00 0.00 177.39 180.83 1d6t h GLN 97 N -0.48 0.48 -0.98 1.96 1.08 -1.78 -1.21 115.11 114.17 1d6t h GLN 97 Ca -0.60 -0.03 0.09 0.00 -1.45 0.00 0.00 58.65 56.65 1d6t h GLN 97 Cb 1.75 -0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 28.96 1d6t h GLN 97 CO -0.23 0.32 -0.58 -0.89 -0.95 0.00 0.00 178.83 176.50 1d6t n ILE 98 N -4.97 -0.67 -0.25 2.54 -0.00 -1.08 0.20 119.36 115.13 1d6t n ILE 98 Ca 0.22 2.40 0.13 0.00 -0.00 0.00 0.00 62.75 65.50 1d6t n ILE 98 Cb 0.62 -2.97 0.40 0.00 -0.00 0.00 0.00 39.64 37.70 1d6t n ILE 98 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1d6t h GLN 99 N 0.00 0.62 -0.17 0.38 4.20 -1.46 0.44 115.11 119.12 1d6t h GLN 99 Ca 0.16 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 1d6t h GLN 99 Cb 0.40 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1d6t h GLN 99 CO -0.92 0.41 -0.37 -0.91 -0.67 0.00 0.00 178.83 176.37 1d6t h ASN 100 N 0.64 0.37 0.13 1.46 2.35 0.25 -2.38 115.58 118.40 1d6t h ASN 100 Ca 0.43 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1d6t h ASN 100 Cb 0.74 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1d6t h ASN 100 CO -0.19 0.71 -0.06 0.28 -1.65 0.00 0.00 177.43 176.53 1d6t h SER 101 N 0.30 -0.15 -0.01 5.81 0.02 0.53 -2.92 113.55 117.14 1d6t h SER 101 Ca 0.03 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1d6t h SER 101 Cb 0.79 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 1d6t h SER 101 CO 0.06 0.39 0.29 -0.07 -1.14 0.00 0.00 176.83 176.36 1d6t h LEU 102 N -0.76 0.00 0.00 5.07 4.07 -0.48 0.99 115.31 124.21 1d6t h LEU 102 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1d6t h LEU 102 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1d6t h LEU 102 CO 0.03 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.77 1d6t n GLU 103 N -2.94 0.43 0.00 1.13 -0.58 -0.90 -2.59 120.64 115.19 1d6t n GLU 103 Ca -0.02 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1d6t n GLU 103 Cb 0.35 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 -1.13 0.00 -0.34 -0.32 -0.00 0.33 -4.51 115.22 109.25 1d6t n HIS 104 Ca 0.12 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.30 1d6t n HIS 104 Cb 0.10 0.20 0.06 0.00 -0.12 0.00 0.00 29.99 30.23 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 -1.75 -0.45 -0.08 3.57 3.14 -0.31 0.13 118.33 122.58 1d6t n VAL 105 Ca 0.00 2.09 -0.13 0.00 -2.96 0.00 0.00 64.34 63.34 1d6t n VAL 105 Cb 0.00 -2.80 -0.05 0.00 -1.06 0.00 0.00 33.84 29.93 1d6t n VAL 105 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 1d6t h LEU 106 N 0.00 0.58 -1.74 6.55 5.85 -1.69 -1.38 115.31 123.48 1d6t h LEU 106 Ca 0.35 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1d6t h LEU 106 Cb 0.57 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1d6t h LEU 106 CO -0.90 0.91 0.48 0.50 -0.34 0.00 0.00 178.44 179.09 1d6t h LYS 107 N 0.25 0.00 0.06 1.25 3.64 0.13 0.35 116.57 122.26 1d6t h LYS 107 Ca 0.04 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.11 1d6t h LYS 107 Cb 0.73 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1d6t h LYS 107 CO 0.05 0.00 -1.74 -0.89 -2.27 0.00 0.00 179.45 174.60 1d6t n ILE 108 N -3.12 1.66 -0.33 2.00 5.41 0.18 -4.13 119.36 121.03 1d6t n ILE 108 Ca 0.02 -0.39 0.09 0.00 1.00 0.00 0.00 62.75 63.48 1d6t n ILE 108 Cb 0.58 -1.86 0.26 0.00 -0.71 0.00 0.00 39.64 37.92 1d6t n ILE 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1d6t h ALA 109 N -0.21 1.46 -0.27 -1.39 0.00 0.69 -3.46 119.26 116.09 1d6t h ALA 109 Ca -0.41 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1d6t h ALA 109 Cb 1.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1d6t h ALA 109 CO -0.06 -0.03 0.00 1.17 0.00 0.00 0.00 179.25 180.32 1d6t n LYS 110 N -4.80 0.00 -0.49 0.00 4.81 0.15 -4.93 118.16 112.90 1d6t n LYS 110 Ca 0.20 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.66 1d6t n LYS 110 Cb 0.48 -3.05 0.20 0.00 0.02 0.00 0.00 35.03 32.69 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 -3.42 1.51 -3.83 3.15 0.24 -1.25 -4.77 118.33 109.95 1d6t n VAL 111 Ca 0.00 -0.75 -0.19 0.00 -2.04 0.00 0.00 64.34 61.36 1d6t n VAL 111 Cb 0.47 -0.42 -0.17 0.00 -1.47 0.00 0.00 33.84 32.26 1d6t n VAL 111 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1d6t s PHE 112 N -1.90 0.33 -0.04 6.34 -0.71 -1.26 -3.72 117.98 117.03 1d6t s PHE 112 Ca 0.29 0.03 -0.24 0.00 -1.04 0.00 0.00 56.93 55.96 1d6t s PHE 112 Cb 0.22 -0.51 -0.21 0.00 -1.21 0.00 0.00 43.02 41.30 1d6t s PHE 112 CO 0.08 -0.19 1.12 -2.95 -1.34 0.00 0.00 175.22 171.94 1d6t h ASN 113 N 7.78 0.18 0.00 1.98 7.08 -0.73 -3.49 115.58 128.39 1d6t h ASN 113 Ca -0.30 -0.68 0.00 0.00 -3.08 0.00 0.00 56.30 52.24 1d6t h ASN 113 Cb 1.13 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.31 1d6t h ASN 113 CO 0.35 0.83 0.00 1.17 -2.08 0.00 0.00 177.43 177.70 1d6t n LYS 114 N -4.60 0.00 -3.46 4.14 4.81 -1.26 -5.01 118.16 112.78 1d6t n LYS 114 Ca -0.09 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.13 1d6t n LYS 114 Cb 0.42 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.42 1d6t n LYS 114 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1d6t n LYS 115 N 0.00 -0.89 -1.40 1.64 3.00 -1.26 -4.71 118.16 114.53 1d6t n LYS 115 Ca 0.00 0.07 -0.38 0.00 -0.00 0.00 0.00 58.31 58.00 1d6t n LYS 115 Cb 0.00 -2.51 0.04 0.00 0.00 0.00 0.00 35.03 32.55 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1d6t n ILE 116 N -2.89 1.87 1.11 3.15 2.08 -1.26 -4.82 119.36 118.60 1d6t n ILE 116 Ca -0.06 -0.49 0.12 0.00 0.56 0.00 0.00 62.75 62.89 1d6t n ILE 116 Cb 0.34 -0.59 0.20 0.00 -0.75 0.00 0.00 39.64 38.84 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28