#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6t s LEU 2 N 0.00 2.00 0.00 4.03 1.98 -1.26 -5.05 118.68 120.38 1d6t s LEU 2 Ca 0.00 -0.43 0.00 0.00 -2.89 0.00 0.00 54.13 50.81 1d6t s LEU 2 Cb 0.00 -1.17 0.00 0.00 0.66 0.00 0.00 46.19 45.68 1d6t s LEU 2 CO 0.00 0.21 0.00 -0.11 -1.89 0.00 0.00 176.35 174.56 1d6t n LEU 3 N 2.99 0.00 0.00 -0.68 -0.00 -1.26 -4.96 117.00 113.09 1d6t n LEU 3 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1d6t n LEU 3 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1d6t n LEU 3 CO 0.25 -0.17 0.00 1.21 -0.00 0.00 0.00 177.39 178.68 1d6t n GLU 4 N 0.00 0.00 0.00 1.96 2.13 -1.26 -3.17 120.64 120.30 1d6t n GLU 4 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1d6t n GLU 4 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 8.12 0.00 -0.09 5.31 2.85 -1.26 -1.26 118.16 131.83 1d6t n LYS 5 Ca 0.00 0.35 -0.11 0.00 -1.05 0.00 0.00 58.31 57.51 1d6t n LYS 5 Cb 0.00 -1.51 -0.04 0.00 -0.65 0.00 0.00 35.03 32.84 1d6t n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d6t h ALA 6 N 1.95 0.37 -0.73 0.58 0.00 -1.94 -2.93 119.26 116.56 1d6t h ALA 6 Ca 0.00 -0.20 0.28 0.00 0.00 0.00 0.00 54.91 54.98 1d6t h ALA 6 Cb 0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.57 1d6t h ALA 6 CO 0.00 0.08 0.29 0.66 0.00 0.00 0.00 179.25 180.28 1d6t n TYR 7 N -4.63 0.74 -2.76 0.00 4.01 -0.39 -4.21 117.16 109.92 1d6t n TYR 7 Ca -0.03 0.87 -0.33 0.00 -0.16 0.00 0.00 57.90 58.25 1d6t n TYR 7 Cb 0.22 -1.22 -0.06 0.00 -0.31 0.00 0.00 39.34 37.97 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 -5.27 4.16 -0.43 -0.72 3.00 -1.11 0.22 118.95 118.80 1d6t s ARG 8 Ca -0.07 1.05 -0.27 0.00 0.00 0.00 0.00 55.73 56.44 1d6t s ARG 8 Cb 0.24 -2.19 -0.06 0.00 0.00 0.00 0.00 34.95 32.94 1d6t s ARG 8 CO 0.57 -0.06 2.31 0.42 0.00 0.00 0.00 175.30 178.54 1d6t s ILE 9 N -2.25 3.04 0.31 1.52 -1.09 -1.26 -4.79 121.20 116.69 1d6t s ILE 9 Ca 0.61 0.03 0.06 0.00 -2.23 0.00 0.00 60.65 59.12 1d6t s ILE 9 Cb -0.09 -3.10 0.39 0.00 -1.58 0.00 0.00 42.46 38.08 1d6t s ILE 9 CO 0.17 -0.09 1.52 1.17 -1.23 0.00 0.00 174.94 176.48 1d6t n LYS 10 N 8.95 -0.07 -3.45 2.79 3.00 -1.26 -4.62 118.16 123.50 1d6t n LYS 10 Ca 0.34 1.42 -0.11 0.00 -0.00 0.00 0.00 58.31 59.95 1d6t n LYS 10 Cb 0.52 -2.33 -0.02 0.00 0.00 0.00 0.00 35.03 33.20 1d6t n LYS 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1d6t s LYS 11 N -5.84 1.14 0.33 1.64 2.47 -1.26 -5.02 119.74 113.20 1d6t s LYS 11 Ca -0.12 -0.38 0.12 0.00 -1.56 0.00 0.00 55.97 54.04 1d6t s LYS 11 Cb 0.30 0.53 1.01 0.00 -1.46 0.00 0.00 37.83 38.20 1d6t s LYS 11 CO 0.75 -0.49 1.68 -0.97 0.16 0.00 0.00 175.35 176.48 1d6t h ASN 12 N 2.06 0.50 -0.40 1.43 -0.73 -2.00 -0.70 115.58 115.74 1d6t h ASN 12 Ca -0.30 0.18 0.04 0.00 1.87 0.00 0.00 56.30 58.08 1d6t h ASN 12 Cb 1.28 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.95 1d6t h ASN 12 CO 0.36 -0.08 -0.25 0.00 -0.37 0.00 0.00 177.43 177.09 1d6t h ALA 13 N 1.82 -0.26 -1.25 1.57 0.00 -1.96 1.90 119.26 121.08 1d6t h ALA 13 Ca 0.70 0.05 0.45 0.00 0.00 0.00 0.00 54.91 56.10 1d6t h ALA 13 Cb 1.52 1.13 -0.15 0.00 0.00 0.00 0.00 17.79 20.29 1d6t h ALA 13 CO -0.58 -0.43 0.77 -0.44 0.00 0.00 0.00 179.25 178.57 1d6t h ASP 14 N -0.02 0.25 0.14 0.00 3.32 -1.52 2.00 116.42 120.60 1d6t h ASP 14 Ca 0.06 0.19 -0.26 0.00 0.02 0.00 0.00 57.03 57.04 1d6t h ASP 14 Cb 0.18 0.19 0.03 0.00 0.22 0.00 0.00 39.33 39.95 1d6t h ASP 14 CO -0.38 -0.31 -1.12 0.15 -1.72 0.00 0.00 179.24 175.86 1d6t h PHE 15 N 0.02 0.85 -0.33 4.55 3.04 0.22 -3.29 116.94 122.00 1d6t h PHE 15 Ca 0.86 -0.57 -0.06 0.00 3.98 0.00 0.00 57.97 62.18 1d6t h PHE 15 Cb 2.60 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 41.04 1d6t h PHE 15 CO -0.01 1.42 -0.03 -0.56 -2.02 0.00 0.00 178.31 177.11 1d6t h GLN 16 N 0.05 0.61 -0.38 1.11 3.07 1.35 -2.27 115.11 118.64 1d6t h GLN 16 Ca -0.18 -0.21 0.11 0.00 0.09 0.00 0.00 58.65 58.46 1d6t h GLN 16 Cb 1.84 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 29.34 1d6t h GLN 16 CO 0.21 0.75 0.54 0.00 0.09 0.00 0.00 178.83 180.43 1d6t h ARG 17 N 0.40 0.00 0.00 0.06 -0.00 0.23 0.52 114.38 115.60 1d6t h ARG 17 Ca 0.09 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.45 1d6t h ARG 17 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.45 1d6t h ARG 17 CO 0.02 0.00 -0.63 0.82 0.00 0.00 0.00 179.97 180.18 1d6t h ILE 18 N 0.00 1.34 0.00 2.04 2.04 -1.50 -3.17 117.51 118.26 1d6t h ILE 18 Ca 0.18 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.79 1d6t h ILE 18 Cb 1.26 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 1d6t h ILE 18 CO -0.00 0.45 0.00 -1.22 0.00 0.00 0.00 178.15 177.38 1d6t n TYR 19 N -4.52 0.51 0.00 1.37 4.01 0.29 0.11 117.16 118.92 1d6t n TYR 19 Ca -0.21 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1d6t n TYR 19 Cb 0.58 -0.88 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 1d6t n TYR 19 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1d6t n LYS 20 N -2.00 0.00 -0.03 -0.72 3.00 0.16 -4.73 118.16 113.84 1d6t n LYS 20 Ca 0.01 0.08 0.01 0.00 -0.00 0.00 0.00 58.31 58.41 1d6t n LYS 20 Cb 0.11 -0.68 0.01 0.00 0.00 0.00 0.00 35.03 34.47 1d6t n LYS 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1d6t n LYS 21 N -0.75 1.72 -0.75 1.64 4.81 -1.22 -5.08 118.16 118.52 1d6t n LYS 21 Ca 0.00 -1.24 -0.33 0.00 -0.87 0.00 0.00 58.31 55.86 1d6t n LYS 21 Cb 0.00 -0.86 0.14 0.00 0.02 0.00 0.00 35.03 34.33 1d6t n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d6t n GLY 22 N -0.39 -2.54 2.99 3.14 0.00 0.30 -4.98 105.19 103.70 1d6t n GLY 22 Ca 0.01 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 3.00 0.32 1.61 2.46 0.78 -4.93 115.29 116.29 1d6t s HIS 23 Ca 0.53 -2.27 0.07 0.00 0.47 0.00 0.00 55.06 53.87 1d6t s HIS 23 Cb -0.12 -2.04 -0.03 0.00 -0.13 0.00 0.00 32.58 30.26 1d6t s HIS 23 CO 0.67 -0.86 0.30 -1.54 -2.47 0.00 0.00 174.74 170.84 1d6t s SER 24 N 1.18 5.41 -0.03 9.88 1.04 -1.26 -1.25 113.70 128.68 1d6t s SER 24 Ca -0.02 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1d6t s SER 24 Cb -0.19 -1.07 0.03 0.00 0.10 0.00 0.00 66.02 64.89 1d6t s SER 24 CO -0.08 -0.32 0.01 0.68 0.98 0.00 0.00 173.24 174.51 1d6t s VAL 25 N -2.27 0.15 -0.12 5.02 -7.23 -0.65 -4.92 120.40 110.39 1d6t s VAL 25 Ca 0.40 0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.70 1d6t s VAL 25 Cb -0.06 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.59 1d6t s VAL 25 CO 0.27 0.15 -0.14 0.00 -0.31 0.00 0.00 175.10 175.07 1d6t s ALA 26 N 1.17 2.61 0.00 1.32 0.00 -1.26 -0.15 121.76 125.45 1d6t s ALA 26 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1d6t s ALA 26 Cb -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1d6t s ALA 26 CO -0.02 0.30 0.00 0.27 0.00 0.00 0.00 175.76 176.31 1d6t n ASN 27 N 3.34 0.00 -0.03 0.00 0.23 0.68 -4.92 115.26 114.56 1d6t n ASN 27 Ca -0.18 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 53.82 1d6t n ASN 27 Cb 0.53 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.01 0.13 -0.21 -3.83 5.12 -1.26 -4.86 116.66 111.74 1d6t n ARG 28 Ca 0.00 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1d6t n ARG 28 Cb 0.00 -0.88 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 1d6t n ARG 28 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1d6t n GLN 29 N -3.01 0.00 -4.24 5.56 6.02 -1.26 -4.91 117.38 115.53 1d6t n GLN 29 Ca -0.11 -0.53 -0.19 0.00 -0.01 0.00 0.00 57.00 56.16 1d6t n GLN 29 Cb 0.59 -0.38 -0.16 0.00 1.02 0.00 0.00 30.24 31.32 1d6t n GLN 29 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1d6t s PHE 30 N 0.00 0.74 0.10 1.08 2.19 -1.26 0.12 117.98 120.94 1d6t s PHE 30 Ca 0.00 -0.18 0.09 0.00 0.33 0.00 0.00 56.93 57.17 1d6t s PHE 30 Cb 0.00 -0.58 -0.03 0.00 -1.31 0.00 0.00 43.02 41.10 1d6t s PHE 30 CO 0.00 -0.11 -0.23 0.14 1.83 0.00 0.00 175.22 176.85 1d6t s VAL 31 N 0.41 1.89 -0.24 3.12 -7.23 0.10 -0.23 120.40 118.22 1d6t s VAL 31 Ca -0.06 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1d6t s VAL 31 Cb -0.10 -1.68 0.07 0.00 0.56 0.00 0.00 36.38 35.24 1d6t s VAL 31 CO 0.00 0.04 0.05 0.68 -0.31 0.00 0.00 175.10 175.56 1d6t s VAL 32 N -1.07 0.76 -0.16 1.32 -7.23 0.79 0.13 120.40 114.94 1d6t s VAL 32 Ca 0.09 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 1d6t s VAL 32 Cb -0.10 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 1d6t s VAL 32 CO 0.04 -0.37 1.01 -0.31 -0.31 0.00 0.00 175.10 175.16 1d6t s TYR 33 N 1.72 3.43 0.03 2.82 1.51 0.35 -1.63 117.35 125.59 1d6t s TYR 33 Ca 0.02 1.52 -0.00 0.00 -1.01 0.00 0.00 57.07 57.60 1d6t s TYR 33 Cb -0.17 -3.21 -0.03 0.00 -0.11 0.00 0.00 41.96 38.44 1d6t s TYR 33 CO -0.14 -0.33 -0.03 0.95 -1.11 0.00 0.00 175.55 174.88 1d6t s THR 34 N 2.52 0.19 -0.27 -0.71 -4.23 -0.38 -0.80 115.64 111.96 1d6t s THR 34 Ca 0.46 -1.30 -0.38 0.00 -1.18 0.00 0.00 61.69 59.29 1d6t s THR 34 Cb -0.17 -0.80 0.16 0.00 1.34 0.00 0.00 72.50 73.02 1d6t s THR 34 CO 0.13 -0.70 1.36 0.00 -0.54 0.00 0.00 174.62 174.86 1d6t s ASN 36 N -2.05 5.61 0.00 0.00 4.22 -1.26 -3.65 114.94 117.81 1d6t s ASN 36 Ca 0.11 -0.85 0.00 0.00 -2.14 0.00 0.00 52.86 49.99 1d6t s ASN 36 Cb -0.01 -2.00 0.00 0.00 1.28 0.00 0.00 41.25 40.52 1d6t s ASN 36 CO -0.03 -0.31 0.00 0.59 -2.04 0.00 0.00 177.10 175.31 1d6t n ASN 37 N 4.97 0.00 -0.74 3.54 3.02 -1.26 -4.70 115.26 120.10 1d6t n ASN 37 Ca -0.13 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.46 1d6t n ASN 37 Cb 0.47 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.83 1d6t n ASN 37 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1d6t n LYS 38 N 0.00 1.76 -2.38 3.52 3.00 -1.26 -4.98 118.16 117.81 1d6t n LYS 38 Ca 0.00 -3.37 -0.03 0.00 -0.00 0.00 0.00 58.31 54.91 1d6t n LYS 38 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.35 1d6t n LYS 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1d6t n GLU 39 N -1.09 -1.27 -1.63 1.64 -0.58 -1.26 -5.04 120.64 111.41 1d6t n GLU 39 Ca 0.22 1.39 -0.28 0.00 -0.42 0.00 0.00 57.16 58.06 1d6t n GLU 39 Cb 0.73 -4.12 0.20 0.00 -0.57 0.00 0.00 31.44 27.68 1d6t n GLU 39 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1d6t n ILE 40 N -0.73 0.00 -0.30 -3.67 3.06 -1.26 -5.01 119.36 111.46 1d6t n ILE 40 Ca 0.05 -0.83 0.00 0.00 -2.50 0.00 0.00 62.75 59.47 1d6t n ILE 40 Cb 0.35 -1.47 0.00 0.00 0.54 0.00 0.00 39.64 39.07 1d6t n ILE 40 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1d6t n ASP 41 N -4.02 1.42 -3.83 9.51 8.00 -1.26 -4.76 116.55 121.60 1d6t n ASP 41 Ca 0.15 -1.72 -0.11 0.00 0.71 0.00 0.00 54.79 53.83 1d6t n ASP 41 Cb 0.55 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1d6t s HIS 42 N -0.72 0.01 -0.41 1.24 -3.43 -1.26 -4.61 115.29 106.10 1d6t s HIS 42 Ca 0.00 -0.14 -0.12 0.00 -0.80 0.00 0.00 55.06 54.00 1d6t s HIS 42 Cb 0.00 -0.01 0.05 0.00 -1.43 0.00 0.00 32.58 31.20 1d6t s HIS 42 CO 0.00 -0.40 0.28 -0.59 -2.00 0.00 0.00 174.74 172.03 1d6t s PHE 43 N -2.10 3.27 -0.70 0.38 -0.71 -1.26 -2.19 117.98 114.67 1d6t s PHE 43 Ca -0.09 -1.06 -0.26 0.00 -1.04 0.00 0.00 56.93 54.49 1d6t s PHE 43 Cb -0.03 -2.77 -0.05 0.00 -1.21 0.00 0.00 43.02 38.95 1d6t s PHE 43 CO -0.01 -0.73 2.06 1.03 -1.34 0.00 0.00 175.22 176.22 1d6t s ARG 44 N 1.56 2.37 -0.93 1.99 3.00 -1.26 -4.43 118.95 121.25 1d6t s ARG 44 Ca 0.03 0.47 -0.24 0.00 0.00 0.00 0.00 55.73 55.99 1d6t s ARG 44 Cb -0.21 -4.68 0.02 0.00 0.00 0.00 0.00 34.95 30.08 1d6t s ARG 44 CO 0.06 -3.25 1.54 -1.17 0.00 0.00 0.00 175.30 172.48 1d6t s LEU 45 N 10.71 3.37 0.00 2.53 0.20 0.60 -2.53 118.68 133.55 1d6t s LEU 45 Ca 0.77 -1.04 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1d6t s LEU 45 Cb -0.12 -2.56 0.09 0.00 -0.43 0.00 0.00 46.19 43.17 1d6t s LEU 45 CO 0.14 -1.85 0.67 0.61 -0.29 0.00 0.00 176.35 175.63 1d6t n GLY 46 N 6.57 1.26 3.04 7.98 0.00 -0.93 -4.65 105.19 118.46 1d6t n GLY 46 Ca 0.29 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 1d6t n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d6t s ILE 47 N -1.97 -0.03 -0.04 -0.61 1.09 -1.26 -4.15 121.20 114.21 1d6t s ILE 47 Ca 0.47 0.13 0.01 0.00 -1.10 0.00 0.00 60.65 60.16 1d6t s ILE 47 Cb -0.03 -0.34 0.02 0.00 -1.06 0.00 0.00 42.46 41.04 1d6t s ILE 47 CO 0.31 0.05 -0.05 -0.44 -0.10 0.00 0.00 174.94 174.71 1d6t s SER 48 N 1.05 0.99 0.30 3.58 0.01 -1.19 -5.01 113.70 113.43 1d6t s SER 48 Ca -0.08 -0.14 0.10 0.00 1.31 0.00 0.00 55.95 57.14 1d6t s SER 48 Cb -0.09 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.62 1d6t s SER 48 CO -0.07 -0.04 -0.02 -0.69 0.41 0.00 0.00 173.24 172.84 1d6t s VAL 49 N 0.83 2.97 0.50 3.43 1.01 -1.26 -1.93 120.40 125.96 1d6t s VAL 49 Ca -0.12 -1.99 0.03 0.00 0.00 0.00 0.00 61.98 59.90 1d6t s VAL 49 Cb -0.14 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1d6t s VAL 49 CO 0.01 -0.30 0.70 -0.55 0.00 0.00 0.00 175.10 174.96 1d6t s SER 50 N -3.68 5.44 0.00 3.32 0.15 -1.25 -4.87 113.70 112.81 1d6t s SER 50 Ca 0.33 -0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.93 1d6t s SER 50 Cb -0.04 -0.87 0.05 0.00 -1.71 0.00 0.00 66.02 63.45 1d6t s SER 50 CO 0.19 -0.99 0.69 2.29 1.20 0.00 0.00 173.24 176.62 1d6t n LYS 51 N -2.17 -0.05 -0.00 5.44 2.85 -1.26 -4.46 118.16 118.51 1d6t n LYS 51 Ca 0.07 -0.85 0.06 0.00 -1.05 0.00 0.00 58.31 56.54 1d6t n LYS 51 Cb 0.59 -1.11 -0.09 0.00 -0.65 0.00 0.00 35.03 33.77 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1d6t n LYS 52 N 0.32 0.68 -0.02 -1.58 4.76 -1.26 -4.69 118.16 116.38 1d6t n LYS 52 Ca 0.04 -0.10 -0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1d6t n LYS 52 Cb 0.15 -1.27 -0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1d6t n LEU 53 N -1.85 -0.05 0.00 -0.35 7.94 -1.26 -4.95 117.00 116.48 1d6t n LEU 53 Ca -0.02 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1d6t n LEU 53 Cb 0.31 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.80 1d6t n LEU 53 CO 0.26 -0.51 0.00 0.61 -1.11 0.00 0.00 177.39 176.64 1d6t n GLY 54 N -1.01 -0.87 0.00 -3.96 0.00 -1.26 -4.86 105.19 93.23 1d6t n GLY 54 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1d6t n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1d6t n ASN 55 N 0.00 0.00 -0.01 1.61 3.02 -1.26 -5.03 115.26 113.59 1d6t n ASN 55 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1d6t n ASN 55 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 1d6t n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d6t n ALA 56 N -3.00 2.63 0.21 5.41 0.00 -1.26 -4.05 120.51 120.44 1d6t n ALA 56 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.13 1d6t n ALA 56 Cb 0.00 -0.55 0.43 0.00 0.00 0.00 0.00 19.45 19.33 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 0.81 0.00 0.00 3.04 -1.99 0.43 116.25 118.54 1d6t h VAL 57 Ca 0.00 -1.25 -0.13 0.00 -1.01 0.00 0.00 66.70 64.30 1d6t h VAL 57 Cb 0.72 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.75 1d6t h VAL 57 CO 0.00 0.30 -1.00 0.17 -1.01 0.00 0.00 177.57 176.02 1d6t h LEU 58 N 0.00 0.00 0.00 3.16 8.10 -1.97 -3.18 115.31 121.42 1d6t h LEU 58 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1d6t h LEU 58 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.97 1d6t h LEU 58 CO 0.04 0.52 -0.43 -2.11 -4.11 0.00 0.00 178.44 172.34 1d6t n ARG 59 N -3.02 0.06 0.01 0.17 -4.01 -0.90 -2.81 116.66 106.16 1d6t n ARG 59 Ca -0.04 0.02 -0.10 0.00 -1.04 0.00 0.00 57.85 56.69 1d6t n ARG 59 Cb 0.78 -1.54 -0.14 0.00 -3.04 0.00 0.00 32.46 28.53 1d6t n ARG 59 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1d6t h ASN 60 N 0.00 0.08 0.77 2.89 2.35 -0.95 -2.57 115.58 118.15 1d6t h ASN 60 Ca 0.00 -0.13 -0.25 0.00 -0.55 0.00 0.00 56.30 55.37 1d6t h ASN 60 Cb 0.55 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1d6t h ASN 60 CO 0.00 1.11 -1.16 0.50 -1.65 0.00 0.00 177.43 176.24 1d6t h LYS 61 N 0.01 0.17 -0.20 0.81 3.64 -1.61 0.61 116.57 120.00 1d6t h LYS 61 Ca -0.22 -0.29 -0.19 0.00 -1.27 0.00 0.00 60.65 58.68 1d6t h LYS 61 Cb 1.95 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1d6t h LYS 61 CO 0.10 1.13 -0.63 0.82 -2.27 0.00 0.00 179.45 178.61 1d6t h ILE 62 N 0.05 1.29 0.00 2.00 2.04 -1.63 -0.06 117.51 121.20 1d6t h ILE 62 Ca -0.09 -1.84 -0.12 0.00 1.00 0.00 0.00 64.86 63.82 1d6t h ILE 62 Cb 1.90 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.83 1d6t h ILE 62 CO 0.17 0.58 -0.55 0.07 0.00 0.00 0.00 178.15 178.43 1d6t h LYS 63 N 0.52 0.00 0.02 2.37 2.10 -1.51 -2.74 116.57 117.32 1d6t h LYS 63 Ca -0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1d6t h LYS 63 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1d6t h LYS 63 CO 0.13 0.55 -0.01 -0.09 -2.00 0.00 0.00 179.45 178.03 1d6t h ARG 64 N 0.00 -0.02 0.00 0.07 2.43 -0.75 -3.00 114.38 113.11 1d6t h ARG 64 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1d6t h ARG 64 Cb 1.31 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1d6t h ARG 64 CO 0.07 0.57 -0.00 0.00 -1.51 0.00 0.00 179.97 179.10 1d6t h ALA 65 N 0.31 1.01 -0.49 2.80 0.00 -1.06 -0.84 119.26 120.99 1d6t h ALA 65 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1d6t h ALA 65 Cb 0.60 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1d6t h ALA 65 CO 0.00 0.00 0.04 0.82 0.00 0.00 0.00 179.25 180.12 1d6t h ILE 66 N 0.00 1.23 -0.74 0.00 2.04 -1.34 -1.65 117.51 117.07 1d6t h ILE 66 Ca -0.00 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1d6t h ILE 66 Cb 0.19 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1d6t h ILE 66 CO 0.00 0.33 0.00 -1.14 0.00 0.00 0.00 178.15 177.34 1d6t n ARG 67 N -4.24 2.85 0.00 2.37 0.63 -0.39 -3.00 116.66 114.89 1d6t n ARG 67 Ca 0.03 -2.71 0.05 0.00 -0.92 0.00 0.00 57.85 54.30 1d6t n ARG 67 Cb 0.27 -1.61 0.01 0.00 0.45 0.00 0.00 32.46 31.58 1d6t n ARG 67 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1d6t n GLU 68 N 1.62 1.64 0.00 -0.14 2.13 -0.70 -4.42 120.64 120.77 1d6t n GLU 68 Ca 0.25 -0.71 0.00 0.00 0.66 0.00 0.00 57.16 57.36 1d6t n GLU 68 Cb 0.66 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.28 1d6t n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1d6t n ASN 69 N -0.05 3.62 0.00 4.31 4.05 -0.72 -4.63 115.26 121.85 1d6t n ASN 69 Ca 0.04 0.00 0.05 0.00 0.45 0.00 0.00 54.58 55.12 1d6t n ASN 69 Cb 0.21 0.00 0.28 0.00 1.23 0.00 0.00 39.78 41.50 1d6t n ASN 69 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1d6t n PHE 70 N -2.40 0.00 0.47 1.20 3.72 -1.16 -1.66 117.46 117.62 1d6t n PHE 70 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1d6t n PHE 70 Cb 0.45 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.11 1d6t n PHE 70 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1d6t n LYS 71 N -0.72 1.75 -0.08 -1.08 -0.00 -1.26 -3.64 118.16 113.14 1d6t n LYS 71 Ca 0.07 -1.74 -0.16 0.00 -0.00 0.00 0.00 58.31 56.48 1d6t n LYS 71 Cb 0.03 -1.35 -0.05 0.00 -0.00 0.00 0.00 35.03 33.66 1d6t n LYS 71 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1d6t n VAL 72 N 1.00 0.99 1.40 0.58 0.24 -0.67 -4.50 118.33 117.38 1d6t n VAL 72 Ca 0.12 -0.16 0.05 0.00 -2.04 0.00 0.00 64.34 62.31 1d6t n VAL 72 Cb 0.46 -1.78 0.16 0.00 -1.47 0.00 0.00 33.84 31.21 1d6t n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d6t n HIS 73 N -3.80 0.24 0.48 6.34 1.44 -1.20 -3.65 115.22 115.06 1d6t n HIS 73 Ca -0.29 -0.12 0.06 0.00 -2.01 0.00 0.00 57.72 55.36 1d6t n HIS 73 Cb 0.67 0.00 0.29 0.00 0.12 0.00 0.00 29.99 31.06 1d6t n HIS 73 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1d6t n LYS 74 N 0.04 0.04 0.07 -1.40 4.81 -1.24 -1.51 118.16 118.97 1d6t n LYS 74 Ca 0.08 0.26 -0.22 0.00 -0.87 0.00 0.00 58.31 57.56 1d6t n LYS 74 Cb 0.18 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.58 1d6t n LYS 74 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1d6t h SER 75 N 0.00 0.57 -0.69 3.14 0.87 -1.89 -3.32 113.55 112.23 1d6t h SER 75 Ca 0.00 -0.86 -0.26 0.00 -1.23 0.00 0.00 61.79 59.44 1d6t h SER 75 Cb 0.20 -0.19 -0.15 0.00 -0.44 0.00 0.00 62.40 61.82 1d6t h SER 75 CO 0.00 1.73 0.28 0.00 -0.53 0.00 0.00 176.83 178.31 1d6t n HIS 76 N -3.56 2.22 -4.17 2.24 1.44 -0.84 -4.94 115.22 107.62 1d6t n HIS 76 Ca -0.24 -1.39 -0.35 0.00 -2.01 0.00 0.00 57.72 53.73 1d6t n HIS 76 Cb 1.07 -0.68 -0.08 0.00 0.12 0.00 0.00 29.99 30.42 1d6t n HIS 76 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1d6t s ILE 77 N -3.09 4.79 0.51 0.61 1.01 -0.57 -0.72 121.20 123.74 1d6t s ILE 77 Ca 0.53 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 61.13 1d6t s ILE 77 Cb 0.43 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1d6t s ILE 77 CO 0.10 0.58 0.36 -1.48 0.00 0.00 0.00 174.94 174.50 1d6t s LEU 78 N -1.04 2.83 0.00 2.97 -0.00 -0.50 -4.90 118.68 118.05 1d6t s LEU 78 Ca 0.15 -1.17 0.00 0.00 -0.00 0.00 0.00 54.13 53.11 1d6t s LEU 78 Cb -0.12 -1.32 0.00 0.00 -0.00 0.00 0.00 46.19 44.75 1d6t s LEU 78 CO 0.04 -0.96 0.00 0.00 -0.00 0.00 0.00 176.35 175.43 1d6t n ALA 79 N -1.65 0.00 -0.32 1.48 0.00 -1.26 -4.25 120.51 114.51 1d6t n ALA 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1d6t n ALA 79 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 0.00 -1.70 0.00 5.02 -0.93 -4.39 118.16 116.16 1d6t n LYS 80 Ca 0.00 0.23 -0.58 0.00 -2.02 0.00 0.00 58.31 55.94 1d6t n LYS 80 Cb 0.00 -0.09 -0.07 0.00 -0.02 0.00 0.00 35.03 34.84 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 2.11 -4.12 4.39 5.75 -1.24 -4.08 116.55 119.36 1d6t n ASP 81 Ca 0.00 1.09 -0.25 0.00 -0.01 0.00 0.00 54.79 55.63 1d6t n ASP 81 Cb 0.00 -1.11 -0.16 0.00 -1.03 0.00 0.00 41.12 38.82 1d6t n ASP 81 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1d6t s ILE 82 N 3.03 1.32 -0.22 2.12 -1.16 -1.05 -3.38 121.20 121.84 1d6t s ILE 82 Ca 0.97 -0.67 -0.03 0.00 -0.51 0.00 0.00 60.65 60.41 1d6t s ILE 82 Cb -1.11 -1.12 0.11 0.00 0.61 0.00 0.00 42.46 40.95 1d6t s ILE 82 CO 0.65 0.38 0.26 -0.63 -2.81 0.00 0.00 174.94 172.79 1d6t s ILE 83 N -0.08 -0.38 -0.42 2.00 1.01 0.02 -2.19 121.20 121.16 1d6t s ILE 83 Ca -0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 1d6t s ILE 83 Cb -0.10 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.64 1d6t s ILE 83 CO 0.01 -0.24 0.56 0.68 0.00 0.00 0.00 174.94 175.95 1d6t s VAL 84 N 2.37 4.94 -0.03 2.92 -7.23 -1.26 0.13 120.40 122.24 1d6t s VAL 84 Ca 0.08 0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 60.24 1d6t s VAL 84 Cb -0.15 -4.11 -0.04 0.00 0.56 0.00 0.00 36.38 32.64 1d6t s VAL 84 CO -0.16 -0.48 0.11 -0.63 -0.31 0.00 0.00 175.10 173.63 1d6t s ILE 85 N 2.53 5.00 -0.35 -0.62 1.09 0.35 -3.14 121.20 126.06 1d6t s ILE 85 Ca 0.19 -0.23 -0.21 0.00 -1.10 0.00 0.00 60.65 59.30 1d6t s ILE 85 Cb -0.15 -3.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 1d6t s ILE 85 CO 0.16 0.41 0.67 0.00 -0.10 0.00 0.00 174.94 176.08 1d6t s ALA 86 N -1.17 3.47 0.74 9.38 0.00 -0.81 -0.72 121.76 132.65 1d6t s ALA 86 Ca 0.22 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1d6t s ALA 86 Cb -0.12 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1d6t s ALA 86 CO 0.12 -1.31 0.00 -2.13 0.00 0.00 0.00 175.76 172.44 1d6t n ARG 87 N 6.08 0.50 -0.06 0.00 0.63 0.12 -3.86 116.66 120.06 1d6t n ARG 87 Ca -0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1d6t n ARG 87 Cb 0.49 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.32 1d6t n ARG 87 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1d6t h GLN 88 N 0.00 0.00 0.00 -0.14 4.15 -1.95 -3.30 115.11 113.87 1d6t h GLN 88 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1d6t h GLN 88 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1d6t h GLN 88 CO 0.00 0.58 0.00 -0.35 -1.93 0.00 0.00 178.83 177.13 1d6t n PRO 89 N -4.66 0.75 0.19 -2.39 -0.04 -1.26 -3.28 135.00 124.31 1d6t n PRO 89 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1d6t n PRO 89 Cb 0.30 -1.31 0.70 0.00 -0.04 0.00 0.00 33.50 33.16 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 3.12 1.00 0.51 0.55 0.00 -1.68 -2.25 119.26 120.51 1d6t h ALA 90 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1d6t h ALA 90 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1d6t h ALA 90 CO 0.00 0.00 -0.35 -0.22 0.00 0.00 0.00 179.25 178.68 1d6t h LYS 91 N 0.00 -0.80 -1.23 0.00 1.63 -1.81 -0.72 116.57 113.64 1d6t h LYS 91 Ca 0.00 0.05 0.35 0.00 -0.85 0.00 0.00 60.65 60.21 1d6t h LYS 91 Cb 0.01 0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 31.76 1d6t h LYS 91 CO 0.00 -0.53 0.87 -0.44 -3.45 0.00 0.00 179.45 175.90 1d6t h ASP 92 N -0.83 0.04 -3.36 4.20 3.32 -1.72 -3.37 116.42 114.71 1d6t h ASP 92 Ca -0.06 0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.44 1d6t h ASP 92 Cb 0.69 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 1d6t h ASP 92 CO 0.03 0.00 0.19 -0.32 -1.72 0.00 0.00 179.24 177.43 1d6t s MET 93 N -4.99 4.41 0.08 3.56 1.75 -0.28 -4.93 119.30 118.90 1d6t s MET 93 Ca -0.05 0.96 0.00 0.00 -1.25 0.00 0.00 55.69 55.35 1d6t s MET 93 Cb 0.24 -3.48 0.00 0.00 2.84 0.00 0.00 34.83 34.42 1d6t s MET 93 CO 0.81 -0.05 0.01 0.25 -0.65 0.00 0.00 175.02 175.39 1d6t n THR 94 N 4.06 0.00 0.18 10.11 -2.24 -1.26 -4.80 114.28 120.32 1d6t n THR 94 Ca 0.01 -0.36 0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1d6t n THR 94 Cb 0.51 0.01 0.46 0.00 -2.10 0.00 0.00 70.33 69.21 1d6t n THR 94 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1d6t h THR 95 N 0.97 0.00 0.05 4.28 2.02 -1.96 1.49 112.91 119.76 1d6t h THR 95 Ca -0.06 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.81 1d6t h THR 95 Cb 0.19 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1d6t h THR 95 CO 0.10 0.00 -1.70 -0.11 0.37 0.00 0.00 175.52 174.19 1d6t n LEU 96 N -2.17 2.24 0.07 2.58 -0.00 -1.26 -4.06 117.00 114.39 1d6t n LEU 96 Ca -0.01 0.31 0.13 0.00 -0.00 0.00 0.00 56.01 56.43 1d6t n LEU 96 Cb 0.24 -1.02 0.47 0.00 -0.00 0.00 0.00 43.42 43.11 1d6t n LEU 96 CO 0.08 0.56 0.90 0.00 -0.00 0.00 0.00 177.39 178.93 1d6t n GLN 97 N -3.98 0.16 0.20 1.96 6.02 0.48 -3.55 117.38 118.67 1d6t n GLN 97 Ca -0.34 0.17 -0.14 0.00 -0.01 0.00 0.00 57.00 56.68 1d6t n GLN 97 Cb 0.86 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 30.34 1d6t n GLN 97 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1d6t h ILE 98 N 0.00 0.61 0.00 5.09 5.03 0.18 -1.28 117.51 127.14 1d6t h ILE 98 Ca 0.00 -0.40 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 1d6t h ILE 98 Cb 0.60 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 1d6t h ILE 98 CO 0.00 0.07 0.21 1.56 -0.68 0.00 0.00 178.15 179.31 1d6t h GLN 99 N -0.75 0.00 0.00 2.37 4.20 -1.71 1.58 115.11 120.80 1d6t h GLN 99 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1d6t h GLN 99 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1d6t h GLN 99 CO 0.09 0.00 -0.88 -0.91 -0.67 0.00 0.00 178.83 176.45 1d6t h ASN 100 N 0.00 0.00 0.00 1.46 2.35 -1.51 -3.23 115.58 114.65 1d6t h ASN 100 Ca 0.00 -0.10 -0.35 0.00 -0.55 0.00 0.00 56.30 55.30 1d6t h ASN 100 Cb 0.41 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.73 1d6t h ASN 100 CO 0.00 0.05 -2.07 -1.20 -1.65 0.00 0.00 177.43 172.56 1d6t n SER 101 N -2.44 1.94 0.10 5.81 7.64 0.46 -4.28 113.62 122.85 1d6t n SER 101 Ca 0.01 0.36 0.20 0.00 1.01 0.00 0.00 58.87 60.45 1d6t n SER 101 Cb 0.50 -0.83 0.76 0.00 -1.01 0.00 0.00 64.21 63.63 1d6t n SER 101 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1d6t h LEU 102 N -1.00 0.00 0.00 -3.43 3.38 0.62 1.28 115.31 116.16 1d6t h LEU 102 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1d6t h LEU 102 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1d6t h LEU 102 CO -0.32 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.59 1d6t n GLU 103 N -3.80 0.69 0.00 1.13 1.02 -1.22 -2.80 120.64 115.66 1d6t n GLU 103 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1d6t n GLU 103 Cb 0.56 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1d6t n GLU 103 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1d6t n HIS 104 N -0.96 0.00 -0.37 -0.32 -0.00 0.42 -4.39 115.22 109.60 1d6t n HIS 104 Ca 0.15 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.30 1d6t n HIS 104 Cb 0.07 0.08 0.01 0.00 -0.12 0.00 0.00 29.99 30.03 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 -1.61 -0.53 -0.19 3.57 3.14 -0.18 0.15 118.33 122.68 1d6t n VAL 105 Ca 0.00 2.24 -0.10 0.00 -2.96 0.00 0.00 64.34 63.53 1d6t n VAL 105 Cb 0.00 -2.92 0.01 0.00 -1.06 0.00 0.00 33.84 29.87 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 1.01 -1.92 6.55 5.85 -1.69 -0.69 115.31 124.42 1d6t h LEU 106 Ca 0.29 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1d6t h LEU 106 Cb 0.53 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1d6t h LEU 106 CO -0.93 1.10 0.13 0.50 -0.34 0.00 0.00 178.44 178.90 1d6t h LYS 107 N 0.90 0.00 0.05 1.25 3.64 0.15 0.88 116.57 123.43 1d6t h LYS 107 Ca 0.15 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.15 1d6t h LYS 107 Cb 0.62 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 1d6t h LYS 107 CO 0.04 0.00 -2.26 -0.89 -2.27 0.00 0.00 179.45 174.07 1d6t n ILE 108 N -2.60 1.61 -0.35 2.00 5.41 0.20 -4.22 119.36 121.40 1d6t n ILE 108 Ca -0.02 -0.63 0.14 0.00 1.00 0.00 0.00 62.75 63.25 1d6t n ILE 108 Cb 0.17 -1.49 0.34 0.00 -0.71 0.00 0.00 39.64 37.95 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 0.11 1.69 -0.59 -1.39 0.00 0.60 -3.45 119.26 116.22 1d6t h ALA 109 Ca -0.51 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1d6t h ALA 109 Cb 1.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1d6t h ALA 109 CO -0.01 -0.12 -0.04 1.17 0.00 0.00 0.00 179.25 180.25 1d6t n LYS 110 N -4.81 -0.28 -0.01 0.00 3.00 -0.82 -4.91 118.16 110.33 1d6t n LYS 110 Ca 0.24 0.07 0.09 0.00 -0.00 0.00 0.00 58.31 58.72 1d6t n LYS 110 Cb 0.62 -3.37 0.52 0.00 0.00 0.00 0.00 35.03 32.81 1d6t n LYS 110 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1d6t n VAL 111 N -3.58 0.03 -4.11 3.15 0.24 -1.26 -4.66 118.33 108.15 1d6t n VAL 111 Ca -0.01 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.34 61.98 1d6t n VAL 111 Cb 0.51 -0.20 -0.17 0.00 -1.47 0.00 0.00 33.84 32.51 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 -1.97 1.51 0.15 6.34 -0.71 -1.26 -1.41 117.98 120.64 1d6t s PHE 112 Ca 0.28 -0.71 -0.16 0.00 -1.04 0.00 0.00 56.93 55.30 1d6t s PHE 112 Cb 0.13 -1.20 0.05 0.00 -1.21 0.00 0.00 43.02 40.79 1d6t s PHE 112 CO 0.22 -0.45 1.76 -2.95 -1.34 0.00 0.00 175.22 172.45 1d6t h ASN 113 N 7.82 0.18 0.00 1.98 7.08 -1.19 -3.48 115.58 127.97 1d6t h ASN 113 Ca -0.31 0.03 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 1d6t h ASN 113 Cb 1.15 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.39 1d6t h ASN 113 CO 0.44 0.14 0.00 0.29 -2.08 0.00 0.00 177.43 176.22 1d6t n LYS 114 N -4.99 0.00 -3.21 4.14 5.02 -1.25 -5.01 118.16 112.86 1d6t n LYS 114 Ca 0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1d6t n LYS 114 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.08 1d6t n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d6t n LYS 115 N 0.00 -0.90 -3.90 1.97 5.02 -1.26 -4.83 118.16 114.27 1d6t n LYS 115 Ca 0.00 0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 56.12 1d6t n LYS 115 Cb 0.00 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 32.79 1d6t n LYS 115 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1d6t s ILE 116 N -2.76 5.26 -2.00 -0.18 1.01 -1.26 -4.86 121.20 116.42 1d6t s ILE 116 Ca 0.26 -0.81 0.16 0.00 0.00 0.00 0.00 60.65 60.27 1d6t s ILE 116 Cb -0.15 -3.81 0.45 0.00 0.01 0.00 0.00 42.46 38.95 1d6t s ILE 116 CO 0.52 -0.26 1.35 1.17 0.00 0.00 0.00 174.94 177.73