#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 4.77 -1.26 -5.17 117.00 119.38 1d6t n LEU 2 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1d6t n LEU 2 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1d6t n LEU 2 CO 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 177.39 176.07 1d6t n LEU 3 N 0.00 0.00 0.00 2.23 -0.00 -1.26 -5.15 117.00 112.82 1d6t n LEU 3 Ca 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 56.01 54.39 1d6t n LEU 3 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1d6t n LEU 3 CO 0.00 -0.40 0.00 1.21 -0.00 0.00 0.00 177.39 178.20 1d6t n GLU 4 N -1.12 0.00 0.00 1.47 2.13 -1.26 -4.95 120.64 116.91 1d6t n GLU 4 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1d6t n GLU 4 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 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 0.00 0.00 -0.64 5.31 2.85 -1.26 -2.78 118.16 121.64 1d6t n LYS 5 Ca 0.00 0.23 0.48 0.00 -1.05 0.00 0.00 58.31 57.97 1d6t n LYS 5 Cb 0.00 -1.53 0.74 0.00 -0.65 0.00 0.00 35.03 33.59 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 -1.20 1.70 0.32 0.58 0.00 -1.26 0.20 120.51 120.85 1d6t n ALA 6 Ca 0.00 0.61 0.09 0.00 0.00 0.00 0.00 53.44 54.14 1d6t n ALA 6 Cb 0.03 -1.04 0.48 0.00 0.00 0.00 0.00 19.45 18.92 1d6t n ALA 6 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1d6t h TYR 7 N 0.00 0.00 -3.73 0.00 0.05 -1.74 -3.40 116.97 108.15 1d6t h TYR 7 Ca 0.86 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 59.13 1d6t h TYR 7 Cb 3.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 41.14 1d6t h TYR 7 CO -0.00 0.00 0.43 -0.98 -1.05 0.00 0.00 178.16 176.56 1d6t s ARG 8 N -3.96 4.70 -0.93 4.88 1.70 0.54 -1.37 118.95 124.51 1d6t s ARG 8 Ca -0.02 1.68 -0.25 0.00 -0.47 0.00 0.00 55.73 56.67 1d6t s ARG 8 Cb 0.05 -3.24 -0.07 0.00 -0.57 0.00 0.00 34.95 31.12 1d6t s ARG 8 CO 0.16 0.27 2.01 0.42 -1.08 0.00 0.00 175.30 177.08 1d6t s ILE 9 N -0.91 3.40 0.03 4.99 -1.09 -1.26 -4.73 121.20 121.63 1d6t s ILE 9 Ca 0.45 -0.39 -0.20 0.00 -2.23 0.00 0.00 60.65 58.28 1d6t s ILE 9 Cb -0.29 -3.96 -0.17 0.00 -1.58 0.00 0.00 42.46 36.47 1d6t s ILE 9 CO 0.36 -0.82 1.26 0.11 -1.23 0.00 0.00 174.94 174.63 1d6t h LYS 10 N 11.27 0.40 -6.09 2.79 1.57 -1.91 -3.43 116.57 121.16 1d6t h LYS 10 Ca 0.10 -0.27 -0.57 0.00 -1.87 0.00 0.00 60.65 58.03 1d6t h LYS 10 Cb 1.00 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 1d6t h LYS 10 CO 1.18 0.88 -0.04 0.15 -0.57 0.00 0.00 179.45 181.05 1d6t s LYS 11 N -3.92 4.26 0.26 3.15 1.02 -1.26 -4.96 119.74 118.29 1d6t s LYS 11 Ca -0.14 0.69 -0.02 0.00 0.02 0.00 0.00 55.97 56.52 1d6t s LYS 11 Cb 0.05 -3.31 0.35 0.00 -0.52 0.00 0.00 37.83 34.39 1d6t s LYS 11 CO 0.78 0.45 1.79 -0.91 -0.92 0.00 0.00 175.35 176.53 1d6t h ASN 12 N 5.36 0.79 -0.59 2.83 2.35 -2.00 -2.70 115.58 121.61 1d6t h ASN 12 Ca -0.47 -0.16 0.12 0.00 -0.55 0.00 0.00 56.30 55.24 1d6t h ASN 12 Cb 1.20 -0.21 -0.11 0.00 0.05 0.00 0.00 38.32 39.25 1d6t h ASN 12 CO 0.68 0.81 -0.16 0.00 -1.65 0.00 0.00 177.43 177.11 1d6t h ALA 13 N 1.29 0.37 -0.87 -0.83 0.00 -1.97 1.52 119.26 118.77 1d6t h ALA 13 Ca 0.17 0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.52 1d6t h ALA 13 Cb 0.37 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1d6t h ALA 13 CO 0.01 -0.44 0.60 -0.44 0.00 0.00 0.00 179.25 178.97 1d6t h ASP 14 N -0.01 0.24 0.18 0.00 3.32 -1.89 1.57 116.42 119.83 1d6t h ASP 14 Ca 0.28 0.03 -0.33 0.00 0.02 0.00 0.00 57.03 57.03 1d6t h ASP 14 Cb 0.44 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.99 1d6t h ASP 14 CO -0.62 0.09 -1.60 0.15 -1.72 0.00 0.00 179.24 175.55 1d6t h PHE 15 N 0.24 0.70 -0.38 4.55 3.57 0.11 -3.34 116.94 122.39 1d6t h PHE 15 Ca 0.44 -0.51 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1d6t h PHE 15 Cb 1.34 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1d6t h PHE 15 CO -0.00 1.62 -0.00 -0.56 -2.23 0.00 0.00 178.31 177.14 1d6t h GLN 16 N 0.00 0.67 -1.12 1.11 3.07 0.36 -2.30 115.11 116.91 1d6t h GLN 16 Ca -0.32 -0.22 0.32 0.00 0.09 0.00 0.00 58.65 58.53 1d6t h GLN 16 Cb 2.02 -0.06 -0.11 0.00 0.08 0.00 0.00 27.48 29.41 1d6t h GLN 16 CO 0.17 0.78 0.71 -0.09 0.09 0.00 0.00 178.83 180.48 1d6t h ARG 17 N 0.50 0.29 0.03 0.06 1.12 0.20 0.80 114.38 117.38 1d6t h ARG 17 Ca 0.11 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 1d6t h ARG 17 Cb 0.47 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1d6t h ARG 17 CO 0.02 0.19 -0.01 0.82 -3.11 0.00 0.00 179.97 177.88 1d6t h ILE 18 N 0.30 1.42 0.00 1.20 2.04 -1.61 -3.13 117.51 117.73 1d6t h ILE 18 Ca 0.67 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1d6t h ILE 18 Cb 1.83 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 40.42 1d6t h ILE 18 CO -0.37 0.42 0.00 -1.22 0.00 0.00 0.00 178.15 176.98 1d6t n TYR 19 N -4.74 0.62 0.00 1.37 4.01 0.45 -0.49 117.16 118.38 1d6t n TYR 19 Ca -0.09 0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.98 1d6t n TYR 19 Cb 0.35 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.37 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 -2.14 0.00 -0.11 -0.72 4.81 0.25 -4.73 118.16 115.53 1d6t n LYS 20 Ca -0.01 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.46 1d6t n LYS 20 Cb 0.03 -0.37 0.05 0.00 0.02 0.00 0.00 35.03 34.76 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 -0.05 1.41 -0.20 1.64 5.02 -1.23 -5.08 118.16 119.67 1d6t n LYS 21 Ca 0.00 -1.59 -0.08 0.00 -2.02 0.00 0.00 58.31 54.62 1d6t n LYS 21 Cb 0.00 -0.99 0.07 0.00 -0.02 0.00 0.00 35.03 34.09 1d6t n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d6t n GLY 22 N -0.63 -2.14 2.85 0.72 0.00 0.36 -5.00 105.19 101.34 1d6t n GLY 22 Ca 0.05 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.22 1.55 0.12 1.61 2.46 0.41 -4.98 115.29 115.25 1d6t s HIS 23 Ca 0.17 -1.05 0.07 0.00 0.47 0.00 0.00 55.06 54.71 1d6t s HIS 23 Cb -0.03 -1.24 -0.04 0.00 -0.13 0.00 0.00 32.58 31.14 1d6t s HIS 23 CO 0.14 -0.61 -0.05 -1.54 -2.47 0.00 0.00 174.74 170.20 1d6t s SER 24 N 1.68 4.64 -0.06 9.88 1.04 -1.26 -1.28 113.70 128.34 1d6t s SER 24 Ca -0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1d6t s SER 24 Cb -0.16 -0.97 0.02 0.00 0.10 0.00 0.00 66.02 65.01 1d6t s SER 24 CO -0.07 0.16 -0.05 0.68 0.98 0.00 0.00 173.24 174.93 1d6t s VAL 25 N -1.36 0.69 -0.07 5.02 -7.23 0.90 -4.97 120.40 113.38 1d6t s VAL 25 Ca 0.24 -0.17 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 1d6t s VAL 25 Cb -0.11 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 1d6t s VAL 25 CO 0.16 0.28 -0.10 0.00 -0.31 0.00 0.00 175.10 175.13 1d6t s ALA 26 N 1.19 2.86 0.00 1.32 0.00 -1.26 -1.06 121.76 124.82 1d6t s ALA 26 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1d6t s ALA 26 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1d6t s ALA 26 CO -0.02 0.54 0.00 0.27 0.00 0.00 0.00 175.76 176.56 1d6t n ASN 27 N 2.34 0.00 0.00 0.00 6.94 0.91 -4.97 115.26 120.49 1d6t n ASN 27 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.38 1d6t n ASN 27 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 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 0.00 0.00 -2.35 -3.83 3.00 -1.26 -3.82 116.66 108.39 1d6t n ARG 28 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 57.85 58.24 1d6t n ARG 28 Cb 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 32.46 31.77 1d6t n ARG 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1d6t n GLN 29 N -1.22 1.26 -4.13 5.56 3.00 -1.26 -4.94 117.38 115.66 1d6t n GLN 29 Ca 0.00 -3.06 -0.16 0.00 -0.01 0.00 0.00 57.00 53.77 1d6t n GLN 29 Cb 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 30.24 28.99 1d6t n GLN 29 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1d6t s PHE 30 N -2.61 0.94 -0.22 1.08 2.19 -1.25 -3.97 117.98 114.15 1d6t s PHE 30 Ca 0.30 -0.47 -0.04 0.00 0.33 0.00 0.00 56.93 57.05 1d6t s PHE 30 Cb 0.35 -0.54 0.07 0.00 -1.31 0.00 0.00 43.02 41.59 1d6t s PHE 30 CO -0.08 -0.01 0.09 0.54 1.83 0.00 0.00 175.22 177.59 1d6t s VAL 31 N -1.29 0.09 -0.24 3.12 0.11 -0.16 -0.06 120.40 121.97 1d6t s VAL 31 Ca -0.06 -0.48 -0.09 0.00 -2.93 0.00 0.00 61.98 58.42 1d6t s VAL 31 Cb -0.10 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1d6t s VAL 31 CO 0.01 -0.42 0.12 0.68 -3.33 0.00 0.00 175.10 172.16 1d6t s VAL 32 N 2.04 4.90 -0.23 2.04 -7.23 -0.22 0.18 120.40 121.87 1d6t s VAL 32 Ca 0.04 0.02 -0.07 0.00 -1.81 0.00 0.00 61.98 60.16 1d6t s VAL 32 Cb -0.16 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 1d6t s VAL 32 CO -0.18 0.34 0.06 -0.31 -0.31 0.00 0.00 175.10 174.70 1d6t s TYR 33 N 1.28 3.10 0.16 2.82 1.51 0.60 -0.07 117.35 126.74 1d6t s TYR 33 Ca 0.06 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1d6t s TYR 33 Cb -0.14 -2.19 -0.05 0.00 -0.11 0.00 0.00 41.96 39.47 1d6t s TYR 33 CO 0.05 -0.26 -0.07 0.95 -1.11 0.00 0.00 175.55 175.11 1d6t s THR 34 N 1.33 1.02 0.03 -0.71 -4.23 -0.40 0.22 115.64 112.90 1d6t s THR 34 Ca 0.05 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.38 1d6t s THR 34 Cb -0.15 -1.93 0.03 0.00 1.34 0.00 0.00 72.50 71.79 1d6t s THR 34 CO 0.03 -0.67 0.34 0.00 -0.54 0.00 0.00 174.62 173.78 1d6t n ASN 36 N 0.71 0.89 -4.50 0.00 6.94 -1.26 -3.68 115.26 114.36 1d6t n ASN 36 Ca -0.19 1.14 -0.59 0.00 -0.02 0.00 0.00 54.58 54.93 1d6t n ASN 36 Cb 0.59 -1.15 -0.08 0.00 -2.36 0.00 0.00 39.78 36.78 1d6t n ASN 36 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1d6t n ASN 37 N 1.93 0.04 -1.40 0.53 2.85 -1.26 -4.78 115.26 113.17 1d6t n ASN 37 Ca 0.16 1.16 -0.02 0.00 -0.11 0.00 0.00 54.58 55.77 1d6t n ASN 37 Cb 0.23 -0.93 0.18 0.00 1.24 0.00 0.00 39.78 40.50 1d6t n ASN 37 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1d6t n LYS 38 N 1.53 2.66 -1.22 1.20 -0.00 -1.26 -4.77 118.16 116.30 1d6t n LYS 38 Ca 0.20 -1.70 0.00 0.00 -0.00 0.00 0.00 58.31 56.81 1d6t n LYS 38 Cb 0.09 -1.83 0.00 0.00 -0.00 0.00 0.00 35.03 33.29 1d6t n LYS 38 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1d6t n GLU 39 N 0.10 0.00 0.00 -1.58 4.07 -1.26 -5.10 120.64 116.87 1d6t n GLU 39 Ca 0.21 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 1d6t n GLU 39 Cb 0.89 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 1d6t n GLU 39 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1d6t n ILE 40 N -0.90 0.00 0.00 6.31 0.13 -1.26 -5.07 119.36 118.57 1d6t n ILE 40 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1d6t n ILE 40 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.08 1d6t n ILE 40 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1d6t n ASP 41 N 0.00 0.00 0.00 9.51 5.75 -1.26 -4.99 116.55 125.56 1d6t n ASP 41 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1d6t n ASP 41 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1d6t n ASP 41 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1d6t n HIS 42 N 0.00 0.00 -1.11 2.11 8.25 -1.26 -4.71 115.22 118.50 1d6t n HIS 42 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1d6t n HIS 42 Cb 0.00 0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 1d6t n HIS 42 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1d6t n PHE 43 N 0.00 -1.69 -3.47 4.41 -1.74 -1.26 -4.77 117.46 108.94 1d6t n PHE 43 Ca 0.00 0.92 -0.24 0.00 -0.56 0.00 0.00 57.45 57.58 1d6t n PHE 43 Cb 0.47 -1.46 -0.12 0.00 1.52 0.00 0.00 39.48 39.89 1d6t n PHE 43 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1d6t s ARG 44 N -4.65 0.28 0.03 3.97 0.52 -1.26 -4.48 118.95 113.37 1d6t s ARG 44 Ca 0.00 -0.43 -0.19 0.00 -0.52 0.00 0.00 55.73 54.59 1d6t s ARG 44 Cb 0.00 -0.94 -0.06 0.00 0.52 0.00 0.00 34.95 34.47 1d6t s ARG 44 CO 0.00 -1.04 0.56 -0.48 0.02 0.00 0.00 175.30 174.36 1d6t s LEU 45 N 2.13 4.47 0.55 2.53 -0.00 -0.47 -2.23 118.68 125.65 1d6t s LEU 45 Ca 0.10 1.18 0.06 0.00 -0.00 0.00 0.00 54.13 55.47 1d6t s LEU 45 Cb -0.15 -2.87 0.04 0.00 -0.00 0.00 0.00 46.19 43.21 1d6t s LEU 45 CO -0.32 0.21 0.45 -0.83 -0.00 0.00 0.00 176.35 175.86 1d6t s GLY 46 N -0.70 2.29 -0.17 -3.48 0.00 -0.97 -4.25 107.32 100.04 1d6t s GLY 46 Ca 0.29 -1.37 -0.05 0.00 0.00 0.00 0.00 44.72 43.59 1d6t s GLY 46 CO 0.17 -1.91 0.09 -0.42 0.00 0.00 0.00 173.10 171.03 1d6t s ILE 47 N -2.76 -0.04 0.22 0.90 1.09 -1.26 -3.29 121.20 116.06 1d6t s ILE 47 Ca 0.37 -0.20 0.08 0.00 -1.10 0.00 0.00 60.65 59.80 1d6t s ILE 47 Cb -0.03 -0.61 -0.05 0.00 -1.06 0.00 0.00 42.46 40.71 1d6t s ILE 47 CO 0.23 -0.28 -0.13 -0.44 -0.10 0.00 0.00 174.94 174.23 1d6t s SER 48 N 2.12 2.62 0.20 3.58 0.01 -1.06 -5.03 113.70 116.13 1d6t s SER 48 Ca 0.02 -1.06 -0.08 0.00 1.31 0.00 0.00 55.95 56.14 1d6t s SER 48 Cb -0.16 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1d6t s SER 48 CO -0.09 -0.21 0.29 -0.69 0.41 0.00 0.00 173.24 172.96 1d6t s VAL 49 N -2.98 0.03 0.56 3.43 1.01 -1.26 -2.46 120.40 118.73 1d6t s VAL 49 Ca 0.24 -1.58 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1d6t s VAL 49 Cb 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.29 1d6t s VAL 49 CO 0.08 -0.14 0.78 -0.55 0.00 0.00 0.00 175.10 175.27 1d6t s SER 50 N -3.04 5.23 0.00 3.32 0.15 -0.90 -4.80 113.70 113.67 1d6t s SER 50 Ca 0.25 -0.05 0.14 0.00 0.70 0.00 0.00 55.95 56.98 1d6t s SER 50 Cb 0.03 -0.80 0.05 0.00 -1.71 0.00 0.00 66.02 63.59 1d6t s SER 50 CO 0.06 -1.18 0.86 0.29 1.20 0.00 0.00 173.24 174.47 1d6t n LYS 51 N -2.36 1.47 -0.00 5.44 4.76 -1.26 -4.26 118.16 121.95 1d6t n LYS 51 Ca 0.08 -1.02 0.08 0.00 -2.87 0.00 0.00 58.31 54.59 1d6t n LYS 51 Cb 0.60 -1.24 -0.12 0.00 -1.84 0.00 0.00 35.03 32.43 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1d6t n LYS 52 N 0.27 0.98 0.00 1.97 4.01 -1.26 -4.68 118.16 119.45 1d6t n LYS 52 Ca 0.07 -0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1d6t n LYS 52 Cb 0.32 -1.36 0.00 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 -1.74 0.00 0.00 -0.35 0.00 -1.26 -4.97 117.00 108.68 1d6t n LEU 53 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 56.01 56.58 1d6t n LEU 53 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.69 1d6t n LEU 53 CO 0.36 -0.09 0.00 0.61 0.00 0.00 0.00 177.39 178.27 1d6t n GLY 54 N -0.98 -0.93 4.03 -3.96 0.00 -1.26 -4.72 105.19 97.36 1d6t n GLY 54 Ca 0.00 0.66 -0.19 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.00 5.22 0.50 1.61 2.47 -1.26 -4.99 114.94 114.49 1d6t s ASN 55 Ca 0.00 -0.76 0.27 0.00 0.42 0.00 0.00 52.86 52.79 1d6t s ASN 55 Cb 0.00 0.10 1.30 0.00 -1.45 0.00 0.00 41.25 41.20 1d6t s ASN 55 CO 0.00 -1.22 2.00 0.00 -3.72 0.00 0.00 177.10 174.15 1d6t h ALA 56 N 0.27 1.18 -0.93 1.71 0.00 -2.01 -2.41 119.26 117.09 1d6t h ALA 56 Ca -0.32 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.56 1d6t h ALA 56 Cb 1.29 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1d6t h ALA 56 CO 0.42 0.19 0.56 -0.24 0.00 0.00 0.00 179.25 180.18 1d6t h VAL 57 N 0.00 0.92 -0.20 0.00 3.04 -1.98 0.50 116.25 118.53 1d6t h VAL 57 Ca -0.00 -0.31 -0.09 0.00 -1.01 0.00 0.00 66.70 65.29 1d6t h VAL 57 Cb 0.47 -0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 29.67 1d6t h VAL 57 CO 0.02 0.17 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.46 1d6t h LEU 58 N 0.92 0.54 0.00 3.16 3.38 -1.82 -0.62 115.31 120.87 1d6t h LEU 58 Ca 0.45 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1d6t h LEU 58 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1d6t h LEU 58 CO -0.26 0.91 0.00 -1.14 0.09 0.00 0.00 178.44 178.05 1d6t n ARG 59 N -4.42 0.07 -0.08 1.13 0.63 -0.39 -0.01 116.66 113.60 1d6t n ARG 59 Ca -0.05 0.24 -0.08 0.00 -0.92 0.00 0.00 57.85 57.04 1d6t n ARG 59 Cb 0.41 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.67 1d6t n ARG 59 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1d6t n ASN 60 N -1.41 0.12 0.05 6.15 3.02 0.16 -3.09 115.26 120.26 1d6t n ASN 60 Ca 0.04 0.06 -0.15 0.00 -0.03 0.00 0.00 54.58 54.50 1d6t n ASN 60 Cb 0.13 0.94 -0.14 0.00 -0.61 0.00 0.00 39.78 40.10 1d6t n ASN 60 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1d6t h LYS 61 N 0.00 0.20 -0.09 3.52 1.57 -0.11 -1.68 116.57 119.97 1d6t h LYS 61 Ca -0.46 -0.34 -0.24 0.00 -1.87 0.00 0.00 60.65 57.74 1d6t h LYS 61 Cb 2.10 0.13 0.01 0.00 0.08 0.00 0.00 32.23 34.55 1d6t h LYS 61 CO 0.03 1.04 -0.88 0.82 -0.57 0.00 0.00 179.45 179.89 1d6t h ILE 62 N 0.05 1.28 0.42 1.86 2.04 -0.62 -1.79 117.51 120.76 1d6t h ILE 62 Ca -0.23 -2.09 -0.02 0.00 1.00 0.00 0.00 64.86 63.52 1d6t h ILE 62 Cb 1.99 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1d6t h ILE 62 CO 0.15 0.65 -0.20 0.11 0.00 0.00 0.00 178.15 178.86 1d6t h LYS 63 N 0.48 -0.55 -0.94 2.37 1.57 -1.65 0.26 116.57 118.10 1d6t h LYS 63 Ca -0.08 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 58.95 1d6t h LYS 63 Cb 1.52 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.83 1d6t h LYS 63 CO 0.18 -0.30 0.49 0.07 -0.57 0.00 0.00 179.45 179.33 1d6t h ARG 64 N -1.09 0.52 0.00 3.15 0.11 -1.41 1.34 114.38 117.00 1d6t h ARG 64 Ca -0.06 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 59.87 1d6t h ARG 64 Cb 0.51 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.45 1d6t h ARG 64 CO 0.10 0.34 -0.60 0.00 0.10 0.00 0.00 179.97 179.92 1d6t h ALA 65 N 1.69 0.83 -0.02 0.08 0.00 -1.32 -0.73 119.26 119.79 1d6t h ALA 65 Ca 0.58 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1d6t h ALA 65 Cb 1.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1d6t h ALA 65 CO -0.47 0.74 -0.81 0.82 0.00 0.00 0.00 179.25 179.53 1d6t h ILE 66 N 0.00 1.46 -0.62 0.00 2.04 0.46 -2.22 117.51 118.62 1d6t h ILE 66 Ca -0.01 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.42 1d6t h ILE 66 Cb 1.19 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1d6t h ILE 66 CO 0.08 0.71 0.00 -2.11 0.00 0.00 0.00 178.15 176.83 1d6t n ARG 67 N -3.72 2.61 0.00 2.37 1.85 0.38 -3.80 116.66 116.34 1d6t n ARG 67 Ca -0.04 -2.30 0.00 0.00 -1.00 0.00 0.00 57.85 54.51 1d6t n ARG 67 Cb 0.76 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.63 1d6t n ARG 67 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1d6t n GLU 68 N 1.28 0.94 -0.05 2.89 -0.58 -0.29 -4.47 120.64 120.35 1d6t n GLU 68 Ca 0.21 -0.36 -0.05 0.00 -0.42 0.00 0.00 57.16 56.55 1d6t n GLU 68 Cb 0.57 -0.85 -0.02 0.00 -0.57 0.00 0.00 31.44 30.58 1d6t n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1d6t n ASN 69 N -0.24 1.20 0.29 1.62 2.85 -0.85 -4.20 115.26 115.92 1d6t n ASN 69 Ca 0.00 0.31 0.18 0.00 -0.11 0.00 0.00 54.58 54.96 1d6t n ASN 69 Cb 0.01 -0.68 0.97 0.00 1.24 0.00 0.00 39.78 41.32 1d6t n ASN 69 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1d6t h PHE 70 N -0.63 0.00 0.26 1.20 -1.00 -1.85 0.10 116.94 115.02 1d6t h PHE 70 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1d6t h PHE 70 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1d6t h PHE 70 CO -0.22 0.00 -0.12 -0.22 -1.61 0.00 0.00 178.31 176.13 1d6t h LYS 71 N 0.00 -0.33 -0.04 1.51 1.63 -1.78 1.74 116.57 119.29 1d6t h LYS 71 Ca 0.03 0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.66 1d6t h LYS 71 Cb 0.29 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1d6t h LYS 71 CO -0.00 -0.18 -0.71 -0.39 -3.45 0.00 0.00 179.45 174.72 1d6t h VAL 72 N -0.40 1.36 0.00 2.00 -1.51 -1.46 -2.89 116.25 113.35 1d6t h VAL 72 Ca -0.04 -2.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.39 1d6t h VAL 72 Cb 0.31 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 1d6t h VAL 72 CO 0.06 0.62 0.00 1.41 -1.23 0.00 0.00 177.57 178.42 1d6t n HIS 73 N -4.10 0.00 -0.13 5.19 8.25 0.25 -3.95 115.22 120.72 1d6t n HIS 73 Ca -0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1d6t n HIS 73 Cb 0.72 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.26 0.00 -0.41 3.64 0.29 1.80 116.57 121.63 1d6t h LYS 74 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1d6t h LYS 74 Cb 0.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1d6t h LYS 74 CO 0.00 -0.17 0.00 0.43 -2.27 0.00 0.00 179.45 177.44 1d6t n SER 75 N -5.42 0.00 -0.00 4.20 7.64 -1.25 -1.67 113.62 117.11 1d6t n SER 75 Ca 0.01 -0.58 0.08 0.00 1.01 0.00 0.00 58.87 59.40 1d6t n SER 75 Cb 0.35 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.39 1d6t n SER 75 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1d6t n HIS 76 N -1.05 0.00 -3.84 1.43 8.25 0.55 -4.95 115.22 115.60 1d6t n HIS 76 Ca 0.16 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.33 1d6t n HIS 76 Cb 0.09 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.72 5.30 0.11 1.59 1.09 0.24 -2.69 121.20 124.12 1d6t s ILE 77 Ca 0.06 -0.40 0.11 0.00 -1.10 0.00 0.00 60.65 59.32 1d6t s ILE 77 Cb 0.13 -3.68 -0.04 0.00 -1.06 0.00 0.00 42.46 37.82 1d6t s ILE 77 CO 0.73 0.00 -0.27 -1.48 -0.10 0.00 0.00 174.94 173.83 1d6t s LEU 78 N -2.89 2.28 -0.43 2.97 -0.00 -1.25 -4.91 118.68 114.45 1d6t s LEU 78 Ca 0.36 -0.71 -0.40 0.00 -0.00 0.00 0.00 54.13 53.39 1d6t s LEU 78 Cb -0.12 -1.24 -0.15 0.00 -0.00 0.00 0.00 46.19 44.68 1d6t s LEU 78 CO 0.28 0.20 2.17 0.00 -0.00 0.00 0.00 176.35 179.00 1d6t n ALA 79 N 1.14 0.63 -3.15 1.48 0.00 -1.26 -4.55 120.51 114.80 1d6t n ALA 79 Ca -0.18 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.39 1d6t n ALA 79 Cb 0.53 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 1d6t n ALA 79 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1d6t s LYS 80 N 6.13 0.05 -0.29 0.00 2.47 -1.26 -4.74 119.74 122.09 1d6t s LYS 80 Ca 1.15 0.08 -0.41 0.00 -1.56 0.00 0.00 55.97 55.23 1d6t s LYS 80 Cb -1.20 0.05 -0.19 0.00 -1.46 0.00 0.00 37.83 35.03 1d6t s LYS 80 CO 0.58 -0.06 1.31 -0.25 0.16 0.00 0.00 175.35 177.09 1d6t n ASP 81 N 5.44 0.71 -4.04 1.43 9.92 -1.24 -4.33 116.55 124.43 1d6t n ASP 81 Ca -0.07 1.10 -0.08 0.00 -0.53 0.00 0.00 54.79 55.22 1d6t n ASP 81 Cb 0.55 -0.84 -0.10 0.00 -0.64 0.00 0.00 41.12 40.09 1d6t n ASP 81 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1d6t s ILE 82 N 1.76 0.18 -0.27 0.53 -1.16 -0.95 -1.91 121.20 119.38 1d6t s ILE 82 Ca 0.93 -1.47 -0.01 0.00 -0.51 0.00 0.00 60.65 59.60 1d6t s ILE 82 Cb -1.32 -1.10 0.16 0.00 0.61 0.00 0.00 42.46 40.80 1d6t s ILE 82 CO 0.68 -0.81 0.46 -0.63 -2.81 0.00 0.00 174.94 171.83 1d6t s ILE 83 N -3.11 -0.74 -0.44 2.00 1.01 0.59 -2.30 121.20 118.21 1d6t s ILE 83 Ca -0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 1d6t s ILE 83 Cb 0.02 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.60 1d6t s ILE 83 CO -0.07 -0.11 0.72 0.68 0.00 0.00 0.00 174.94 176.15 1d6t s VAL 84 N 2.65 4.73 0.31 2.92 -7.23 -1.21 0.22 120.40 122.80 1d6t s VAL 84 Ca 0.14 0.28 0.08 0.00 -1.81 0.00 0.00 61.98 60.67 1d6t s VAL 84 Cb -0.14 -4.27 -0.04 0.00 0.56 0.00 0.00 36.38 32.49 1d6t s VAL 84 CO -0.21 -0.66 0.15 -0.63 -0.31 0.00 0.00 175.10 173.44 1d6t s ILE 85 N 3.07 3.44 -0.32 -0.62 1.09 0.47 -2.58 121.20 125.75 1d6t s ILE 85 Ca 0.26 -1.63 -0.01 0.00 -1.10 0.00 0.00 60.65 58.18 1d6t s ILE 85 Cb -0.13 -3.06 0.07 0.00 -1.06 0.00 0.00 42.46 38.28 1d6t s ILE 85 CO 0.21 -0.25 0.03 0.00 -0.10 0.00 0.00 174.94 174.83 1d6t s ALA 86 N -2.33 2.86 0.70 9.38 0.00 -1.03 -0.99 121.76 130.34 1d6t s ALA 86 Ca 0.36 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1d6t s ALA 86 Cb -0.05 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1d6t s ALA 86 CO 0.23 -1.40 0.00 0.54 0.00 0.00 0.00 175.76 175.13 1d6t n ARG 87 N 4.56 0.61 0.09 0.00 1.74 -1.25 -2.11 116.66 120.30 1d6t n ARG 87 Ca -0.10 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.76 1d6t n ARG 87 Cb 0.43 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.73 1d6t n ARG 87 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1d6t h GLN 88 N 0.00 0.54 0.00 5.56 3.07 -1.96 -3.16 115.11 119.16 1d6t h GLN 88 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 58.65 57.95 1d6t h GLN 88 Cb 0.00 0.27 0.00 0.00 0.08 0.00 0.00 27.48 27.83 1d6t h GLN 88 CO 0.00 1.36 0.00 -0.35 0.09 0.00 0.00 178.83 179.93 1d6t n PRO 89 N -3.86 0.74 0.05 0.06 -0.04 -1.26 -2.79 135.00 127.90 1d6t n PRO 89 Ca -0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1d6t n PRO 89 Cb 0.97 -1.26 0.44 0.00 -0.04 0.00 0.00 33.50 33.61 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 -0.76 1.92 0.05 0.55 0.00 -1.19 -2.43 120.51 118.64 1d6t n ALA 90 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1d6t n ALA 90 Cb 0.04 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.18 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 0.00 0.38 -0.00 0.00 2.10 -1.75 -2.38 116.57 114.91 1d6t h LYS 91 Ca 0.00 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1d6t h LYS 91 Cb 0.41 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1d6t h LYS 91 CO 0.00 0.92 0.00 -0.25 -2.00 0.00 0.00 179.45 178.12 1d6t n ASP 92 N -3.86 0.06 -4.58 7.07 8.00 -1.02 -4.73 116.55 117.50 1d6t n ASP 92 Ca -0.04 -1.30 -0.34 0.00 0.71 0.00 0.00 54.79 53.82 1d6t n ASP 92 Cb 0.68 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.99 3.76 0.12 -1.24 1.75 -0.90 -5.10 119.30 115.70 1d6t s MET 93 Ca 0.34 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.37 1d6t s MET 93 Cb 0.16 -3.05 -0.04 0.00 2.84 0.00 0.00 34.83 34.74 1d6t s MET 93 CO 0.26 0.30 0.26 0.95 -0.65 0.00 0.00 175.02 176.15 1d6t s THR 94 N 0.24 5.34 0.62 10.11 -4.23 -1.26 -4.95 115.64 121.52 1d6t s THR 94 Ca 0.01 -0.59 0.24 0.00 -1.18 0.00 0.00 61.69 60.17 1d6t s THR 94 Cb -0.13 -3.71 0.31 0.00 1.34 0.00 0.00 72.50 70.31 1d6t s THR 94 CO 0.02 -0.02 1.55 0.74 -0.54 0.00 0.00 174.62 176.36 1d6t h THR 95 N 1.77 0.11 -0.43 3.99 2.02 -1.97 1.55 112.91 119.95 1d6t h THR 95 Ca -0.47 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 1d6t h THR 95 Cb 1.18 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1d6t h THR 95 CO 0.71 0.00 -0.18 0.25 0.37 0.00 0.00 175.52 176.67 1d6t h LEU 96 N 0.00 0.91 0.00 2.58 7.12 -1.96 -2.56 115.31 121.40 1d6t h LEU 96 Ca 0.24 -0.39 0.00 0.00 0.13 0.00 0.00 57.88 57.86 1d6t h LEU 96 Cb 1.84 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.72 1d6t h LEU 96 CO -0.00 1.10 -0.03 1.56 -0.13 0.00 0.00 178.44 180.94 1d6t h GLN 97 N 0.72 0.00 0.50 1.25 4.20 0.18 -3.25 115.11 118.70 1d6t h GLN 97 Ca 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1d6t h GLN 97 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1d6t h GLN 97 CO 0.06 0.00 -0.24 0.82 -0.67 0.00 0.00 178.83 178.80 1d6t h ILE 98 N 0.00 0.41 -0.09 2.54 2.04 -0.76 1.10 117.51 122.75 1d6t h ILE 98 Ca 0.00 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1d6t h ILE 98 Cb 0.82 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1d6t h ILE 98 CO 0.00 0.05 0.09 1.56 0.00 0.00 0.00 178.15 179.86 1d6t h GLN 99 N -0.93 0.00 0.00 2.37 4.20 -1.59 1.09 115.11 120.24 1d6t h GLN 99 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1d6t h GLN 99 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1d6t h GLN 99 CO 0.11 0.00 -0.86 0.09 -0.67 0.00 0.00 178.83 177.50 1d6t n ASN 100 N -3.91 0.72 -0.06 1.46 3.02 -1.03 -3.79 115.26 111.67 1d6t n ASN 100 Ca -0.01 0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.43 1d6t n ASN 100 Cb 0.19 0.43 -0.12 0.00 -0.61 0.00 0.00 39.78 39.66 1d6t n ASN 100 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1d6t h SER 101 N 0.00 0.15 -0.39 6.41 0.02 0.59 -3.34 113.55 116.98 1d6t h SER 101 Ca 0.00 -0.66 0.11 0.00 -0.84 0.00 0.00 61.79 60.40 1d6t h SER 101 Cb 0.83 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1d6t h SER 101 CO 0.00 1.61 0.42 -0.07 -1.14 0.00 0.00 176.83 177.65 1d6t h LEU 102 N -0.64 0.00 0.00 5.07 3.38 0.79 1.44 115.31 125.35 1d6t h LEU 102 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1d6t h LEU 102 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1d6t h LEU 102 CO -0.11 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.80 1d6t n GLU 103 N -3.75 0.69 0.00 1.13 1.02 -1.25 -2.74 120.64 115.75 1d6t n GLU 103 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1d6t n GLU 103 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.00 0.00 -0.35 -0.32 -0.00 0.48 -4.37 115.22 109.66 1d6t n HIS 104 Ca 0.17 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.36 1d6t n HIS 104 Cb 0.08 0.09 0.07 0.00 -0.12 0.00 0.00 29.99 30.10 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 -1.72 -0.46 -0.11 3.57 3.14 -0.14 0.14 118.33 122.75 1d6t n VAL 105 Ca 0.00 2.18 -0.12 0.00 -2.96 0.00 0.00 64.34 63.45 1d6t n VAL 105 Cb 0.00 -2.93 -0.03 0.00 -1.06 0.00 0.00 33.84 29.82 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 0.68 -2.08 6.55 8.10 -1.69 -1.85 115.31 125.01 1d6t h LEU 106 Ca 0.37 -0.38 0.03 0.00 0.11 0.00 0.00 57.88 58.01 1d6t h LEU 106 Cb 0.60 -0.19 -0.00 0.00 -0.44 0.00 0.00 40.66 40.63 1d6t h LEU 106 CO -0.94 0.90 0.33 0.50 -4.11 0.00 0.00 178.44 175.11 1d6t h LYS 107 N 0.44 0.00 0.06 0.17 3.11 0.13 0.67 116.57 121.15 1d6t h LYS 107 Ca 0.08 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.61 1d6t h LYS 107 Cb 0.62 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.82 1d6t h LYS 107 CO 0.04 0.00 -1.70 0.82 -2.81 0.00 0.00 179.45 175.80 1d6t h ILE 108 N 0.00 0.91 -0.87 2.00 2.04 0.87 -3.33 117.51 119.12 1d6t h ILE 108 Ca 0.06 -2.67 0.12 0.00 1.00 0.00 0.00 64.86 63.36 1d6t h ILE 108 Cb 0.71 2.54 -0.07 0.00 -0.74 0.00 0.00 36.82 39.26 1d6t h ILE 108 CO -0.00 0.69 0.56 0.00 0.00 0.00 0.00 178.15 179.41 1d6t h ALA 109 N 0.65 1.74 0.00 1.87 0.00 0.11 -3.46 119.26 120.17 1d6t h ALA 109 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1d6t h ALA 109 Cb 2.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1d6t h ALA 109 CO 0.10 0.06 0.00 1.17 0.00 0.00 0.00 179.25 180.58 1d6t n LYS 110 N -4.54 0.00 -1.06 0.00 4.81 -0.89 -4.91 118.16 111.58 1d6t n LYS 110 Ca 0.16 0.14 -0.20 0.00 -0.87 0.00 0.00 58.31 57.53 1d6t n LYS 110 Cb 0.38 -1.16 0.16 0.00 0.02 0.00 0.00 35.03 34.43 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 -2.30 2.90 -3.81 3.15 0.24 -1.25 -4.81 118.33 112.46 1d6t n VAL 111 Ca 0.00 -1.65 -0.27 0.00 -2.04 0.00 0.00 64.34 60.37 1d6t n VAL 111 Cb 0.00 -0.54 -0.17 0.00 -1.47 0.00 0.00 33.84 31.66 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 -2.85 1.33 0.14 6.34 0.08 -1.26 -3.79 117.98 117.97 1d6t s PHE 112 Ca 0.49 -0.91 -0.24 0.00 0.12 0.00 0.00 56.93 56.40 1d6t s PHE 112 Cb 0.41 -1.14 -0.01 0.00 -0.57 0.00 0.00 43.02 41.72 1d6t s PHE 112 CO 0.10 -0.58 1.63 -2.95 -0.10 0.00 0.00 175.22 173.31 1d6t h ASN 113 N 8.19 -0.79 0.00 1.36 -1.07 -1.82 -3.39 115.58 118.06 1d6t h ASN 113 Ca -0.20 0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.30 1d6t h ASN 113 Cb 1.11 0.35 0.00 0.00 -2.07 0.00 0.00 38.32 37.71 1d6t h ASN 113 CO 0.35 -0.30 -0.45 1.17 0.07 0.00 0.00 177.43 178.28 1d6t n LYS 114 N -5.38 0.52 -1.93 4.14 4.81 -1.26 -5.11 118.16 113.95 1d6t n LYS 114 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1d6t n LYS 114 Cb 0.29 -0.72 -0.00 0.00 0.02 0.00 0.00 35.03 34.62 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 -1.72 -1.26 -1.69 1.64 0.00 -1.26 -4.94 118.16 108.92 1d6t n LYS 115 Ca 0.00 1.33 -0.40 0.00 0.00 0.00 0.00 58.31 59.24 1d6t n LYS 115 Cb 0.22 -2.55 0.02 0.00 0.00 0.00 0.00 35.03 32.72 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 0.27 2.91 0.47 3.15 5.41 -1.26 -5.18 119.36 125.13 1d6t n ILE 116 Ca -0.01 -0.50 0.06 0.00 1.00 0.00 0.00 62.75 63.30 1d6t n ILE 116 Cb 0.01 -1.50 0.05 0.00 -0.71 0.00 0.00 39.64 37.49 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72