#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 -4.76 117.00 119.78 1d6t n LEU 2 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1d6t n LEU 2 Cb 0.00 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1d6t n LEU 2 CO 0.00 -0.85 0.00 -0.11 -1.33 0.00 0.00 177.39 175.10 1d6t n LEU 3 N 0.00 0.00 0.00 2.23 0.00 -1.26 -5.09 117.00 112.88 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.52 1d6t n LEU 3 CO 0.00 -0.69 0.00 -0.62 0.00 0.00 0.00 177.39 176.08 1d6t n GLU 4 N -0.73 0.00 0.00 1.96 -0.58 -1.26 -4.90 120.64 115.12 1d6t n GLU 4 Ca 0.00 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 1d6t n GLU 4 Cb 0.00 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.25 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 0.25 -1.24 3.49 2.85 -1.26 -4.80 118.16 117.44 1d6t n LYS 5 Ca 0.00 0.13 -0.08 0.00 -1.05 0.00 0.00 58.31 57.30 1d6t n LYS 5 Cb 0.00 -1.50 -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 n ALA 6 N -1.25 -0.13 -1.55 0.58 0.00 -1.26 -2.41 120.51 114.49 1d6t n ALA 6 Ca 0.08 0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.46 1d6t n ALA 6 Cb 0.11 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.74 -0.02 -2.54 0.00 4.01 -1.26 -4.74 117.16 109.88 1d6t n TYR 7 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.23 1d6t n TYR 7 Cb 0.28 -3.34 -0.02 0.00 -0.31 0.00 0.00 39.34 35.95 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 -3.62 3.77 -0.61 -0.72 0.52 -1.01 0.20 118.95 117.49 1d6t s ARG 8 Ca 0.00 0.81 -0.22 0.00 -0.52 0.00 0.00 55.73 55.80 1d6t s ARG 8 Cb 0.00 -3.90 0.07 0.00 0.52 0.00 0.00 34.95 31.64 1d6t s ARG 8 CO 0.00 -1.31 0.88 0.42 0.02 0.00 0.00 175.30 175.31 1d6t s ILE 9 N 4.51 4.47 -2.08 1.52 1.01 -1.02 -4.81 121.20 124.80 1d6t s ILE 9 Ca 0.51 -0.34 0.19 0.00 0.00 0.00 0.00 60.65 61.01 1d6t s ILE 9 Cb -0.10 -4.58 0.33 0.00 0.01 0.00 0.00 42.46 38.12 1d6t s ILE 9 CO 0.28 -1.26 1.27 1.17 0.00 0.00 0.00 174.94 176.40 1d6t n LYS 10 N 7.27 2.21 -4.29 2.79 3.00 -1.26 -4.92 118.16 122.96 1d6t n LYS 10 Ca -0.04 -2.04 -0.25 0.00 -0.00 0.00 0.00 58.31 55.98 1d6t n LYS 10 Cb 0.45 -1.42 -0.09 0.00 0.00 0.00 0.00 35.03 33.98 1d6t n LYS 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1d6t s LYS 11 N -1.35 2.14 -0.13 1.64 -0.14 -1.26 -5.05 119.74 115.60 1d6t s LYS 11 Ca 0.31 -1.33 -0.23 0.00 -1.36 0.00 0.00 55.97 53.36 1d6t s LYS 11 Cb 0.19 -2.16 -0.26 0.00 -1.68 0.00 0.00 37.83 33.92 1d6t s LYS 11 CO 0.26 0.41 0.62 -0.97 -0.76 0.00 0.00 175.35 174.91 1d6t h ASN 12 N 2.53 0.18 -0.80 2.83 -0.73 -1.99 -3.32 115.58 114.27 1d6t h ASN 12 Ca -0.46 -0.85 0.19 0.00 1.87 0.00 0.00 56.30 57.05 1d6t h ASN 12 Cb 1.22 -0.06 -0.12 0.00 0.27 0.00 0.00 38.32 39.63 1d6t h ASN 12 CO 0.57 1.33 0.19 0.00 -0.37 0.00 0.00 177.43 179.14 1d6t h ALA 13 N -0.10 1.07 -0.66 1.57 0.00 -1.96 1.72 119.26 120.89 1d6t h ALA 13 Ca -0.18 0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1d6t h ALA 13 Cb 1.37 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1d6t h ALA 13 CO -0.00 -0.39 0.46 -0.44 0.00 0.00 0.00 179.25 178.87 1d6t h ASP 14 N 0.24 0.23 0.20 0.00 5.19 -1.99 1.76 116.42 122.05 1d6t h ASP 14 Ca 0.47 0.01 -0.35 0.00 -0.62 0.00 0.00 57.03 56.54 1d6t h ASP 14 Cb 0.86 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 1d6t h ASP 14 CO -0.58 0.12 -1.82 -0.26 -3.12 0.00 0.00 179.24 173.58 1d6t h PHE 15 N 0.24 0.60 -0.42 4.55 -1.00 0.19 -3.35 116.94 117.76 1d6t h PHE 15 Ca 0.32 -0.44 -0.14 0.00 2.81 0.00 0.00 57.97 60.53 1d6t h PHE 15 Cb 0.92 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 1d6t h PHE 15 CO -0.00 1.67 -0.27 1.96 -1.61 0.00 0.00 178.31 180.06 1d6t h GLN 16 N 0.09 0.91 -0.32 1.51 4.20 0.24 -2.50 115.11 119.23 1d6t h GLN 16 Ca -0.36 -0.41 0.09 0.00 0.06 0.00 0.00 58.65 58.03 1d6t h GLN 16 Cb 2.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.82 1d6t h GLN 16 CO 0.15 1.06 0.32 0.00 -0.67 0.00 0.00 178.83 179.69 1d6t h ARG 17 N 0.77 0.00 0.02 1.46 -0.00 0.25 0.36 114.38 117.24 1d6t h ARG 17 Ca 0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.57 1d6t h ARG 17 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.81 1d6t h ARG 17 CO 0.07 0.00 -0.01 0.82 0.00 0.00 0.00 179.97 180.85 1d6t h ILE 18 N 0.00 0.19 0.00 2.04 1.08 -1.58 -3.28 117.51 115.96 1d6t h ILE 18 Ca 0.15 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1d6t h ILE 18 Cb 0.79 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1d6t h ILE 18 CO -0.00 0.06 0.06 -1.22 -0.69 0.00 0.00 178.15 176.36 1d6t n TYR 19 N -4.78 0.68 0.00 1.37 4.02 -0.82 0.56 117.16 118.19 1d6t n TYR 19 Ca -0.01 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 1d6t n TYR 19 Cb 0.06 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.35 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 -2.22 0.00 -0.14 -0.72 4.81 0.12 -4.29 118.16 115.73 1d6t n LYS 20 Ca -0.01 0.42 0.02 0.00 -0.87 0.00 0.00 58.31 57.87 1d6t n LYS 20 Cb 0.09 -1.16 0.03 0.00 0.02 0.00 0.00 35.03 34.02 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 -1.32 1.09 -0.42 1.64 4.76 -1.19 -5.08 118.16 117.64 1d6t n LYS 21 Ca 0.00 -1.37 -0.30 0.00 -2.87 0.00 0.00 58.31 53.77 1d6t n LYS 21 Cb 0.00 -0.87 0.28 0.00 -1.84 0.00 0.00 35.03 32.60 1d6t n LYS 21 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1d6t s GLY 22 N -1.17 1.45 -0.28 0.72 0.00 0.19 -4.89 107.32 103.33 1d6t s GLY 22 Ca 0.07 -0.62 -0.00 0.00 0.00 0.00 0.00 44.72 44.17 1d6t s GLY 22 CO 0.01 0.31 0.05 -1.58 0.00 0.00 0.00 173.10 171.89 1d6t s HIS 23 N -2.32 1.96 -0.06 1.90 2.46 0.47 -4.94 115.29 114.76 1d6t s HIS 23 Ca 0.69 -1.73 -0.13 0.00 0.47 0.00 0.00 55.06 54.35 1d6t s HIS 23 Cb -0.17 -1.71 -0.05 0.00 -0.13 0.00 0.00 32.58 30.52 1d6t s HIS 23 CO 0.60 -0.82 0.34 -1.54 -2.47 0.00 0.00 174.74 170.85 1d6t s SER 24 N 1.53 6.65 -0.14 9.88 1.04 -1.26 -2.02 113.70 129.39 1d6t s SER 24 Ca 0.05 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1d6t s SER 24 Cb -0.18 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 1d6t s SER 24 CO -0.17 0.28 -0.14 0.68 0.98 0.00 0.00 173.24 174.88 1d6t s VAL 25 N -0.67 2.93 -0.05 5.02 -7.23 0.11 -4.94 120.40 115.57 1d6t s VAL 25 Ca 0.21 -0.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.72 1d6t s VAL 25 Cb -0.15 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1d6t s VAL 25 CO 0.09 0.52 -0.18 0.00 -0.31 0.00 0.00 175.10 175.22 1d6t s ALA 26 N 0.48 2.48 0.00 1.32 0.00 -1.26 -0.54 121.76 124.25 1d6t s ALA 26 Ca -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1d6t s ALA 26 Cb -0.16 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1d6t s ALA 26 CO 0.04 0.51 0.00 -1.71 0.00 0.00 0.00 175.76 174.61 1d6t n ASN 27 N 2.50 0.00 0.00 0.00 5.15 0.13 -4.97 115.26 118.08 1d6t n ASN 27 Ca -0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1d6t n ASN 27 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1d6t n ASN 27 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1d6t n ARG 28 N 0.00 0.00 -1.49 1.20 5.12 -1.26 -3.91 116.66 116.32 1d6t n ARG 28 Ca 0.00 0.42 0.04 0.00 -1.93 0.00 0.00 57.85 56.38 1d6t n ARG 28 Cb 0.00 -0.76 0.02 0.00 -1.16 0.00 0.00 32.46 30.56 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 -1.29 0.05 -4.35 5.56 -0.00 -1.26 -4.95 117.38 111.14 1d6t n GLN 29 Ca 0.00 -2.04 -0.22 0.00 -0.00 0.00 0.00 57.00 54.74 1d6t n GLN 29 Cb 0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 30.24 30.06 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 -0.11 1.53 -0.19 2.61 5.36 -1.25 -1.92 117.98 124.01 1d6t s PHE 30 Ca 0.34 -0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 55.87 1d6t s PHE 30 Cb 0.39 -0.87 0.06 0.00 -0.34 0.00 0.00 43.02 42.26 1d6t s PHE 30 CO -0.17 0.11 0.06 0.54 -1.46 0.00 0.00 175.22 174.31 1d6t s VAL 31 N -1.04 0.25 -0.19 3.12 0.11 0.52 0.20 120.40 123.37 1d6t s VAL 31 Ca 0.04 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1d6t s VAL 31 Cb -0.09 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1d6t s VAL 31 CO 0.03 -0.28 0.03 0.68 -3.33 0.00 0.00 175.10 172.22 1d6t s VAL 32 N 1.98 4.29 -0.08 2.04 -7.23 0.30 0.38 120.40 122.08 1d6t s VAL 32 Ca 0.01 -0.20 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 1d6t s VAL 32 Cb -0.17 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 1d6t s VAL 32 CO -0.10 0.43 0.40 -0.31 -0.31 0.00 0.00 175.10 175.21 1d6t s TYR 33 N 0.77 3.60 -0.09 2.82 1.51 0.40 0.05 117.35 126.40 1d6t s TYR 33 Ca 0.02 0.86 -0.25 0.00 -1.01 0.00 0.00 57.07 56.69 1d6t s TYR 33 Cb -0.14 -2.38 0.06 0.00 -0.11 0.00 0.00 41.96 39.39 1d6t s TYR 33 CO 0.02 0.40 0.58 0.95 -1.11 0.00 0.00 175.55 176.39 1d6t s THR 34 N -0.17 0.01 0.18 -0.71 -4.23 -0.86 -1.12 115.64 108.75 1d6t s THR 34 Ca 0.23 -0.10 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1d6t s THR 34 Cb -0.15 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 1d6t s THR 34 CO 0.10 -0.06 0.10 0.00 -0.54 0.00 0.00 174.62 174.22 1d6t s ASN 36 N -3.16 4.88 0.00 0.00 3.84 -1.26 -4.78 114.94 114.45 1d6t s ASN 36 Ca 0.30 -2.85 0.00 0.00 0.21 0.00 0.00 52.86 50.53 1d6t s ASN 36 Cb -0.09 -1.77 0.00 0.00 -0.55 0.00 0.00 41.25 38.84 1d6t s ASN 36 CO 0.22 -0.33 0.00 -0.46 -2.79 0.00 0.00 177.10 173.74 1d6t n ASN 37 N 3.43 0.00 -4.51 -4.21 6.94 -1.26 -5.08 115.26 110.57 1d6t n ASN 37 Ca 0.06 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.20 1d6t n ASN 37 Cb 0.36 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.75 1d6t n ASN 37 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1d6t s LYS 38 N -2.00 3.20 -0.02 -3.83 2.20 -1.26 -4.74 119.74 113.29 1d6t s LYS 38 Ca 0.00 -0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 1d6t s LYS 38 Cb 0.00 -4.17 -0.02 0.00 -1.51 0.00 0.00 37.83 32.13 1d6t s LYS 38 CO 0.00 -1.90 -0.07 -1.91 -0.36 0.00 0.00 175.35 171.10 1d6t n GLU 39 N 8.43 0.12 -4.26 4.03 2.13 -1.26 -5.11 120.64 124.72 1d6t n GLU 39 Ca 0.01 0.05 -0.17 0.00 0.66 0.00 0.00 57.16 57.71 1d6t n GLU 39 Cb 0.47 -0.70 -0.09 0.00 0.27 0.00 0.00 31.44 31.39 1d6t n GLU 39 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1d6t s ILE 40 N -2.13 0.04 -0.10 6.31 2.07 -1.26 -5.05 121.20 121.07 1d6t s ILE 40 Ca -0.07 -2.00 0.10 0.00 -1.41 0.00 0.00 60.65 57.27 1d6t s ILE 40 Cb 0.02 -2.50 0.17 0.00 0.13 0.00 0.00 42.46 40.28 1d6t s ILE 40 CO 0.10 0.00 1.10 0.47 -1.91 0.00 0.00 174.94 174.69 1d6t n ASP 41 N -1.00 2.28 -3.68 4.50 8.00 -1.26 -4.09 116.55 121.30 1d6t n ASP 41 Ca 0.05 -2.55 -0.22 0.00 0.71 0.00 0.00 54.79 52.78 1d6t n ASP 41 Cb 0.64 -0.23 -0.18 0.00 -0.02 0.00 0.00 41.12 41.33 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1d6t s HIS 42 N -1.95 0.23 -0.63 1.24 3.76 -1.26 -4.48 115.29 112.20 1d6t s HIS 42 Ca 0.18 0.02 -0.26 0.00 -0.15 0.00 0.00 55.06 54.85 1d6t s HIS 42 Cb 0.15 -0.60 -0.07 0.00 1.11 0.00 0.00 32.58 33.17 1d6t s HIS 42 CO 0.02 -0.30 2.20 -0.59 -0.85 0.00 0.00 174.74 175.22 1d6t s PHE 43 N 2.12 1.34 0.05 1.40 -0.71 -1.26 -4.31 117.98 116.61 1d6t s PHE 43 Ca 0.04 1.31 -0.31 0.00 -1.04 0.00 0.00 56.93 56.94 1d6t s PHE 43 Cb -0.13 -3.75 -0.06 0.00 -1.21 0.00 0.00 43.02 37.86 1d6t s PHE 43 CO -0.05 -2.20 1.33 -0.98 -1.34 0.00 0.00 175.22 171.98 1d6t s ARG 44 N 7.88 4.34 -0.20 1.99 3.03 -1.26 -4.66 118.95 130.08 1d6t s ARG 44 Ca 0.85 1.93 -0.09 0.00 2.03 0.00 0.00 55.73 60.45 1d6t s ARG 44 Cb -0.14 -3.40 -0.04 0.00 -1.03 0.00 0.00 34.95 30.34 1d6t s ARG 44 CO 0.18 -0.43 0.10 -0.51 -1.13 0.00 0.00 175.30 173.51 1d6t s LEU 45 N 1.56 3.97 -0.06 -1.89 1.43 0.54 -2.71 118.68 121.52 1d6t s LEU 45 Ca 0.62 0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1d6t s LEU 45 Cb -0.32 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1d6t s LEU 45 CO 0.28 0.15 -0.13 0.61 0.23 0.00 0.00 176.35 177.49 1d6t n GLY 46 N 3.70 -0.20 1.29 -3.19 0.00 -1.24 -2.43 105.19 103.12 1d6t n GLY 46 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1d6t n GLY 46 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1d6t n ILE 47 N -3.65 -4.30 -3.82 -0.61 5.41 -1.26 -4.90 119.36 106.23 1d6t n ILE 47 Ca -0.14 1.83 -0.09 0.00 1.00 0.00 0.00 62.75 65.35 1d6t n ILE 47 Cb 0.45 -2.70 -0.07 0.00 -0.71 0.00 0.00 39.64 36.61 1d6t n ILE 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1d6t s SER 48 N -1.69 0.02 0.08 4.38 0.01 -0.84 -4.96 113.70 110.70 1d6t s SER 48 Ca 0.00 -0.61 -0.27 0.00 1.31 0.00 0.00 55.95 56.39 1d6t s SER 48 Cb 0.00 0.39 0.08 0.00 0.21 0.00 0.00 66.02 66.70 1d6t s SER 48 CO 0.00 -0.79 0.93 -0.69 0.41 0.00 0.00 173.24 173.11 1d6t s VAL 49 N -3.86 0.00 0.51 3.43 1.01 -1.26 -2.84 120.40 117.38 1d6t s VAL 49 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1d6t s VAL 49 Cb 0.04 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1d6t s VAL 49 CO -0.09 0.00 0.74 -0.44 0.00 0.00 0.00 175.10 175.31 1d6t s SER 50 N -2.73 5.60 0.05 3.32 0.01 -1.26 -4.93 113.70 113.76 1d6t s SER 50 Ca 0.09 0.25 0.23 0.00 1.31 0.00 0.00 55.95 57.83 1d6t s SER 50 Cb -0.01 -1.34 0.17 0.00 0.21 0.00 0.00 66.02 65.05 1d6t s SER 50 CO -0.03 -0.91 1.14 0.29 0.41 0.00 0.00 173.24 174.15 1d6t n LYS 51 N -2.25 0.21 -0.00 12.44 5.02 -1.26 -0.63 118.16 131.69 1d6t n LYS 51 Ca 0.04 0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.40 1d6t n LYS 51 Cb 0.58 -1.58 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.86 1.71 -0.00 1.97 0.00 -1.26 -4.38 118.16 114.35 1d6t n LYS 52 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 58.31 58.31 1d6t n LYS 52 Cb 0.41 -1.20 -0.04 0.00 0.00 0.00 0.00 35.03 34.20 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1d6t n LEU 53 N -1.60 0.21 -1.92 3.14 -0.00 -1.25 -4.56 117.00 111.02 1d6t n LEU 53 Ca 0.00 -0.38 -0.23 0.00 -0.00 0.00 0.00 56.01 55.41 1d6t n LEU 53 Cb 0.26 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.79 1d6t n LEU 53 CO 0.27 0.05 0.85 0.61 -0.00 0.00 0.00 177.39 179.17 1d6t n GLY 54 N 1.39 5.67 3.05 -3.96 0.00 0.20 -4.30 105.19 107.23 1d6t n GLY 54 Ca 0.01 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.93 -3.53 -0.12 1.61 5.15 -1.26 -2.31 115.26 113.87 1d6t n ASN 55 Ca 0.49 0.03 0.18 0.00 -0.60 0.00 0.00 54.58 54.69 1d6t n ASN 55 Cb 0.95 -0.63 0.58 0.00 -0.53 0.00 0.00 39.78 40.15 1d6t n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1d6t h ALA 56 N -1.15 2.30 0.06 5.20 0.00 -1.95 4.39 119.26 128.11 1d6t h ALA 56 Ca -0.42 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 1d6t h ALA 56 Cb 1.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1d6t h ALA 56 CO 0.24 -0.50 -1.57 -0.24 0.00 0.00 0.00 179.25 177.18 1d6t h VAL 57 N 0.25 1.07 -0.02 0.00 3.04 -1.98 -3.20 116.25 115.41 1d6t h VAL 57 Ca 0.35 -2.80 -0.12 0.00 -1.01 0.00 0.00 66.70 63.11 1d6t h VAL 57 Cb 0.99 2.62 0.01 0.00 -2.01 0.00 0.00 31.29 32.90 1d6t h VAL 57 CO -0.08 0.73 -0.46 -0.07 -1.01 0.00 0.00 177.57 176.68 1d6t h LEU 58 N 0.03 0.43 0.00 3.16 3.38 -0.88 -2.68 115.31 118.75 1d6t h LEU 58 Ca -0.24 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 56.98 1d6t h LEU 58 Cb 1.98 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1d6t h LEU 58 CO 0.12 1.12 0.00 0.54 0.09 0.00 0.00 178.44 180.31 1d6t n ARG 59 N -4.33 0.26 -0.01 1.13 1.74 1.42 0.83 116.66 117.70 1d6t n ARG 59 Ca -0.10 0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1d6t n ARG 59 Cb 0.60 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.15 0.89 -0.01 0.55 3.02 -1.12 -3.07 115.26 114.37 1d6t n ASN 60 Ca 0.07 -0.20 0.07 0.00 -0.03 0.00 0.00 54.58 54.49 1d6t n ASN 60 Cb 0.07 1.64 -0.11 0.00 -0.61 0.00 0.00 39.78 40.77 1d6t n ASN 60 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1d6t n LYS 61 N -1.97 0.65 -0.05 3.52 4.81 0.10 -3.51 118.16 121.71 1d6t n LYS 61 Ca -0.02 -0.12 -0.17 0.00 -0.87 0.00 0.00 58.31 57.13 1d6t n LYS 61 Cb 0.42 -1.33 -0.14 0.00 0.02 0.00 0.00 35.03 34.01 1d6t n LYS 61 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1d6t n ILE 62 N -1.93 1.63 0.03 3.15 5.41 0.24 -3.11 119.36 124.78 1d6t n ILE 62 Ca -0.02 -0.68 -0.19 0.00 1.00 0.00 0.00 62.75 62.86 1d6t n ILE 62 Cb 0.36 -1.40 -0.11 0.00 -0.71 0.00 0.00 39.64 37.79 1d6t n ILE 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1d6t h LYS 63 N 0.03 0.57 -0.42 0.38 5.09 -1.71 -2.73 116.57 117.78 1d6t h LYS 63 Ca -0.46 -0.64 -0.03 0.00 0.09 0.00 0.00 60.65 59.61 1d6t h LYS 63 Cb 2.02 0.19 -0.02 0.00 0.10 0.00 0.00 32.23 34.51 1d6t h LYS 63 CO 0.03 1.25 0.13 0.07 -2.09 0.00 0.00 179.45 178.84 1d6t h ARG 64 N 0.17 0.66 0.00 0.07 0.11 -1.75 0.46 114.38 114.10 1d6t h ARG 64 Ca -0.12 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.82 1d6t h ARG 64 Cb 1.57 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.56 1d6t h ARG 64 CO 0.17 0.65 0.00 0.00 0.10 0.00 0.00 179.97 180.89 1d6t n ALA 65 N -2.34 1.61 -0.10 0.08 0.00 -1.18 -0.13 120.51 118.46 1d6t n ALA 65 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1d6t n ALA 65 Cb 0.18 -1.21 -0.16 0.00 0.00 0.00 0.00 19.45 18.27 1d6t n ALA 65 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1d6t n ILE 66 N -1.48 1.37 1.30 0.00 5.41 -0.38 -3.40 119.36 122.19 1d6t n ILE 66 Ca 0.03 -0.85 0.13 0.00 1.00 0.00 0.00 62.75 63.06 1d6t n ILE 66 Cb 0.15 -0.46 0.36 0.00 -0.71 0.00 0.00 39.64 38.98 1d6t n ILE 66 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1d6t n ARG 67 N -2.74 1.70 0.00 0.38 1.85 0.15 -3.38 116.66 114.62 1d6t n ARG 67 Ca -0.32 -1.16 0.01 0.00 -1.00 0.00 0.00 57.85 55.38 1d6t n ARG 67 Cb 1.15 -1.48 0.01 0.00 -1.05 0.00 0.00 32.46 31.09 1d6t n ARG 67 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1d6t n GLU 68 N 0.36 -0.05 -0.01 2.89 -0.00 0.82 -4.24 120.64 120.42 1d6t n GLU 68 Ca 0.16 -0.60 0.02 0.00 -0.00 0.00 0.00 57.16 56.74 1d6t n GLU 68 Cb 0.43 -1.01 0.02 0.00 -0.00 0.00 0.00 31.44 30.88 1d6t n GLU 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1d6t n ASN 69 N 0.05 1.51 -0.06 -1.84 2.85 -1.22 -4.47 115.26 112.08 1d6t n ASN 69 Ca 0.01 -1.31 -0.09 0.00 -0.11 0.00 0.00 54.58 53.09 1d6t n ASN 69 Cb 0.06 -0.01 -0.06 0.00 1.24 0.00 0.00 39.78 41.01 1d6t n ASN 69 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1d6t n PHE 70 N 0.18 0.00 1.08 1.20 3.72 -1.22 -3.24 117.46 119.18 1d6t n PHE 70 Ca 0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 1d6t n PHE 70 Cb 0.14 -0.50 0.56 0.00 -0.94 0.00 0.00 39.48 38.74 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 -2.85 0.37 -0.05 -1.08 2.85 -1.26 -0.69 118.16 115.45 1d6t n LYS 71 Ca -0.23 0.07 -0.08 0.00 -1.05 0.00 0.00 58.31 57.03 1d6t n LYS 71 Cb 0.75 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.59 1d6t n LYS 71 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1d6t n VAL 72 N -1.24 0.51 0.34 0.58 0.24 -1.26 -4.54 118.33 112.96 1d6t n VAL 72 Ca 0.11 -0.17 0.15 0.00 -2.04 0.00 0.00 64.34 62.39 1d6t n VAL 72 Cb 0.15 -1.11 0.56 0.00 -1.47 0.00 0.00 33.84 31.98 1d6t n VAL 72 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1d6t h HIS 73 N -0.12 0.00 -0.00 6.34 3.86 -1.52 -2.53 115.15 121.17 1d6t h HIS 73 Ca -0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1d6t h HIS 73 Cb 1.27 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.74 1d6t h HIS 73 CO -0.00 0.00 0.06 -0.22 0.86 0.00 0.00 177.93 178.62 1d6t h LYS 74 N 0.00 0.00 -1.27 2.45 3.64 -1.15 1.07 116.57 121.31 1d6t h LYS 74 Ca 0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1d6t h LYS 74 Cb 0.50 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.23 1d6t h LYS 74 CO 0.00 0.00 0.20 0.43 -2.27 0.00 0.00 179.45 177.81 1d6t n SER 75 N -3.07 4.23 0.00 4.20 7.64 -0.95 -3.75 113.62 121.92 1d6t n SER 75 Ca -0.03 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1d6t n SER 75 Cb 0.12 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1d6t n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d6t n HIS 76 N 0.34 0.00 -1.78 1.43 1.44 -0.25 -5.13 115.22 111.27 1d6t n HIS 76 Ca 0.17 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.46 1d6t n HIS 76 Cb 0.72 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.82 1d6t n HIS 76 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1d6t s ILE 77 N -0.05 2.02 0.47 0.61 1.10 0.35 -3.72 121.20 121.99 1d6t s ILE 77 Ca 0.00 0.02 0.05 0.00 -0.51 0.00 0.00 60.65 60.21 1d6t s ILE 77 Cb 0.00 -3.01 -0.02 0.00 0.15 0.00 0.00 42.46 39.58 1d6t s ILE 77 CO 0.00 0.00 0.16 -1.48 -2.11 0.00 0.00 174.94 171.52 1d6t s LEU 78 N -1.42 2.75 0.00 8.50 -0.00 -1.24 -4.89 118.68 122.39 1d6t s LEU 78 Ca 0.58 -1.32 0.00 0.00 -0.00 0.00 0.00 54.13 53.39 1d6t s LEU 78 Cb -0.47 -1.12 0.00 0.00 -0.00 0.00 0.00 46.19 44.60 1d6t s LEU 78 CO 0.57 -0.76 0.00 0.00 -0.00 0.00 0.00 176.35 176.16 1d6t n ALA 79 N -1.34 0.00 -0.10 1.48 0.00 -1.26 -4.25 120.51 115.03 1d6t n ALA 79 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1d6t n ALA 79 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.99 0.00 -1.57 0.00 5.02 -1.26 -4.57 118.16 114.79 1d6t n LYS 80 Ca 0.00 0.09 -0.61 0.00 -2.02 0.00 0.00 58.31 55.77 1d6t n LYS 80 Cb 0.00 -0.01 -0.09 0.00 -0.02 0.00 0.00 35.03 34.91 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 0.46 -3.91 4.39 5.68 -1.26 -4.39 116.55 117.51 1d6t n ASP 81 Ca 0.00 1.15 -0.14 0.00 -0.50 0.00 0.00 54.79 55.30 1d6t n ASP 81 Cb 0.00 -0.89 -0.14 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 1.14 0.23 -0.22 2.12 -1.16 -1.10 -3.49 121.20 118.72 1d6t s ILE 82 Ca 0.95 -0.11 -0.07 0.00 -0.51 0.00 0.00 60.65 60.91 1d6t s ILE 82 Cb -1.34 -0.21 0.10 0.00 0.61 0.00 0.00 42.46 41.63 1d6t s ILE 82 CO 0.66 0.07 0.46 -0.63 -2.81 0.00 0.00 174.94 172.69 1d6t s ILE 83 N 0.03 -0.71 -0.34 2.00 1.01 -0.27 -3.70 121.20 119.22 1d6t s ILE 83 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.64 1d6t s ILE 83 Cb -0.02 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 1d6t s ILE 83 CO -0.00 0.04 0.27 0.68 0.00 0.00 0.00 174.94 175.93 1d6t s VAL 84 N 2.66 5.26 0.14 2.92 -7.23 -1.26 0.15 120.40 123.04 1d6t s VAL 84 Ca -0.01 -0.18 0.11 0.00 -1.81 0.00 0.00 61.98 60.09 1d6t s VAL 84 Cb -0.12 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 1d6t s VAL 84 CO -0.14 -0.04 -0.26 -0.63 -0.31 0.00 0.00 175.10 173.71 1d6t s ILE 85 N 1.79 2.24 -0.49 -0.62 1.09 0.16 -1.99 121.20 123.38 1d6t s ILE 85 Ca 0.07 -1.80 -0.27 0.00 -1.10 0.00 0.00 60.65 57.55 1d6t s ILE 85 Cb -0.17 -2.00 0.03 0.00 -1.06 0.00 0.00 42.46 39.26 1d6t s ILE 85 CO 0.11 0.04 1.06 0.00 -0.10 0.00 0.00 174.94 176.05 1d6t s ALA 86 N -1.19 3.16 0.00 9.38 0.00 -1.13 -0.36 121.76 131.62 1d6t s ALA 86 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1d6t s ALA 86 Cb -0.10 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1d6t s ALA 86 CO 0.07 -2.26 0.59 -2.13 0.00 0.00 0.00 175.76 172.02 1d6t n ARG 87 N 7.69 0.00 0.00 0.00 3.00 -0.81 -4.67 116.66 121.87 1d6t n ARG 87 Ca 0.09 0.59 0.00 0.00 -0.00 0.00 0.00 57.85 58.53 1d6t n ARG 87 Cb 0.49 -0.88 0.00 0.00 0.00 0.00 0.00 32.46 32.06 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 -2.58 0.00 0.00 -0.14 1.13 -1.26 -4.94 117.38 109.59 1d6t n GLN 88 Ca 0.00 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.09 1d6t n GLN 88 Cb 0.00 0.00 0.20 0.00 0.11 0.00 0.00 30.24 30.55 1d6t n GLN 88 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1d6t n PRO 89 N 0.00 0.75 -0.33 -1.09 -0.04 -1.26 -3.08 135.00 129.95 1d6t n PRO 89 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1d6t n PRO 89 Cb 0.00 -1.14 0.15 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.64 3.01 1.36 0.55 0.00 -1.26 -3.66 120.51 119.88 1d6t n ALA 90 Ca 0.05 -0.71 0.11 0.00 0.00 0.00 0.00 53.44 52.89 1d6t n ALA 90 Cb 0.02 -1.05 0.42 0.00 0.00 0.00 0.00 19.45 18.85 1d6t n ALA 90 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1d6t n LYS 91 N 0.24 1.62 -2.71 0.00 -0.00 -1.18 -3.84 118.16 112.28 1d6t n LYS 91 Ca 0.10 -0.93 -0.06 0.00 -0.00 0.00 0.00 58.31 57.43 1d6t n LYS 91 Cb 0.60 -1.39 0.07 0.00 -0.00 0.00 0.00 35.03 34.31 1d6t n LYS 91 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1d6t n ASP 92 N 0.15 0.22 -2.31 -5.58 5.75 -1.24 -5.00 116.55 108.53 1d6t n ASP 92 Ca 0.16 -2.43 -0.08 0.00 -0.01 0.00 0.00 54.79 52.43 1d6t n ASP 92 Cb 0.29 0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 1d6t n ASP 92 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 1d6t n MET 93 N -0.51 1.09 -4.11 0.11 0.00 -1.25 -5.17 117.12 107.28 1d6t n MET 93 Ca 0.02 -0.97 -0.15 0.00 0.00 0.00 0.00 57.70 56.60 1d6t n MET 93 Cb 0.83 0.44 -0.12 0.00 0.00 0.00 0.00 33.22 34.38 1d6t n MET 93 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1d6t s THR 94 N -1.82 0.76 0.61 3.17 -4.23 -1.26 -5.00 115.64 107.87 1d6t s THR 94 Ca 0.04 -1.20 0.25 0.00 -1.18 0.00 0.00 61.69 59.59 1d6t s THR 94 Cb 0.00 -0.83 0.35 0.00 1.34 0.00 0.00 72.50 73.36 1d6t s THR 94 CO 0.03 -0.35 1.45 0.74 -0.54 0.00 0.00 174.62 175.95 1d6t h THR 95 N 4.34 0.09 -0.43 3.99 2.02 -2.00 1.76 112.91 122.68 1d6t h THR 95 Ca -0.38 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1d6t h THR 95 Cb 1.20 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1d6t h THR 95 CO 0.42 0.00 0.02 0.25 0.37 0.00 0.00 175.52 176.58 1d6t h LEU 96 N 0.00 0.73 -1.28 2.58 7.12 -1.95 -0.48 115.31 122.02 1d6t h LEU 96 Ca 0.35 -0.29 -0.05 0.00 0.13 0.00 0.00 57.88 58.02 1d6t h LEU 96 Cb 2.30 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 42.23 1d6t h LEU 96 CO -0.00 0.84 -0.23 1.56 -0.13 0.00 0.00 178.44 180.47 1d6t h GLN 97 N 0.59 0.00 0.14 1.25 4.20 0.23 -1.65 115.11 119.88 1d6t h GLN 97 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1d6t h GLN 97 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1d6t h GLN 97 CO 0.02 0.23 -0.07 0.82 -0.67 0.00 0.00 178.83 179.16 1d6t h ILE 98 N 0.00 0.93 -0.59 2.54 2.04 -0.91 -2.41 117.51 119.11 1d6t h ILE 98 Ca -0.00 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 64.73 1d6t h ILE 98 Cb 0.67 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1d6t h ILE 98 CO 0.03 0.24 0.39 1.56 0.00 0.00 0.00 178.15 180.37 1d6t h GLN 99 N -0.83 0.66 0.00 2.37 1.08 -1.03 0.82 115.11 118.18 1d6t h GLN 99 Ca -0.02 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1d6t h GLN 99 Cb 0.54 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1d6t h GLN 99 CO 0.03 0.44 -0.12 -0.91 -0.95 0.00 0.00 178.83 177.32 1d6t h ASN 100 N 0.68 0.00 0.00 1.46 2.35 -1.31 -1.56 115.58 117.21 1d6t h ASN 100 Ca 0.23 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.87 1d6t h ASN 100 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1d6t h ASN 100 CO -0.06 0.12 -0.90 -1.54 -1.65 0.00 0.00 177.43 173.39 1d6t n SER 101 N -3.35 1.84 -0.32 5.81 3.41 0.79 -4.15 113.62 117.65 1d6t n SER 101 Ca -0.00 0.53 0.27 0.00 -0.26 0.00 0.00 58.87 59.41 1d6t n SER 101 Cb 0.32 -0.90 0.59 0.00 -0.26 0.00 0.00 64.21 63.95 1d6t n SER 101 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1d6t h LEU 102 N -1.00 0.29 0.00 1.04 3.38 0.45 3.32 115.31 122.80 1d6t h LEU 102 Ca -0.17 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1d6t h LEU 102 Cb 0.88 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1d6t h LEU 102 CO -0.10 0.05 0.00 -0.62 0.09 0.00 0.00 178.44 177.86 1d6t n GLU 103 N -4.49 0.13 0.02 1.13 -0.58 -0.59 -2.41 120.64 113.85 1d6t n GLU 103 Ca 0.25 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1d6t n GLU 103 Cb 1.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 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 -1.33 -0.25 -0.34 -0.32 -0.00 0.92 -4.41 115.22 109.48 1d6t n HIS 104 Ca 0.05 0.05 0.30 0.00 0.46 0.00 0.00 57.72 58.57 1d6t n HIS 104 Cb 0.10 0.38 0.56 0.00 -0.12 0.00 0.00 29.99 30.91 1d6t n HIS 104 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 1d6t h VAL 105 N 0.00 0.13 0.18 3.57 3.04 0.39 1.68 116.25 125.24 1d6t h VAL 105 Ca 0.00 -0.05 -0.31 0.00 -1.01 0.00 0.00 66.70 65.33 1d6t h VAL 105 Cb 0.00 -0.02 0.01 0.00 -2.01 0.00 0.00 31.29 29.28 1d6t h VAL 105 CO 0.00 0.02 -1.45 0.25 -1.01 0.00 0.00 177.57 175.39 1d6t h LEU 106 N 0.13 0.59 -1.50 3.16 5.85 -1.50 -2.66 115.31 119.38 1d6t h LEU 106 Ca 0.80 -0.69 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1d6t h LEU 106 Cb 2.08 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.87 1d6t h LEU 106 CO -0.66 1.55 0.49 0.50 -0.34 0.00 0.00 178.44 179.98 1d6t h LYS 107 N 0.10 0.51 0.11 1.25 3.11 0.23 0.12 116.57 122.00 1d6t h LYS 107 Ca -0.22 -0.03 -0.26 0.00 -2.81 0.00 0.00 60.65 57.32 1d6t h LYS 107 Cb 2.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 33.18 1d6t h LYS 107 CO 0.22 0.34 -1.20 0.82 -2.81 0.00 0.00 179.45 176.82 1d6t h ILE 108 N 0.52 1.53 -1.87 2.00 2.04 -0.16 -3.23 117.51 118.34 1d6t h ILE 108 Ca 0.35 -3.11 0.54 0.00 1.00 0.00 0.00 64.86 63.64 1d6t h ILE 108 Cb 0.65 2.92 -0.07 0.00 -0.74 0.00 0.00 36.82 39.58 1d6t h ILE 108 CO -0.12 0.91 1.40 0.00 0.00 0.00 0.00 178.15 180.34 1d6t n ALA 109 N -2.50 1.80 -0.48 1.87 0.00 0.40 -4.66 120.51 116.93 1d6t n ALA 109 Ca -0.07 0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1d6t n ALA 109 Cb 1.01 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1d6t n ALA 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1d6t n LYS 110 N -3.83 0.00 -0.70 0.00 3.00 -1.20 -4.58 118.16 110.84 1d6t n LYS 110 Ca 0.42 0.05 -0.14 0.00 -0.00 0.00 0.00 58.31 58.64 1d6t n LYS 110 Cb 1.96 -1.53 0.10 0.00 0.00 0.00 0.00 35.03 35.56 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 -2.48 2.27 -4.05 3.15 0.24 -1.25 -4.79 118.33 111.41 1d6t n VAL 111 Ca 0.00 -1.12 -0.25 0.00 -2.04 0.00 0.00 64.34 60.93 1d6t n VAL 111 Cb 0.00 -0.73 -0.17 0.00 -1.47 0.00 0.00 33.84 31.47 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 -1.86 1.34 0.22 6.34 0.40 -1.26 -3.66 117.98 119.49 1d6t s PHE 112 Ca 0.32 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1d6t s PHE 112 Cb 0.27 -1.11 0.52 0.00 0.51 0.00 0.00 43.02 43.21 1d6t s PHE 112 CO 0.06 -0.42 1.11 0.27 0.70 0.00 0.00 175.22 176.93 1d6t n ASN 113 N 4.65 -0.10 0.04 1.36 0.23 -1.24 -4.60 115.26 115.60 1d6t n ASN 113 Ca -0.15 1.20 0.00 0.00 -0.53 0.00 0.00 54.58 55.10 1d6t n ASN 113 Cb 0.50 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1d6t n ASN 113 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1d6t n LYS 114 N -4.98 0.00 -2.86 -3.83 5.02 -1.26 -5.08 118.16 105.18 1d6t n LYS 114 Ca 0.16 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.45 1d6t n LYS 114 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.55 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 -1.22 0.52 1.00 1.97 2.20 -1.26 -5.11 119.74 117.83 1d6t s LYS 115 Ca 0.00 -0.33 -0.17 0.00 -0.36 0.00 0.00 55.97 55.11 1d6t s LYS 115 Cb 0.00 0.02 -0.14 0.00 -1.51 0.00 0.00 37.83 36.21 1d6t s LYS 115 CO 0.00 -0.70 -0.72 -0.89 -0.36 0.00 0.00 175.35 172.68 1d6t n ILE 116 N 3.49 0.00 0.00 5.43 -0.00 -1.26 -5.23 119.36 121.78 1d6t n ILE 116 Ca 0.11 -0.47 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 1d6t n ILE 116 Cb 0.61 -0.05 0.00 0.00 -0.00 0.00 0.00 39.64 40.20 1d6t n ILE 116 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84