#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6t h LEU 2 N 0.00 -0.23 -8.45 4.03 6.46 -2.11 -3.45 115.31 111.55 1d6t h LEU 2 Ca 0.00 0.01 -0.31 0.00 -0.12 0.00 0.00 57.88 57.46 1d6t h LEU 2 Cb 0.00 0.07 -0.18 0.00 -0.73 0.00 0.00 40.66 39.83 1d6t h LEU 2 CO 0.00 -0.13 -0.73 -0.22 -0.62 0.00 0.00 178.44 176.74 1d6t s LEU 3 N -5.33 2.41 0.00 2.25 1.98 -1.26 -5.15 118.68 113.58 1d6t s LEU 3 Ca -0.03 -0.82 0.00 0.00 -2.89 0.00 0.00 54.13 50.38 1d6t s LEU 3 Cb 0.01 -0.29 0.00 0.00 0.66 0.00 0.00 46.19 46.57 1d6t s LEU 3 CO 0.11 -0.27 0.00 -0.62 -1.89 0.00 0.00 176.35 173.67 1d6t n GLU 4 N 0.53 1.07 0.00 1.98 -0.58 -1.26 -4.90 120.64 117.48 1d6t n GLU 4 Ca -0.16 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.63 1d6t n GLU 4 Cb 0.58 0.00 0.24 0.00 -0.57 0.00 0.00 31.44 31.69 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 0.13 -1.49 3.49 2.85 -1.26 -4.78 118.16 117.10 1d6t n LYS 5 Ca 0.00 0.20 -0.08 0.00 -1.05 0.00 0.00 58.31 57.38 1d6t n LYS 5 Cb 0.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 1d6t n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d6t n ALA 6 N -1.30 -0.16 -1.73 0.58 0.00 -1.26 -2.31 120.51 114.33 1d6t n ALA 6 Ca 0.04 0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 1d6t n ALA 6 Cb 0.08 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 1d6t n ALA 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1d6t n TYR 7 N -3.09 -0.24 -2.38 0.00 4.01 -1.26 -4.50 117.16 109.70 1d6t n TYR 7 Ca -0.09 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.24 1d6t n TYR 7 Cb 0.35 -2.90 -0.03 0.00 -0.31 0.00 0.00 39.34 36.45 1d6t n TYR 7 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1d6t s ARG 8 N -3.80 4.46 0.00 -0.72 3.52 -0.98 -3.05 118.95 118.39 1d6t s ARG 8 Ca 0.00 1.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 1d6t s ARG 8 Cb 0.00 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1d6t s ARG 8 CO 0.00 -0.16 0.00 -0.89 -0.81 0.00 0.00 175.30 173.44 1d6t n ILE 9 N 3.04 0.00 0.00 4.11 5.41 0.12 -4.82 119.36 127.22 1d6t n ILE 9 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1d6t n ILE 9 Cb 0.45 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 1d6t n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1d6t n LYS 10 N 0.00 0.00 -1.90 0.38 4.76 -1.26 -4.71 118.16 115.43 1d6t n LYS 10 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1d6t n LYS 10 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 1d6t n LYS 10 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1d6t s LYS 11 N 0.00 4.18 0.64 1.97 -2.85 -1.26 -4.85 119.74 117.58 1d6t s LYS 11 Ca 0.00 2.46 0.38 0.00 -1.00 0.00 0.00 55.97 57.82 1d6t s LYS 11 Cb 0.00 -3.01 2.16 0.00 -2.06 0.00 0.00 37.83 34.92 1d6t s LYS 11 CO 0.00 -0.44 2.29 -0.97 0.10 0.00 0.00 175.35 176.33 1d6t h ASN 12 N 3.30 0.00 0.22 0.03 -0.73 -2.00 -1.50 115.58 114.90 1d6t h ASN 12 Ca -0.50 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.66 1d6t h ASN 12 Cb 1.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.83 1d6t h ASN 12 CO 0.66 0.00 -0.11 0.00 -0.37 0.00 0.00 177.43 177.61 1d6t h ALA 13 N 1.94 -0.89 0.00 1.57 0.00 -1.98 1.83 119.26 121.73 1d6t h ALA 13 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d6t h ALA 13 Cb 0.08 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1d6t h ALA 13 CO -0.00 -0.87 0.06 0.22 0.00 0.00 0.00 179.25 178.65 1d6t h ASP 14 N -0.35 0.00 0.58 0.00 1.82 -1.86 0.58 116.42 117.19 1d6t h ASP 14 Ca -0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 1d6t h ASP 14 Cb 0.23 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 1d6t h ASP 14 CO 0.05 0.00 -1.44 0.49 -1.61 0.00 0.00 179.24 176.73 1d6t n PHE 15 N -2.41 0.59 -0.09 0.28 3.72 -0.59 -4.21 117.46 114.73 1d6t n PHE 15 Ca -0.02 0.17 -0.16 0.00 -0.05 0.00 0.00 57.45 57.40 1d6t n PHE 15 Cb 0.10 -0.80 -0.08 0.00 -0.94 0.00 0.00 39.48 37.76 1d6t n PHE 15 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1d6t h GLN 16 N 0.00 0.00 -1.08 -1.08 4.15 0.79 -2.89 115.11 115.00 1d6t h GLN 16 Ca -0.02 0.00 0.31 0.00 0.77 0.00 0.00 58.65 59.71 1d6t h GLN 16 Cb 1.07 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.71 1d6t h GLN 16 CO 0.00 0.68 1.11 -0.09 -1.93 0.00 0.00 178.83 178.60 1d6t h ARG 17 N -1.00 0.00 0.03 1.69 9.65 -0.84 1.46 114.38 125.38 1d6t h ARG 17 Ca -0.23 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 58.37 1d6t h ARG 17 Cb 1.03 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.58 1d6t h ARG 17 CO -0.14 0.00 -1.54 -0.89 2.80 0.00 0.00 179.97 180.20 1d6t n ILE 18 N -3.47 1.60 0.57 1.20 5.41 -1.26 -2.91 119.36 120.51 1d6t n ILE 18 Ca 0.24 -0.22 0.06 0.00 1.00 0.00 0.00 62.75 63.83 1d6t n ILE 18 Cb 1.44 -1.95 0.31 0.00 -0.71 0.00 0.00 39.64 38.74 1d6t n ILE 18 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1d6t n TYR 19 N -4.16 0.00 0.00 1.39 4.02 0.30 0.58 117.16 119.29 1d6t n TYR 19 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 1d6t n TYR 19 Cb 0.79 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 -1.33 0.00 0.00 -0.72 4.81 0.42 -4.78 118.16 116.57 1d6t n LYS 20 Ca 0.05 0.01 0.09 0.00 -0.87 0.00 0.00 58.31 57.59 1d6t n LYS 20 Cb 0.11 -0.21 -0.14 0.00 0.02 0.00 0.00 35.03 34.81 1d6t n LYS 20 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1d6t n LYS 21 N -1.16 0.65 -0.55 1.64 2.85 -1.22 -4.98 118.16 115.40 1d6t n LYS 21 Ca 0.00 -0.13 -0.21 0.00 -1.05 0.00 0.00 58.31 56.93 1d6t n LYS 21 Cb 0.00 -1.57 0.15 0.00 -0.65 0.00 0.00 35.03 32.96 1d6t n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1d6t n GLY 22 N 1.29 -2.52 2.74 2.58 0.00 0.20 -5.01 105.19 104.46 1d6t n GLY 22 Ca -0.06 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.09 0.07 0.23 1.61 5.04 -1.01 -4.81 115.29 114.34 1d6t s HIS 23 Ca 0.39 0.16 0.10 0.00 -1.54 0.00 0.00 55.06 54.17 1d6t s HIS 23 Cb -0.06 -0.35 -0.04 0.00 0.04 0.00 0.00 32.58 32.17 1d6t s HIS 23 CO 0.39 -0.13 -0.09 -1.54 -2.34 0.00 0.00 174.74 171.02 1d6t s SER 24 N 1.47 4.18 -0.09 9.88 1.04 -1.26 0.02 113.70 128.95 1d6t s SER 24 Ca -0.04 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1d6t s SER 24 Cb -0.13 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.36 1d6t s SER 24 CO -0.03 0.06 -0.09 0.68 0.98 0.00 0.00 173.24 174.84 1d6t s VAL 25 N -2.06 0.99 -0.07 5.02 -7.23 0.18 -4.94 120.40 112.28 1d6t s VAL 25 Ca 0.28 -0.33 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 1d6t s VAL 25 Cb -0.07 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 1d6t s VAL 25 CO 0.16 0.34 -0.16 0.00 -0.31 0.00 0.00 175.10 175.14 1d6t s ALA 26 N 1.23 2.57 -0.14 1.32 0.00 -1.26 -0.74 121.76 124.74 1d6t s ALA 26 Ca -0.04 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 1d6t s ALA 26 Cb -0.14 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 1d6t s ALA 26 CO -0.03 0.47 -0.30 0.27 0.00 0.00 0.00 175.76 176.17 1d6t n ASN 27 N 2.67 1.82 0.00 0.00 0.23 -1.02 -4.99 115.26 113.96 1d6t n ASN 27 Ca -0.17 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 1d6t n ASN 27 Cb 0.52 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 1d6t n ASN 27 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1d6t n ARG 28 N -4.31 0.00 -0.00 -3.83 0.63 -1.26 -4.95 116.66 102.93 1d6t n ARG 28 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1d6t n ARG 28 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.37 1d6t n ARG 28 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1d6t n GLN 29 N -1.88 2.25 -4.66 -0.14 0.00 -1.26 -4.96 117.38 106.73 1d6t n GLN 29 Ca 0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 57.00 55.40 1d6t n GLN 29 Cb 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 30.24 29.18 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 -0.80 2.58 -0.33 2.61 5.36 -1.26 -1.06 117.98 125.09 1d6t s PHE 30 Ca 0.01 -1.29 0.01 0.00 -0.96 0.00 0.00 56.93 54.70 1d6t s PHE 30 Cb 0.01 -1.76 0.08 0.00 -0.34 0.00 0.00 43.02 41.00 1d6t s PHE 30 CO 0.00 -0.59 0.04 0.54 -1.46 0.00 0.00 175.22 173.74 1d6t s VAL 31 N 0.82 2.60 -0.19 3.12 0.11 0.10 -2.44 120.40 124.53 1d6t s VAL 31 Ca -0.07 -1.94 -0.18 0.00 -2.93 0.00 0.00 61.98 56.85 1d6t s VAL 31 Cb -0.15 -2.72 -0.03 0.00 -1.53 0.00 0.00 36.38 31.94 1d6t s VAL 31 CO -0.02 -0.40 0.50 0.68 -3.33 0.00 0.00 175.10 172.54 1d6t s VAL 32 N 1.06 5.13 -0.19 2.04 -7.23 0.08 0.29 120.40 121.58 1d6t s VAL 32 Ca 0.03 0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 61.01 1d6t s VAL 32 Cb -0.20 -3.83 -0.05 0.00 0.56 0.00 0.00 36.38 32.86 1d6t s VAL 32 CO -0.05 0.20 0.24 -0.31 -0.31 0.00 0.00 175.10 174.87 1d6t s TYR 33 N 1.46 3.41 -0.03 2.82 2.02 0.58 0.49 117.35 128.10 1d6t s TYR 33 Ca 0.24 0.47 -0.04 0.00 -0.37 0.00 0.00 57.07 57.37 1d6t s TYR 33 Cb -0.15 -2.30 0.01 0.00 -0.40 0.00 0.00 41.96 39.11 1d6t s TYR 33 CO 0.10 0.20 0.11 0.95 -1.57 0.00 0.00 175.55 175.33 1d6t s THR 34 N 0.63 0.02 0.00 -0.71 -4.23 0.10 -1.60 115.64 109.85 1d6t s THR 34 Ca 0.13 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1d6t s THR 34 Cb -0.13 -0.20 0.00 0.00 1.34 0.00 0.00 72.50 73.52 1d6t s THR 34 CO 0.03 -0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.04 1d6t n ASN 36 N 0.00 -2.09 -1.00 0.00 2.85 -1.26 -3.73 115.26 110.03 1d6t n ASN 36 Ca 0.00 0.07 0.02 0.00 -0.11 0.00 0.00 54.58 54.56 1d6t n ASN 36 Cb 0.00 -1.19 0.22 0.00 1.24 0.00 0.00 39.78 40.05 1d6t n ASN 36 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1d6t n ASN 37 N 0.08 3.17 -3.83 1.20 5.15 -1.26 -4.70 115.26 115.07 1d6t n ASN 37 Ca -0.01 -3.38 -0.12 0.00 -0.60 0.00 0.00 54.58 50.47 1d6t n ASN 37 Cb 0.02 -0.59 -0.10 0.00 -0.53 0.00 0.00 39.78 38.58 1d6t n ASN 37 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1d6t s LYS 38 N -3.03 0.49 -0.61 1.20 -2.85 -1.26 -4.97 119.74 108.71 1d6t s LYS 38 Ca 0.43 -0.22 -0.16 0.00 -1.00 0.00 0.00 55.97 55.02 1d6t s LYS 38 Cb 0.37 0.21 0.02 0.00 -2.06 0.00 0.00 37.83 36.38 1d6t s LYS 38 CO 0.05 -0.12 0.64 -1.91 0.10 0.00 0.00 175.35 174.11 1d6t n GLU 39 N 1.66 -1.79 -2.89 1.78 4.07 -1.26 -4.98 120.64 117.23 1d6t n GLU 39 Ca -0.21 1.38 -0.21 0.00 -0.06 0.00 0.00 57.16 58.06 1d6t n GLU 39 Cb 0.56 -3.51 0.02 0.00 -0.06 0.00 0.00 31.44 28.45 1d6t n GLU 39 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1d6t s ILE 40 N -2.43 3.39 -0.10 6.31 1.10 -1.26 -5.03 121.20 123.17 1d6t s ILE 40 Ca 0.17 -0.65 0.23 0.00 -0.51 0.00 0.00 60.65 59.89 1d6t s ILE 40 Cb -0.03 -3.24 0.45 0.00 0.15 0.00 0.00 42.46 39.79 1d6t s ILE 40 CO 0.84 -0.15 1.16 -0.67 -2.11 0.00 0.00 174.94 174.00 1d6t n ASP 41 N -2.12 1.40 -0.01 4.50 2.03 -1.26 -5.10 116.55 115.98 1d6t n ASP 41 Ca 0.04 -2.28 0.00 0.00 0.52 0.00 0.00 54.79 53.08 1d6t n ASP 41 Cb 0.59 -0.37 -0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1d6t n ASP 41 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1d6t n HIS 42 N -0.01 -0.02 -1.55 -0.67 8.25 -1.26 -4.77 115.22 115.20 1d6t n HIS 42 Ca 0.09 0.01 -0.47 0.00 -0.26 0.00 0.00 57.72 57.09 1d6t n HIS 42 Cb 1.00 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 32.05 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 -2.23 1.88 -2.32 4.41 -1.74 -1.23 -3.95 117.46 112.29 1d6t n PHE 43 Ca -0.00 0.07 -0.15 0.00 -0.56 0.00 0.00 57.45 56.81 1d6t n PHE 43 Cb 0.00 -2.63 0.08 0.00 1.52 0.00 0.00 39.48 38.45 1d6t n PHE 43 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1d6t n ARG 44 N 8.10 0.01 -3.36 3.97 1.74 -1.26 -4.46 116.66 121.40 1d6t n ARG 44 Ca 0.33 -1.62 -0.01 0.00 -0.77 0.00 0.00 57.85 55.79 1d6t n ARG 44 Cb 0.32 -0.48 -0.04 0.00 -1.02 0.00 0.00 32.46 31.24 1d6t n ARG 44 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1d6t s LEU 45 N 0.00 -1.11 -0.12 0.55 1.43 -1.17 -4.39 118.68 113.88 1d6t s LEU 45 Ca 0.42 0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 54.39 1d6t s LEU 45 Cb -0.02 1.91 -0.02 0.00 0.03 0.00 0.00 46.19 48.09 1d6t s LEU 45 CO 0.28 -0.26 -0.10 1.23 0.23 0.00 0.00 176.35 177.74 1d6t h GLY 46 N 8.05 0.00 -3.37 -3.19 0.00 -1.78 0.33 103.07 103.12 1d6t h GLY 46 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1d6t h GLY 46 CO 0.21 0.00 -0.50 1.39 0.00 0.00 0.00 176.54 177.64 1d6t n ILE 47 N -4.58 -7.63 -4.11 2.60 5.41 -1.26 -4.52 119.36 105.27 1d6t n ILE 47 Ca -0.04 1.54 -0.08 0.00 1.00 0.00 0.00 62.75 65.17 1d6t n ILE 47 Cb 0.15 -4.56 -0.10 0.00 -0.71 0.00 0.00 39.64 34.42 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 -0.30 0.57 0.20 4.38 0.01 -1.18 -5.01 113.70 112.38 1d6t s SER 48 Ca -0.01 -1.02 -0.12 0.00 1.31 0.00 0.00 55.95 56.12 1d6t s SER 48 Cb 0.00 0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.42 1d6t s SER 48 CO 0.03 -0.59 0.39 -0.69 0.41 0.00 0.00 173.24 172.79 1d6t s VAL 49 N -3.89 0.03 0.44 3.43 1.01 -1.26 -3.12 120.40 117.04 1d6t s VAL 49 Ca 0.09 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1d6t s VAL 49 Cb 0.08 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1d6t s VAL 49 CO -0.08 -0.15 0.64 -0.55 0.00 0.00 0.00 175.10 174.96 1d6t s SER 50 N -2.97 5.78 0.00 3.32 0.15 -1.26 -4.91 113.70 113.81 1d6t s SER 50 Ca 0.18 0.14 0.20 0.00 0.70 0.00 0.00 55.95 57.16 1d6t s SER 50 Cb 0.01 -1.37 0.26 0.00 -1.71 0.00 0.00 66.02 63.22 1d6t s SER 50 CO 0.03 -0.71 1.22 0.29 1.20 0.00 0.00 173.24 175.27 1d6t n LYS 51 N -2.02 2.03 -0.00 5.44 5.02 -1.26 -4.11 118.16 123.26 1d6t n LYS 51 Ca 0.02 -1.90 0.05 0.00 -2.02 0.00 0.00 58.31 54.46 1d6t n LYS 51 Cb 0.58 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.16 2.11 0.00 1.97 5.02 -1.26 -4.73 118.16 122.44 1d6t n LYS 52 Ca 0.14 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1d6t n LYS 52 Cb 0.51 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1d6t n LEU 53 N -1.53 0.00 0.00 -0.35 0.00 -1.25 -4.95 117.00 108.92 1d6t n LEU 53 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 56.01 56.74 1d6t n LEU 53 Cb 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 43.42 43.33 1d6t n LEU 53 CO 0.21 -0.30 0.00 0.61 0.00 0.00 0.00 177.39 177.91 1d6t n GLY 54 N -0.98 -0.79 4.03 -3.96 0.00 -1.26 -4.59 105.19 97.64 1d6t n GLY 54 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 5.08 0.47 1.61 2.47 -1.26 -4.99 114.94 114.33 1d6t s ASN 55 Ca 0.00 -0.74 0.24 0.00 0.42 0.00 0.00 52.86 52.78 1d6t s ASN 55 Cb 0.00 0.14 1.16 0.00 -1.45 0.00 0.00 41.25 41.10 1d6t s ASN 55 CO 0.00 -1.33 1.95 0.00 -3.72 0.00 0.00 177.10 174.00 1d6t h ALA 56 N 0.15 1.20 -0.95 1.71 0.00 -2.01 -2.58 119.26 116.78 1d6t h ALA 56 Ca -0.32 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.60 1d6t h ALA 56 Cb 1.29 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1d6t h ALA 56 CO 0.41 0.25 0.54 -0.24 0.00 0.00 0.00 179.25 180.21 1d6t h VAL 57 N 0.00 0.67 -0.11 0.00 3.04 -1.98 0.82 116.25 118.69 1d6t h VAL 57 Ca -0.00 -0.23 -0.12 0.00 -1.01 0.00 0.00 66.70 65.33 1d6t h VAL 57 Cb 0.53 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1d6t h VAL 57 CO 0.03 0.12 -0.42 -0.07 -1.01 0.00 0.00 177.57 176.22 1d6t h LEU 58 N 0.67 0.56 0.00 3.16 3.38 -1.85 -1.07 115.31 120.16 1d6t h LEU 58 Ca 0.55 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1d6t h LEU 58 Cb 0.88 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1d6t h LEU 58 CO -0.40 1.09 0.00 -1.14 0.09 0.00 0.00 178.44 178.07 1d6t n ARG 59 N -4.30 0.00 -0.08 1.13 0.63 0.22 -0.13 116.66 114.12 1d6t n ARG 59 Ca -0.08 0.33 -0.14 0.00 -0.92 0.00 0.00 57.85 57.04 1d6t n ARG 59 Cb 0.55 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.82 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 -1.49 1.09 0.07 6.15 3.02 0.26 -3.30 115.26 121.06 1d6t n ASN 60 Ca 0.02 0.04 -0.17 0.00 -0.03 0.00 0.00 54.58 54.45 1d6t n ASN 60 Cb 0.11 0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.01 0.48 0.00 3.52 1.57 -0.29 1.15 116.57 123.02 1d6t h LYS 61 Ca -0.50 -0.57 -0.09 0.00 -1.87 0.00 0.00 60.65 57.62 1d6t h LYS 61 Cb 2.07 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 34.54 1d6t h LYS 61 CO 0.00 1.21 -0.41 0.82 -0.57 0.00 0.00 179.45 180.50 1d6t h ILE 62 N 0.25 0.96 0.00 1.86 2.04 -0.72 0.20 117.51 122.10 1d6t h ILE 62 Ca -0.12 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1d6t h ILE 62 Cb 1.71 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 1d6t h ILE 62 CO 0.19 0.40 -1.55 0.29 0.00 0.00 0.00 178.15 177.48 1d6t n LYS 63 N -3.57 0.53 -0.02 2.37 4.76 -1.18 -3.77 118.16 117.30 1d6t n LYS 63 Ca -0.00 -0.08 -0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1d6t n LYS 63 Cb 0.53 -1.60 -0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1d6t n LYS 63 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1d6t h ARG 64 N 0.00 0.00 -0.95 1.97 2.43 0.17 -2.41 114.38 115.58 1d6t h ARG 64 Ca 0.00 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.42 1d6t h ARG 64 Cb 0.92 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.33 1d6t h ARG 64 CO 0.00 0.00 0.48 0.00 -1.51 0.00 0.00 179.97 178.94 1d6t h ALA 65 N -1.68 1.65 -0.19 2.80 0.00 -1.16 1.61 119.26 122.28 1d6t h ALA 65 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1d6t h ALA 65 Cb 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1d6t h ALA 65 CO 0.00 -0.38 -0.26 0.97 0.00 0.00 0.00 179.25 179.58 1d6t h ILE 66 N 0.43 1.26 -0.00 0.00 6.09 -1.71 -0.40 117.51 123.17 1d6t h ILE 66 Ca 0.62 -1.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 1d6t h ILE 66 Cb 1.25 1.41 0.00 0.00 0.47 0.00 0.00 36.82 39.95 1d6t h ILE 66 CO -0.54 0.38 -0.01 0.54 -3.07 0.00 0.00 178.15 175.45 1d6t n ARG 67 N -4.13 0.84 -0.00 2.19 1.74 0.52 -1.27 116.66 116.54 1d6t n ARG 67 Ca -0.01 -0.07 0.06 0.00 -0.77 0.00 0.00 57.85 57.06 1d6t n ARG 67 Cb 0.39 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 1d6t n ARG 67 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1d6t n GLU 68 N -1.02 1.32 -0.07 5.56 2.13 0.70 -3.93 120.64 125.32 1d6t n GLU 68 Ca 0.20 -0.07 -0.04 0.00 0.66 0.00 0.00 57.16 57.90 1d6t n GLU 68 Cb 0.18 -1.21 -0.16 0.00 0.27 0.00 0.00 31.44 30.52 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 -1.70 0.13 0.10 4.31 2.85 -0.29 -3.76 115.26 116.90 1d6t n ASN 69 Ca -0.01 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.24 1d6t n ASN 69 Cb 0.27 1.25 -0.14 0.00 1.24 0.00 0.00 39.78 42.41 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 0.00 0.98 -0.47 1.20 0.04 -1.41 0.10 116.94 117.37 1d6t h PHE 70 Ca -0.39 -0.64 -0.08 0.00 2.80 0.00 0.00 57.97 59.66 1d6t h PHE 70 Cb 1.88 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.95 1d6t h PHE 70 CO 0.00 1.48 -0.02 1.57 -0.60 0.00 0.00 178.31 180.74 1d6t h LYS 71 N 0.20 0.85 0.10 1.51 2.10 -1.77 1.55 116.57 121.10 1d6t h LYS 71 Ca -0.20 -0.28 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1d6t h LYS 71 Cb 1.95 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 1d6t h LYS 71 CO 0.24 0.90 -0.05 -0.24 -2.00 0.00 0.00 179.45 178.31 1d6t h VAL 72 N 0.70 1.14 -0.15 0.07 3.04 -1.65 -2.86 116.25 116.54 1d6t h VAL 72 Ca 0.13 -1.04 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 1d6t h VAL 72 Cb 0.53 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1d6t h VAL 72 CO 0.03 0.25 0.00 1.41 -1.01 0.00 0.00 177.57 178.24 1d6t n HIS 73 N -4.92 0.30 -0.28 3.17 8.25 0.02 -4.03 115.22 117.73 1d6t n HIS 73 Ca -0.09 -0.12 0.17 0.00 -0.26 0.00 0.00 57.72 57.42 1d6t n HIS 73 Cb 0.26 -0.06 0.44 0.00 1.12 0.00 0.00 29.99 31.75 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 0.91 0.53 -0.56 -0.41 3.64 0.25 0.98 116.57 121.91 1d6t h LYS 74 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1d6t h LYS 74 Cb 0.42 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1d6t h LYS 74 CO 0.04 0.35 0.00 0.43 -2.27 0.00 0.00 179.45 178.00 1d6t n SER 75 N -4.58 4.87 0.00 4.20 7.64 -1.26 -4.00 113.62 120.50 1d6t n SER 75 Ca 0.20 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.42 1d6t n SER 75 Cb 0.64 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.71 0.00 -4.28 1.43 8.25 0.33 -5.02 115.22 116.63 1d6t n HIS 76 Ca 0.25 -0.24 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 1d6t n HIS 76 Cb 0.97 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.97 1d6t n HIS 76 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1d6t s ILE 77 N -0.48 3.35 0.51 1.59 1.09 -0.37 -2.13 121.20 124.76 1d6t s ILE 77 Ca 0.00 -1.70 0.05 0.00 -1.10 0.00 0.00 60.65 57.91 1d6t s ILE 77 Cb 0.00 -2.70 0.01 0.00 -1.06 0.00 0.00 42.46 38.71 1d6t s ILE 77 CO 0.00 -0.19 0.31 -1.48 -0.10 0.00 0.00 174.94 173.49 1d6t s LEU 78 N -3.10 2.75 0.05 2.97 -0.00 -0.95 -4.86 118.68 115.54 1d6t s LEU 78 Ca 0.27 -1.24 -0.30 0.00 -0.00 0.00 0.00 54.13 52.86 1d6t s LEU 78 Cb -0.08 -1.22 -0.04 0.00 -0.00 0.00 0.00 46.19 44.84 1d6t s LEU 78 CO 0.17 -0.96 1.02 0.00 -0.00 0.00 0.00 176.35 176.58 1d6t s ALA 79 N -2.74 3.23 0.00 1.48 0.00 -1.26 -3.48 121.76 118.99 1d6t s ALA 79 Ca 0.32 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1d6t s ALA 79 Cb -0.01 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1d6t s ALA 79 CO 0.19 -0.21 0.00 1.63 0.00 0.00 0.00 175.76 177.37 1d6t n LYS 80 N 3.50 0.00 -1.12 0.00 5.02 -1.25 -4.79 118.16 119.52 1d6t n LYS 80 Ca 0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.09 1d6t n LYS 80 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.37 1d6t n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1d6t n ASP 81 N 0.00 -0.26 -4.38 4.39 9.92 -1.24 -4.33 116.55 120.65 1d6t n ASP 81 Ca 0.00 -0.06 -0.34 0.00 -0.53 0.00 0.00 54.79 53.86 1d6t n ASP 81 Cb 0.00 -0.58 -0.13 0.00 -0.64 0.00 0.00 41.12 39.76 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 4.31 3.53 -0.19 0.53 -1.16 -1.24 -3.52 121.20 123.46 1d6t s ILE 82 Ca 1.00 -0.46 -0.04 0.00 -0.51 0.00 0.00 60.65 60.64 1d6t s ILE 82 Cb -0.83 -2.57 0.09 0.00 0.61 0.00 0.00 42.46 39.75 1d6t s ILE 82 CO 0.39 0.45 0.22 -0.63 -2.81 0.00 0.00 174.94 172.56 1d6t s ILE 83 N 0.98 -0.33 -0.20 2.00 1.01 -0.63 -2.57 121.20 121.46 1d6t s ILE 83 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 1d6t s ILE 83 Cb -0.15 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1d6t s ILE 83 CO 0.01 -0.15 0.09 0.68 0.00 0.00 0.00 174.94 175.57 1d6t s VAL 84 N 2.34 4.98 0.23 2.92 -7.23 -1.25 0.22 120.40 122.60 1d6t s VAL 84 Ca 0.06 0.04 0.09 0.00 -1.81 0.00 0.00 61.98 60.36 1d6t s VAL 84 Cb -0.15 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 1d6t s VAL 84 CO -0.11 0.43 0.01 -0.63 -0.31 0.00 0.00 175.10 174.48 1d6t s ILE 85 N 0.58 3.60 -0.32 -0.62 -1.09 0.15 -3.08 121.20 120.41 1d6t s ILE 85 Ca 0.05 -1.70 -0.01 0.00 -2.23 0.00 0.00 60.65 56.75 1d6t s ILE 85 Cb -0.13 -2.89 0.19 0.00 -1.58 0.00 0.00 42.46 38.06 1d6t s ILE 85 CO 0.01 -0.28 2.10 0.00 -1.23 0.00 0.00 174.94 175.54 1d6t n ALA 86 N -0.63 5.23 0.00 9.38 0.00 -1.18 -0.72 120.51 132.59 1d6t n ALA 86 Ca -0.08 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1d6t n ALA 86 Cb 0.57 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1d6t n ALA 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1d6t n ARG 87 N 0.42 0.00 0.15 0.00 5.12 -0.22 -3.55 116.66 118.58 1d6t n ARG 87 Ca 0.31 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 1d6t n ARG 87 Cb 0.58 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 1d6t n ARG 87 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1d6t n GLN 88 N 0.00 0.00 0.00 5.56 6.02 -1.26 -4.64 117.38 123.05 1d6t n GLN 88 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1d6t n GLN 88 Cb 0.00 0.00 0.51 0.00 1.02 0.00 0.00 30.24 31.77 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 -3.24 0.75 0.27 -1.09 -0.04 -1.26 -3.60 135.00 126.80 1d6t n PRO 89 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1d6t n PRO 89 Cb 0.00 -1.36 0.60 0.00 -0.04 0.00 0.00 33.50 32.70 1d6t n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d6t h ALA 90 N 3.21 1.69 -0.03 0.55 0.00 -1.80 0.79 119.26 123.67 1d6t h ALA 90 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1d6t h ALA 90 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1d6t h ALA 90 CO 0.00 -0.61 0.23 1.57 0.00 0.00 0.00 179.25 180.44 1d6t h LYS 91 N 0.00 0.00 -0.65 0.00 2.10 -1.81 1.65 116.57 117.87 1d6t h LYS 91 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1d6t h LYS 91 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1d6t h LYS 91 CO -0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 1d6t n ASP 92 N -3.04 4.59 -4.72 7.07 5.68 0.27 -4.91 116.55 121.48 1d6t n ASP 92 Ca -0.02 -2.48 -0.31 0.00 -0.50 0.00 0.00 54.79 51.48 1d6t n ASP 92 Cb 0.29 -0.58 -0.08 0.00 -1.14 0.00 0.00 41.12 39.62 1d6t n ASP 92 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1d6t s MET 93 N -1.94 2.78 0.13 0.11 1.75 0.56 -5.12 119.30 117.57 1d6t s MET 93 Ca 0.48 -0.68 0.09 0.00 -1.25 0.00 0.00 55.69 54.32 1d6t s MET 93 Cb 0.32 -2.67 -0.04 0.00 2.84 0.00 0.00 34.83 35.27 1d6t s MET 93 CO 0.22 0.59 -0.16 0.95 -0.65 0.00 0.00 175.02 175.97 1d6t s THR 94 N -1.25 2.97 0.64 10.11 -4.23 -1.26 -4.98 115.64 117.64 1d6t s THR 94 Ca 0.25 -1.50 0.21 0.00 -1.18 0.00 0.00 61.69 59.46 1d6t s THR 94 Cb -0.12 -2.39 0.24 0.00 1.34 0.00 0.00 72.50 71.58 1d6t s THR 94 CO 0.16 0.06 1.56 0.74 -0.54 0.00 0.00 174.62 176.61 1d6t h THR 95 N 3.37 0.07 -0.35 3.99 2.02 -1.99 1.54 112.91 121.56 1d6t h THR 95 Ca -0.49 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.54 1d6t h THR 95 Cb 1.17 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1d6t h THR 95 CO 0.48 0.00 -0.37 0.25 0.37 0.00 0.00 175.52 176.25 1d6t h LEU 96 N 0.00 0.87 0.17 2.58 7.12 -1.99 -3.07 115.31 121.00 1d6t h LEU 96 Ca 0.11 -0.39 -0.30 0.00 0.13 0.00 0.00 57.88 57.43 1d6t h LEU 96 Cb 1.47 -0.25 0.02 0.00 -0.53 0.00 0.00 40.66 41.37 1d6t h LEU 96 CO -0.00 1.15 -1.36 1.56 -0.13 0.00 0.00 178.44 179.66 1d6t h GLN 97 N 0.68 0.37 -1.10 1.25 4.20 0.17 -3.18 115.11 117.50 1d6t h GLN 97 Ca 0.06 -0.63 0.30 0.00 0.06 0.00 0.00 58.65 58.44 1d6t h GLN 97 Cb 0.93 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.87 1d6t h GLN 97 CO 0.09 1.29 0.74 0.82 -0.67 0.00 0.00 178.83 181.10 1d6t h ILE 98 N 0.10 0.46 0.12 2.54 2.04 -1.08 1.72 117.51 123.41 1d6t h ILE 98 Ca -0.19 -0.07 -0.29 0.00 1.00 0.00 0.00 64.86 65.31 1d6t h ILE 98 Cb 2.05 0.23 0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1d6t h ILE 98 CO 0.23 0.04 -1.22 1.56 0.00 0.00 0.00 178.15 178.76 1d6t h GLN 99 N 0.22 0.50 -0.24 2.37 4.20 -1.56 -1.54 115.11 119.06 1d6t h GLN 99 Ca 0.59 -0.70 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 1d6t h GLN 99 Cb 1.84 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 29.85 1d6t h GLN 99 CO -0.18 1.30 -0.29 -0.91 -0.67 0.00 0.00 178.83 178.08 1d6t h ASN 100 N 0.21 0.67 -0.02 1.46 2.35 0.45 -2.34 115.58 118.36 1d6t h ASN 100 Ca -0.17 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1d6t h ASN 100 Cb 1.90 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 40.08 1d6t h ASN 100 CO 0.22 1.03 0.01 0.28 -1.65 0.00 0.00 177.43 177.32 1d6t h SER 101 N 0.33 0.03 -0.65 5.81 0.02 0.21 -2.17 113.55 117.13 1d6t h SER 101 Ca 0.03 -0.18 0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1d6t h SER 101 Cb 0.86 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1d6t h SER 101 CO 0.07 0.21 0.46 -0.07 -1.14 0.00 0.00 176.83 176.35 1d6t h LEU 102 N -0.15 0.11 0.00 5.07 3.38 -1.28 1.60 115.31 124.05 1d6t h LEU 102 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1d6t h LEU 102 Cb 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1d6t h LEU 102 CO -0.00 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 1d6t n GLU 103 N -4.39 0.66 0.00 1.13 1.02 -0.82 -3.05 120.64 115.19 1d6t n GLU 103 Ca 0.13 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1d6t n GLU 103 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.02 0.00 -0.30 -0.32 -0.00 0.47 -4.45 115.22 109.60 1d6t n HIS 104 Ca 0.16 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.32 1d6t n HIS 104 Cb 0.08 0.13 0.02 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 -1.75 -0.43 -0.17 3.57 3.14 0.29 0.26 118.33 123.24 1d6t n VAL 105 Ca 0.00 1.83 -0.10 0.00 -2.96 0.00 0.00 64.34 63.11 1d6t n VAL 105 Cb 0.00 -2.39 0.00 0.00 -1.06 0.00 0.00 33.84 30.39 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 0.87 -1.60 6.55 5.85 -1.66 -1.94 115.31 123.38 1d6t h LEU 106 Ca 0.25 -0.32 0.16 0.00 0.84 0.00 0.00 57.88 58.81 1d6t h LEU 106 Cb 0.44 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1d6t h LEU 106 CO -0.76 0.98 0.70 0.50 -0.34 0.00 0.00 178.44 179.51 1d6t h LYS 107 N 0.74 0.00 0.14 1.25 3.64 0.35 0.98 116.57 123.66 1d6t h LYS 107 Ca 0.14 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.18 1d6t h LYS 107 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1d6t h LYS 107 CO 0.03 0.00 -1.76 0.82 -2.27 0.00 0.00 179.45 176.27 1d6t h ILE 108 N 0.00 0.83 -0.93 2.00 2.04 -0.08 -3.34 117.51 118.03 1d6t h ILE 108 Ca 0.25 -2.41 0.05 0.00 1.00 0.00 0.00 64.86 63.76 1d6t h ILE 108 Cb 1.65 2.63 -0.06 0.00 -0.74 0.00 0.00 36.82 40.30 1d6t h ILE 108 CO -0.00 0.82 0.60 0.00 0.00 0.00 0.00 178.15 179.57 1d6t h ALA 109 N 0.04 1.45 -1.63 1.87 0.00 0.12 -3.46 119.26 117.65 1d6t h ALA 109 Ca -0.37 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1d6t h ALA 109 Cb 1.97 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 19.48 1d6t h ALA 109 CO 0.10 0.43 -0.18 1.17 0.00 0.00 0.00 179.25 180.77 1d6t n LYS 110 N -4.47 -1.39 -0.15 0.00 4.81 0.78 -4.90 118.16 112.85 1d6t n LYS 110 Ca 0.13 0.28 0.08 0.00 -0.87 0.00 0.00 58.31 57.94 1d6t n LYS 110 Cb 0.15 -3.86 0.26 0.00 0.02 0.00 0.00 35.03 31.61 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 -3.66 0.39 -3.73 3.15 0.24 -1.26 -4.75 118.33 108.72 1d6t n VAL 111 Ca -0.04 -0.46 -0.22 0.00 -2.04 0.00 0.00 64.34 61.58 1d6t n VAL 111 Cb 0.54 0.35 -0.18 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.61 0.46 0.25 6.34 -0.71 -1.26 -2.25 117.98 119.20 1d6t s PHE 112 Ca 0.30 -0.03 0.01 0.00 -1.04 0.00 0.00 56.93 56.16 1d6t s PHE 112 Cb 0.16 -0.69 0.59 0.00 -1.21 0.00 0.00 43.02 41.86 1d6t s PHE 112 CO 0.22 -0.29 1.27 0.09 -1.34 0.00 0.00 175.22 175.18 1d6t n ASN 113 N 5.20 -0.12 0.00 1.98 3.02 -0.90 -4.78 115.26 119.66 1d6t n ASN 113 Ca -0.06 1.38 0.00 0.00 -0.03 0.00 0.00 54.58 55.88 1d6t n ASN 113 Cb 0.50 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1d6t n ASN 113 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1d6t n LYS 114 N -5.18 0.00 0.00 3.52 4.81 -1.26 -5.09 118.16 114.96 1d6t n LYS 114 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1d6t n LYS 114 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 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 0.00 -1.12 1.64 4.81 -1.26 -5.11 118.16 117.11 1d6t n LYS 115 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1d6t n LYS 115 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1d6t n ILE 116 N 0.00 0.96 0.04 3.15 2.08 -1.26 -5.22 119.36 119.11 1d6t n ILE 116 Ca 0.00 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 62.89 1d6t n ILE 116 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 38.91 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28