#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 -0.01 -7.02 4.03 6.46 -2.11 -3.48 115.31 113.18 1d6t h LEU 2 Ca 0.00 -0.84 -0.06 0.00 -0.12 0.00 0.00 57.88 56.86 1d6t h LEU 2 Cb 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 40.66 39.74 1d6t h LEU 2 CO 0.00 0.89 0.17 -0.22 -0.62 0.00 0.00 178.44 178.65 1d6t s LEU 3 N -8.36 -0.59 0.00 2.25 1.98 -1.26 -5.15 118.68 107.56 1d6t s LEU 3 Ca -0.17 0.71 0.00 0.00 -2.89 0.00 0.00 54.13 51.78 1d6t s LEU 3 Cb -0.02 2.48 0.00 0.00 0.66 0.00 0.00 46.19 49.30 1d6t s LEU 3 CO 0.62 -0.59 0.00 -0.62 -1.89 0.00 0.00 176.35 173.86 1d6t n GLU 4 N 0.97 0.91 0.00 1.98 -0.58 -1.26 -4.90 120.64 117.76 1d6t n GLU 4 Ca -0.19 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.57 1d6t n GLU 4 Cb 0.57 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.56 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 0.05 -1.32 3.49 2.85 -1.26 -4.76 118.16 117.22 1d6t n LYS 5 Ca 0.00 0.28 -0.07 0.00 -1.05 0.00 0.00 58.31 57.47 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 -1.34 -0.12 -1.74 0.58 0.00 -1.26 -2.43 120.51 114.20 1d6t n ALA 6 Ca 0.02 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 1d6t n ALA 6 Cb 0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.93 -0.25 -2.28 0.00 4.01 -1.26 -4.48 117.16 109.97 1d6t n TYR 7 Ca -0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.24 1d6t n TYR 7 Cb 0.28 -2.94 -0.02 0.00 -0.31 0.00 0.00 39.34 36.35 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 -3.82 4.04 -0.94 -0.72 0.52 -1.02 -2.48 118.95 114.52 1d6t s ARG 8 Ca 0.00 1.64 -0.22 0.00 -0.52 0.00 0.00 55.73 56.63 1d6t s ARG 8 Cb 0.00 -3.90 -0.25 0.00 0.52 0.00 0.00 34.95 31.33 1d6t s ARG 8 CO 0.00 -0.98 2.45 -0.89 0.02 0.00 0.00 175.30 175.91 1d6t n ILE 9 N 5.85 -0.01 0.31 1.52 2.08 0.25 -4.62 119.36 124.74 1d6t n ILE 9 Ca 0.16 -0.29 0.08 0.00 0.56 0.00 0.00 62.75 63.26 1d6t n ILE 9 Cb 0.45 -0.61 0.14 0.00 -0.75 0.00 0.00 39.64 38.86 1d6t n ILE 9 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1d6t n LYS 10 N 7.45 1.95 -5.01 0.38 5.02 -1.26 -4.75 118.16 121.94 1d6t n LYS 10 Ca 0.63 -1.85 -0.32 0.00 -2.02 0.00 0.00 58.31 54.75 1d6t n LYS 10 Cb 0.14 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 33.65 1d6t n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1d6t s LYS 11 N -1.25 2.22 0.05 1.97 -0.14 -1.26 -5.05 119.74 116.29 1d6t s LYS 11 Ca 0.26 -0.87 -0.36 0.00 -1.36 0.00 0.00 55.97 53.64 1d6t s LYS 11 Cb 0.16 -2.19 -0.20 0.00 -1.68 0.00 0.00 37.83 33.92 1d6t s LYS 11 CO 0.22 0.58 1.50 -0.91 -0.76 0.00 0.00 175.35 175.98 1d6t h ASN 12 N 5.21 -1.09 -0.62 2.83 4.21 -1.99 -2.44 115.58 121.69 1d6t h ASN 12 Ca -0.45 0.04 0.10 0.00 1.21 0.00 0.00 56.30 57.20 1d6t h ASN 12 Cb 1.14 0.28 -0.12 0.00 -1.12 0.00 0.00 38.32 38.51 1d6t h ASN 12 CO 0.48 -0.76 -0.37 0.00 -1.29 0.00 0.00 177.43 175.49 1d6t h ALA 13 N -1.32 -0.12 -1.26 -0.83 0.00 -1.96 1.62 119.26 115.39 1d6t h ALA 13 Ca -0.13 0.16 0.37 0.00 0.00 0.00 0.00 54.91 55.30 1d6t h ALA 13 Cb 0.99 0.87 -0.09 0.00 0.00 0.00 0.00 17.79 19.55 1d6t h ALA 13 CO 0.22 -0.72 0.85 -0.44 0.00 0.00 0.00 179.25 179.16 1d6t h ASP 14 N -0.17 0.21 0.14 0.00 3.32 -1.96 1.62 116.42 119.58 1d6t h ASP 14 Ca 0.22 0.06 -0.28 0.00 0.02 0.00 0.00 57.03 57.06 1d6t h ASP 14 Cb 0.56 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.15 1d6t h ASP 14 CO -0.71 -0.02 -1.37 0.15 -1.72 0.00 0.00 179.24 175.57 1d6t h PHE 15 N 0.15 0.55 0.00 4.55 3.04 0.24 -3.32 116.94 122.14 1d6t h PHE 15 Ca 0.68 -0.40 -0.05 0.00 3.98 0.00 0.00 57.97 62.18 1d6t h PHE 15 Cb 2.27 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 40.75 1d6t h PHE 15 CO -0.00 1.53 -0.23 -0.56 -2.02 0.00 0.00 178.31 177.03 1d6t h GLN 16 N -0.21 0.00 -1.00 1.11 -0.00 0.51 -2.27 115.11 113.24 1d6t h GLN 16 Ca -0.28 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.38 1d6t h GLN 16 Cb 1.83 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 29.26 1d6t h GLN 16 CO 0.11 0.23 0.66 0.00 -0.00 0.00 0.00 178.83 179.83 1d6t h ARG 17 N 0.00 1.32 0.17 0.06 3.08 0.20 -1.10 114.38 118.11 1d6t h ARG 17 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1d6t h ARG 17 Cb 0.41 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1d6t h ARG 17 CO 0.03 0.88 -0.08 0.82 -1.07 0.00 0.00 179.97 180.55 1d6t h ILE 18 N 1.36 0.00 -0.80 2.04 1.08 -1.51 -1.71 117.51 117.97 1d6t h ILE 18 Ca 0.37 -0.04 0.23 0.00 -0.39 0.00 0.00 64.86 65.03 1d6t h ILE 18 Cb -0.15 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.57 1d6t h ILE 18 CO -0.08 0.00 0.95 1.88 -0.69 0.00 0.00 178.15 180.21 1d6t h TYR 19 N -0.27 0.00 0.00 1.37 -1.99 -1.49 -0.41 116.97 114.18 1d6t h TYR 19 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1d6t h TYR 19 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1d6t h TYR 19 CO 0.15 0.00 0.00 1.17 -0.00 0.00 0.00 178.16 179.48 1d6t n LYS 20 N -3.37 0.00 -0.34 4.88 3.00 -0.42 -3.74 118.16 118.16 1d6t n LYS 20 Ca 0.17 0.36 0.16 0.00 -0.00 0.00 0.00 58.31 59.00 1d6t n LYS 20 Cb 1.21 -1.06 0.31 0.00 0.00 0.00 0.00 35.03 35.48 1d6t n LYS 20 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1d6t h LYS 21 N 0.00 0.01 -2.55 1.64 1.79 -0.31 -3.47 116.57 113.69 1d6t h LYS 21 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1d6t h LYS 21 Cb 0.00 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1d6t h LYS 21 CO 0.00 0.01 -0.17 0.41 -1.08 0.00 0.00 179.45 178.61 1d6t n GLY 22 N -1.48 -3.31 0.00 3.86 0.00 -0.28 -5.08 105.19 98.91 1d6t n GLY 22 Ca 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1d6t n GLY 22 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1d6t n HIS 23 N 0.30 0.00 -4.12 1.61 -0.00 -1.26 -5.04 115.22 106.70 1d6t n HIS 23 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.49 1d6t n HIS 23 Cb 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.95 1d6t n HIS 23 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1d6t s SER 24 N 0.00 5.02 -0.04 0.26 1.04 -1.26 -2.63 113.70 116.10 1d6t s SER 24 Ca 0.00 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 55.92 1d6t s SER 24 Cb 0.00 -1.04 0.03 0.00 0.10 0.00 0.00 66.02 65.11 1d6t s SER 24 CO 0.00 -0.12 0.02 0.68 0.98 0.00 0.00 173.24 174.79 1d6t s VAL 25 N -2.27 0.14 -0.14 5.02 -7.23 0.62 -4.93 120.40 111.61 1d6t s VAL 25 Ca 0.35 0.18 -0.04 0.00 -1.81 0.00 0.00 61.98 60.66 1d6t s VAL 25 Cb -0.06 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1d6t s VAL 25 CO 0.23 0.18 -0.02 0.00 -0.31 0.00 0.00 175.10 175.18 1d6t s ALA 26 N 1.49 3.12 0.00 1.32 0.00 -1.26 -0.57 121.76 125.86 1d6t s ALA 26 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1d6t s ALA 26 Cb -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1d6t s ALA 26 CO -0.03 0.30 0.00 0.27 0.00 0.00 0.00 175.76 176.30 1d6t n ASN 27 N 3.20 0.00 0.00 0.00 6.94 0.49 -4.94 115.26 120.95 1d6t n ASN 27 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 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 -1.14 -1.03 0.00 0.00 177.26 175.09 1d6t n ARG 28 N 0.00 0.00 -1.19 -3.83 0.00 -1.26 -3.89 116.66 106.49 1d6t n ARG 28 Ca 0.00 0.75 0.01 0.00 -0.00 0.00 0.00 57.85 58.61 1d6t n ARG 28 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.32 1d6t n ARG 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1d6t n GLN 29 N -2.65 0.00 -4.15 -0.14 -0.00 -1.26 -5.06 117.38 104.12 1d6t n GLN 29 Ca 0.00 -1.57 -0.16 0.00 -0.00 0.00 0.00 57.00 55.27 1d6t n GLN 29 Cb 0.00 -0.02 -0.11 0.00 -0.00 0.00 0.00 30.24 30.10 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 0.00 1.03 0.01 2.61 5.36 -1.25 -1.74 117.98 124.00 1d6t s PHE 30 Ca 0.21 -0.53 0.02 0.00 -0.96 0.00 0.00 56.93 55.67 1d6t s PHE 30 Cb 0.24 -0.58 -0.01 0.00 -0.34 0.00 0.00 43.02 42.33 1d6t s PHE 30 CO -0.10 0.01 -0.07 0.14 -1.46 0.00 0.00 175.22 173.74 1d6t s VAL 31 N -1.65 0.50 -0.05 3.12 -7.23 -0.35 0.18 120.40 114.91 1d6t s VAL 31 Ca -0.02 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 1d6t s VAL 31 Cb -0.08 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.40 1d6t s VAL 31 CO 0.01 -0.01 -0.15 0.68 -0.31 0.00 0.00 175.10 175.32 1d6t s VAL 32 N -0.49 1.30 -0.12 1.32 -7.23 0.27 0.26 120.40 115.70 1d6t s VAL 32 Ca -0.01 -0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1d6t s VAL 32 Cb -0.04 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1d6t s VAL 32 CO 0.00 0.38 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.78 1d6t s TYR 33 N 0.28 2.91 0.32 2.82 1.51 0.64 -0.27 117.35 125.56 1d6t s TYR 33 Ca -0.08 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 1d6t s TYR 33 Cb -0.13 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 1d6t s TYR 33 CO 0.03 0.01 0.20 0.95 -1.11 0.00 0.00 175.55 175.64 1d6t s THR 34 N 0.00 0.19 -0.00 -0.71 -4.23 -1.08 -0.58 115.64 109.22 1d6t s THR 34 Ca -0.01 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1d6t s THR 34 Cb -0.14 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1d6t s THR 34 CO 0.03 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.12 1d6t n ASN 36 N 0.42 1.42 0.00 0.00 6.94 -1.26 -4.01 115.26 118.76 1d6t n ASN 36 Ca -0.02 0.13 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 1d6t n ASN 36 Cb 0.03 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 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 -3.51 0.00 -2.85 0.53 5.15 -1.26 -4.56 115.26 108.76 1d6t n ASN 37 Ca -0.28 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.60 1d6t n ASN 37 Cb 0.72 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.98 1d6t n ASN 37 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1d6t n LYS 38 N 0.00 0.65 -3.16 1.20 4.81 -1.26 -5.09 118.16 115.32 1d6t n LYS 38 Ca 0.00 -2.11 0.06 0.00 -0.87 0.00 0.00 58.31 55.39 1d6t n LYS 38 Cb 0.00 -1.45 -0.02 0.00 0.02 0.00 0.00 35.03 33.57 1d6t n LYS 38 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1d6t s GLU 39 N 0.49 0.05 0.06 1.64 2.12 -1.26 -5.18 118.70 116.61 1d6t s GLU 39 Ca 0.32 0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.70 1d6t s GLU 39 Cb 0.14 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 1d6t s GLU 39 CO -0.17 -0.05 0.04 -1.50 -0.54 0.00 0.00 175.26 173.05 1d6t s ILE 40 N 2.86 0.18 -0.30 -3.70 1.10 -1.26 -4.83 121.20 115.26 1d6t s ILE 40 Ca -0.08 -1.52 0.16 0.00 -0.51 0.00 0.00 60.65 58.70 1d6t s ILE 40 Cb -0.07 -1.35 0.48 0.00 0.15 0.00 0.00 42.46 41.66 1d6t s ILE 40 CO -0.09 -0.84 1.10 -0.90 -2.11 0.00 0.00 174.94 172.11 1d6t n ASP 41 N 0.20 2.74 0.00 4.50 5.68 -1.26 -4.93 116.55 123.48 1d6t n ASP 41 Ca -0.15 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.37 1d6t n ASP 41 Cb 0.61 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1d6t n ASP 41 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1d6t n HIS 42 N -0.52 0.00 0.00 2.11 8.25 -1.26 -4.91 115.22 118.90 1d6t n HIS 42 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1d6t n HIS 42 Cb 0.83 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.94 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 0.00 -4.19 4.41 1.16 -1.26 0.16 117.46 117.74 1d6t n PHE 43 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.47 1d6t n PHE 43 Cb 0.00 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 37.83 1d6t n PHE 43 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1d6t n ARG 44 N -0.24 0.50 -3.15 3.97 3.00 -1.26 -4.55 116.66 114.92 1d6t n ARG 44 Ca 0.00 -1.66 0.05 0.00 -0.01 0.00 0.00 57.85 56.23 1d6t n ARG 44 Cb 0.00 1.11 -0.01 0.00 0.00 0.00 0.00 32.46 33.56 1d6t n ARG 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1d6t s LEU 45 N 0.00 -0.88 -0.00 0.55 1.43 -1.04 -4.43 118.68 114.31 1d6t s LEU 45 Ca 0.14 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1d6t s LEU 45 Cb 0.01 1.66 -0.00 0.00 0.03 0.00 0.00 46.19 47.89 1d6t s LEU 45 CO 0.10 -0.16 -0.00 1.23 0.23 0.00 0.00 176.35 177.75 1d6t h GLY 46 N 7.84 0.00 -2.54 -3.19 0.00 -1.78 0.73 103.07 104.13 1d6t h GLY 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1d6t h GLY 46 CO 0.03 0.00 -0.23 1.39 0.00 0.00 0.00 176.54 177.73 1d6t n ILE 47 N -2.21 -4.74 -4.29 2.60 5.41 -1.25 -4.72 119.36 110.16 1d6t n ILE 47 Ca -0.00 0.77 -0.15 0.00 1.00 0.00 0.00 62.75 64.36 1d6t n ILE 47 Cb 0.00 -3.63 -0.10 0.00 -0.71 0.00 0.00 39.64 35.20 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 -0.14 1.14 -0.09 4.38 0.01 -0.92 -4.99 113.70 113.09 1d6t s SER 48 Ca 0.00 -1.33 -0.30 0.00 1.31 0.00 0.00 55.95 55.64 1d6t s SER 48 Cb 0.00 0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.46 1d6t s SER 48 CO 0.00 -0.69 0.68 -0.69 0.41 0.00 0.00 173.24 172.95 1d6t s VAL 49 N -3.75 0.00 0.35 3.43 1.01 -1.26 -3.28 120.40 116.89 1d6t s VAL 49 Ca 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 1d6t s VAL 49 Cb 0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1d6t s VAL 49 CO 0.11 -0.00 0.56 -0.55 0.00 0.00 0.00 175.10 175.22 1d6t s SER 50 N -0.91 6.31 0.00 3.32 0.15 -1.26 -4.98 113.70 116.33 1d6t s SER 50 Ca -0.09 0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.31 1d6t s SER 50 Cb -0.01 -2.05 0.56 0.00 -1.71 0.00 0.00 66.02 62.80 1d6t s SER 50 CO 0.08 -0.30 1.45 0.29 1.20 0.00 0.00 173.24 175.97 1d6t n LYS 51 N -1.72 1.46 0.12 5.44 5.02 -1.26 -3.71 118.16 123.51 1d6t n LYS 51 Ca -0.04 -1.03 0.12 0.00 -2.02 0.00 0.00 58.31 55.33 1d6t n LYS 51 Cb 0.56 -1.48 0.15 0.00 -0.02 0.00 0.00 35.03 34.24 1d6t n LYS 51 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1d6t h LYS 52 N 2.52 0.00 -0.04 1.97 1.57 -1.94 -3.36 116.57 117.29 1d6t h LYS 52 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1d6t h LYS 52 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1d6t h LYS 52 CO 0.00 0.00 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.62 1d6t h LEU 53 N 0.00 -0.59 0.00 2.94 3.38 -1.74 -3.49 115.31 115.81 1d6t h LEU 53 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1d6t h LEU 53 Cb 0.88 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1d6t h LEU 53 CO 0.00 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1d6t n GLY 54 N -1.15 -1.59 0.00 0.83 0.00 -1.26 -4.60 105.19 97.43 1d6t n GLY 54 Ca -0.02 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 0.30 0.03 1.61 3.02 -1.26 -5.03 115.26 113.93 1d6t n ASN 55 Ca 0.00 -0.73 0.07 0.00 -0.03 0.00 0.00 54.58 53.89 1d6t n ASN 55 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 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 2.39 0.30 5.41 0.00 -1.26 -3.86 120.51 120.49 1d6t n ALA 56 Ca 0.00 -0.51 0.17 0.00 0.00 0.00 0.00 53.44 53.09 1d6t n ALA 56 Cb 0.00 -0.86 0.93 0.00 0.00 0.00 0.00 19.45 19.53 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 0.36 0.13 0.00 3.04 -1.99 0.26 116.25 118.04 1d6t h VAL 57 Ca -0.09 -0.19 -0.33 0.00 -1.01 0.00 0.00 66.70 65.08 1d6t h VAL 57 Cb 1.25 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.66 1d6t h VAL 57 CO 0.01 0.03 -1.67 0.17 -1.01 0.00 0.00 177.57 175.10 1d6t h LEU 58 N 0.00 0.42 0.00 3.16 8.10 -1.89 -3.21 115.31 121.88 1d6t h LEU 58 Ca -0.00 -0.65 0.00 0.00 0.11 0.00 0.00 57.88 57.34 1d6t h LEU 58 Cb 0.13 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1d6t h LEU 58 CO 0.00 1.56 0.00 -2.11 -4.11 0.00 0.00 178.44 173.78 1d6t n ARG 59 N -3.45 0.18 -0.02 0.17 -4.01 -0.45 -1.23 116.66 107.84 1d6t n ARG 59 Ca -0.21 0.10 -0.06 0.00 -1.04 0.00 0.00 57.85 56.65 1d6t n ARG 59 Cb 1.05 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 28.84 1d6t n ARG 59 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 1d6t n ASN 60 N -1.37 0.71 0.02 2.89 3.02 -0.05 -3.09 115.26 117.39 1d6t n ASN 60 Ca 0.08 0.33 -0.13 0.00 -0.03 0.00 0.00 54.58 54.84 1d6t n ASN 60 Cb 0.20 0.21 -0.14 0.00 -0.61 0.00 0.00 39.78 39.45 1d6t n ASN 60 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1d6t h LYS 61 N 0.00 0.11 -0.28 3.52 3.64 -1.46 0.24 116.57 122.34 1d6t h LYS 61 Ca -0.29 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 58.78 1d6t h LYS 61 Cb 1.91 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.78 1d6t h LYS 61 CO 0.06 0.84 -0.35 0.82 -2.27 0.00 0.00 179.45 178.55 1d6t h ILE 62 N 0.03 1.29 0.19 2.00 2.04 -1.32 -0.74 117.51 120.99 1d6t h ILE 62 Ca -0.25 -1.49 -0.35 0.00 1.00 0.00 0.00 64.86 63.77 1d6t h ILE 62 Cb 1.98 1.45 0.01 0.00 -0.74 0.00 0.00 36.82 39.52 1d6t h ILE 62 CO 0.11 0.48 -1.71 0.07 0.00 0.00 0.00 178.15 177.09 1d6t h LYS 63 N 0.53 0.40 0.41 2.37 5.09 -1.65 -3.01 116.57 120.70 1d6t h LYS 63 Ca 0.05 -0.68 -0.02 0.00 0.09 0.00 0.00 60.65 60.10 1d6t h LYS 63 Cb 0.85 0.25 -0.01 0.00 0.10 0.00 0.00 32.23 33.43 1d6t h LYS 63 CO 0.07 1.33 -0.32 -0.09 -2.09 0.00 0.00 179.45 178.35 1d6t h ARG 64 N 0.08 -0.67 -0.55 0.07 2.43 -0.90 -1.20 114.38 113.64 1d6t h ARG 64 Ca -0.34 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.01 1d6t h ARG 64 Cb 2.08 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.76 1d6t h ARG 64 CO 0.18 -0.45 0.38 0.00 -1.51 0.00 0.00 179.97 178.57 1d6t h ALA 65 N -1.32 2.28 -0.85 2.80 0.00 -1.31 0.20 119.26 121.06 1d6t h ALA 65 Ca -0.05 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1d6t h ALA 65 Cb 0.58 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1d6t h ALA 65 CO 0.01 -0.42 0.53 0.82 0.00 0.00 0.00 179.25 180.19 1d6t h ILE 66 N 0.17 1.05 -0.49 0.00 2.04 -1.21 0.16 117.51 119.24 1d6t h ILE 66 Ca 0.26 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1d6t h ILE 66 Cb 0.79 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1d6t h ILE 66 CO -0.04 0.18 0.00 -1.14 0.00 0.00 0.00 178.15 177.15 1d6t n ARG 67 N -4.62 2.19 -0.00 2.37 0.63 0.56 -3.16 116.66 114.64 1d6t n ARG 67 Ca 0.12 -1.84 0.11 0.00 -0.92 0.00 0.00 57.85 55.32 1d6t n ARG 67 Cb 0.17 -1.41 -0.14 0.00 0.45 0.00 0.00 32.46 31.53 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 1.00 0.47 0.00 -0.14 2.13 0.50 -3.43 120.64 121.17 1d6t n GLU 68 Ca 0.17 -0.13 0.02 0.00 0.66 0.00 0.00 57.16 57.89 1d6t n GLU 68 Cb 0.44 -1.53 -0.00 0.00 0.27 0.00 0.00 31.44 30.62 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 -2.07 0.80 -0.10 4.31 2.85 -0.80 -4.57 115.26 115.68 1d6t n ASN 69 Ca -0.01 -0.90 -0.11 0.00 -0.11 0.00 0.00 54.58 53.44 1d6t n ASN 69 Cb 0.50 0.51 -0.15 0.00 1.24 0.00 0.00 39.78 41.88 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 -0.43 0.07 0.38 1.20 3.72 -1.19 -3.09 117.46 118.13 1d6t n PHE 70 Ca 0.02 0.02 0.05 0.00 -0.05 0.00 0.00 57.45 57.49 1d6t n PHE 70 Cb 0.10 -1.01 0.23 0.00 -0.94 0.00 0.00 39.48 37.86 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 0.02 -0.10 -1.08 2.85 -1.22 0.16 118.16 115.94 1d6t n LYS 71 Ca -0.34 0.30 -0.21 0.00 -1.05 0.00 0.00 58.31 57.01 1d6t n LYS 71 Cb 1.13 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.94 1d6t n LYS 71 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1d6t n VAL 72 N -1.47 1.08 1.88 0.58 3.14 -1.26 -4.43 118.33 117.84 1d6t n VAL 72 Ca 0.03 -0.28 0.15 0.00 -2.96 0.00 0.00 64.34 61.29 1d6t n VAL 72 Cb 0.12 -1.75 0.90 0.00 -1.06 0.00 0.00 33.84 32.04 1d6t n VAL 72 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1d6t n HIS 73 N -3.86 0.00 -0.39 1.45 8.25 -1.12 -3.81 115.22 115.74 1d6t n HIS 73 Ca -0.39 0.00 0.32 0.00 -0.26 0.00 0.00 57.72 57.39 1d6t n HIS 73 Cb 0.78 -0.03 0.59 0.00 1.12 0.00 0.00 29.99 32.44 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 0.14 0.00 -0.41 3.64 0.13 2.28 116.57 122.35 1d6t h LYS 74 Ca 0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1d6t h LYS 74 Cb 0.03 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1d6t h LYS 74 CO 0.00 0.09 -1.37 0.77 -2.27 0.00 0.00 179.45 176.68 1d6t h SER 75 N 0.15 0.00 -0.31 4.20 0.02 -1.82 -3.34 113.55 112.44 1d6t h SER 75 Ca 0.79 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.68 1d6t h SER 75 Cb 2.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.76 1d6t h SER 75 CO -0.53 0.70 -0.05 0.45 -1.14 0.00 0.00 176.83 176.26 1d6t h HIS 76 N 0.00 0.64 -3.85 3.45 3.86 0.31 -3.44 115.15 116.13 1d6t h HIS 76 Ca -0.17 -0.13 -0.54 0.00 -1.16 0.00 0.00 60.37 58.37 1d6t h HIS 76 Cb 1.68 -0.16 0.19 0.00 1.06 0.00 0.00 27.41 30.18 1d6t h HIS 76 CO 0.00 0.75 0.04 -0.89 0.86 0.00 0.00 177.93 178.69 1d6t n ILE 77 N -4.50 1.81 -4.30 2.45 -0.00 0.31 -3.32 119.36 111.82 1d6t n ILE 77 Ca -0.03 -0.26 -0.26 0.00 -0.00 0.00 0.00 62.75 62.20 1d6t n ILE 77 Cb 0.30 -1.02 -0.08 0.00 -0.00 0.00 0.00 39.64 38.84 1d6t n ILE 77 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1d6t s LEU 78 N -3.67 2.98 -0.36 1.39 -0.00 -1.24 -4.89 118.68 112.88 1d6t s LEU 78 Ca 0.70 -1.21 -0.27 0.00 -0.00 0.00 0.00 54.13 53.35 1d6t s LEU 78 Cb -0.30 -1.23 -0.05 0.00 -0.00 0.00 0.00 46.19 44.61 1d6t s LEU 78 CO 0.54 -0.56 2.20 0.00 -0.00 0.00 0.00 176.35 178.53 1d6t s ALA 79 N -2.66 2.31 0.00 1.48 0.00 0.42 -4.13 121.76 119.18 1d6t s ALA 79 Ca 0.37 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1d6t s ALA 79 Cb 0.05 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1d6t s ALA 79 CO 0.20 -3.46 0.00 1.17 0.00 0.00 0.00 175.76 173.67 1d6t n LYS 80 N 8.84 0.00 -1.12 0.00 3.00 -1.26 -4.90 118.16 122.73 1d6t n LYS 80 Ca 0.30 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 58.18 1d6t n LYS 80 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.46 1d6t n LYS 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1d6t n ASP 81 N 0.00 0.50 -4.15 3.14 -0.08 -1.26 -4.47 116.55 110.22 1d6t n ASP 81 Ca 0.00 0.80 -0.22 0.00 -1.51 0.00 0.00 54.79 53.86 1d6t n ASP 81 Cb 0.00 -0.61 -0.14 0.00 2.34 0.00 0.00 41.12 42.71 1d6t n ASP 81 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1d6t s ILE 82 N 1.24 1.23 -0.28 5.18 -1.16 -1.26 -3.51 121.20 122.65 1d6t s ILE 82 Ca 0.67 -0.89 -0.02 0.00 -0.51 0.00 0.00 60.65 59.90 1d6t s ILE 82 Cb -0.95 -1.07 0.16 0.00 0.61 0.00 0.00 42.46 41.21 1d6t s ILE 82 CO 0.49 0.17 0.52 -0.63 -2.81 0.00 0.00 174.94 172.67 1d6t s ILE 83 N -0.64 -0.85 -0.17 2.00 1.01 0.25 -2.47 121.20 120.33 1d6t s ILE 83 Ca 0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 1d6t s ILE 83 Cb -0.07 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 1d6t s ILE 83 CO 0.01 -0.04 0.23 0.68 0.00 0.00 0.00 174.94 175.81 1d6t s VAL 84 N 2.74 5.35 0.33 2.92 -7.23 -1.26 0.23 120.40 123.49 1d6t s VAL 84 Ca 0.16 0.41 0.10 0.00 -1.81 0.00 0.00 61.98 60.84 1d6t s VAL 84 Cb -0.15 -3.56 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 1d6t s VAL 84 CO -0.19 0.42 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.28 1d6t s ILE 85 N 0.34 2.29 -0.40 -0.62 -1.09 0.72 -2.16 121.20 120.27 1d6t s ILE 85 Ca 0.13 -2.25 -0.16 0.00 -2.23 0.00 0.00 60.65 56.14 1d6t s ILE 85 Cb -0.12 -2.57 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1d6t s ILE 85 CO 0.02 -0.25 0.39 0.00 -1.23 0.00 0.00 174.94 173.87 1d6t s ALA 86 N -2.59 3.45 0.00 9.38 0.00 -1.21 -1.21 121.76 129.59 1d6t s ALA 86 Ca 0.32 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1d6t s ALA 86 Cb 0.01 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1d6t s ALA 86 CO 0.16 -1.43 0.58 0.54 0.00 0.00 0.00 175.76 175.61 1d6t n ARG 87 N 5.46 0.00 0.00 0.00 5.12 -0.71 -4.34 116.66 122.19 1d6t n ARG 87 Ca -0.08 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1d6t n ARG 87 Cb 0.48 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.85 1d6t n ARG 87 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1d6t n GLN 88 N -2.07 0.00 0.00 5.56 -0.06 -1.26 -4.88 117.38 114.66 1d6t n GLN 88 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 57.00 55.06 1d6t n GLN 88 Cb 0.00 0.00 0.36 0.00 -4.06 0.00 0.00 30.24 26.54 1d6t n GLN 88 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1d6t n PRO 89 N 0.00 0.75 -0.46 3.69 -0.04 -1.26 -2.81 135.00 134.88 1d6t n PRO 89 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1d6t n PRO 89 Cb 0.00 -1.25 0.22 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.75 3.15 0.52 0.55 0.00 -1.26 -4.04 120.51 118.67 1d6t n ALA 90 Ca 0.09 -1.01 0.07 0.00 0.00 0.00 0.00 53.44 52.59 1d6t n ALA 90 Cb 0.04 -1.06 0.30 0.00 0.00 0.00 0.00 19.45 18.74 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 0.40 0.06 -1.05 0.00 -0.00 -1.12 -1.64 118.16 114.80 1d6t n LYS 91 Ca 0.15 0.24 0.02 0.00 -0.00 0.00 0.00 58.31 58.72 1d6t n LYS 91 Cb 0.71 -1.50 0.14 0.00 -0.00 0.00 0.00 35.03 34.38 1d6t n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1d6t n ASP 92 N -1.44 1.85 -2.04 -5.58 2.03 -1.26 -4.85 116.55 105.27 1d6t n ASP 92 Ca 0.04 -3.36 -0.00 0.00 0.52 0.00 0.00 54.79 51.99 1d6t n ASP 92 Cb 0.14 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1d6t n ASP 92 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1d6t n MET 93 N -0.67 0.40 -3.56 -0.67 2.81 -0.65 -5.13 117.12 109.65 1d6t n MET 93 Ca 0.18 -0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.92 1d6t n MET 93 Cb 0.83 -0.02 -0.04 0.00 -0.71 0.00 0.00 33.22 33.29 1d6t n MET 93 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1d6t s THR 94 N -0.21 0.04 0.32 2.03 -4.23 -1.26 -4.99 115.64 107.33 1d6t s THR 94 Ca 0.01 -0.38 0.21 0.00 -1.18 0.00 0.00 61.69 60.35 1d6t s THR 94 Cb -0.00 -1.12 0.21 0.00 1.34 0.00 0.00 72.50 72.93 1d6t s THR 94 CO 0.01 -0.20 1.59 0.74 -0.54 0.00 0.00 174.62 176.22 1d6t h THR 95 N 2.24 0.00 0.01 3.99 2.02 -1.99 0.58 112.91 119.76 1d6t h THR 95 Ca -0.34 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1d6t h THR 95 Cb 1.27 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1d6t h THR 95 CO 0.44 0.00 -0.18 0.25 0.37 0.00 0.00 175.52 176.39 1d6t h LEU 96 N 0.00 0.05 -0.76 2.58 7.12 -1.97 -3.03 115.31 119.30 1d6t h LEU 96 Ca 0.00 -0.96 -0.13 0.00 0.13 0.00 0.00 57.88 56.92 1d6t h LEU 96 Cb 0.63 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.73 1d6t h LEU 96 CO 0.00 1.08 -0.49 1.56 -0.13 0.00 0.00 178.44 180.46 1d6t h GLN 97 N -0.94 0.32 0.19 1.25 4.20 -1.00 -2.09 115.11 117.04 1d6t h GLN 97 Ca -0.04 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1d6t h GLN 97 Cb 1.09 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1d6t h GLN 97 CO -0.00 0.74 -0.16 0.82 -0.67 0.00 0.00 178.83 179.56 1d6t h ILE 98 N 0.25 0.65 -0.69 2.54 2.04 -0.13 0.21 117.51 122.39 1d6t h ILE 98 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1d6t h ILE 98 Cb 0.96 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1d6t h ILE 98 CO 0.08 0.00 0.33 1.56 0.00 0.00 0.00 178.15 180.12 1d6t h GLN 99 N -0.37 0.98 -0.11 2.37 4.20 -1.48 -0.91 115.11 119.79 1d6t h GLN 99 Ca -0.01 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1d6t h GLN 99 Cb 0.33 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1d6t h GLN 99 CO -0.02 0.75 -0.12 -0.91 -0.67 0.00 0.00 178.83 177.86 1d6t h ASN 100 N 0.97 0.16 -0.14 1.46 2.35 -0.76 -2.46 115.58 117.17 1d6t h ASN 100 Ca 0.24 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1d6t h ASN 100 Cb 0.10 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1d6t h ASN 100 CO -0.03 0.31 -0.11 0.28 -1.65 0.00 0.00 177.43 176.22 1d6t h SER 101 N 0.17 0.34 -0.43 5.81 0.02 0.75 -2.69 113.55 117.52 1d6t h SER 101 Ca 0.04 -0.46 0.12 0.00 -0.84 0.00 0.00 61.79 60.65 1d6t h SER 101 Cb 0.32 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1d6t h SER 101 CO 0.02 0.73 0.40 -0.07 -1.14 0.00 0.00 176.83 176.77 1d6t h LEU 102 N -0.04 0.00 0.00 5.07 4.07 -0.89 1.41 115.31 124.93 1d6t h LEU 102 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1d6t h LEU 102 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1d6t h LEU 102 CO 0.03 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.77 1d6t n GLU 103 N -3.89 0.46 0.00 1.13 -0.58 -1.02 -2.56 120.64 114.18 1d6t n GLU 103 Ca 0.08 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1d6t n GLU 103 Cb 0.59 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 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 -1.12 0.00 -0.33 -0.32 -0.00 0.44 -4.46 115.22 109.44 1d6t n HIS 104 Ca 0.12 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.26 1d6t n HIS 104 Cb 0.10 0.17 -0.01 0.00 -0.12 0.00 0.00 29.99 30.13 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 -0.48 -0.09 3.57 3.14 0.13 0.18 118.33 123.03 1d6t n VAL 105 Ca 0.00 1.97 -0.13 0.00 -2.96 0.00 0.00 64.34 63.22 1d6t n VAL 105 Cb 0.00 -2.54 -0.01 0.00 -1.06 0.00 0.00 33.84 30.23 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 0.94 -1.99 6.55 5.85 -1.66 -2.36 115.31 122.63 1d6t h LEU 106 Ca 0.23 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1d6t h LEU 106 Cb 0.44 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1d6t h LEU 106 CO -0.81 1.24 0.35 0.07 -0.34 0.00 0.00 178.44 178.95 1d6t h LYS 107 N 0.69 0.00 0.06 1.25 2.10 0.22 0.62 116.57 121.51 1d6t h LYS 107 Ca 0.04 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.35 1d6t h LYS 107 Cb 1.04 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.33 1d6t h LYS 107 CO 0.10 0.00 -1.96 -0.89 -2.00 0.00 0.00 179.45 174.71 1d6t n ILE 108 N -3.04 1.67 -0.27 0.07 5.41 0.19 -4.05 119.36 119.34 1d6t n ILE 108 Ca -0.00 -0.71 0.02 0.00 1.00 0.00 0.00 62.75 63.05 1d6t n ILE 108 Cb 0.42 -1.38 0.23 0.00 -0.71 0.00 0.00 39.64 38.21 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 0.46 1.47 0.00 -1.39 0.00 0.62 -3.46 119.26 116.97 1d6t h ALA 109 Ca -0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1d6t h ALA 109 Cb 2.03 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1d6t h ALA 109 CO 0.07 0.44 0.00 1.17 0.00 0.00 0.00 179.25 180.93 1d6t n LYS 110 N -4.45 0.00 -0.60 0.00 4.81 -0.27 -4.93 118.16 112.73 1d6t n LYS 110 Ca 0.11 0.10 -0.04 0.00 -0.87 0.00 0.00 58.31 57.61 1d6t n LYS 110 Cb 0.11 -3.34 0.17 0.00 0.02 0.00 0.00 35.03 31.99 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 -3.59 1.88 -3.70 3.15 0.24 -1.25 -4.75 118.33 110.31 1d6t n VAL 111 Ca 0.00 -0.93 -0.23 0.00 -2.04 0.00 0.00 64.34 61.14 1d6t n VAL 111 Cb 0.36 -0.52 -0.17 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.94 0.40 0.32 6.34 -0.71 -1.26 -3.65 117.98 117.47 1d6t s PHE 112 Ca 0.32 -0.12 0.04 0.00 -1.04 0.00 0.00 56.93 56.12 1d6t s PHE 112 Cb 0.25 -0.69 0.81 0.00 -1.21 0.00 0.00 43.02 42.18 1d6t s PHE 112 CO 0.08 -0.35 1.57 -0.91 -1.34 0.00 0.00 175.22 174.27 1d6t h ASN 113 N 8.38 -0.43 0.00 1.98 2.35 -1.84 -3.45 115.58 122.56 1d6t h ASN 113 Ca -0.16 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1d6t h ASN 113 Cb 1.13 0.48 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1d6t h ASN 113 CO 0.23 -0.37 0.00 1.17 -1.65 0.00 0.00 177.43 176.81 1d6t n LYS 114 N -5.48 0.00 -2.73 0.81 4.81 -1.26 -5.08 118.16 109.23 1d6t n LYS 114 Ca 0.25 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.69 1d6t n LYS 114 Cb 0.81 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.88 1d6t n LYS 114 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1d6t s LYS 115 N 0.00 0.14 0.45 1.64 2.20 -1.26 -5.15 119.74 117.77 1d6t s LYS 115 Ca 0.00 -0.07 -0.24 0.00 -0.36 0.00 0.00 55.97 55.30 1d6t s LYS 115 Cb 0.00 0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 36.26 1d6t s LYS 115 CO 0.00 -0.20 1.31 0.42 -0.36 0.00 0.00 175.35 176.52 1d6t s ILE 116 N 1.76 2.51 -2.00 5.43 1.01 -1.26 -5.28 121.20 123.37 1d6t s ILE 116 Ca 0.16 0.42 0.12 0.00 0.00 0.00 0.00 60.65 61.35 1d6t s ILE 116 Cb 0.06 -3.24 0.33 0.00 0.01 0.00 0.00 42.46 39.62 1d6t s ILE 116 CO -0.14 0.04 1.12 1.17 0.00 0.00 0.00 174.94 177.12