#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 -1.54 -4.53 4.03 4.77 -1.26 -4.90 117.00 113.57 1d6t n LEU 2 Ca 0.00 0.93 -0.29 0.00 -0.03 0.00 0.00 56.01 56.61 1d6t n LEU 2 Cb 0.00 -0.98 0.24 0.00 -2.33 0.00 0.00 43.42 40.35 1d6t n LEU 2 CO 0.00 -3.45 0.56 -1.48 -1.33 0.00 0.00 177.39 171.69 1d6t s LEU 3 N 3.17 0.57 0.00 2.23 2.34 -1.26 -5.05 118.68 120.68 1d6t s LEU 3 Ca 0.61 1.02 0.00 0.00 0.06 0.00 0.00 54.13 55.82 1d6t s LEU 3 Cb -0.70 -2.84 0.00 0.00 -0.56 0.00 0.00 46.19 42.09 1d6t s LEU 3 CO 0.60 -4.16 0.00 1.21 -1.06 0.00 0.00 176.35 172.94 1d6t n GLU 4 N -4.83 0.00 0.00 1.48 2.13 -1.26 -4.93 120.64 113.22 1d6t n GLU 4 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1d6t n GLU 4 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 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 -0.00 5.31 2.85 -1.26 -1.97 118.16 123.08 1d6t n LYS 5 Ca 0.00 0.24 0.22 0.00 -1.05 0.00 0.00 58.31 57.72 1d6t n LYS 5 Cb 0.00 -1.59 0.55 0.00 -0.65 0.00 0.00 35.03 33.34 1d6t n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d6t h ALA 6 N 1.45 2.42 0.00 0.58 0.00 -1.98 0.44 119.26 122.18 1d6t h ALA 6 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1d6t h ALA 6 Cb 0.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1d6t h ALA 6 CO 0.00 -1.15 0.49 1.88 0.00 0.00 0.00 179.25 180.47 1d6t h TYR 7 N 0.00 0.00 -2.75 0.00 0.05 -1.66 -3.13 116.97 109.48 1d6t h TYR 7 Ca 0.29 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.46 1d6t h TYR 7 Cb 1.95 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 39.55 1d6t h TYR 7 CO 0.00 0.00 -0.73 -0.98 -1.05 0.00 0.00 178.16 175.40 1d6t s ARG 8 N -3.75 1.98 0.00 4.88 1.70 0.16 0.33 118.95 124.25 1d6t s ARG 8 Ca -0.02 -1.41 0.00 0.00 -0.47 0.00 0.00 55.73 53.84 1d6t s ARG 8 Cb 0.05 -2.06 0.00 0.00 -0.57 0.00 0.00 34.95 32.37 1d6t s ARG 8 CO 0.15 0.40 0.00 -0.89 -1.08 0.00 0.00 175.30 173.88 1d6t n ILE 9 N -0.21 0.00 0.00 4.99 5.41 0.14 -4.44 119.36 125.24 1d6t n ILE 9 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1d6t n ILE 9 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 1d6t n ILE 9 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1d6t n LYS 10 N 0.00 0.00 -2.67 0.38 -0.00 -1.26 -5.00 118.16 109.60 1d6t n LYS 10 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1d6t n LYS 10 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 1d6t n LYS 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1d6t s LYS 11 N 0.00 4.55 0.09 -1.58 2.20 -1.26 -4.95 119.74 118.79 1d6t s LYS 11 Ca 0.00 1.47 -0.31 0.00 -0.36 0.00 0.00 55.97 56.78 1d6t s LYS 11 Cb 0.00 -3.44 -0.14 0.00 -1.51 0.00 0.00 37.83 32.74 1d6t s LYS 11 CO 0.00 -0.06 1.62 -0.97 -0.36 0.00 0.00 175.35 175.58 1d6t h ASN 12 N 6.71 -0.84 -0.50 1.43 -1.24 -1.98 -1.18 115.58 117.98 1d6t h ASN 12 Ca -0.41 0.06 0.10 0.00 0.71 0.00 0.00 56.30 56.76 1d6t h ASN 12 Cb 1.22 0.27 -0.08 0.00 0.73 0.00 0.00 38.32 40.46 1d6t h ASN 12 CO 0.76 -0.47 -0.01 0.00 -1.29 0.00 0.00 177.43 176.42 1d6t h ALA 13 N -0.23 0.47 0.00 1.57 0.00 -1.96 2.13 119.26 121.23 1d6t h ALA 13 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1d6t h ALA 13 Cb 0.62 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1d6t h ALA 13 CO -0.01 -0.39 0.13 0.22 0.00 0.00 0.00 179.25 179.19 1d6t h ASP 14 N 0.11 0.00 0.00 0.00 1.82 -1.84 0.85 116.42 117.36 1d6t h ASP 14 Ca 0.25 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.56 1d6t h ASP 14 Cb 0.38 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.33 1d6t h ASP 14 CO -0.43 0.00 -2.26 0.49 -1.61 0.00 0.00 179.24 175.43 1d6t n PHE 15 N -2.67 0.00 0.03 0.28 3.72 0.40 -4.30 117.46 114.92 1d6t n PHE 15 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 1d6t n PHE 15 Cb 0.17 -0.89 -0.03 0.00 -0.94 0.00 0.00 39.48 37.80 1d6t n PHE 15 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1d6t h GLN 16 N 0.00 0.56 -0.03 -1.08 -0.00 0.47 -0.15 115.11 114.88 1d6t h GLN 16 Ca -0.50 -0.49 0.01 0.00 -0.00 0.00 0.00 58.65 57.67 1d6t h GLN 16 Cb 2.01 0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 29.60 1d6t h GLN 16 CO -0.01 1.11 0.03 0.07 -0.00 0.00 0.00 178.83 180.03 1d6t h ARG 17 N 0.37 0.00 0.03 0.06 0.11 0.41 0.63 114.38 115.99 1d6t h ARG 17 Ca -0.05 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.77 1d6t h ARG 17 Cb 1.41 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.47 1d6t h ARG 17 CO 0.15 0.00 -1.41 0.82 0.10 0.00 0.00 179.97 179.63 1d6t h ILE 18 N 0.00 0.87 0.00 0.08 2.04 -1.71 -3.34 117.51 115.45 1d6t h ILE 18 Ca 0.01 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1d6t h ILE 18 Cb 0.07 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1d6t h ILE 18 CO -0.00 0.45 0.00 -1.22 0.00 0.00 0.00 178.15 177.38 1d6t n TYR 19 N -4.22 0.00 0.00 1.37 4.02 -0.08 -0.67 117.16 117.58 1d6t n TYR 19 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 1d6t n TYR 19 Cb 0.76 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 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 -1.48 0.00 -0.15 -0.72 4.81 0.22 -4.64 118.16 116.20 1d6t n LYS 20 Ca 0.03 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.48 1d6t n LYS 20 Cb 0.11 -0.89 0.02 0.00 0.02 0.00 0.00 35.03 34.30 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 -0.41 0.80 -0.62 1.64 5.02 -1.24 -5.10 118.16 118.25 1d6t n LYS 21 Ca 0.00 -1.17 -0.19 0.00 -2.02 0.00 0.00 58.31 54.92 1d6t n LYS 21 Cb 0.00 -0.76 0.12 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.33 -2.33 3.14 0.72 0.00 0.16 -4.95 105.19 101.60 1d6t n GLY 22 Ca 0.03 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.08 3.35 0.28 1.61 2.46 0.10 -4.99 115.29 116.03 1d6t s HIS 23 Ca 0.33 -2.11 -0.00 0.00 0.47 0.00 0.00 55.06 53.75 1d6t s HIS 23 Cb -0.04 -2.30 -0.04 0.00 -0.13 0.00 0.00 32.58 30.07 1d6t s HIS 23 CO 0.36 -0.85 0.49 -1.54 -2.47 0.00 0.00 174.74 170.73 1d6t s SER 24 N 1.28 6.35 -0.09 9.88 1.04 -1.26 -2.18 113.70 128.72 1d6t s SER 24 Ca -0.03 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.82 1d6t s SER 24 Cb -0.20 -2.03 0.05 0.00 0.10 0.00 0.00 66.02 63.93 1d6t s SER 24 CO -0.03 -0.18 0.18 0.68 0.98 0.00 0.00 173.24 174.87 1d6t s VAL 25 N -2.12 -0.18 -0.06 5.02 -7.23 -0.21 -4.97 120.40 110.64 1d6t s VAL 25 Ca 0.40 0.26 0.03 0.00 -1.81 0.00 0.00 61.98 60.85 1d6t s VAL 25 Cb -0.10 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 1d6t s VAL 25 CO 0.32 0.11 -0.12 0.00 -0.31 0.00 0.00 175.10 175.09 1d6t s ALA 26 N 1.79 2.73 0.00 1.32 0.00 -1.26 0.17 121.76 126.51 1d6t s ALA 26 Ca -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1d6t s ALA 26 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1d6t s ALA 26 CO -0.07 0.53 0.00 -1.71 0.00 0.00 0.00 175.76 174.51 1d6t n ASN 27 N 2.42 0.00 -0.00 0.00 5.15 0.23 -4.94 115.26 118.12 1d6t n ASN 27 Ca -0.17 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.77 1d6t n ASN 27 Cb 0.52 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.76 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 0.18 -0.23 1.20 1.74 -1.26 -4.87 116.66 113.42 1d6t n ARG 28 Ca 0.00 0.07 0.02 0.00 -0.77 0.00 0.00 57.85 57.17 1d6t n ARG 28 Cb 0.00 -0.82 0.03 0.00 -1.02 0.00 0.00 32.46 30.65 1d6t n ARG 28 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1d6t n GLN 29 N -3.81 0.62 -4.14 5.56 6.02 -1.26 -4.99 117.38 115.39 1d6t n GLN 29 Ca -0.06 -1.27 -0.16 0.00 -0.01 0.00 0.00 57.00 55.50 1d6t n GLN 29 Cb 0.21 -0.77 -0.15 0.00 1.02 0.00 0.00 30.24 30.55 1d6t n GLN 29 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1d6t s PHE 30 N -0.73 0.46 -0.04 1.08 2.19 -1.26 -0.18 117.98 119.51 1d6t s PHE 30 Ca 0.07 -0.09 0.04 0.00 0.33 0.00 0.00 56.93 57.28 1d6t s PHE 30 Cb 0.06 -0.32 -0.00 0.00 -1.31 0.00 0.00 43.02 41.44 1d6t s PHE 30 CO 0.01 -0.03 -0.16 0.14 1.83 0.00 0.00 175.22 177.01 1d6t s VAL 31 N 0.02 1.33 -0.19 3.12 -7.23 -0.08 -0.60 120.40 116.76 1d6t s VAL 31 Ca 0.00 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1d6t s VAL 31 Cb -0.04 -1.14 0.03 0.00 0.56 0.00 0.00 36.38 35.79 1d6t s VAL 31 CO -0.00 0.39 -0.18 0.68 -0.31 0.00 0.00 175.10 175.67 1d6t s VAL 32 N 0.00 2.11 -0.29 1.32 -7.23 0.13 0.95 120.40 117.39 1d6t s VAL 32 Ca -0.02 -1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.98 1d6t s VAL 32 Cb -0.10 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1d6t s VAL 32 CO 0.02 0.44 0.24 -0.31 -0.31 0.00 0.00 175.10 175.18 1d6t s TYR 33 N 1.26 3.23 0.20 2.82 1.51 0.65 -1.05 117.35 125.97 1d6t s TYR 33 Ca 0.03 0.15 -0.05 0.00 -1.01 0.00 0.00 57.07 56.18 1d6t s TYR 33 Cb -0.14 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1d6t s TYR 33 CO -0.11 -0.21 0.23 0.95 -1.11 0.00 0.00 175.55 175.30 1d6t s THR 34 N 1.84 0.02 -0.00 -0.71 -4.23 -0.93 0.15 115.64 111.78 1d6t s THR 34 Ca 0.09 -1.76 -0.28 0.00 -1.18 0.00 0.00 61.69 58.56 1d6t s THR 34 Cb -0.16 -2.29 0.10 0.00 1.34 0.00 0.00 72.50 71.49 1d6t s THR 34 CO 0.11 -0.09 1.27 0.00 -0.54 0.00 0.00 174.62 175.36 1d6t n ASN 36 N -1.02 0.31 0.00 0.00 4.13 -1.26 -3.01 115.26 114.41 1d6t n ASN 36 Ca 0.02 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1d6t n ASN 36 Cb 0.59 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1d6t n ASN 36 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1d6t n ASN 37 N -3.15 0.00 -2.61 6.41 2.85 -1.26 -2.91 115.26 114.58 1d6t n ASN 37 Ca -0.02 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.41 1d6t n ASN 37 Cb 0.40 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.52 1d6t n ASN 37 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1d6t n LYS 38 N 0.00 1.07 -0.89 1.20 3.00 -1.26 -5.12 118.16 116.16 1d6t n LYS 38 Ca 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 58.31 56.92 1d6t n LYS 38 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 35.03 35.15 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 -0.86 -2.52 -1.15 1.64 2.13 -1.15 -5.07 120.64 113.67 1d6t n GLU 39 Ca -0.10 1.83 0.00 0.00 0.66 0.00 0.00 57.16 59.54 1d6t n GLU 39 Cb 0.82 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1d6t n GLU 39 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1d6t n ILE 40 N -0.18 0.00 -0.94 6.31 0.13 -1.26 -5.06 119.36 118.37 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 0.00 -0.63 0.00 0.00 -0.84 0.00 0.00 39.64 38.17 1d6t n ILE 40 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1d6t n ASP 41 N -1.89 0.11 -3.59 9.51 -0.08 -1.26 -4.93 116.55 114.41 1d6t n ASP 41 Ca 0.00 -1.04 -0.07 0.00 -1.51 0.00 0.00 54.79 52.16 1d6t n ASP 41 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1d6t s HIS 42 N -0.04 -0.25 -1.03 -0.67 -3.43 -1.26 -4.65 115.29 103.96 1d6t s HIS 42 Ca 0.00 0.39 -0.02 0.00 -0.80 0.00 0.00 55.06 54.63 1d6t s HIS 42 Cb 0.00 0.47 0.31 0.00 -1.43 0.00 0.00 32.58 31.94 1d6t s HIS 42 CO 0.00 -0.25 1.59 1.97 -2.00 0.00 0.00 174.74 176.05 1d6t n PHE 43 N 0.54 2.54 -1.68 0.38 -1.74 -1.26 -2.46 117.46 113.78 1d6t n PHE 43 Ca -0.06 -2.66 -0.44 0.00 -0.56 0.00 0.00 57.45 53.74 1d6t n PHE 43 Cb 0.58 -1.18 -0.01 0.00 1.52 0.00 0.00 39.48 40.39 1d6t n PHE 43 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 1d6t n ARG 44 N 0.69 1.99 -3.77 3.97 0.00 -1.18 -4.64 116.66 113.71 1d6t n ARG 44 Ca 0.35 0.70 -0.36 0.00 -0.00 0.00 0.00 57.85 58.54 1d6t n ARG 44 Cb 0.31 -2.28 -0.07 0.00 -0.00 0.00 0.00 32.46 30.41 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 -0.47 4.29 -0.42 2.89 1.43 1.02 -2.67 118.68 124.75 1d6t s LEU 45 Ca 0.60 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1d6t s LEU 45 Cb -0.61 -2.11 0.11 0.00 0.03 0.00 0.00 46.19 43.61 1d6t s LEU 45 CO 0.58 0.27 0.19 -0.83 0.23 0.00 0.00 176.35 176.78 1d6t s GLY 46 N -0.22 2.07 -0.31 -3.19 0.00 -1.15 -0.69 107.32 103.82 1d6t s GLY 46 Ca 0.12 -2.67 -0.29 0.00 0.00 0.00 0.00 44.72 41.87 1d6t s GLY 46 CO 0.01 1.01 1.23 -0.42 0.00 0.00 0.00 173.10 174.93 1d6t s ILE 47 N 0.83 4.25 0.26 0.90 -1.09 -1.26 -2.73 121.20 122.35 1d6t s ILE 47 Ca 0.11 1.41 0.06 0.00 -2.23 0.00 0.00 60.65 60.00 1d6t s ILE 47 Cb -0.22 -4.25 -0.06 0.00 -1.58 0.00 0.00 42.46 36.36 1d6t s ILE 47 CO -0.05 -0.50 -0.06 -0.44 -1.23 0.00 0.00 174.94 172.66 1d6t s SER 48 N 2.44 2.57 -0.12 3.58 0.01 -1.22 -5.06 113.70 115.90 1d6t s SER 48 Ca 0.53 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 1d6t s SER 48 Cb -0.15 -0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.03 1d6t s SER 48 CO 0.21 -0.35 0.75 -0.69 0.41 0.00 0.00 173.24 173.57 1d6t s VAL 49 N -3.08 0.00 0.38 3.43 1.01 -1.26 -3.72 120.40 117.16 1d6t s VAL 49 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1d6t s VAL 49 Cb 0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1d6t s VAL 49 CO 0.11 0.00 0.58 -0.55 0.00 0.00 0.00 175.10 175.23 1d6t s SER 50 N -0.84 6.10 0.00 3.32 0.15 -1.26 -4.99 113.70 116.18 1d6t s SER 50 Ca -0.07 0.32 0.27 0.00 0.70 0.00 0.00 55.95 57.16 1d6t s SER 50 Cb -0.01 -1.77 0.74 0.00 -1.71 0.00 0.00 66.02 63.27 1d6t s SER 50 CO 0.06 -0.44 1.57 2.29 1.20 0.00 0.00 173.24 177.92 1d6t n LYS 51 N -1.86 1.77 0.07 5.44 2.85 -1.26 -3.64 118.16 121.53 1d6t n LYS 51 Ca -0.02 -1.21 0.11 0.00 -1.05 0.00 0.00 58.31 56.14 1d6t n LYS 51 Cb 0.57 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.45 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1d6t n LYS 52 N 0.44 0.56 0.00 -1.58 4.76 -1.26 -4.47 118.16 116.61 1d6t n LYS 52 Ca 0.17 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1d6t n LYS 52 Cb 0.43 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1d6t n LYS 52 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1d6t n LEU 53 N -2.48 0.00 0.00 -0.35 4.77 -1.24 -4.91 117.00 112.79 1d6t n LEU 53 Ca -0.00 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1d6t n LEU 53 Cb 0.53 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1d6t n LEU 53 CO 0.41 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1d6t n GLY 54 N -0.80 -0.31 1.21 -0.72 0.00 -1.26 -4.57 105.19 98.75 1d6t n GLY 54 Ca 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 1d6t n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1d6t n ASN 55 N 0.00 0.59 0.17 1.61 3.02 -1.26 -4.99 115.26 114.40 1d6t n ASN 55 Ca 0.00 -1.44 0.06 0.00 -0.03 0.00 0.00 54.58 53.17 1d6t n ASN 55 Cb 0.00 -0.15 0.09 0.00 -0.61 0.00 0.00 39.78 39.11 1d6t n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d6t h ALA 56 N 0.14 0.80 0.00 5.41 0.00 -1.99 -3.09 119.26 120.53 1d6t h ALA 56 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1d6t h ALA 56 Cb 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1d6t h ALA 56 CO 0.12 0.38 -0.09 -0.24 0.00 0.00 0.00 179.25 179.42 1d6t h VAL 57 N 0.00 0.89 0.18 0.00 3.04 -1.98 -0.79 116.25 117.58 1d6t h VAL 57 Ca -0.00 -0.31 -0.32 0.00 -1.01 0.00 0.00 66.70 65.06 1d6t h VAL 57 Cb 1.23 1.18 0.03 0.00 -2.01 0.00 0.00 31.29 31.72 1d6t h VAL 57 CO 0.04 0.08 -1.35 -0.07 -1.01 0.00 0.00 177.57 175.26 1d6t h LEU 58 N 0.00 0.88 0.00 3.16 3.38 -1.80 -2.93 115.31 118.00 1d6t h LEU 58 Ca -0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1d6t h LEU 58 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1d6t h LEU 58 CO 0.01 1.66 0.00 -1.14 0.09 0.00 0.00 178.44 179.06 1d6t n ARG 59 N -3.76 0.32 -0.03 1.13 0.00 -0.61 -0.29 116.66 113.42 1d6t n ARG 59 Ca -0.15 0.09 0.05 0.00 -0.00 0.00 0.00 57.85 57.84 1d6t n ARG 59 Cb 1.04 -1.50 -0.16 0.00 0.00 0.00 0.00 32.46 31.84 1d6t n ARG 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1d6t n ASN 60 N -1.23 0.08 -0.05 6.15 3.02 -0.40 -3.39 115.26 119.43 1d6t n ASN 60 Ca 0.10 0.03 -0.05 0.00 -0.03 0.00 0.00 54.58 54.63 1d6t n ASN 60 Cb 0.13 1.59 -0.14 0.00 -0.61 0.00 0.00 39.78 40.74 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 -2.44 0.66 0.09 3.52 4.81 -0.70 -2.47 118.16 121.63 1d6t n LYS 61 Ca -0.12 0.07 -0.04 0.00 -0.87 0.00 0.00 58.31 57.35 1d6t n LYS 61 Cb 0.74 -1.63 -0.02 0.00 0.02 0.00 0.00 35.03 34.13 1d6t n LYS 61 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1d6t h ILE 62 N 0.00 1.55 0.00 3.15 2.04 -0.83 -2.85 117.51 120.57 1d6t h ILE 62 Ca -0.35 -2.95 -0.03 0.00 1.00 0.00 0.00 64.86 62.53 1d6t h ILE 62 Cb 1.90 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 40.59 1d6t h ILE 62 CO 0.04 0.83 -0.35 0.07 0.00 0.00 0.00 178.15 178.73 1d6t h LYS 63 N 0.00 0.00 -0.91 2.37 2.10 -1.71 -3.35 116.57 115.08 1d6t h LYS 63 Ca -0.01 0.00 0.25 0.00 -2.00 0.00 0.00 60.65 58.89 1d6t h LYS 63 Cb 1.54 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.72 1d6t h LYS 63 CO 0.11 0.30 0.18 0.07 -2.00 0.00 0.00 179.45 178.11 1d6t h ARG 64 N -1.00 0.12 -0.99 0.07 0.11 -1.62 1.78 114.38 112.86 1d6t h ARG 64 Ca -0.05 -0.01 0.24 0.00 0.10 0.00 0.00 59.98 60.26 1d6t h ARG 64 Cb 0.51 -0.03 -0.08 0.00 1.11 0.00 0.00 29.97 31.49 1d6t h ARG 64 CO -0.03 0.08 0.65 0.00 0.10 0.00 0.00 179.97 180.77 1d6t h ALA 65 N 1.85 2.28 0.00 0.08 0.00 -1.65 0.47 119.26 122.28 1d6t h ALA 65 Ca 0.58 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.30 1d6t h ALA 65 Cb 1.20 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1d6t h ALA 65 CO -0.74 -0.62 -0.86 0.82 0.00 0.00 0.00 179.25 177.85 1d6t h ILE 66 N 0.38 1.34 0.00 0.00 2.04 0.25 0.57 117.51 122.09 1d6t h ILE 66 Ca 0.54 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1d6t h ILE 66 Cb 1.40 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1d6t h ILE 66 CO -0.22 0.66 0.00 -1.14 0.00 0.00 0.00 178.15 177.44 1d6t n ARG 67 N -4.01 0.04 0.00 2.37 0.63 0.13 0.20 116.66 116.02 1d6t n ARG 67 Ca -0.11 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 1d6t n ARG 67 Cb 0.79 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 32.10 1d6t n ARG 67 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1d6t n GLU 68 N -1.68 1.62 -0.06 -0.14 0.28 0.76 -4.34 120.64 117.08 1d6t n GLU 68 Ca 0.02 -0.31 -0.09 0.00 -0.16 0.00 0.00 57.16 56.62 1d6t n GLU 68 Cb 0.11 -0.80 -0.05 0.00 1.43 0.00 0.00 31.44 32.13 1d6t n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1d6t n ASN 69 N -0.32 2.67 -0.38 -1.84 2.85 0.20 -4.51 115.26 113.93 1d6t n ASN 69 Ca 0.00 -0.02 0.10 0.00 -0.11 0.00 0.00 54.58 54.56 1d6t n ASN 69 Cb 0.01 -0.21 0.44 0.00 1.24 0.00 0.00 39.78 41.26 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 -2.97 0.13 0.44 1.20 3.72 0.53 -3.11 117.46 117.40 1d6t n PHE 70 Ca -0.21 -0.07 0.08 0.00 -0.05 0.00 0.00 57.45 57.21 1d6t n PHE 70 Cb 0.70 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.35 1d6t n PHE 70 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1d6t n LYS 71 N -0.03 1.68 -0.10 -1.08 3.00 -1.23 -3.72 118.16 116.67 1d6t n LYS 71 Ca 0.16 -1.69 -0.19 0.00 -0.00 0.00 0.00 58.31 56.58 1d6t n LYS 71 Cb 0.25 -1.34 -0.06 0.00 0.00 0.00 0.00 35.03 33.88 1d6t n LYS 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1d6t n VAL 72 N 0.94 1.29 1.37 3.15 3.14 -1.18 -4.44 118.33 122.60 1d6t n VAL 72 Ca 0.12 -0.16 0.03 0.00 -2.96 0.00 0.00 64.34 61.36 1d6t n VAL 72 Cb 0.44 -1.92 0.09 0.00 -1.06 0.00 0.00 33.84 31.38 1d6t n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1d6t n HIS 73 N -4.08 0.26 0.51 1.45 -0.00 -1.24 -3.70 115.22 108.43 1d6t n HIS 73 Ca -0.34 -0.13 0.06 0.00 -0.00 0.00 0.00 57.72 57.31 1d6t n HIS 73 Cb 0.69 -0.00 0.29 0.00 -0.00 0.00 0.00 29.99 30.97 1d6t n HIS 73 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1d6t n LYS 74 N 0.08 0.10 0.06 -1.40 4.81 -1.24 -0.99 118.16 119.58 1d6t n LYS 74 Ca 0.07 0.22 -0.22 0.00 -0.87 0.00 0.00 58.31 57.50 1d6t n LYS 74 Cb 0.17 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.57 1d6t n LYS 74 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1d6t h SER 75 N 0.00 0.56 -0.67 3.14 4.64 -1.89 -3.32 113.55 116.02 1d6t h SER 75 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 1d6t h SER 75 Cb 0.15 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1d6t h SER 75 CO 0.00 1.78 0.00 0.00 -0.87 0.00 0.00 176.83 177.74 1d6t n HIS 76 N -3.56 1.44 -1.77 4.77 1.44 -0.78 -4.96 115.22 111.80 1d6t n HIS 76 Ca -0.26 -0.59 -0.32 0.00 -2.01 0.00 0.00 57.72 54.55 1d6t n HIS 76 Cb 1.07 -0.21 0.03 0.00 0.12 0.00 0.00 29.99 31.00 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 -1.74 4.03 0.03 0.61 1.10 -0.16 -1.19 121.20 123.87 1d6t s ILE 77 Ca 0.51 0.76 0.06 0.00 -0.51 0.00 0.00 60.65 61.47 1d6t s ILE 77 Cb 0.32 -3.43 -0.02 0.00 0.15 0.00 0.00 42.46 39.47 1d6t s ILE 77 CO 0.26 -0.76 -0.18 -1.48 -2.11 0.00 0.00 174.94 170.66 1d6t s LEU 78 N -5.14 2.13 0.28 8.50 -0.00 -1.15 -4.84 118.68 118.46 1d6t s LEU 78 Ca 0.60 -0.45 -0.30 0.00 -0.00 0.00 0.00 54.13 53.97 1d6t s LEU 78 Cb -0.14 -0.88 -0.11 0.00 -0.00 0.00 0.00 46.19 45.06 1d6t s LEU 78 CO 0.48 0.15 1.60 0.00 -0.00 0.00 0.00 176.35 178.58 1d6t s ALA 79 N -0.71 3.76 0.00 1.48 0.00 -1.26 -4.48 121.76 120.56 1d6t s ALA 79 Ca 0.06 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1d6t s ALA 79 Cb -0.08 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1d6t s ALA 79 CO 0.01 -0.97 0.00 0.36 0.00 0.00 0.00 175.76 175.16 1d6t n LYS 80 N 2.35 0.00 -0.89 0.00 2.85 -1.03 -4.76 118.16 116.67 1d6t n LYS 80 Ca 0.09 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.93 1d6t n LYS 80 Cb 0.37 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.67 1d6t n LYS 80 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1d6t n ASP 81 N 0.00 0.55 -4.26 -5.58 5.75 -1.16 -4.54 116.55 107.31 1d6t n ASP 81 Ca 0.00 0.51 -0.22 0.00 -0.01 0.00 0.00 54.79 55.07 1d6t n ASP 81 Cb 0.00 -0.61 -0.12 0.00 -1.03 0.00 0.00 41.12 39.36 1d6t n ASP 81 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1d6t s ILE 82 N 3.78 1.52 -0.22 2.12 -1.16 -1.09 -1.35 121.20 124.81 1d6t s ILE 82 Ca 0.80 -1.54 -0.12 0.00 -0.51 0.00 0.00 60.65 59.27 1d6t s ILE 82 Cb -1.02 -1.46 0.07 0.00 0.61 0.00 0.00 42.46 40.66 1d6t s ILE 82 CO 0.46 -0.17 0.53 -0.63 -2.81 0.00 0.00 174.94 172.32 1d6t s ILE 83 N -1.41 -0.02 -0.30 2.00 1.01 0.40 -2.96 121.20 119.93 1d6t s ILE 83 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 1d6t s ILE 83 Cb -0.09 -0.78 0.06 0.00 0.01 0.00 0.00 42.46 41.66 1d6t s ILE 83 CO 0.04 0.02 -0.02 0.68 0.00 0.00 0.00 174.94 175.66 1d6t s VAL 84 N 1.51 2.78 0.25 2.92 -7.23 -1.11 0.24 120.40 119.77 1d6t s VAL 84 Ca -0.10 -1.49 0.10 0.00 -1.81 0.00 0.00 61.98 58.68 1d6t s VAL 84 Cb -0.07 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1d6t s VAL 84 CO -0.16 -0.12 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.84 1d6t s ILE 85 N 1.20 3.31 -0.18 -0.62 1.09 0.27 -3.44 121.20 122.84 1d6t s ILE 85 Ca -0.05 -1.93 -0.17 0.00 -1.10 0.00 0.00 60.65 57.40 1d6t s ILE 85 Cb -0.20 -2.75 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 1d6t s ILE 85 CO -0.02 -0.34 0.46 0.00 -0.10 0.00 0.00 174.94 174.93 1d6t s ALA 86 N -2.25 3.53 0.00 9.38 0.00 -1.24 -0.91 121.76 130.27 1d6t s ALA 86 Ca 0.30 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1d6t s ALA 86 Cb -0.07 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1d6t s ALA 86 CO 0.19 -0.25 0.19 -2.13 0.00 0.00 0.00 175.76 173.75 1d6t n ARG 87 N 4.33 0.00 0.06 0.00 3.00 0.75 -4.44 116.66 120.37 1d6t n ARG 87 Ca -0.07 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1d6t n ARG 87 Cb 0.51 -0.69 0.00 0.00 0.00 0.00 0.00 32.46 32.28 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 -0.35 0.00 0.00 -0.14 6.02 -1.26 -4.81 117.38 116.84 1d6t n GLN 88 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1d6t n GLN 88 Cb 0.00 0.00 0.31 0.00 1.02 0.00 0.00 30.24 31.57 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 -2.89 0.76 -0.49 -1.09 -0.04 -1.26 -3.00 135.00 126.99 1d6t n PRO 89 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1d6t n PRO 89 Cb 0.00 -1.22 0.18 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.72 3.39 0.02 0.55 0.00 -1.26 -4.00 120.51 118.49 1d6t n ALA 90 Ca 0.08 -1.07 -0.14 0.00 0.00 0.00 0.00 53.44 52.30 1d6t n ALA 90 Cb 0.04 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 1.69 0.62 -1.45 0.00 -0.00 -1.78 -3.15 116.57 112.50 1d6t h LYS 91 Ca 0.07 -0.52 -0.69 0.00 -0.00 0.00 0.00 60.65 59.50 1d6t h LYS 91 Cb 1.40 0.12 -0.27 0.00 -0.00 0.00 0.00 32.23 33.48 1d6t h LYS 91 CO 0.32 1.14 0.91 -0.25 -0.00 0.00 0.00 179.45 181.58 1d6t n ASP 92 N -3.88 7.55 -0.93 7.07 8.00 -1.26 -4.66 116.55 128.45 1d6t n ASP 92 Ca -0.06 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.68 1d6t n ASP 92 Cb 0.75 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1d6t n ASP 92 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1d6t n MET 93 N -0.65 2.19 -3.70 -1.24 2.81 -1.19 -5.15 117.12 110.20 1d6t n MET 93 Ca 0.57 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 56.32 1d6t n MET 93 Cb 0.48 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.91 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 1.36 0.04 0.63 2.03 -4.23 -1.26 -4.99 115.64 109.22 1d6t s THR 94 Ca 0.00 -0.29 0.21 0.00 -1.18 0.00 0.00 61.69 60.43 1d6t s THR 94 Cb 0.00 -0.71 0.27 0.00 1.34 0.00 0.00 72.50 73.40 1d6t s THR 94 CO 0.00 -0.16 1.45 0.74 -0.54 0.00 0.00 174.62 176.11 1d6t h THR 95 N 3.74 0.08 0.03 3.99 2.02 -2.00 1.26 112.91 122.02 1d6t h THR 95 Ca -0.29 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 1d6t h THR 95 Cb 1.17 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1d6t h THR 95 CO 0.37 0.00 -0.33 0.25 0.37 0.00 0.00 175.52 176.18 1d6t h LEU 96 N 0.00 0.24 -0.17 2.58 7.12 -1.94 -3.20 115.31 119.94 1d6t h LEU 96 Ca 0.22 -0.86 0.04 0.00 0.13 0.00 0.00 57.88 57.42 1d6t h LEU 96 Cb 1.94 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 41.95 1d6t h LEU 96 CO -0.00 1.08 -0.11 1.56 -0.13 0.00 0.00 178.44 180.84 1d6t h GLN 97 N -0.56 -0.10 -1.05 1.25 1.08 0.12 0.14 115.11 115.99 1d6t h GLN 97 Ca -0.05 0.01 0.28 0.00 -1.45 0.00 0.00 58.65 57.43 1d6t h GLN 97 Cb 1.15 0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 28.49 1d6t h GLN 97 CO 0.06 -0.07 0.65 0.82 -0.95 0.00 0.00 178.83 179.35 1d6t h ILE 98 N -0.10 0.48 -0.24 2.54 5.03 -1.43 1.01 117.51 124.80 1d6t h ILE 98 Ca 0.10 -0.15 -0.15 0.00 -0.12 0.00 0.00 64.86 64.54 1d6t h ILE 98 Cb 0.25 0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.05 1d6t h ILE 98 CO -0.23 0.08 -0.48 1.56 -0.68 0.00 0.00 178.15 178.40 1d6t h GLN 99 N 0.42 0.64 0.00 2.37 4.20 -1.02 1.24 115.11 122.96 1d6t h GLN 99 Ca 0.64 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1d6t h GLN 99 Cb 1.51 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.32 1d6t h GLN 99 CO -0.38 0.98 0.00 0.09 -0.67 0.00 0.00 178.83 178.85 1d6t n ASN 100 N -4.00 0.65 -0.13 1.46 3.02 0.32 -2.07 115.26 114.51 1d6t n ASN 100 Ca -0.03 0.63 -0.28 0.00 -0.03 0.00 0.00 54.58 54.88 1d6t n ASN 100 Cb 0.57 -0.78 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 1d6t n ASN 100 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1d6t n SER 101 N -2.19 1.86 0.02 6.41 7.64 0.70 -4.35 113.62 123.72 1d6t n SER 101 Ca 0.03 0.30 0.21 0.00 1.01 0.00 0.00 58.87 60.42 1d6t n SER 101 Cb 0.27 -0.76 0.73 0.00 -1.01 0.00 0.00 64.21 63.45 1d6t n SER 101 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1d6t h LEU 102 N -0.90 0.00 0.00 -3.43 3.38 0.15 1.71 115.31 116.22 1d6t h LEU 102 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1d6t h LEU 102 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1d6t h LEU 102 CO -0.39 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.52 1d6t n GLU 103 N -4.04 0.73 0.00 1.13 -0.58 -0.88 -2.99 120.64 114.01 1d6t n GLU 103 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1d6t n GLU 103 Cb 0.65 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 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 -1.01 0.00 -0.36 -0.32 -0.00 0.52 -4.52 115.22 109.52 1d6t n HIS 104 Ca 0.18 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.37 1d6t n HIS 104 Cb 0.09 0.28 0.08 0.00 -0.12 0.00 0.00 29.99 30.31 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 -2.30 -0.47 -0.17 3.57 3.14 0.24 0.17 118.33 122.52 1d6t n VAL 105 Ca 0.00 2.24 -0.09 0.00 -2.96 0.00 0.00 64.34 63.53 1d6t n VAL 105 Cb 0.00 -3.01 0.00 0.00 -1.06 0.00 0.00 33.84 29.77 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 0.72 -1.74 6.55 8.10 -1.66 -1.66 115.31 125.62 1d6t h LEU 106 Ca 0.39 -0.23 0.21 0.00 0.11 0.00 0.00 57.88 58.36 1d6t h LEU 106 Cb 0.63 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 40.63 1d6t h LEU 106 CO -0.97 0.77 0.73 0.50 -4.11 0.00 0.00 178.44 175.36 1d6t h LYS 107 N 0.64 0.00 0.09 0.17 3.64 0.17 1.69 116.57 122.98 1d6t h LYS 107 Ca 0.15 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.24 1d6t h LYS 107 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1d6t h LYS 107 CO 0.00 0.00 -1.45 0.82 -2.27 0.00 0.00 179.45 176.56 1d6t h ILE 108 N 0.00 1.24 -0.48 2.00 2.04 -0.03 -3.29 117.51 118.99 1d6t h ILE 108 Ca 0.35 -2.90 -0.06 0.00 1.00 0.00 0.00 64.86 63.25 1d6t h ILE 108 Cb 1.81 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 40.63 1d6t h ILE 108 CO -0.00 0.82 0.05 0.00 0.00 0.00 0.00 178.15 179.01 1d6t h ALA 109 N 0.61 1.19 -2.95 1.87 0.00 0.28 -3.47 119.26 116.78 1d6t h ALA 109 Ca -0.20 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1d6t h ALA 109 Cb 1.98 -0.19 0.04 0.00 0.00 0.00 0.00 17.79 19.61 1d6t h ALA 109 CO 0.16 0.54 -0.17 1.17 0.00 0.00 0.00 179.25 180.94 1d6t n LYS 110 N -4.25 -1.24 0.00 0.00 4.81 0.27 -4.93 118.16 112.82 1d6t n LYS 110 Ca 0.03 0.19 0.06 0.00 -0.87 0.00 0.00 58.31 57.72 1d6t n LYS 110 Cb 0.26 -3.07 -0.05 0.00 0.02 0.00 0.00 35.03 32.20 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 -1.72 0.00 -3.80 3.15 0.24 -1.26 -4.86 118.33 110.08 1d6t n VAL 111 Ca -0.05 -0.26 -0.36 0.00 -2.04 0.00 0.00 64.34 61.63 1d6t n VAL 111 Cb 0.53 1.06 -0.12 0.00 -1.47 0.00 0.00 33.84 33.84 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 -2.01 3.38 0.22 6.34 -0.71 -1.26 -2.92 117.98 121.02 1d6t s PHE 112 Ca 0.07 -1.92 0.11 0.00 -1.04 0.00 0.00 56.93 54.15 1d6t s PHE 112 Cb 0.10 -2.60 0.77 0.00 -1.21 0.00 0.00 43.02 40.08 1d6t s PHE 112 CO 0.46 -0.85 0.99 0.09 -1.34 0.00 0.00 175.22 174.57 1d6t n ASN 113 N 4.68 0.16 0.00 1.98 3.02 -0.34 -4.48 115.26 120.29 1d6t n ASN 113 Ca -0.09 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1d6t n ASN 113 Cb 0.43 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1d6t n ASN 113 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1d6t n LYS 114 N -4.51 0.00 0.00 3.52 5.02 -1.26 -5.13 118.16 115.80 1d6t n LYS 114 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1d6t n LYS 114 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.75 1d6t n LYS 114 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1d6t n LYS 115 N 0.00 0.00 -1.18 1.97 2.85 -1.26 -5.05 118.16 115.48 1d6t n LYS 115 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 1d6t n LYS 115 Cb 0.00 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.43 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1d6t n ILE 116 N 0.00 0.86 0.80 0.58 5.41 -1.26 -5.22 119.36 120.54 1d6t n ILE 116 Ca 0.00 -0.43 0.10 0.00 1.00 0.00 0.00 62.75 63.41 1d6t n ILE 116 Cb 0.00 -0.39 0.08 0.00 -0.71 0.00 0.00 39.64 38.62 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72