#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 0.73 -3.71 4.03 7.99 -1.26 -4.78 117.00 119.99 1d6t n LEU 2 Ca 0.00 -0.32 -0.14 0.00 -0.01 0.00 0.00 56.01 55.54 1d6t n LEU 2 Cb 0.00 -0.06 -0.08 0.00 -0.11 0.00 0.00 43.42 43.17 1d6t n LEU 2 CO 0.00 0.16 0.11 -0.22 -1.51 0.00 0.00 177.39 175.93 1d6t s LEU 3 N -1.43 0.50 0.00 2.23 1.98 -1.26 -5.08 118.68 115.62 1d6t s LEU 3 Ca 0.25 0.36 0.00 0.00 -2.89 0.00 0.00 54.13 51.85 1d6t s LEU 3 Cb 0.12 1.52 0.00 0.00 0.66 0.00 0.00 46.19 48.49 1d6t s LEU 3 CO 0.19 -0.41 0.00 -0.62 -1.89 0.00 0.00 176.35 173.63 1d6t n GLU 4 N 1.57 0.00 0.00 1.98 1.02 -1.26 -4.98 120.64 118.97 1d6t n GLU 4 Ca -0.19 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 56.98 1d6t n GLU 4 Cb 0.56 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.17 1d6t n GLU 4 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1d6t n LYS 5 N 0.00 0.11 -0.29 3.49 2.85 -1.26 -2.74 118.16 120.32 1d6t n LYS 5 Ca 0.00 0.22 0.10 0.00 -1.05 0.00 0.00 58.31 57.58 1d6t n LYS 5 Cb 0.00 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.14 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 2.36 1.25 -0.23 0.58 0.00 -2.00 1.52 119.26 122.73 1d6t h ALA 6 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1d6t h ALA 6 Cb 0.07 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1d6t h ALA 6 CO 0.00 -0.34 0.03 2.48 0.00 0.00 0.00 179.25 181.42 1d6t n TYR 7 N -5.09 0.81 -4.33 0.00 4.11 -1.11 -4.78 117.16 106.77 1d6t n TYR 7 Ca 0.19 -0.37 -0.34 0.00 -0.00 0.00 0.00 57.90 57.39 1d6t n TYR 7 Cb 0.58 -0.29 -0.15 0.00 -0.00 0.00 0.00 39.34 39.48 1d6t n TYR 7 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1d6t s ARG 8 N -1.58 3.24 0.00 -3.48 0.52 0.52 -1.98 118.95 116.19 1d6t s ARG 8 Ca 0.20 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1d6t s ARG 8 Cb 0.15 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.91 1d6t s ARG 8 CO 0.06 -0.05 0.00 -0.89 0.02 0.00 0.00 175.30 174.43 1d6t n ILE 9 N 4.28 0.00 0.00 1.52 5.41 -1.26 -4.99 119.36 124.32 1d6t n ILE 9 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1d6t n ILE 9 Cb 0.51 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 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 -2.54 0.38 4.76 -1.26 -5.10 118.16 114.40 1d6t n LYS 10 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1d6t n LYS 10 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1d6t n LYS 10 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1d6t s LYS 11 N 0.00 3.99 0.35 1.97 2.47 -1.26 -4.96 119.74 122.30 1d6t s LYS 11 Ca 0.00 0.94 0.19 0.00 -1.56 0.00 0.00 55.97 55.54 1d6t s LYS 11 Cb 0.00 -2.17 0.21 0.00 -1.46 0.00 0.00 37.83 34.41 1d6t s LYS 11 CO 0.00 -0.19 1.53 -0.91 0.16 0.00 0.00 175.35 175.94 1d6t h ASN 12 N 1.19 0.00 0.27 1.43 2.35 -2.01 -3.05 115.58 115.76 1d6t h ASN 12 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1d6t h ASN 12 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1d6t h ASN 12 CO 0.62 0.29 -0.13 0.00 -1.65 0.00 0.00 177.43 176.55 1d6t h ALA 13 N 1.71 -0.36 0.00 -0.83 0.00 -1.97 1.56 119.26 119.37 1d6t h ALA 13 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1d6t h ALA 13 Cb 1.21 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1d6t h ALA 13 CO 0.04 -0.64 -0.14 -0.44 0.00 0.00 0.00 179.25 178.06 1d6t h ASP 14 N -0.49 0.00 1.47 0.00 3.32 -1.98 0.80 116.42 119.54 1d6t h ASP 14 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1d6t h ASP 14 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1d6t h ASP 14 CO 0.06 0.14 -0.46 -0.26 -1.72 0.00 0.00 179.24 177.00 1d6t h PHE 15 N 0.00 0.00 0.04 4.55 -1.00 -1.29 -3.35 116.94 115.89 1d6t h PHE 15 Ca -0.00 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.48 1d6t h PHE 15 Cb 0.27 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.80 1d6t h PHE 15 CO 0.00 0.00 -1.64 0.94 -1.61 0.00 0.00 178.31 176.00 1d6t n GLN 16 N -2.80 0.64 -0.57 1.51 7.27 0.53 -3.41 117.38 120.55 1d6t n GLN 16 Ca 0.02 0.44 0.46 0.00 0.07 0.00 0.00 57.00 57.99 1d6t n GLN 16 Cb 0.52 -1.71 0.78 0.00 2.41 0.00 0.00 30.24 32.24 1d6t n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1d6t h ARG 17 N -0.59 0.01 0.04 3.69 3.08 0.41 1.47 114.38 122.49 1d6t h ARG 17 Ca -0.40 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 1d6t h ARG 17 Cb 1.60 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.64 1d6t h ARG 17 CO -0.12 0.01 -0.59 0.82 -1.07 0.00 0.00 179.97 179.03 1d6t h ILE 18 N 0.02 1.47 0.00 2.04 2.04 -1.71 -3.28 117.51 118.09 1d6t h ILE 18 Ca 0.82 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1d6t h ILE 18 Cb 3.21 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 42.32 1d6t h ILE 18 CO -0.07 0.58 0.00 -1.22 0.00 0.00 0.00 178.15 177.44 1d6t n TYR 19 N -4.40 0.00 0.00 1.37 4.02 0.30 -1.09 117.16 117.36 1d6t n TYR 19 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1d6t n TYR 19 Cb 0.64 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 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 -1.43 0.00 -0.12 -0.72 3.00 0.43 -4.70 118.16 114.62 1d6t n LYS 20 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.36 1d6t n LYS 20 Cb 0.12 -0.69 0.02 0.00 0.00 0.00 0.00 35.03 34.48 1d6t n LYS 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1d6t n LYS 21 N -0.30 0.96 0.00 1.64 5.02 -1.25 -5.07 118.16 119.16 1d6t n LYS 21 Ca 0.00 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 1d6t n LYS 21 Cb 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.34 -3.25 2.56 0.72 0.00 -0.25 -5.01 105.19 99.62 1d6t n GLY 22 Ca 0.02 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 1.00 -0.11 1.61 2.46 -0.01 -5.00 115.29 115.24 1d6t s HIS 23 Ca 0.00 -1.64 -0.11 0.00 0.47 0.00 0.00 55.06 53.79 1d6t s HIS 23 Cb 0.00 -1.20 -0.05 0.00 -0.13 0.00 0.00 32.58 31.20 1d6t s HIS 23 CO 0.00 -0.83 0.24 -1.54 -2.47 0.00 0.00 174.74 170.14 1d6t s SER 24 N 1.22 6.48 0.30 9.88 1.04 -1.26 -2.85 113.70 128.51 1d6t s SER 24 Ca 0.15 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.19 1d6t s SER 24 Cb -0.21 -2.14 0.04 0.00 0.10 0.00 0.00 66.02 63.81 1d6t s SER 24 CO -0.10 0.30 0.34 1.33 0.98 0.00 0.00 173.24 176.08 1d6t n VAL 25 N 2.45 0.00 -3.48 5.02 0.24 -1.04 -4.95 118.33 116.56 1d6t n VAL 25 Ca -0.16 -1.07 0.02 0.00 -2.04 0.00 0.00 64.34 61.09 1d6t n VAL 25 Cb 0.53 -0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 32.30 1d6t n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d6t s ALA 26 N -2.39 -2.85 0.00 2.33 0.00 -1.26 -2.86 121.76 114.74 1d6t s ALA 26 Ca 0.26 1.94 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1d6t s ALA 26 Cb -0.02 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1d6t s ALA 26 CO 0.16 -0.57 0.00 0.27 0.00 0.00 0.00 175.76 175.62 1d6t n ASN 27 N 3.73 0.00 0.00 0.00 0.23 0.46 -4.97 115.26 114.70 1d6t n ASN 27 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 1d6t n ASN 27 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 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 -0.04 0.00 -0.40 -3.83 0.63 -1.26 -4.87 116.66 106.89 1d6t n ARG 28 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 1d6t n ARG 28 Cb 0.00 -0.61 0.01 0.00 0.45 0.00 0.00 32.46 32.31 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 -2.75 0.14 -3.96 -0.14 0.00 -1.26 -4.80 117.38 104.61 1d6t n GLN 29 Ca 0.00 -1.08 -0.17 0.00 0.00 0.00 0.00 57.00 55.76 1d6t n GLN 29 Cb 0.44 -0.59 -0.16 0.00 0.00 0.00 0.00 30.24 29.93 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 -0.25 0.32 -0.06 2.61 2.19 -1.26 -2.42 117.98 119.11 1d6t s PHE 30 Ca 0.03 -0.02 0.02 0.00 0.33 0.00 0.00 56.93 57.28 1d6t s PHE 30 Cb 0.02 -0.38 0.02 0.00 -1.31 0.00 0.00 43.02 41.37 1d6t s PHE 30 CO 0.00 -0.11 -0.09 0.54 1.83 0.00 0.00 175.22 177.39 1d6t s VAL 31 N 0.83 0.92 -0.33 3.12 0.11 -1.09 -0.40 120.40 123.56 1d6t s VAL 31 Ca -0.08 -0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1d6t s VAL 31 Cb -0.12 -0.88 0.07 0.00 -1.53 0.00 0.00 36.38 33.93 1d6t s VAL 31 CO -0.01 0.31 0.04 0.68 -3.33 0.00 0.00 175.10 172.79 1d6t s VAL 32 N 0.88 2.79 -0.14 2.04 -7.23 -1.14 0.95 120.40 118.55 1d6t s VAL 32 Ca -0.11 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 1d6t s VAL 32 Cb -0.15 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1d6t s VAL 32 CO 0.01 -0.32 1.08 -0.31 -0.31 0.00 0.00 175.10 175.25 1d6t s TYR 33 N 1.14 3.33 0.03 2.82 1.51 0.17 -2.49 117.35 123.85 1d6t s TYR 33 Ca 0.00 1.43 0.01 0.00 -1.01 0.00 0.00 57.07 57.50 1d6t s TYR 33 Cb -0.20 -3.29 -0.02 0.00 -0.11 0.00 0.00 41.96 38.34 1d6t s TYR 33 CO -0.04 -0.64 -0.06 0.95 -1.11 0.00 0.00 175.55 174.65 1d6t s THR 34 N 2.60 0.35 0.00 -0.71 -4.23 -1.13 -0.88 115.64 111.63 1d6t s THR 34 Ca 0.49 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1d6t s THR 34 Cb -0.19 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1d6t s THR 34 CO 0.14 -0.45 0.00 0.00 -0.54 0.00 0.00 174.62 173.77 1d6t n ASN 36 N 0.00 0.00 0.20 0.00 6.94 -1.26 -4.76 115.26 116.38 1d6t n ASN 36 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.61 1d6t n ASN 36 Cb 0.00 0.00 0.44 0.00 -2.36 0.00 0.00 39.78 37.86 1d6t n ASN 36 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1d6t h ASN 37 N 0.00 0.00 0.00 0.53 2.35 -2.01 -3.45 115.58 112.99 1d6t h ASN 37 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1d6t h ASN 37 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1d6t h ASN 37 CO 0.00 0.31 0.00 2.29 -1.65 0.00 0.00 177.43 178.38 1d6t n LYS 38 N -3.89 0.00 -0.91 0.81 2.85 -1.26 -5.00 118.16 110.76 1d6t n LYS 38 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1d6t n LYS 38 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 1d6t n LYS 38 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1d6t n GLU 39 N 0.00 -0.59 -2.49 -1.58 0.28 -1.26 -4.76 120.64 110.24 1d6t n GLU 39 Ca 0.00 0.15 -0.05 0.00 -0.16 0.00 0.00 57.16 57.10 1d6t n GLU 39 Cb 0.00 -3.77 -0.02 0.00 1.43 0.00 0.00 31.44 29.08 1d6t n GLU 39 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1d6t n ILE 40 N -2.32 0.00 -1.93 3.84 -5.35 -1.26 -5.07 119.36 107.28 1d6t n ILE 40 Ca 0.00 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 1d6t n ILE 40 Cb 0.15 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1d6t n ILE 40 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1d6t n ASP 41 N -2.39 0.00 0.00 7.28 2.03 -1.26 -4.86 116.55 117.35 1d6t n ASP 41 Ca 0.00 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1d6t n ASP 41 Cb 0.13 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1d6t n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d6t n HIS 42 N 0.00 0.00 0.00 -0.67 1.44 -1.26 -4.62 115.22 110.11 1d6t n HIS 42 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1d6t n HIS 42 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1d6t n HIS 42 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 1d6t n PHE 43 N 0.00 0.00 -1.85 -1.40 1.16 -1.26 0.18 117.46 114.29 1d6t n PHE 43 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.36 1d6t n PHE 43 Cb 0.00 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.80 1d6t n PHE 43 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1d6t s ARG 44 N 0.00 2.00 -0.74 3.97 0.52 -1.13 -4.73 118.95 118.84 1d6t s ARG 44 Ca 0.00 -0.46 -0.26 0.00 -0.52 0.00 0.00 55.73 54.49 1d6t s ARG 44 Cb 0.00 -5.05 0.02 0.00 0.52 0.00 0.00 34.95 30.44 1d6t s ARG 44 CO 0.00 -4.32 1.45 -1.17 0.02 0.00 0.00 175.30 171.28 1d6t s LEU 45 N 13.05 3.22 -0.07 2.53 0.20 -0.84 -2.86 118.68 133.92 1d6t s LEU 45 Ca 0.77 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 55.23 1d6t s LEU 45 Cb -0.06 -2.55 -0.03 0.00 -0.43 0.00 0.00 46.19 43.12 1d6t s LEU 45 CO 0.10 -1.96 -0.11 -0.83 -0.29 0.00 0.00 176.35 173.26 1d6t s GLY 46 N 5.01 1.60 -0.11 7.98 0.00 -1.19 -4.64 107.32 115.98 1d6t s GLY 46 Ca 0.45 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 44.27 1d6t s GLY 46 CO 0.13 -0.67 -0.23 -0.42 0.00 0.00 0.00 173.10 171.91 1d6t s ILE 47 N -0.65 2.03 0.20 0.90 1.01 -1.26 -1.49 121.20 121.93 1d6t s ILE 47 Ca 0.10 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1d6t s ILE 47 Cb -0.11 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 1d6t s ILE 47 CO 0.01 0.55 0.06 -0.44 0.00 0.00 0.00 174.94 175.12 1d6t s SER 48 N 0.48 0.92 0.30 3.58 0.01 -0.45 -4.99 113.70 113.54 1d6t s SER 48 Ca -0.16 -1.28 -0.13 0.00 1.31 0.00 0.00 55.95 55.69 1d6t s SER 48 Cb -0.17 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1d6t s SER 48 CO 0.06 -0.68 0.59 -0.69 0.41 0.00 0.00 173.24 172.92 1d6t s VAL 49 N -3.82 0.00 0.42 3.43 1.01 -1.26 -2.00 120.40 118.18 1d6t s VAL 49 Ca 0.31 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1d6t s VAL 49 Cb 0.07 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1d6t s VAL 49 CO 0.08 0.00 0.64 -0.55 0.00 0.00 0.00 175.10 175.27 1d6t s SER 50 N -3.04 6.03 0.00 3.32 0.15 -1.26 -4.84 113.70 114.06 1d6t s SER 50 Ca 0.20 0.41 0.24 0.00 0.70 0.00 0.00 55.95 57.50 1d6t s SER 50 Cb -0.03 -1.77 0.32 0.00 -1.71 0.00 0.00 66.02 62.83 1d6t s SER 50 CO 0.11 -0.55 1.33 0.29 1.20 0.00 0.00 173.24 175.62 1d6t n LYS 51 N -2.00 2.34 -0.00 5.44 5.02 -1.26 -3.95 118.16 123.75 1d6t n LYS 51 Ca -0.01 -1.97 0.07 0.00 -2.02 0.00 0.00 58.31 54.37 1d6t n LYS 51 Cb 0.57 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.32 1.00 0.00 1.97 3.00 -1.26 -4.70 118.16 119.49 1d6t n LYS 52 Ca 0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1d6t n LYS 52 Cb 0.59 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.34 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 -1.80 0.00 0.00 3.14 0.00 -1.25 -4.96 117.00 112.12 1d6t n LEU 53 Ca -0.01 0.78 0.00 0.00 0.00 0.00 0.00 56.01 56.78 1d6t n LEU 53 Cb 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 43.42 43.45 1d6t n LEU 53 CO 0.28 -0.28 0.00 0.61 0.00 0.00 0.00 177.39 178.00 1d6t n GLY 54 N -1.00 -0.56 0.93 -3.96 0.00 -1.26 -4.90 105.19 94.43 1d6t n GLY 54 Ca 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.51 1d6t n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1d6t n ASN 55 N 0.00 0.33 0.09 1.61 0.23 -1.26 -5.01 115.26 111.26 1d6t n ASN 55 Ca 0.00 -1.28 0.03 0.00 -0.53 0.00 0.00 54.58 52.80 1d6t n ASN 55 Cb 0.00 -0.15 -0.02 0.00 -2.08 0.00 0.00 39.78 37.53 1d6t n ASN 55 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1d6t h ALA 56 N -0.43 0.66 -0.94 -2.53 0.00 -2.00 -3.25 119.26 110.76 1d6t h ALA 56 Ca -0.08 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.34 1d6t h ALA 56 Cb 0.29 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1d6t h ALA 56 CO 0.09 0.65 0.60 -0.24 0.00 0.00 0.00 179.25 180.35 1d6t h VAL 57 N 0.00 1.10 0.00 0.00 3.04 -1.99 0.23 116.25 118.63 1d6t h VAL 57 Ca -0.07 -0.38 -0.13 0.00 -1.01 0.00 0.00 66.70 65.11 1d6t h VAL 57 Cb 1.41 -0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.55 1d6t h VAL 57 CO 0.05 0.20 -0.61 0.17 -1.01 0.00 0.00 177.57 176.37 1d6t h LEU 58 N 1.12 0.00 -0.05 3.16 8.10 -1.97 -2.49 115.31 123.18 1d6t h LEU 58 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.39 1d6t h LEU 58 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.34 1d6t h LEU 58 CO -0.16 0.61 0.00 0.54 -4.11 0.00 0.00 178.44 175.32 1d6t n ARG 59 N -3.63 0.08 -0.01 0.17 1.74 0.12 -2.58 116.66 112.56 1d6t n ARG 59 Ca -0.01 0.12 -0.17 0.00 -0.77 0.00 0.00 57.85 57.03 1d6t n ARG 59 Cb 0.64 -1.60 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.75 1.66 0.01 0.55 3.02 0.59 -2.51 115.26 116.82 1d6t n ASN 60 Ca 0.06 0.27 0.11 0.00 -0.03 0.00 0.00 54.58 54.99 1d6t n ASN 60 Cb 0.33 -0.55 0.49 0.00 -0.61 0.00 0.00 39.78 39.44 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 -3.31 0.02 -0.09 3.52 4.81 -1.00 0.15 118.16 122.25 1d6t n LYS 61 Ca -0.27 0.12 -0.12 0.00 -0.87 0.00 0.00 58.31 57.17 1d6t n LYS 61 Cb 1.05 -1.52 -0.15 0.00 0.02 0.00 0.00 35.03 34.43 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 -1.55 1.46 -0.00 3.15 5.41 -1.06 -3.47 119.36 123.28 1d6t n ILE 62 Ca 0.05 -0.79 -0.16 0.00 1.00 0.00 0.00 62.75 62.86 1d6t n ILE 62 Cb 0.27 -0.77 -0.14 0.00 -0.71 0.00 0.00 39.64 38.29 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 0.00 0.16 -0.18 0.38 5.09 -1.28 -3.33 116.57 117.41 1d6t h LYS 63 Ca -0.51 -0.27 -0.11 0.00 0.09 0.00 0.00 60.65 59.85 1d6t h LYS 63 Cb 2.14 0.10 -0.01 0.00 0.10 0.00 0.00 32.23 34.56 1d6t h LYS 63 CO 0.02 0.91 -0.36 0.07 -2.09 0.00 0.00 179.45 178.01 1d6t h ARG 64 N 0.04 0.38 -0.78 0.07 -0.00 0.12 -2.79 114.38 111.42 1d6t h ARG 64 Ca -0.36 -0.17 0.01 0.00 -0.00 0.00 0.00 59.98 59.47 1d6t h ARG 64 Cb 2.03 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.97 31.95 1d6t h ARG 64 CO 0.09 0.69 0.51 0.00 -0.00 0.00 0.00 179.97 181.26 1d6t h ALA 65 N 1.31 0.99 -0.52 0.08 0.00 -1.69 -1.31 119.26 118.11 1d6t h ALA 65 Ca 0.04 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1d6t h ALA 65 Cb 0.78 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1d6t h ALA 65 CO 0.06 0.38 0.24 0.82 0.00 0.00 0.00 179.25 180.75 1d6t h ILE 66 N 1.03 0.90 0.00 0.00 2.04 -1.60 0.52 117.51 120.40 1d6t h ILE 66 Ca 0.29 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1d6t h ILE 66 Cb -0.09 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1d6t h ILE 66 CO -0.07 0.08 0.00 -1.14 0.00 0.00 0.00 178.15 177.02 1d6t n ARG 67 N -4.92 0.45 -0.04 2.37 0.63 -0.72 0.76 116.66 115.19 1d6t n ARG 67 Ca 0.05 0.05 0.03 0.00 -0.92 0.00 0.00 57.85 57.07 1d6t n ARG 67 Cb 0.17 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.42 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 -1.15 0.71 -0.02 -0.14 0.00 0.16 -4.10 120.64 116.09 1d6t n GLU 68 Ca 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 57.16 57.11 1d6t n GLU 68 Cb 0.11 -1.49 -0.01 0.00 0.00 0.00 0.00 31.44 30.04 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 -2.40 1.39 0.27 4.31 5.15 0.21 -4.54 115.26 119.65 1d6t n ASN 69 Ca -0.14 0.22 0.12 0.00 -0.60 0.00 0.00 54.58 54.18 1d6t n ASN 69 Cb 0.75 -0.53 0.64 0.00 -0.53 0.00 0.00 39.78 40.12 1d6t n ASN 69 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1d6t h PHE 70 N -0.49 0.00 0.09 1.20 3.04 0.12 0.76 116.94 121.67 1d6t h PHE 70 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1d6t h PHE 70 Cb 0.49 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1d6t h PHE 70 CO -0.21 0.00 -0.04 -0.22 -2.02 0.00 0.00 178.31 175.82 1d6t h LYS 71 N 0.00 -0.12 -0.08 1.11 3.11 -1.71 0.89 116.57 119.78 1d6t h LYS 71 Ca 0.00 0.01 -0.24 0.00 -2.81 0.00 0.00 60.65 57.61 1d6t h LYS 71 Cb 0.61 0.03 0.02 0.00 -1.00 0.00 0.00 32.23 31.88 1d6t h LYS 71 CO 0.00 0.14 -0.88 -0.39 -2.81 0.00 0.00 179.45 175.51 1d6t h VAL 72 N -0.36 1.28 0.00 2.00 -1.51 -1.15 -2.79 116.25 113.71 1d6t h VAL 72 Ca -0.01 -2.08 0.00 0.00 -1.23 0.00 0.00 66.70 63.38 1d6t h VAL 72 Cb 0.31 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1d6t h VAL 72 CO 0.02 0.65 0.00 1.41 -1.23 0.00 0.00 177.57 178.42 1d6t n HIS 73 N -3.92 0.00 -0.23 5.19 8.25 -0.37 -3.54 115.22 120.60 1d6t n HIS 73 Ca -0.09 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.39 1d6t n HIS 73 Cb 0.80 0.00 0.14 0.00 1.12 0.00 0.00 29.99 32.05 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 0.42 -0.23 -0.41 3.64 0.11 1.10 116.57 121.20 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 0.00 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1d6t h LYS 74 CO 0.00 0.28 0.00 0.43 -2.27 0.00 0.00 179.45 177.89 1d6t n SER 75 N -4.99 1.10 -0.03 4.20 7.64 -1.23 -3.28 113.62 117.03 1d6t n SER 75 Ca 0.11 -2.01 -0.03 0.00 1.01 0.00 0.00 58.87 57.94 1d6t n SER 75 Cb 0.33 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.07 0.00 -2.26 1.43 8.25 0.30 -5.02 115.22 118.00 1d6t n HIS 76 Ca 0.06 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1d6t n HIS 76 Cb 0.18 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 1d6t n HIS 76 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1d6t s ILE 77 N -2.17 4.00 0.44 1.59 1.09 0.28 -3.20 121.20 123.24 1d6t s ILE 77 Ca -0.04 1.02 0.04 0.00 -1.10 0.00 0.00 60.65 60.57 1d6t s ILE 77 Cb 0.02 -3.49 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 1d6t s ILE 77 CO 0.28 -0.49 0.03 -1.48 -0.10 0.00 0.00 174.94 173.18 1d6t s LEU 78 N -4.15 2.42 0.32 2.97 -0.00 -1.21 -4.94 118.68 114.09 1d6t s LEU 78 Ca 0.63 -1.53 -0.29 0.00 -0.00 0.00 0.00 54.13 52.94 1d6t s LEU 78 Cb -0.14 -0.65 -0.11 0.00 -0.00 0.00 0.00 46.19 45.28 1d6t s LEU 78 CO 0.31 -0.70 1.57 0.00 -0.00 0.00 0.00 176.35 177.53 1d6t n ALA 79 N -1.05 2.54 0.00 1.48 0.00 0.48 -4.10 120.51 119.86 1d6t n ALA 79 Ca -0.11 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1d6t n ALA 79 Cb 0.67 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 1.69 0.00 -1.73 0.00 5.02 -1.26 -4.87 118.16 117.00 1d6t n LYS 80 Ca 0.06 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 1d6t n LYS 80 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.34 1d6t n LYS 80 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1d6t s ASP 81 N 0.00 4.61 0.16 4.39 1.01 -1.26 -2.83 116.67 122.75 1d6t s ASP 81 Ca 0.00 0.51 0.09 0.00 0.71 0.00 0.00 52.55 53.87 1d6t s ASP 81 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1d6t s ASP 81 CO 0.00 -2.93 -0.14 -0.51 0.21 0.00 0.00 175.17 171.79 1d6t s ILE 82 N 11.70 2.96 -0.26 0.77 -1.16 -1.14 -3.46 121.20 130.62 1d6t s ILE 82 Ca 0.86 -1.65 -0.01 0.00 -0.51 0.00 0.00 60.65 59.35 1d6t s ILE 82 Cb -0.14 -2.42 0.15 0.00 0.61 0.00 0.00 42.46 40.65 1d6t s ILE 82 CO 0.18 -0.03 0.41 -0.63 -2.81 0.00 0.00 174.94 172.06 1d6t s ILE 83 N -1.50 -0.65 -0.16 2.00 1.01 -0.06 -3.14 121.20 118.70 1d6t s ILE 83 Ca 0.22 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.55 1d6t s ILE 83 Cb -0.09 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1d6t s ILE 83 CO 0.13 -0.17 0.48 0.68 0.00 0.00 0.00 174.94 176.06 1d6t s VAL 84 N 2.58 5.16 0.38 2.92 -7.23 -0.55 0.41 120.40 124.06 1d6t s VAL 84 Ca 0.12 0.92 0.08 0.00 -1.81 0.00 0.00 61.98 61.29 1d6t s VAL 84 Cb -0.14 -3.81 -0.06 0.00 0.56 0.00 0.00 36.38 32.93 1d6t s VAL 84 CO -0.21 0.26 0.10 -0.63 -0.31 0.00 0.00 175.10 174.31 1d6t s ILE 85 N 1.12 2.43 -0.38 -0.62 1.09 0.27 -1.34 121.20 123.77 1d6t s ILE 85 Ca 0.24 -1.82 -0.02 0.00 -1.10 0.00 0.00 60.65 57.96 1d6t s ILE 85 Cb -0.15 -2.94 0.21 0.00 -1.06 0.00 0.00 42.46 38.52 1d6t s ILE 85 CO 0.10 -0.08 2.17 0.00 -0.10 0.00 0.00 174.94 177.03 1d6t n ALA 86 N -1.11 5.50 0.00 9.38 0.00 -0.85 -2.68 120.51 130.76 1d6t n ALA 86 Ca -0.03 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.30 1d6t n ALA 86 Cb 0.64 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1d6t n ALA 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1d6t n ARG 87 N 0.33 0.00 0.08 0.00 3.00 -1.02 -3.83 116.66 115.23 1d6t n ARG 87 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 1d6t n ARG 87 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 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 0.00 0.00 0.00 -0.14 6.02 -1.26 -4.70 117.38 117.30 1d6t n GLN 88 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1d6t n GLN 88 Cb 0.00 0.00 0.22 0.00 1.02 0.00 0.00 30.24 31.48 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 -2.92 0.75 -0.56 -1.09 -0.04 -1.26 -3.99 135.00 125.89 1d6t n PRO 89 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1d6t n PRO 89 Cb 0.00 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.65 4.28 -0.02 0.55 0.00 -1.25 -2.98 120.51 120.44 1d6t n ALA 90 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1d6t n ALA 90 Cb 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.80 -0.82 -0.03 0.00 -0.00 -1.26 -4.54 118.16 113.32 1d6t n LYS 91 Ca 0.10 -0.48 0.02 0.00 -0.00 0.00 0.00 58.31 57.95 1d6t n LYS 91 Cb 0.55 -0.98 0.03 0.00 -0.00 0.00 0.00 35.03 34.62 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 -0.02 1.78 -4.56 -5.58 5.68 -1.16 -5.04 116.55 107.65 1d6t n ASP 92 Ca 0.00 -2.10 -0.24 0.00 -0.50 0.00 0.00 54.79 51.95 1d6t n ASP 92 Cb 0.01 -0.09 -0.09 0.00 -1.14 0.00 0.00 41.12 39.81 1d6t n ASP 92 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1d6t s MET 93 N -1.22 1.95 0.22 0.11 0.23 -1.26 -5.15 119.30 114.18 1d6t s MET 93 Ca 0.06 -1.68 0.09 0.00 -1.03 0.00 0.00 55.69 53.13 1d6t s MET 93 Cb 0.05 -1.91 -0.04 0.00 -1.53 0.00 0.00 34.83 31.41 1d6t s MET 93 CO 0.01 0.28 -0.02 0.95 -2.03 0.00 0.00 175.02 174.20 1d6t s THR 94 N -2.47 3.45 0.65 3.16 -4.23 -1.26 -4.94 115.64 110.00 1d6t s THR 94 Ca 0.32 -1.74 0.20 0.00 -1.18 0.00 0.00 61.69 59.28 1d6t s THR 94 Cb -0.04 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 71.24 1d6t s THR 94 CO 0.17 -0.25 1.55 0.74 -0.54 0.00 0.00 174.62 176.29 1d6t h THR 95 N 2.22 0.05 -0.22 3.99 2.02 -1.98 1.56 112.91 120.55 1d6t h THR 95 Ca -0.45 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.52 1d6t h THR 95 Cb 1.23 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1d6t h THR 95 CO 0.58 0.00 -0.68 0.25 0.37 0.00 0.00 175.52 176.04 1d6t h LEU 96 N 0.00 0.97 0.11 2.58 7.12 -1.93 -0.01 115.31 124.15 1d6t h LEU 96 Ca 0.08 -0.58 -0.28 0.00 0.13 0.00 0.00 57.88 57.22 1d6t h LEU 96 Cb 1.41 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1d6t h LEU 96 CO -0.00 1.39 -1.34 1.56 -0.13 0.00 0.00 178.44 179.91 1d6t h GLN 97 N 0.61 0.23 -0.43 1.25 4.20 0.17 -2.43 115.11 118.70 1d6t h GLN 97 Ca -0.02 -0.40 -0.07 0.00 0.06 0.00 0.00 58.65 58.22 1d6t h GLN 97 Cb 1.30 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.21 1d6t h GLN 97 CO 0.14 1.14 -0.01 0.97 -0.67 0.00 0.00 178.83 180.41 1d6t h ILE 98 N 0.06 1.26 0.00 2.54 2.10 -0.62 -1.36 117.51 121.49 1d6t h ILE 98 Ca -0.17 -1.05 -0.10 0.00 1.08 0.00 0.00 64.86 64.62 1d6t h ILE 98 Cb 1.97 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 38.77 1d6t h ILE 98 CO 0.18 0.36 -0.50 0.06 -1.08 0.00 0.00 178.15 177.17 1d6t h GLN 99 N 0.61 0.00 0.00 2.19 3.07 -1.08 0.85 115.11 120.75 1d6t h GLN 99 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.85 1d6t h GLN 99 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.06 1d6t h GLN 99 CO 0.02 0.50 -0.05 -0.91 0.09 0.00 0.00 178.83 178.48 1d6t h ASN 100 N 0.00 0.00 0.00 0.06 4.21 -1.04 -3.00 115.58 115.80 1d6t h ASN 100 Ca -0.00 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 1d6t h ASN 100 Cb 0.94 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 1d6t h ASN 100 CO 0.06 0.05 -1.95 -0.24 -1.29 0.00 0.00 177.43 174.07 1d6t n SER 101 N -3.15 0.84 -0.04 5.81 2.88 -0.55 -4.32 113.62 115.09 1d6t n SER 101 Ca 0.01 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1d6t n SER 101 Cb 0.40 1.51 0.49 0.00 -0.75 0.00 0.00 64.21 65.86 1d6t n SER 101 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1d6t h LEU 102 N 0.00 0.37 0.00 2.46 6.46 0.85 0.61 115.31 126.06 1d6t h LEU 102 Ca -0.16 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1d6t h LEU 102 Cb 1.26 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1d6t h LEU 102 CO 0.01 0.24 0.00 -0.62 -0.62 0.00 0.00 178.44 177.45 1d6t n GLU 103 N -4.47 0.57 0.00 1.25 -0.58 -1.21 -2.02 120.64 114.18 1d6t n GLU 103 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1d6t n GLU 103 Cb 0.28 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.91 0.00 -0.28 -0.32 -0.00 0.20 -4.04 115.22 109.87 1d6t n HIS 104 Ca 0.11 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.32 1d6t n HIS 104 Cb 0.05 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.02 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 0.19 -0.50 3.57 3.04 -1.29 0.97 116.25 122.23 1d6t h VAL 105 Ca 0.00 -0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.57 1d6t h VAL 105 Cb 0.00 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.46 1d6t h VAL 105 CO 0.00 0.00 -0.15 0.17 -1.01 0.00 0.00 177.57 176.58 1d6t h LEU 106 N 0.00 0.98 -2.48 3.16 8.10 -1.63 -1.51 115.31 121.93 1d6t h LEU 106 Ca 0.39 -0.34 0.02 0.00 0.11 0.00 0.00 57.88 58.06 1d6t h LEU 106 Cb 0.60 -0.27 -0.00 0.00 -0.44 0.00 0.00 40.66 40.55 1d6t h LEU 106 CO -0.83 1.11 0.09 0.50 -4.11 0.00 0.00 178.44 175.21 1d6t h LYS 107 N 0.85 0.00 0.00 0.17 3.11 0.60 0.48 116.57 121.78 1d6t h LYS 107 Ca 0.13 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.94 1d6t h LYS 107 Cb 0.71 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1d6t h LYS 107 CO 0.05 0.00 -1.14 -0.89 -2.81 0.00 0.00 179.45 174.67 1d6t n ILE 108 N -3.58 0.68 0.25 2.00 5.41 0.13 -3.75 119.36 120.50 1d6t n ILE 108 Ca -0.01 -0.57 0.10 0.00 1.00 0.00 0.00 62.75 63.26 1d6t n ILE 108 Cb 0.18 -0.39 0.64 0.00 -0.71 0.00 0.00 39.64 39.36 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 1.90 1.45 0.00 -1.39 0.00 0.92 -3.46 119.26 118.68 1d6t h ALA 109 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1d6t h ALA 109 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1d6t h ALA 109 CO 0.01 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.07 1d6t n LYS 110 N -3.92 0.00 -0.62 0.00 4.76 -1.08 -4.89 118.16 112.40 1d6t n LYS 110 Ca -0.02 0.38 -0.08 0.00 -2.87 0.00 0.00 58.31 55.72 1d6t n LYS 110 Cb 0.24 -3.62 0.14 0.00 -1.84 0.00 0.00 35.03 29.95 1d6t n LYS 110 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1d6t n VAL 111 N -2.95 2.01 -3.93 -0.18 0.24 -1.25 -4.77 118.33 107.48 1d6t n VAL 111 Ca 0.00 -0.97 -0.28 0.00 -2.04 0.00 0.00 64.34 61.05 1d6t n VAL 111 Cb 0.00 -0.60 -0.17 0.00 -1.47 0.00 0.00 33.84 31.60 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 -1.88 1.73 0.44 6.34 0.08 -1.26 -3.34 117.98 120.09 1d6t s PHE 112 Ca 0.31 -0.96 0.37 0.00 0.12 0.00 0.00 56.93 56.77 1d6t s PHE 112 Cb 0.26 -1.35 1.45 0.00 -0.57 0.00 0.00 43.02 42.80 1d6t s PHE 112 CO 0.07 -0.58 1.41 0.09 -0.10 0.00 0.00 175.22 176.11 1d6t n ASN 113 N 4.88 0.10 0.00 1.36 3.02 -1.20 -4.65 115.26 118.78 1d6t n ASN 113 Ca -0.13 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1d6t n ASN 113 Cb 0.49 -0.54 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 1.17 -2.62 0.00 0.00 177.26 175.81 1d6t n LYS 114 N -4.15 0.00 0.00 3.52 4.81 -1.26 -5.08 118.16 115.99 1d6t n LYS 114 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1d6t n LYS 114 Cb 1.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.65 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 -0.83 1.64 4.81 -1.26 -5.11 118.16 117.41 1d6t n LYS 115 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1d6t n LYS 115 Cb 0.00 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.19 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 0.45 1.30 3.15 2.08 -1.26 -5.26 119.36 119.81 1d6t n ILE 116 Ca 0.00 -0.13 0.13 0.00 0.56 0.00 0.00 62.75 63.31 1d6t n ILE 116 Cb 0.00 -0.87 0.35 0.00 -0.75 0.00 0.00 39.64 38.37 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28