#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl6 s LYS 3 N 0.00 0.36 0.00 3.52 0.00 -1.26 -4.97 119.74 117.39 1tl6 s LYS 3 Ca 0.00 -0.88 0.26 0.00 0.00 0.00 0.00 55.97 55.35 1tl6 s LYS 3 Cb 0.00 -1.19 0.64 0.00 0.00 0.00 0.00 37.83 37.28 1tl6 s LYS 3 CO 0.00 -1.11 1.50 0.09 0.00 0.00 0.00 175.35 175.84 1tl6 n ASN 4 N 4.70 0.55 -0.08 0.03 3.02 -1.26 -3.20 115.26 119.02 1tl6 n ASN 4 Ca 0.02 -0.31 -0.15 0.00 -0.03 0.00 0.00 54.58 54.11 1tl6 n ASN 4 Cb 0.40 0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.60 1tl6 n ASN 4 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1tl6 h ILE 5 N 0.23 1.57 -0.31 2.41 2.04 -1.93 -1.19 117.51 120.33 1tl6 h ILE 5 Ca 0.00 -2.28 0.06 0.00 1.00 0.00 0.00 64.86 63.64 1tl6 h ILE 5 Cb 0.49 3.07 -0.05 0.00 -0.74 0.00 0.00 36.82 39.59 1tl6 h ILE 5 CO 0.00 0.53 -0.03 0.44 0.00 0.00 0.00 178.15 179.09 1tl6 h ASP 6 N -1.00 -0.19 -0.77 1.72 3.32 -1.98 0.19 116.42 117.70 1tl6 h ASP 6 Ca -0.07 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.14 1tl6 h ASP 6 Cb 1.03 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1tl6 h ASP 6 CO -0.04 -0.06 0.51 0.74 -1.72 0.00 0.00 179.24 178.66 1tl6 h THR 7 N 0.05 1.00 0.18 0.35 2.02 -1.63 -2.27 112.91 112.61 1tl6 h THR 7 Ca 0.15 -0.27 -0.31 0.00 0.77 0.00 0.00 66.41 66.75 1tl6 h THR 7 Cb 0.22 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1tl6 h THR 7 CO -0.28 0.14 -1.53 0.58 0.37 0.00 0.00 175.52 174.80 1tl6 h VAL 8 N 0.79 1.08 0.00 3.16 2.07 -0.35 -2.99 116.25 120.00 1tl6 h VAL 8 Ca 0.34 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1tl6 h VAL 8 Cb 0.31 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1tl6 h VAL 8 CO -0.12 0.80 0.00 -2.11 0.02 0.00 0.00 177.57 176.16 1tl6 n ARG 9 N -3.75 0.14 0.01 1.57 -4.01 0.59 -0.72 116.66 110.50 1tl6 n ARG 9 Ca -0.22 0.22 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 1tl6 n ARG 9 Cb 1.01 -1.70 -0.09 0.00 -3.04 0.00 0.00 32.46 28.64 1tl6 n ARG 9 CO 0.00 0.00 0.00 1.49 -3.04 0.00 0.00 177.63 176.08 1tl6 h GLU 10 N 0.00 -0.04 -0.29 2.89 4.81 -1.46 -2.47 114.58 118.02 1tl6 h GLU 10 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1tl6 h GLU 10 Cb 0.51 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1tl6 h GLU 10 CO 0.00 0.33 -0.02 0.82 -0.73 0.00 0.00 179.01 179.41 1tl6 h ILE 11 N -0.42 0.76 -0.85 2.32 2.04 -1.18 -1.39 117.51 118.79 1tl6 h ILE 11 Ca -0.00 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1tl6 h ILE 11 Cb 0.39 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1tl6 h ILE 11 CO 0.01 0.01 0.56 0.40 0.00 0.00 0.00 178.15 179.13 1tl6 h ILE 12 N 0.06 1.22 0.69 -0.67 2.04 -1.02 0.03 117.51 119.87 1tl6 h ILE 12 Ca 0.14 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1tl6 h ILE 12 Cb 0.19 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1tl6 h ILE 12 CO -0.25 0.21 -0.37 0.74 0.00 0.00 0.00 178.15 178.48 1tl6 h THR 13 N 1.15 0.00 0.00 -0.27 2.02 -1.00 -2.74 112.91 112.07 1tl6 h THR 13 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1tl6 h THR 13 Cb -0.13 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1tl6 h THR 13 CO -0.07 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.15 1tl6 n VAL 14 N -4.72 0.82 0.01 3.16 0.24 -0.56 -1.70 118.33 115.57 1tl6 n VAL 14 Ca -0.12 0.18 -0.15 0.00 -2.04 0.00 0.00 64.34 62.21 1tl6 n VAL 14 Cb 0.39 -1.00 -0.14 0.00 -1.47 0.00 0.00 33.84 31.62 1tl6 n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tl6 h ALA 15 N 2.44 0.53 0.08 2.33 0.00 -1.01 -2.89 119.26 120.74 1tl6 h ALA 15 Ca 0.00 -1.34 -0.29 0.00 0.00 0.00 0.00 54.91 53.28 1tl6 h ALA 15 Cb 0.36 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1tl6 h ALA 15 CO 0.00 1.38 -1.49 1.03 0.00 0.00 0.00 179.25 180.17 1tl6 h SER 16 N 0.04 0.26 0.87 0.00 0.87 -1.15 -2.57 113.55 111.87 1tl6 h SER 16 Ca -0.31 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 59.86 1tl6 h SER 16 Cb 2.01 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.89 1tl6 h SER 16 CO 0.10 1.31 -0.10 0.40 -0.53 0.00 0.00 176.83 178.02 1tl6 h ILE 17 N 0.05 0.27 0.00 2.23 2.04 -1.49 -3.04 117.51 117.57 1tl6 h ILE 17 Ca -0.22 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1tl6 h ILE 17 Cb 1.98 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 1tl6 h ILE 17 CO 0.14 0.09 0.00 -0.11 0.00 0.00 0.00 178.15 178.27 1tl6 n LEU 18 N -3.26 0.08 -0.00 1.44 0.00 -1.09 -4.59 117.00 109.57 1tl6 n LEU 18 Ca -0.00 0.83 -0.09 0.00 0.00 0.00 0.00 56.01 56.75 1tl6 n LEU 18 Cb 0.33 -0.44 0.06 0.00 0.00 0.00 0.00 43.42 43.38 1tl6 n LEU 18 CO 0.29 -0.44 0.51 0.16 0.00 0.00 0.00 177.39 177.91 1tl6 h ILE 19 N 0.00 1.31 -0.56 1.96 3.07 -1.48 -3.27 117.51 118.54 1tl6 h ILE 19 Ca 0.00 -1.74 0.05 0.00 1.55 0.00 0.00 64.86 64.72 1tl6 h ILE 19 Cb 0.00 1.71 -0.07 0.00 -0.27 0.00 0.00 36.82 38.19 1tl6 h ILE 19 CO 0.00 0.54 -0.33 1.17 -1.05 0.00 0.00 178.15 178.48 1tl6 n LYS 20 N -3.98 -0.25 -1.90 0.16 3.00 -1.15 -1.90 118.16 112.15 1tl6 n LYS 20 Ca -0.03 1.23 -0.31 0.00 -0.00 0.00 0.00 58.31 59.21 1tl6 n LYS 20 Cb 0.58 -1.83 0.04 0.00 0.00 0.00 0.00 35.03 33.82 1tl6 n LYS 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1tl6 n PHE 21 N -4.27 3.07 0.00 5.64 -1.74 -1.26 -4.88 117.46 114.02 1tl6 n PHE 21 Ca 0.01 -2.66 0.00 0.00 -0.56 0.00 0.00 57.45 54.24 1tl6 n PHE 21 Cb 0.15 -0.76 0.00 0.00 1.52 0.00 0.00 39.48 40.38 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1tl6 n SER 22 N -0.69 0.00 -3.81 5.98 7.64 -0.80 -5.12 113.62 116.81 1tl6 n SER 22 Ca 0.50 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.26 1tl6 n SER 22 Cb 0.68 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.77 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1tl6 s ARG 23 N 0.61 0.36 0.15 1.43 3.00 -1.23 -5.04 118.95 118.23 1tl6 s ARG 23 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 55.73 55.77 1tl6 s ARG 23 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 34.95 35.07 1tl6 s ARG 23 CO 0.00 -0.07 1.35 1.49 0.00 0.00 0.00 175.30 178.07 1tl6 h GLU 24 N 5.19 0.34 -0.41 3.54 4.81 -1.98 -3.40 114.58 122.68 1tl6 h GLU 24 Ca -0.27 -0.35 0.12 0.00 -0.13 0.00 0.00 59.36 58.72 1tl6 h GLU 24 Cb 1.19 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1tl6 h GLU 24 CO 0.38 1.03 0.59 -0.44 -0.73 0.00 0.00 179.01 179.84 1tl6 h ASP 25 N 0.20 0.00 -0.12 1.04 5.19 -1.97 0.27 116.42 121.03 1tl6 h ASP 25 Ca -0.06 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 1tl6 h ASP 25 Cb 1.51 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.01 1tl6 h ASP 25 CO 0.15 0.00 -0.12 0.40 -3.12 0.00 0.00 179.24 176.55 1tl6 h ILE 26 N 0.00 1.35 0.00 0.35 2.04 -1.91 -3.20 117.51 116.14 1tl6 h ILE 26 Ca 0.19 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1tl6 h ILE 26 Cb 1.36 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1tl6 h ILE 26 CO -0.00 0.37 0.00 1.33 0.00 0.00 0.00 178.15 179.85 1tl6 n VAL 27 N -4.61 0.30 0.25 1.67 0.24 0.89 -2.11 118.33 114.96 1tl6 n VAL 27 Ca -0.07 0.07 0.11 0.00 -2.04 0.00 0.00 64.34 62.42 1tl6 n VAL 27 Cb 0.34 -0.66 0.64 0.00 -1.47 0.00 0.00 33.84 32.68 1tl6 n VAL 27 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1tl6 h GLU 28 N 0.00 0.00 -5.18 7.34 4.22 -1.39 -3.39 114.58 116.18 1tl6 h GLU 28 Ca 0.00 0.00 -0.51 0.00 0.08 0.00 0.00 59.36 58.93 1tl6 h GLU 28 Cb 0.34 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.29 1tl6 h GLU 28 CO 0.00 0.16 -0.82 -0.80 -2.18 0.00 0.00 179.01 175.37 1tl6 s ASN 29 N -6.22 1.83 0.46 1.04 0.02 -1.24 -5.05 114.94 105.77 1tl6 s ASN 29 Ca -0.02 -0.29 0.26 0.00 -1.02 0.00 0.00 52.86 51.79 1tl6 s ASN 29 Cb 0.13 -0.41 0.68 0.00 0.02 0.00 0.00 41.25 41.67 1tl6 s ASN 29 CO 0.61 0.14 1.73 0.08 0.02 0.00 0.00 177.10 179.68 1tl6 h ARG 30 N 6.13 0.00 0.30 -0.60 0.11 -1.82 -2.90 114.38 115.60 1tl6 h ARG 30 Ca -0.34 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.74 1tl6 h ARG 30 Cb 1.17 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.23 1tl6 h ARG 30 CO 0.48 0.00 -0.33 0.00 0.10 0.00 0.00 179.97 180.22 1tl6 h ALA 31 N 2.03 -1.00 -0.79 0.08 0.00 -1.96 -1.38 119.26 116.26 1tl6 h ALA 31 Ca 0.00 -0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.00 1tl6 h ALA 31 Cb 0.83 0.59 -0.15 0.00 0.00 0.00 0.00 17.79 19.07 1tl6 h ALA 31 CO 0.00 -1.02 -0.02 -1.71 0.00 0.00 0.00 179.25 176.50 1tl6 n ASN 32 N -4.40 -0.13 0.23 0.00 5.15 -1.23 -1.34 115.26 113.54 1tl6 n ASN 32 Ca -0.08 1.34 -0.15 0.00 -0.60 0.00 0.00 54.58 55.09 1tl6 n ASN 32 Cb 0.30 -0.47 -0.08 0.00 -0.53 0.00 0.00 39.78 39.00 1tl6 n ASN 32 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1tl6 h PHE 33 N 0.00 -0.69 -0.78 1.20 3.57 -1.15 -2.05 116.94 117.05 1tl6 h PHE 33 Ca 0.46 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 1tl6 h PHE 33 Cb 0.91 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 1tl6 h PHE 33 CO -0.44 -0.40 0.45 0.82 -2.23 0.00 0.00 178.31 176.52 1tl6 h ILE 34 N -0.62 1.23 -0.35 1.41 2.04 -1.09 -2.11 117.51 118.01 1tl6 h ILE 34 Ca -0.04 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1tl6 h ILE 34 Cb 0.53 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1tl6 h ILE 34 CO 0.02 0.24 0.14 0.00 0.00 0.00 0.00 178.15 178.55 1tl6 h ALA 35 N 1.24 0.45 -1.00 1.87 0.00 -1.13 0.16 119.26 120.85 1tl6 h ALA 35 Ca 0.28 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.31 1tl6 h ALA 35 Cb -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 1tl6 h ALA 35 CO -0.05 0.04 0.66 0.35 0.00 0.00 0.00 179.25 180.26 1tl6 h PHE 36 N 0.41 0.51 0.00 0.00 3.04 -1.23 -2.15 116.94 117.53 1tl6 h PHE 36 Ca 0.12 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1tl6 h PHE 36 Cb 0.17 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1tl6 h PHE 36 CO -0.01 0.08 0.00 1.28 -2.02 0.00 0.00 178.31 177.64 1tl6 n LEU 37 N -4.52 0.60 0.04 0.59 4.77 0.48 -2.81 117.00 116.14 1tl6 n LEU 37 Ca 0.23 0.61 -0.19 0.00 -0.03 0.00 0.00 56.01 56.62 1tl6 n LEU 37 Cb 0.86 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1tl6 n LEU 37 CO 0.30 -0.37 0.11 0.78 -1.33 0.00 0.00 177.39 176.88 1tl6 h ASN 38 N 0.00 0.89 -1.50 -1.43 2.35 -0.64 0.31 115.58 115.56 1tl6 h ASN 38 Ca 0.00 -0.70 0.43 0.00 -0.55 0.00 0.00 56.30 55.49 1tl6 h ASN 38 Cb 0.48 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 1tl6 h ASN 38 CO 0.00 1.50 1.07 -0.33 -1.65 0.00 0.00 177.43 178.02 1tl6 h GLU 39 N 0.40 0.01 0.00 0.81 4.39 -1.39 -1.65 114.58 117.14 1tl6 h GLU 39 Ca -0.12 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 1tl6 h GLU 39 Cb 1.66 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.28 1tl6 h GLU 39 CO 0.20 0.01 -1.68 -0.89 -1.16 0.00 0.00 179.01 175.48 1tl6 n ILE 40 N -4.11 0.77 -1.05 3.13 5.41 -1.10 -5.02 119.36 117.39 1tl6 n ILE 40 Ca 0.33 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1tl6 n ILE 40 Cb 1.55 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 40.07 1tl6 n ILE 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1tl6 n GLY 41 N 1.38 0.84 3.63 7.39 0.00 0.10 -5.00 105.19 113.53 1tl6 n GLY 41 Ca -0.10 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1tl6 n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tl6 s VAL 42 N -2.29 3.23 0.06 1.61 -7.23 -0.86 -4.93 120.40 110.00 1tl6 s VAL 42 Ca 0.00 0.26 -0.01 0.00 -1.81 0.00 0.00 61.98 60.42 1tl6 s VAL 42 Cb 0.00 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 1tl6 s VAL 42 CO 0.00 -0.10 0.22 0.42 -0.31 0.00 0.00 175.10 175.33 1tl6 s THR 43 N 6.07 5.37 0.28 5.32 -4.23 -1.26 -2.74 115.64 124.44 1tl6 s THR 43 Ca 0.87 -0.31 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1tl6 s THR 43 Cb -0.33 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 69.87 1tl6 s THR 43 CO 0.35 0.15 0.11 0.00 -0.54 0.00 0.00 174.62 174.70 1tl6 n HIS 44 N 0.35 0.03 -1.52 3.99 1.44 -0.50 -4.91 115.22 114.10 1tl6 n HIS 44 Ca -0.05 -1.86 -0.25 0.00 -2.01 0.00 0.00 57.72 53.55 1tl6 n HIS 44 Cb 0.51 0.02 -0.16 0.00 0.12 0.00 0.00 29.99 30.48 1tl6 n HIS 44 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1tl6 n GLU 45 N -0.62 0.21 0.00 -1.40 1.02 -1.26 -2.61 120.64 115.97 1tl6 n GLU 45 Ca -0.03 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1tl6 n GLU 45 Cb 0.43 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tl6 n GLY 46 N 6.02 2.84 3.33 0.62 0.00 -1.26 -4.97 105.19 111.76 1tl6 n GLY 46 Ca 0.61 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 1tl6 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tl6 s ARG 47 N -0.11 1.50 0.89 1.61 0.52 -1.07 -5.16 118.95 117.13 1tl6 s ARG 47 Ca 0.00 -1.84 -0.14 0.00 -0.52 0.00 0.00 55.73 53.24 1tl6 s ARG 47 Cb 0.00 -0.18 0.15 0.00 0.52 0.00 0.00 34.95 35.44 1tl6 s ARG 47 CO 0.00 -0.37 1.24 0.15 0.02 0.00 0.00 175.30 176.34 1tl6 s LYS 48 N -3.93 1.23 -0.25 3.54 3.01 -1.26 -1.41 119.74 120.67 1tl6 s LYS 48 Ca 0.36 -0.24 -0.13 0.00 -1.01 0.00 0.00 55.97 54.96 1tl6 s LYS 48 Cb 0.06 -1.92 -0.04 0.00 -1.01 0.00 0.00 37.83 34.92 1tl6 s LYS 48 CO 0.15 -2.03 0.26 -1.17 0.51 0.00 0.00 175.35 173.08 1tl6 s LEU 49 N -5.72 4.08 0.68 3.17 2.96 -1.11 -4.69 118.68 118.05 1tl6 s LEU 49 Ca 0.69 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.85 1tl6 s LEU 49 Cb -0.07 -2.27 0.12 0.00 0.50 0.00 0.00 46.19 44.48 1tl6 s LEU 49 CO 0.51 -0.05 0.93 0.20 -1.32 0.00 0.00 176.35 176.62 1tl6 s ASN 50 N 1.35 4.58 -0.05 3.68 0.01 -1.26 -4.82 114.94 118.43 1tl6 s ASN 50 Ca 0.11 -0.71 -0.21 0.00 -0.71 0.00 0.00 52.86 51.35 1tl6 s ASN 50 Cb -0.15 0.35 -0.15 0.00 0.41 0.00 0.00 41.25 41.71 1tl6 s ASN 50 CO 0.08 -1.73 0.87 -0.61 -1.51 0.00 0.00 177.10 174.20 1tl6 h GLN 51 N -0.26 -0.26 -1.03 -0.60 -0.00 -1.97 -3.33 115.11 107.67 1tl6 h GLN 51 Ca -0.31 0.02 0.38 0.00 -0.00 0.00 0.00 58.65 58.73 1tl6 h GLN 51 Cb 1.27 0.06 -0.13 0.00 0.00 0.00 0.00 27.48 28.69 1tl6 h GLN 51 CO 0.38 0.14 0.63 0.09 0.00 0.00 0.00 178.83 180.07 1tl6 n ASN 52 N -4.96 0.21 -0.63 -0.69 3.02 -1.26 -2.16 115.26 108.79 1tl6 n ASN 52 Ca -0.08 1.21 0.02 0.00 -0.03 0.00 0.00 54.58 55.71 1tl6 n ASN 52 Cb 0.26 -0.59 0.10 0.00 -0.61 0.00 0.00 39.78 38.93 1tl6 n ASN 52 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1tl6 n SER 53 N -4.51 1.68 -0.16 6.41 2.88 -1.25 -3.98 113.62 114.69 1tl6 n SER 53 Ca 0.32 -2.13 0.14 0.00 -1.33 0.00 0.00 58.87 55.87 1tl6 n SER 53 Cb 1.21 -0.35 0.48 0.00 -0.75 0.00 0.00 64.21 64.80 1tl6 n SER 53 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1tl6 h PHE 54 N 1.09 0.53 -0.06 0.66 -0.00 -1.70 -0.16 116.94 117.31 1tl6 h PHE 54 Ca 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 57.97 57.99 1tl6 h PHE 54 Cb 0.59 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.37 1tl6 h PHE 54 CO 0.21 0.22 -0.04 -2.13 -0.00 0.00 0.00 178.31 176.58 1tl6 n ARG 55 N -4.49 -0.03 0.00 6.09 0.63 -1.26 -3.04 116.66 114.57 1tl6 n ARG 55 Ca 0.13 0.66 0.13 0.00 -0.92 0.00 0.00 57.85 57.85 1tl6 n ARG 55 Cb 0.47 -0.98 0.46 0.00 0.45 0.00 0.00 32.46 32.86 1tl6 n ARG 55 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1tl6 n LYS 56 N -2.84 0.10 -0.03 -0.14 4.01 -0.13 -0.72 118.16 118.39 1tl6 n LYS 56 Ca 0.00 -0.03 -0.03 0.00 -0.51 0.00 0.00 58.31 57.74 1tl6 n LYS 56 Cb 0.02 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.02 1tl6 n LYS 56 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1tl6 h ILE 57 N 0.08 0.00 0.01 -0.18 1.08 -1.35 -3.40 117.51 113.76 1tl6 h ILE 57 Ca 0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 64.86 64.12 1tl6 h ILE 57 Cb 0.48 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.17 1tl6 h ILE 57 CO 0.00 0.00 -2.13 1.33 -0.69 0.00 0.00 178.15 176.66 1tl6 n VAL 58 N -3.31 1.52 -0.26 1.67 0.24 -1.04 -4.38 118.33 112.78 1tl6 n VAL 58 Ca -0.01 -0.77 0.07 0.00 -2.04 0.00 0.00 64.34 61.59 1tl6 n VAL 58 Cb 0.08 -0.94 0.20 0.00 -1.47 0.00 0.00 33.84 31.71 1tl6 n VAL 58 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1tl6 h SER 59 N 0.01 0.02 0.46 -1.34 0.87 -1.15 -1.90 113.55 110.51 1tl6 h SER 59 Ca -0.45 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1tl6 h SER 59 Cb 2.10 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 64.26 1tl6 h SER 59 CO 0.04 -0.05 0.00 -0.62 -0.53 0.00 0.00 176.83 175.67 1tl6 n GLU 60 N -5.16 0.14 -4.08 2.24 1.02 -1.26 -4.85 120.64 108.69 1tl6 n GLU 60 Ca 0.15 0.46 -0.32 0.00 -0.02 0.00 0.00 57.16 57.43 1tl6 n GLU 60 Cb 0.49 -1.81 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 1tl6 n GLU 60 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tl6 s LEU 61 N -4.16 3.88 0.13 -4.62 1.43 -0.72 -5.11 118.68 109.51 1tl6 s LEU 61 Ca 0.03 0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.31 1tl6 s LEU 61 Cb 0.08 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1tl6 s LEU 61 CO 0.29 0.23 -0.21 -0.89 0.23 0.00 0.00 176.35 176.01 1tl6 s THR 62 N -1.27 1.85 0.14 5.49 2.01 -1.26 -5.04 115.64 117.55 1tl6 s THR 62 Ca 0.25 -1.69 0.12 0.00 0.31 0.00 0.00 61.69 60.68 1tl6 s THR 62 Cb -0.12 -1.72 0.18 0.00 0.01 0.00 0.00 72.50 70.85 1tl6 s THR 62 CO 0.17 -0.10 0.40 1.67 -0.69 0.00 0.00 174.62 176.07 1tl6 n GLN 63 N 0.82 -0.00 -0.26 4.92 0.00 -1.26 -0.94 117.38 120.66 1tl6 n GLN 63 Ca -0.17 0.29 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 1tl6 n GLN 63 Cb 0.54 -0.64 0.04 0.00 0.00 0.00 0.00 30.24 30.18 1tl6 n GLN 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1tl6 n GLU 64 N -2.64 -0.14 -0.05 3.69 4.07 -1.26 -1.60 120.64 122.71 1tl6 n GLU 64 Ca 0.11 1.04 -0.09 0.00 -0.06 0.00 0.00 57.16 58.17 1tl6 n GLU 64 Cb 0.49 -1.55 -0.02 0.00 -0.06 0.00 0.00 31.44 30.30 1tl6 n GLU 64 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1tl6 h ASP 65 N 0.00 -0.92 -0.52 4.31 2.03 -1.45 -2.25 116.42 117.61 1tl6 h ASP 65 Ca 0.25 0.15 0.04 0.00 -0.73 0.00 0.00 57.03 56.75 1tl6 h ASP 65 Cb 0.42 0.42 -0.04 0.00 -0.83 0.00 0.00 39.33 39.29 1tl6 h ASP 65 CO -0.68 -0.32 0.27 0.50 -1.03 0.00 0.00 179.24 177.99 1tl6 h LYS 66 N -0.30 0.51 0.20 4.15 3.64 -1.52 0.13 116.57 123.39 1tl6 h LYS 66 Ca 0.13 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.15 1tl6 h LYS 66 Cb 0.51 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1tl6 h LYS 66 CO -0.41 0.34 -1.58 -0.22 -2.27 0.00 0.00 179.45 175.30 1tl6 h LYS 67 N 0.52 0.42 -0.30 1.90 1.63 -1.59 -2.86 116.57 116.30 1tl6 h LYS 67 Ca 0.23 -0.72 0.07 0.00 -0.85 0.00 0.00 60.65 59.38 1tl6 h LYS 67 Cb 0.13 0.27 -0.07 0.00 -0.60 0.00 0.00 32.23 31.96 1tl6 h LYS 67 CO -0.16 1.34 -0.15 1.15 -3.45 0.00 0.00 179.45 178.19 1tl6 h THR 68 N 0.04 0.55 0.90 1.00 2.02 -1.02 -1.98 112.91 114.43 1tl6 h THR 68 Ca -0.30 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1tl6 h THR 68 Cb 2.06 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1tl6 h THR 68 CO 0.19 0.00 -0.43 0.25 0.37 0.00 0.00 175.52 175.90 1tl6 h LEU 69 N -0.11 -1.03 -1.60 2.58 5.85 -1.12 -3.29 115.31 116.60 1tl6 h LEU 69 Ca 0.15 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1tl6 h LEU 69 Cb 0.34 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1tl6 h LEU 69 CO -0.36 -0.69 0.06 0.40 -0.34 0.00 0.00 178.44 177.50 1tl6 h ILE 70 N -1.31 1.11 -0.67 4.05 2.04 -1.43 0.65 117.51 121.96 1tl6 h ILE 70 Ca -0.12 -0.38 0.11 0.00 1.00 0.00 0.00 64.86 65.46 1tl6 h ILE 70 Cb 0.93 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 1tl6 h ILE 70 CO 0.20 0.14 0.25 -0.78 0.00 0.00 0.00 178.15 177.96 1tl6 h ASP 71 N 0.32 0.24 -0.04 1.72 3.58 -1.45 0.37 116.42 121.15 1tl6 h ASP 71 Ca 0.08 0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 1tl6 h ASP 71 Cb 0.12 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1tl6 h ASP 71 CO -0.00 0.12 -0.27 -0.33 -2.88 0.00 0.00 179.24 175.87 1tl6 h GLU 72 N 0.42 0.26 -0.52 0.28 5.08 -1.33 -3.40 114.58 115.37 1tl6 h GLU 72 Ca 0.35 -0.22 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1tl6 h GLU 72 Cb 0.47 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.65 1tl6 h GLU 72 CO -0.35 0.89 0.14 0.34 -1.00 0.00 0.00 179.01 179.02 1tl6 n PHE 73 N -4.48 1.68 -0.11 4.33 7.35 0.11 -4.68 117.46 121.66 1tl6 n PHE 73 Ca -0.09 -1.40 -0.07 0.00 -0.76 0.00 0.00 57.45 55.14 1tl6 n PHE 73 Cb 0.49 -0.57 -0.00 0.00 0.35 0.00 0.00 39.48 39.74 1tl6 n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1tl6 h ASN 74 N 1.53 -0.91 -0.73 -2.13 -1.24 -1.15 0.18 115.58 111.13 1tl6 h ASN 74 Ca 0.25 0.18 -0.06 0.00 0.71 0.00 0.00 56.30 57.38 1tl6 h ASN 74 Cb 1.96 0.45 -0.03 0.00 0.73 0.00 0.00 38.32 41.43 1tl6 h ASN 74 CO 0.55 -0.29 0.21 -0.33 -1.29 0.00 0.00 177.43 176.28 1tl6 h GLU 75 N -0.21 1.15 -0.49 6.67 5.08 -1.87 -0.97 114.58 123.93 1tl6 h GLU 75 Ca 0.18 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1tl6 h GLU 75 Cb 0.50 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1tl6 h GLU 75 CO -0.51 0.99 -0.19 0.78 -1.00 0.00 0.00 179.01 179.08 1tl6 h GLY 76 N 1.11 1.06 0.70 -3.84 0.00 -1.76 -2.01 103.07 98.32 1tl6 h GLY 76 Ca 0.23 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1tl6 h GLY 76 CO -0.00 0.83 -0.07 -2.75 0.00 0.00 0.00 176.54 174.55 1tl6 h PHE 77 N 0.85 -0.17 -1.00 5.60 3.57 -0.51 -3.03 116.94 122.26 1tl6 h PHE 77 Ca 0.12 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1tl6 h PHE 77 Cb 0.75 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 1tl6 h PHE 77 CO 0.05 0.14 0.65 0.93 -2.23 0.00 0.00 178.31 177.85 1tl6 h GLU 78 N -0.48 1.32 0.24 1.11 5.08 -1.20 -0.57 114.58 120.07 1tl6 h GLU 78 Ca -0.02 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1tl6 h GLU 78 Cb 0.38 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1tl6 h GLU 78 CO 0.03 0.88 -0.40 0.78 -1.00 0.00 0.00 179.01 179.30 1tl6 h GLY 79 N 1.36 -0.87 1.81 -3.84 0.00 -1.40 -2.11 103.07 98.01 1tl6 h GLY 79 Ca 0.36 0.47 -0.11 0.00 0.00 0.00 0.00 47.33 48.06 1tl6 h GLY 79 CO -0.08 -0.29 -0.42 -0.24 0.00 0.00 0.00 176.54 175.51 1tl6 h VAL 80 N -0.72 1.31 -0.65 4.60 3.04 -1.43 -2.86 116.25 119.55 1tl6 h VAL 80 Ca -0.00 -1.53 0.10 0.00 -1.01 0.00 0.00 66.70 64.26 1tl6 h VAL 80 Cb 0.69 1.71 -0.08 0.00 -2.01 0.00 0.00 31.29 31.60 1tl6 h VAL 80 CO -0.16 0.46 0.25 0.22 -1.01 0.00 0.00 177.57 177.33 1tl6 h TYR 81 N 0.18 0.43 0.00 3.17 5.03 -0.95 -0.02 116.97 124.81 1tl6 h TYR 81 Ca 0.02 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.27 1tl6 h TYR 81 Cb 0.82 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 1tl6 h TYR 81 CO 0.01 0.10 -0.42 0.00 -1.32 0.00 0.00 178.16 176.53 1tl6 h ARG 82 N 0.43 0.00 -0.35 1.82 3.08 -1.24 0.62 114.38 118.74 1tl6 h ARG 82 Ca 0.33 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 1tl6 h ARG 82 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1tl6 h ARG 82 CO -0.33 0.42 0.00 -0.92 -1.07 0.00 0.00 179.97 178.08 1tl6 h TYR 83 N 0.00 0.66 -0.65 3.04 5.03 -1.05 -1.63 116.97 122.37 1tl6 h TYR 83 Ca -0.00 -0.11 -0.05 0.00 2.58 0.00 0.00 58.73 61.14 1tl6 h TYR 83 Cb 0.81 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.88 1tl6 h TYR 83 CO 0.00 0.71 0.19 -0.07 -1.32 0.00 0.00 178.16 177.67 1tl6 h LEU 84 N 0.42 0.93 -0.26 2.82 4.07 -0.71 0.14 115.31 122.72 1tl6 h LEU 84 Ca 0.10 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1tl6 h LEU 84 Cb 0.45 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1tl6 h LEU 84 CO 0.02 0.88 0.02 -0.33 -1.08 0.00 0.00 178.44 177.94 1tl6 h GLU 85 N 0.96 0.45 0.20 1.13 5.08 -0.84 -2.73 114.58 118.84 1tl6 h GLU 85 Ca 0.21 -0.13 -0.32 0.00 -1.00 0.00 0.00 59.36 58.12 1tl6 h GLU 85 Cb 0.29 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.53 1tl6 h GLU 85 CO -0.01 0.60 -1.39 0.52 -1.00 0.00 0.00 179.01 177.74 1tl6 h MET 86 N 0.24 0.55 0.00 2.33 2.86 -1.07 -3.41 114.93 116.43 1tl6 h MET 86 Ca 0.08 -0.87 0.00 0.00 -2.06 0.00 0.00 59.70 56.85 1tl6 h MET 86 Cb 0.38 0.31 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1tl6 h MET 86 CO 0.01 1.41 -0.00 0.66 1.06 0.00 0.00 176.91 180.04 1tl6 n TYR 87 N -3.73 0.00 -3.60 -0.22 4.01 0.48 -5.09 117.16 109.01 1tl6 n TYR 87 Ca -0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.48 1tl6 n TYR 87 Cb 1.06 -0.19 -0.06 0.00 -0.31 0.00 0.00 39.34 39.84 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1tl6 s THR 88 N -1.01 0.00 -0.75 -0.72 -1.32 -1.03 -5.04 115.64 105.78 1tl6 s THR 88 Ca -0.00 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.44 1tl6 s THR 88 Cb 0.00 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.18 1tl6 s THR 88 CO 0.00 0.00 0.61 0.20 -2.21 0.00 0.00 174.62 173.22 1tl6 s ASN 89 N -0.49 5.69 0.00 8.08 -0.87 -1.26 -4.41 114.94 121.68 1tl6 s ASN 89 Ca -0.00 -3.17 0.00 0.00 -1.57 0.00 0.00 52.86 48.12 1tl6 s ASN 89 Cb -0.03 -1.92 0.00 0.00 -0.02 0.00 0.00 41.25 39.29 1tl6 s ASN 89 CO -0.01 -0.32 0.00 0.29 -2.57 0.00 0.00 177.10 174.49