#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl6 n LYS 3 N 0.00 1.06 -0.01 3.52 4.01 -1.26 -5.03 118.16 120.45 1tl6 n LYS 3 Ca 0.00 -1.00 -0.12 0.00 -0.51 0.00 0.00 58.31 56.69 1tl6 n LYS 3 Cb 0.00 0.46 -0.14 0.00 -0.51 0.00 0.00 35.03 34.84 1tl6 n LYS 3 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1tl6 h ASN 4 N 0.43 0.12 0.03 4.39 4.21 -1.98 -2.83 115.58 119.95 1tl6 h ASN 4 Ca -0.10 -0.25 -0.06 0.00 1.21 0.00 0.00 56.30 57.11 1tl6 h ASN 4 Cb 0.35 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1tl6 h ASN 4 CO 0.16 1.22 -0.27 0.40 -1.29 0.00 0.00 177.43 177.65 1tl6 h ILE 5 N 0.02 1.66 -0.78 2.81 2.04 -1.97 -2.05 117.51 119.24 1tl6 h ILE 5 Ca -0.30 -2.37 0.14 0.00 1.00 0.00 0.00 64.86 63.33 1tl6 h ILE 5 Cb 2.01 3.26 -0.14 0.00 -0.74 0.00 0.00 36.82 41.20 1tl6 h ILE 5 CO 0.09 0.61 -0.32 -0.78 0.00 0.00 0.00 178.15 177.74 1tl6 h ASP 6 N -0.88 -1.16 0.05 1.72 3.58 -1.97 0.26 116.42 118.01 1tl6 h ASP 6 Ca -0.06 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1tl6 h ASP 6 Cb 1.15 0.62 -0.01 0.00 1.72 0.00 0.00 39.33 42.81 1tl6 h ASP 6 CO 0.01 -0.29 -0.11 0.74 -2.88 0.00 0.00 179.24 176.71 1tl6 h THR 7 N -0.07 0.00 -0.84 2.25 2.02 -1.53 -3.11 112.91 111.63 1tl6 h THR 7 Ca 0.31 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.57 1tl6 h THR 7 Cb 0.58 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1tl6 h THR 7 CO -0.82 0.00 0.55 0.58 0.37 0.00 0.00 175.52 176.20 1tl6 h VAL 8 N -0.18 1.01 -0.17 3.16 2.07 -1.25 -2.72 116.25 118.18 1tl6 h VAL 8 Ca -0.00 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1tl6 h VAL 8 Cb 0.17 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1tl6 h VAL 8 CO -0.05 0.16 -0.28 0.08 0.02 0.00 0.00 177.57 177.51 1tl6 h ARG 9 N 0.88 0.32 0.29 1.57 0.11 -0.52 -2.50 114.38 114.52 1tl6 h ARG 9 Ca 0.37 -0.12 -0.01 0.00 0.10 0.00 0.00 59.98 60.32 1tl6 h ARG 9 Cb 0.31 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1tl6 h ARG 9 CO -0.14 0.57 -0.14 0.93 0.10 0.00 0.00 179.97 181.29 1tl6 h GLU 10 N 0.28 -0.37 -0.82 0.08 4.39 -1.42 -1.13 114.58 115.60 1tl6 h GLU 10 Ca 0.04 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.89 1tl6 h GLU 10 Cb 0.64 0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 29.24 1tl6 h GLU 10 CO 0.05 -0.15 -0.39 0.82 -1.16 0.00 0.00 179.01 178.18 1tl6 h ILE 11 N -0.52 0.06 -0.04 3.13 2.04 -1.22 -0.24 117.51 120.72 1tl6 h ILE 11 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1tl6 h ILE 11 Cb 0.39 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1tl6 h ILE 11 CO 0.06 0.00 -0.03 -0.29 0.00 0.00 0.00 178.15 177.90 1tl6 h ILE 12 N -0.08 1.35 -0.11 -0.67 2.10 -1.51 -2.45 117.51 116.13 1tl6 h ILE 12 Ca 0.28 -1.08 -0.02 0.00 1.08 0.00 0.00 64.86 65.13 1tl6 h ILE 12 Cb 0.57 1.99 -0.00 0.00 -1.09 0.00 0.00 36.82 38.28 1tl6 h ILE 12 CO -0.85 0.29 0.01 0.74 -1.08 0.00 0.00 178.15 177.26 1tl6 h THR 13 N -0.33 1.23 -0.24 2.19 2.02 -1.00 -2.52 112.91 114.26 1tl6 h THR 13 Ca 0.01 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1tl6 h THR 13 Cb 0.48 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1tl6 h THR 13 CO 0.01 0.21 0.13 0.58 0.37 0.00 0.00 175.52 176.82 1tl6 h VAL 14 N -0.06 1.11 -0.61 3.16 2.07 -1.12 -1.13 116.25 119.67 1tl6 h VAL 14 Ca 0.03 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 67.38 1tl6 h VAL 14 Cb 0.32 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 30.84 1tl6 h VAL 14 CO 0.00 0.11 -0.16 0.00 0.02 0.00 0.00 177.57 177.54 1tl6 h ALA 15 N 1.02 0.38 -0.46 1.67 0.00 -1.49 -2.48 119.26 117.90 1tl6 h ALA 15 Ca 0.09 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1tl6 h ALA 15 Cb 0.06 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1tl6 h ALA 15 CO -0.01 -0.44 -0.01 1.03 0.00 0.00 0.00 179.25 179.81 1tl6 h SER 16 N -0.01 0.80 -0.98 0.00 0.87 -0.98 0.30 113.55 113.54 1tl6 h SER 16 Ca 0.29 -0.31 0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1tl6 h SER 16 Cb 0.46 -0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 62.12 1tl6 h SER 16 CO -0.63 0.92 0.62 0.40 -0.53 0.00 0.00 176.83 177.60 1tl6 h ILE 17 N 0.66 0.87 0.06 2.23 2.04 -1.01 -2.87 117.51 119.49 1tl6 h ILE 17 Ca 0.13 -0.31 -0.24 0.00 1.00 0.00 0.00 64.86 65.44 1tl6 h ILE 17 Cb 0.51 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1tl6 h ILE 17 CO 0.03 0.16 -1.26 0.25 0.00 0.00 0.00 178.15 177.33 1tl6 h LEU 18 N 0.90 0.20 -1.09 1.44 6.46 -0.97 -3.40 115.31 118.86 1tl6 h LEU 18 Ca 0.50 -0.75 -0.04 0.00 -0.12 0.00 0.00 57.88 57.47 1tl6 h LEU 18 Cb 0.61 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1tl6 h LEU 18 CO -0.27 1.53 -0.19 0.16 -0.62 0.00 0.00 178.44 179.05 1tl6 h ILE 19 N -0.60 0.45 0.35 4.05 3.07 -0.36 -1.45 117.51 123.02 1tl6 h ILE 19 Ca -0.30 -1.05 -0.02 0.00 1.55 0.00 0.00 64.86 65.04 1tl6 h ILE 19 Cb 1.53 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 39.84 1tl6 h ILE 19 CO -0.05 0.18 -0.17 0.11 -1.05 0.00 0.00 178.15 177.18 1tl6 h LYS 20 N 0.00 -0.45 -3.18 0.16 1.79 -1.74 -3.38 116.57 109.77 1tl6 h LYS 20 Ca -0.00 0.03 -0.66 0.00 -2.18 0.00 0.00 60.65 57.84 1tl6 h LYS 20 Cb 0.74 0.10 -0.39 0.00 -1.58 0.00 0.00 32.23 31.10 1tl6 h LYS 20 CO 0.02 -0.14 -0.36 0.12 -1.08 0.00 0.00 179.45 178.02 1tl6 s PHE 21 N -4.55 3.72 0.00 -1.35 5.36 -1.18 -4.92 117.98 115.06 1tl6 s PHE 21 Ca -0.14 -3.21 0.00 0.00 -0.96 0.00 0.00 56.93 52.62 1tl6 s PHE 21 Cb 0.02 -2.94 0.00 0.00 -0.34 0.00 0.00 43.02 39.76 1tl6 s PHE 21 CO 0.52 -0.63 0.00 0.45 -1.46 0.00 0.00 175.22 174.10 1tl6 n SER 22 N 2.11 0.00 -4.06 6.13 2.88 -0.55 -4.77 113.62 115.36 1tl6 n SER 22 Ca 0.21 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.54 1tl6 n SER 22 Cb 0.36 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.67 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1tl6 s ARG 23 N 0.49 1.00 0.15 -1.46 1.81 -1.26 -5.01 118.95 114.67 1tl6 s ARG 23 Ca 0.00 -0.41 0.19 0.00 -1.72 0.00 0.00 55.73 53.79 1tl6 s ARG 23 Cb 0.00 -0.95 -0.05 0.00 -0.45 0.00 0.00 34.95 33.50 1tl6 s ARG 23 CO 0.00 0.23 0.98 0.93 -0.68 0.00 0.00 175.30 176.76 1tl6 h GLU 24 N 5.96 0.00 -1.00 3.54 3.07 -1.92 -3.40 114.58 120.83 1tl6 h GLU 24 Ca -0.33 0.00 0.40 0.00 -0.50 0.00 0.00 59.36 58.93 1tl6 h GLU 24 Cb 1.17 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.90 1tl6 h GLU 24 CO 0.49 0.17 0.48 -0.44 -1.40 0.00 0.00 179.01 178.32 1tl6 h ASP 25 N 0.00 0.24 -0.12 1.42 3.32 -1.96 -1.18 116.42 118.13 1tl6 h ASP 25 Ca -0.08 0.26 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 1tl6 h ASP 25 Cb 1.31 0.29 0.01 0.00 0.22 0.00 0.00 39.33 41.16 1tl6 h ASP 25 CO 0.03 -0.42 -0.61 0.40 -1.72 0.00 0.00 179.24 176.92 1tl6 h ILE 26 N 0.01 1.33 -0.12 0.35 2.04 -1.96 -3.36 117.51 115.80 1tl6 h ILE 26 Ca 0.82 -1.88 -0.19 0.00 1.00 0.00 0.00 64.86 64.60 1tl6 h ILE 26 Cb 2.13 2.12 0.01 0.00 -0.74 0.00 0.00 36.82 40.34 1tl6 h ILE 26 CO -0.78 0.58 -0.68 1.62 0.00 0.00 0.00 178.15 178.89 1tl6 h VAL 27 N 0.27 1.31 0.00 1.67 3.04 -1.60 -1.62 116.25 119.33 1tl6 h VAL 27 Ca -0.04 -1.93 0.00 0.00 -1.01 0.00 0.00 66.70 63.72 1tl6 h VAL 27 Cb 1.25 2.10 0.00 0.00 -2.01 0.00 0.00 31.29 32.63 1tl6 h VAL 27 CO 0.13 0.60 0.88 -1.84 -1.01 0.00 0.00 177.57 176.32 1tl6 n GLU 28 N -4.06 0.03 -3.32 4.17 -0.00 -0.53 -2.25 120.64 114.68 1tl6 n GLU 28 Ca -0.08 0.80 -0.17 0.00 -0.00 0.00 0.00 57.16 57.71 1tl6 n GLU 28 Cb 0.69 -2.32 -0.07 0.00 -0.00 0.00 0.00 31.44 29.74 1tl6 n GLU 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1tl6 s ASN 29 N -2.82 0.95 0.15 -1.84 3.84 -1.26 -5.06 114.94 108.91 1tl6 s ASN 29 Ca 0.00 -1.77 0.10 0.00 0.21 0.00 0.00 52.86 51.40 1tl6 s ASN 29 Cb 0.00 0.57 0.51 0.00 -0.55 0.00 0.00 41.25 41.78 1tl6 s ASN 29 CO 0.00 -0.23 0.57 0.54 -2.79 0.00 0.00 177.10 175.19 1tl6 n ARG 30 N 3.97 -0.02 -0.33 0.43 1.74 -0.95 -1.41 116.66 120.09 1tl6 n ARG 30 Ca 0.14 0.48 0.20 0.00 -0.77 0.00 0.00 57.85 57.90 1tl6 n ARG 30 Cb 0.46 -0.90 0.39 0.00 -1.02 0.00 0.00 32.46 31.39 1tl6 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tl6 h ALA 31 N 0.65 1.51 0.04 7.54 0.00 -1.89 0.60 119.26 127.70 1tl6 h ALA 31 Ca 0.31 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.53 1tl6 h ALA 31 Cb 0.92 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1tl6 h ALA 31 CO -0.22 -0.68 -0.02 -0.91 0.00 0.00 0.00 179.25 177.41 1tl6 h ASN 32 N 0.03 -0.04 -0.88 0.00 2.35 -1.44 -3.00 115.58 112.60 1tl6 h ASN 32 Ca 0.68 -0.52 0.22 0.00 -0.55 0.00 0.00 56.30 56.13 1tl6 h ASN 32 Cb 1.55 0.01 -0.16 0.00 0.05 0.00 0.00 38.32 39.77 1tl6 h ASN 32 CO -0.85 0.52 0.06 0.15 -1.65 0.00 0.00 177.43 175.66 1tl6 h PHE 33 N -0.62 0.03 0.33 1.19 3.57 -0.85 -2.71 116.94 117.87 1tl6 h PHE 33 Ca -0.01 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1tl6 h PHE 33 Cb 0.56 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1tl6 h PHE 33 CO 0.12 -0.31 -0.18 0.82 -2.23 0.00 0.00 178.31 176.52 1tl6 h ILE 34 N 0.09 0.63 0.00 1.41 5.03 -0.90 -1.91 117.51 121.85 1tl6 h ILE 34 Ca 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.26 1tl6 h ILE 34 Cb 1.01 0.63 0.00 0.00 -3.03 0.00 0.00 36.82 35.43 1tl6 h ILE 34 CO -0.77 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 176.70 1tl6 h ALA 35 N 0.19 1.00 0.00 1.87 0.00 -1.34 0.30 119.26 121.27 1tl6 h ALA 35 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tl6 h ALA 35 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tl6 h ALA 35 CO 0.06 0.00 -0.05 0.34 0.00 0.00 0.00 179.25 179.60 1tl6 n PHE 36 N -2.97 0.42 0.13 0.00 -0.00 -0.90 -1.14 117.46 113.00 1tl6 n PHE 36 Ca 0.01 0.12 0.02 0.00 -0.00 0.00 0.00 57.45 57.59 1tl6 n PHE 36 Cb 0.29 -0.68 0.01 0.00 -0.00 0.00 0.00 39.48 39.09 1tl6 n PHE 36 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1tl6 h LEU 37 N 0.00 0.00 -0.56 -2.13 3.38 -0.22 -3.14 115.31 112.65 1tl6 h LEU 37 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1tl6 h LEU 37 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1tl6 h LEU 37 CO 0.00 0.54 0.19 0.78 0.09 0.00 0.00 178.44 180.04 1tl6 h ASN 38 N 0.00 0.79 -0.94 -0.43 -0.26 -0.66 -2.90 115.58 111.19 1tl6 h ASN 38 Ca -0.01 -0.19 0.19 0.00 -0.56 0.00 0.00 56.30 55.72 1tl6 h ASN 38 Cb 1.42 -0.21 -0.18 0.00 -1.06 0.00 0.00 38.32 38.30 1tl6 h ASN 38 CO 0.07 0.77 -0.24 -0.08 -1.06 0.00 0.00 177.43 176.89 1tl6 h GLU 39 N 0.77 -0.00 -0.97 0.81 4.81 -1.14 -1.61 114.58 117.25 1tl6 h GLU 39 Ca 0.18 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.51 1tl6 h GLU 39 Cb 0.25 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 1tl6 h GLU 39 CO -0.01 -0.00 0.61 0.82 -0.73 0.00 0.00 179.01 179.70 1tl6 h ILE 40 N -0.00 0.97 0.00 2.32 2.04 -1.47 -3.47 117.51 117.89 1tl6 h ILE 40 Ca 0.45 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1tl6 h ILE 40 Cb 0.68 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1tl6 h ILE 40 CO -0.97 0.19 0.00 0.61 0.00 0.00 0.00 178.15 177.98 1tl6 n GLY 41 N -1.35 1.22 3.54 5.37 0.00 -0.60 -5.08 105.19 108.30 1tl6 n GLY 41 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1tl6 n GLY 41 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1tl6 n VAL 42 N -1.36 0.23 -4.36 1.61 0.24 -1.15 -4.99 118.33 108.55 1tl6 n VAL 42 Ca 0.00 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.34 61.54 1tl6 n VAL 42 Cb 0.00 -2.28 -0.10 0.00 -1.47 0.00 0.00 33.84 29.99 1tl6 n VAL 42 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1tl6 s THR 43 N 8.58 3.95 0.00 3.34 -4.23 -1.26 -2.85 115.64 123.18 1tl6 s THR 43 Ca 1.04 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1tl6 s THR 43 Cb -0.49 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1tl6 s THR 43 CO 0.38 0.40 0.00 0.00 -0.54 0.00 0.00 174.62 174.86 1tl6 n HIS 44 N 1.51 -0.81 -1.49 3.99 1.44 -0.60 -4.93 115.22 114.34 1tl6 n HIS 44 Ca -0.15 0.00 -0.51 0.00 -2.01 0.00 0.00 57.72 55.05 1tl6 n HIS 44 Cb 0.53 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.57 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 -0.27 1.23 -0.06 -1.40 -0.58 -1.26 -1.91 120.64 116.38 1tl6 n GLU 45 Ca 0.00 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1tl6 n GLU 45 Cb 0.00 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.38 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tl6 n GLY 46 N 6.13 0.00 3.04 0.62 0.00 -1.26 -4.87 105.19 108.85 1tl6 n GLY 46 Ca 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.12 0.45 0.36 1.61 0.52 -0.80 -5.12 118.95 115.84 1tl6 s ARG 47 Ca 0.00 -0.76 -0.26 0.00 -0.52 0.00 0.00 55.73 54.19 1tl6 s ARG 47 Cb 0.00 0.16 -0.12 0.00 0.52 0.00 0.00 34.95 35.51 1tl6 s ARG 47 CO 0.00 -0.09 1.00 1.63 0.02 0.00 0.00 175.30 177.86 1tl6 n LYS 48 N 1.08 1.36 -2.25 3.54 4.76 -1.26 -1.55 118.16 123.84 1tl6 n LYS 48 Ca -0.21 0.48 -0.43 0.00 -2.87 0.00 0.00 58.31 55.29 1tl6 n LYS 48 Cb 0.57 -1.95 -0.02 0.00 -1.84 0.00 0.00 35.03 31.79 1tl6 n LYS 48 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1tl6 s LEU 49 N -0.01 3.74 0.84 -0.35 2.96 -1.13 -4.76 118.68 119.97 1tl6 s LEU 49 Ca 0.61 1.23 -0.13 0.00 -0.22 0.00 0.00 54.13 55.62 1tl6 s LEU 49 Cb -0.62 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 42.64 1tl6 s LEU 49 CO 0.59 -1.33 1.19 0.20 -1.32 0.00 0.00 176.35 175.68 1tl6 s ASN 50 N 4.05 4.19 0.07 3.68 0.01 -1.26 -4.78 114.94 120.90 1tl6 s ASN 50 Ca 0.66 0.74 -0.17 0.00 -0.71 0.00 0.00 52.86 53.38 1tl6 s ASN 50 Cb -0.19 -1.18 -0.12 0.00 0.41 0.00 0.00 41.25 40.16 1tl6 s ASN 50 CO 0.29 -2.10 1.35 -0.61 -1.51 0.00 0.00 177.10 174.53 1tl6 h GLN 51 N -1.19 0.58 0.00 -0.60 4.15 -1.94 -2.89 115.11 113.22 1tl6 h GLN 51 Ca -0.46 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 58.61 1tl6 h GLN 51 Cb 1.32 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1tl6 h GLN 51 CO 0.62 0.95 0.00 0.09 -1.93 0.00 0.00 178.83 178.56 1tl6 n ASN 52 N -4.32 0.00 0.00 -0.69 3.02 -1.26 -3.63 115.26 108.38 1tl6 n ASN 52 Ca -0.05 0.33 0.06 0.00 -0.03 0.00 0.00 54.58 54.89 1tl6 n ASN 52 Cb 0.48 -0.43 0.35 0.00 -0.61 0.00 0.00 39.78 39.57 1tl6 n ASN 52 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1tl6 n SER 53 N -1.43 0.00 0.20 6.41 7.64 -1.09 -3.14 113.62 122.20 1tl6 n SER 53 Ca 0.07 -0.19 0.08 0.00 1.01 0.00 0.00 58.87 59.84 1tl6 n SER 53 Cb 0.22 -0.12 0.33 0.00 -1.01 0.00 0.00 64.21 63.63 1tl6 n SER 53 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1tl6 h PHE 54 N 0.00 0.00 0.45 1.43 3.57 -1.79 -1.85 116.94 118.75 1tl6 h PHE 54 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1tl6 h PHE 54 Cb 0.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1tl6 h PHE 54 CO 0.00 0.28 -0.22 0.07 -2.23 0.00 0.00 178.31 176.20 1tl6 h ARG 55 N 0.00 -0.60 -0.63 1.11 -0.00 -1.88 0.21 114.38 112.60 1tl6 h ARG 55 Ca -0.00 0.04 0.10 0.00 -0.00 0.00 0.00 59.98 60.12 1tl6 h ARG 55 Cb 0.93 0.14 -0.12 0.00 -0.00 0.00 0.00 29.97 30.92 1tl6 h ARG 55 CO 0.04 -0.40 -0.37 -0.22 -0.00 0.00 0.00 179.97 179.02 1tl6 h LYS 56 N -0.62 -0.16 -0.03 0.08 1.63 -1.74 -2.21 116.57 113.52 1tl6 h LYS 56 Ca -0.06 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1tl6 h LYS 56 Cb 0.48 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1tl6 h LYS 56 CO 0.10 -0.11 -0.03 0.82 -3.45 0.00 0.00 179.45 176.78 1tl6 h ILE 57 N -0.16 0.00 0.00 2.00 1.08 -1.33 -2.66 117.51 116.44 1tl6 h ILE 57 Ca 0.23 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.60 1tl6 h ILE 57 Cb 0.56 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1tl6 h ILE 57 CO -0.71 0.00 -0.46 1.62 -0.69 0.00 0.00 178.15 177.90 1tl6 h VAL 58 N -0.01 1.16 0.07 1.67 3.04 -0.13 -2.97 116.25 119.08 1tl6 h VAL 58 Ca 0.01 -1.69 -0.00 0.00 -1.01 0.00 0.00 66.70 64.01 1tl6 h VAL 58 Cb 0.02 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1tl6 h VAL 58 CO -0.03 0.45 -0.03 -1.28 -1.01 0.00 0.00 177.57 175.67 1tl6 h SER 59 N 0.00 -0.08 -1.22 3.17 0.87 -1.43 -3.09 113.55 111.77 1tl6 h SER 59 Ca -0.00 -0.51 0.38 0.00 -1.23 0.00 0.00 61.79 60.42 1tl6 h SER 59 Cb 0.92 0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 62.78 1tl6 h SER 59 CO 0.06 0.52 0.78 -0.33 -0.53 0.00 0.00 176.83 177.33 1tl6 h GLU 60 N -0.73 0.18 -6.10 2.24 4.39 -1.42 -3.37 114.58 109.77 1tl6 h GLU 60 Ca -0.01 -0.01 -0.58 0.00 0.34 0.00 0.00 59.36 59.10 1tl6 h GLU 60 Cb 0.59 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.09 1tl6 h GLU 60 CO 0.02 0.12 0.79 -0.51 -1.16 0.00 0.00 179.01 178.27 1tl6 s LEU 61 N -9.55 3.75 0.00 1.33 1.43 -1.13 -4.97 118.68 109.54 1tl6 s LEU 61 Ca -0.08 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1tl6 s LEU 61 Cb 0.28 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1tl6 s LEU 61 CO 0.81 -1.48 0.00 0.35 0.23 0.00 0.00 176.35 176.26 1tl6 n THR 62 N 6.32 0.00 -0.02 5.49 -2.24 -1.26 -4.88 114.28 117.68 1tl6 n THR 62 Ca 0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1tl6 n THR 62 Cb 0.48 -1.11 0.29 0.00 -2.10 0.00 0.00 70.33 67.89 1tl6 n THR 62 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1tl6 h GLN 63 N 0.00 0.57 -0.69 -0.78 4.15 -1.97 -2.53 115.11 113.87 1tl6 h GLN 63 Ca 0.00 -0.11 0.15 0.00 0.77 0.00 0.00 58.65 59.45 1tl6 h GLN 63 Cb 0.00 -0.09 -0.11 0.00 0.21 0.00 0.00 27.48 27.49 1tl6 h GLN 63 CO 0.00 0.56 0.10 0.93 -1.93 0.00 0.00 178.83 178.49 1tl6 h GLU 64 N 0.55 0.19 0.42 1.69 4.39 -1.98 -2.29 114.58 117.56 1tl6 h GLU 64 Ca 0.12 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1tl6 h GLU 64 Cb 0.29 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1tl6 h GLU 64 CO 0.00 0.13 -0.20 0.22 -1.16 0.00 0.00 179.01 178.00 1tl6 h ASP 65 N 0.20 -0.48 -0.04 1.42 3.58 -1.80 -3.07 116.42 116.23 1tl6 h ASP 65 Ca 0.38 -0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.77 1tl6 h ASP 65 Cb 0.63 0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.76 1tl6 h ASP 65 CO -0.52 -0.16 -0.25 0.11 -2.88 0.00 0.00 179.24 175.53 1tl6 h LYS 66 N -0.82 -0.36 0.00 0.28 1.57 -1.09 0.00 116.57 116.15 1tl6 h LYS 66 Ca -0.06 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1tl6 h LYS 66 Cb 0.55 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1tl6 h LYS 66 CO 0.10 -0.24 -0.91 -0.22 -0.57 0.00 0.00 179.45 177.60 1tl6 h LYS 67 N -0.37 0.00 -0.05 3.15 1.63 -1.73 -3.13 116.57 116.06 1tl6 h LYS 67 Ca 0.07 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1tl6 h LYS 67 Cb 0.47 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1tl6 h LYS 67 CO -0.25 0.85 0.03 1.15 -3.45 0.00 0.00 179.45 177.78 1tl6 h THR 68 N 0.00 1.06 0.62 1.00 2.02 -1.02 -1.08 112.91 115.51 1tl6 h THR 68 Ca -0.02 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1tl6 h THR 68 Cb 1.68 1.08 0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1tl6 h THR 68 CO 0.11 0.05 -0.30 0.25 0.37 0.00 0.00 175.52 176.01 1tl6 h LEU 69 N 0.01 -0.70 -0.12 2.58 6.46 -1.05 0.89 115.31 123.39 1tl6 h LEU 69 Ca 0.02 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1tl6 h LEU 69 Cb 0.06 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1tl6 h LEU 69 CO -0.00 -0.37 -0.05 -0.38 -0.62 0.00 0.00 178.44 177.01 1tl6 n ILE 70 N -4.95 -0.07 -0.06 4.05 5.41 -1.19 -0.26 119.36 122.30 1tl6 n ILE 70 Ca -0.10 0.28 -0.14 0.00 1.00 0.00 0.00 62.75 63.79 1tl6 n ILE 70 Cb 0.33 -0.37 -0.07 0.00 -0.71 0.00 0.00 39.64 38.82 1tl6 n ILE 70 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1tl6 h ASP 71 N 0.00 0.59 -0.16 4.38 3.58 0.03 -3.25 116.42 121.58 1tl6 h ASP 71 Ca 0.03 -0.54 -0.07 0.00 0.42 0.00 0.00 57.03 56.87 1tl6 h ASP 71 Cb 0.06 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 1tl6 h ASP 71 CO -0.12 1.02 -0.18 -0.08 -2.88 0.00 0.00 179.24 177.00 1tl6 h GLU 72 N 0.18 0.41 -3.32 0.28 4.81 -0.66 -3.41 114.58 112.87 1tl6 h GLU 72 Ca 0.01 -0.22 -0.57 0.00 -0.13 0.00 0.00 59.36 58.45 1tl6 h GLU 72 Cb 0.91 0.01 -0.40 0.00 0.63 0.00 0.00 28.75 29.90 1tl6 h GLU 72 CO 0.07 0.79 -0.76 0.12 -0.73 0.00 0.00 179.01 178.50 1tl6 s PHE 73 N -4.28 1.32 0.04 0.92 5.36 0.65 -4.99 117.98 117.00 1tl6 s PHE 73 Ca -0.14 -1.51 -0.17 0.00 -0.96 0.00 0.00 56.93 54.15 1tl6 s PHE 73 Cb 0.06 -1.49 -0.24 0.00 -0.34 0.00 0.00 43.02 41.01 1tl6 s PHE 73 CO 0.77 -0.86 1.13 -0.91 -1.46 0.00 0.00 175.22 173.88 1tl6 h ASN 74 N 8.14 0.74 -0.77 6.13 4.21 -1.77 -3.34 115.58 128.91 1tl6 h ASN 74 Ca -0.15 -0.77 0.07 0.00 1.21 0.00 0.00 56.30 56.66 1tl6 h ASN 74 Cb 1.01 -0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 37.93 1tl6 h ASN 74 CO 0.46 1.41 0.50 -0.08 -1.29 0.00 0.00 177.43 178.44 1tl6 h GLU 75 N 0.15 0.79 -0.52 0.81 4.81 -1.94 -0.36 114.58 118.31 1tl6 h GLU 75 Ca -0.12 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1tl6 h GLU 75 Cb 1.56 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1tl6 h GLU 75 CO 0.17 0.52 0.27 0.78 -0.73 0.00 0.00 179.01 180.03 1tl6 h GLY 76 N 0.81 0.80 0.65 1.92 0.00 -1.96 0.76 103.07 106.05 1tl6 h GLY 76 Ca 0.33 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1tl6 h GLY 76 CO -0.12 0.36 -0.08 -2.75 0.00 0.00 0.00 176.54 173.95 1tl6 h PHE 77 N 0.70 -0.22 -0.45 5.60 3.57 -1.59 -3.02 116.94 121.54 1tl6 h PHE 77 Ca 0.18 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1tl6 h PHE 77 Cb 0.08 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 38.80 1tl6 h PHE 77 CO -0.01 0.13 -0.27 1.49 -2.23 0.00 0.00 178.31 177.42 1tl6 h GLU 78 N -0.59 -0.17 -0.47 1.11 4.81 -0.99 0.22 114.58 118.49 1tl6 h GLU 78 Ca -0.02 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1tl6 h GLU 78 Cb 0.44 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1tl6 h GLU 78 CO 0.04 -0.11 0.10 0.78 -0.73 0.00 0.00 179.01 179.08 1tl6 h GLY 79 N -0.18 0.77 1.75 1.92 0.00 -0.93 -1.96 103.07 104.44 1tl6 h GLY 79 Ca 0.20 -0.43 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 1tl6 h GLY 79 CO -0.55 0.41 -1.17 -0.39 0.00 0.00 0.00 176.54 174.84 1tl6 h VAL 80 N 0.69 1.52 -0.41 4.60 -1.51 -1.33 -2.71 116.25 117.10 1tl6 h VAL 80 Ca 0.15 -3.24 0.01 0.00 -1.23 0.00 0.00 66.70 62.39 1tl6 h VAL 80 Cb 0.28 2.78 -0.02 0.00 -2.13 0.00 0.00 31.29 32.20 1tl6 h VAL 80 CO 0.00 0.88 0.25 0.22 -1.23 0.00 0.00 177.57 177.69 1tl6 h TYR 81 N 0.01 0.48 -0.28 5.19 3.20 -0.76 0.17 116.97 124.97 1tl6 h TYR 81 Ca -0.08 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 1tl6 h TYR 81 Cb 1.84 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.94 1tl6 h TYR 81 CO 0.01 0.29 -0.05 0.00 -1.64 0.00 0.00 178.16 176.77 1tl6 h ARG 82 N 0.52 0.53 0.64 1.82 3.08 -1.46 -3.07 114.38 116.45 1tl6 h ARG 82 Ca 0.15 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1tl6 h ARG 82 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1tl6 h ARG 82 CO -0.05 0.72 -0.34 -0.92 -1.07 0.00 0.00 179.97 178.31 1tl6 h TYR 83 N 0.30 -0.89 -0.15 3.04 5.03 -1.28 -3.10 116.97 119.91 1tl6 h TYR 83 Ca 0.07 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 1tl6 h TYR 83 Cb 0.51 0.31 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 1tl6 h TYR 83 CO 0.05 -0.54 -0.12 -0.07 -1.32 0.00 0.00 178.16 176.16 1tl6 h LEU 84 N -0.91 0.22 -0.30 2.82 3.38 -0.74 0.18 115.31 119.96 1tl6 h LEU 84 Ca -0.08 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1tl6 h LEU 84 Cb 0.71 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1tl6 h LEU 84 CO 0.12 0.37 -0.19 -0.08 0.09 0.00 0.00 178.44 178.75 1tl6 h GLU 85 N 0.23 0.66 0.14 1.13 4.81 -1.59 -2.23 114.58 117.73 1tl6 h GLU 85 Ca 0.05 -0.31 -0.30 0.00 -0.13 0.00 0.00 59.36 58.67 1tl6 h GLU 85 Cb 0.36 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.75 1tl6 h GLU 85 CO 0.02 0.90 -1.27 0.52 -0.73 0.00 0.00 179.01 178.45 1tl6 h MET 86 N 0.42 0.58 0.00 1.92 2.86 -1.37 -3.42 114.93 115.92 1tl6 h MET 86 Ca 0.06 -0.80 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1tl6 h MET 86 Cb 0.73 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1tl6 h MET 86 CO 0.05 1.36 0.00 0.66 1.06 0.00 0.00 176.91 180.05 1tl6 n TYR 87 N -3.76 0.00 0.06 -0.22 4.01 0.58 -5.03 117.16 112.80 1tl6 n TYR 87 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1tl6 n TYR 87 Cb 1.00 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1tl6 n TYR 87 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1tl6 n THR 88 N -1.71 0.00 -3.80 -0.72 5.66 -0.86 -5.02 114.28 107.84 1tl6 n THR 88 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1tl6 n THR 88 Cb 0.00 -0.39 -0.12 0.00 -1.55 0.00 0.00 70.33 68.27 1tl6 n THR 88 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1tl6 s ASN 89 N -4.37 5.20 0.00 1.09 3.84 -1.11 -5.05 114.94 114.55 1tl6 s ASN 89 Ca 0.00 -2.10 0.32 0.00 0.21 0.00 0.00 52.86 51.28 1tl6 s ASN 89 Cb 0.00 -1.81 1.88 0.00 -0.55 0.00 0.00 41.25 40.77 1tl6 s ASN 89 CO 0.00 -0.52 2.20 2.29 -2.79 0.00 0.00 177.10 178.29