#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 1.68 0.31 3.52 -0.14 -1.26 -4.98 119.74 118.86 1tl6 s LYS 3 Ca 0.00 -2.30 0.13 0.00 -1.36 0.00 0.00 55.97 52.44 1tl6 s LYS 3 Cb 0.00 -2.99 0.46 0.00 -1.68 0.00 0.00 37.83 33.62 1tl6 s LYS 3 CO 0.00 -1.10 1.65 -0.91 -0.76 0.00 0.00 175.35 174.23 1tl6 h ASN 4 N 6.77 0.00 1.01 2.83 2.35 -2.00 -2.99 115.58 123.56 1tl6 h ASN 4 Ca -0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1tl6 h ASN 4 Cb 0.92 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 1tl6 h ASN 4 CO 0.60 0.54 -0.35 -0.29 -1.65 0.00 0.00 177.43 176.29 1tl6 h ILE 5 N 0.00 0.76 0.00 2.81 2.10 -1.95 -1.88 117.51 119.34 1tl6 h ILE 5 Ca -0.01 -1.53 -0.11 0.00 1.08 0.00 0.00 64.86 64.30 1tl6 h ILE 5 Cb 1.03 1.98 -0.02 0.00 -1.09 0.00 0.00 36.82 38.72 1tl6 h ILE 5 CO 0.07 0.34 -0.52 0.44 -1.08 0.00 0.00 178.15 177.40 1tl6 h ASP 6 N 0.00 0.00 -0.49 2.19 3.32 -1.96 0.22 116.42 119.70 1tl6 h ASP 6 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1tl6 h ASP 6 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1tl6 h ASP 6 CO 0.05 0.52 0.26 0.74 -1.72 0.00 0.00 179.24 179.09 1tl6 h THR 7 N 0.00 1.18 0.14 0.35 2.02 -1.30 -3.14 112.91 112.16 1tl6 h THR 7 Ca -0.01 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1tl6 h THR 7 Cb 1.02 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1tl6 h THR 7 CO 0.07 0.19 -0.07 0.58 0.37 0.00 0.00 175.52 176.66 1tl6 h VAL 8 N 0.65 1.01 -0.75 3.16 2.07 -1.23 -2.52 116.25 118.64 1tl6 h VAL 8 Ca 0.17 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.74 1tl6 h VAL 8 Cb 0.07 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1tl6 h VAL 8 CO -0.03 0.23 0.49 0.08 0.02 0.00 0.00 177.57 178.36 1tl6 h ARG 9 N -0.71 0.76 -0.50 1.57 0.11 -0.70 0.12 114.38 115.03 1tl6 h ARG 9 Ca -0.02 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 1tl6 h ARG 9 Cb 0.52 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 1tl6 h ARG 9 CO 0.03 0.50 0.28 0.93 0.10 0.00 0.00 179.97 181.82 1tl6 h GLU 10 N 0.78 0.67 -0.44 0.08 5.08 -1.58 -1.47 114.58 117.70 1tl6 h GLU 10 Ca 0.33 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1tl6 h GLU 10 Cb 0.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1tl6 h GLU 10 CO -0.11 0.48 -0.14 0.82 -1.00 0.00 0.00 179.01 179.07 1tl6 h ILE 11 N 0.68 1.27 -0.21 3.13 1.08 -0.53 -0.46 117.51 122.48 1tl6 h ILE 11 Ca 0.18 -1.26 -0.16 0.00 -0.39 0.00 0.00 64.86 63.23 1tl6 h ILE 11 Cb -0.00 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1tl6 h ILE 11 CO -0.03 0.43 -0.49 0.40 -0.69 0.00 0.00 178.15 177.77 1tl6 h ILE 12 N 0.71 1.31 0.62 -0.67 2.04 -1.32 -2.11 117.51 118.09 1tl6 h ILE 12 Ca 0.11 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 1tl6 h ILE 12 Cb 0.69 1.83 0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1tl6 h ILE 12 CO 0.05 0.54 -0.30 0.74 0.00 0.00 0.00 178.15 179.18 1tl6 h THR 13 N 0.42 0.12 -0.74 -0.27 2.02 -1.24 -2.39 112.91 110.84 1tl6 h THR 13 Ca -0.00 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 1tl6 h THR 13 Cb 1.10 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1tl6 h THR 13 CO 0.11 0.02 0.23 0.58 0.37 0.00 0.00 175.52 176.83 1tl6 h VAL 14 N -1.16 1.26 -0.08 3.16 2.07 -1.16 0.56 116.25 120.91 1tl6 h VAL 14 Ca -0.08 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.38 1tl6 h VAL 14 Cb 0.67 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1tl6 h VAL 14 CO 0.14 0.36 -0.61 0.00 0.02 0.00 0.00 177.57 177.48 1tl6 h ALA 15 N 1.15 0.81 0.24 1.67 0.00 -1.49 -2.12 119.26 119.52 1tl6 h ALA 15 Ca 0.24 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1tl6 h ALA 15 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1tl6 h ALA 15 CO -0.01 0.73 -0.11 1.03 0.00 0.00 0.00 179.25 180.89 1tl6 h SER 16 N 0.20 -0.27 -0.87 0.00 0.87 -1.07 -2.61 113.55 109.81 1tl6 h SER 16 Ca -0.01 -0.14 0.16 0.00 -1.23 0.00 0.00 61.79 60.57 1tl6 h SER 16 Cb 1.12 0.07 -0.16 0.00 -0.44 0.00 0.00 62.40 63.00 1tl6 h SER 16 CO 0.10 -0.01 -0.28 0.40 -0.53 0.00 0.00 176.83 176.50 1tl6 h ILE 17 N -0.53 0.09 -0.16 2.23 2.04 -0.79 0.21 117.51 120.59 1tl6 h ILE 17 Ca -0.03 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.68 1tl6 h ILE 17 Cb 0.40 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1tl6 h ILE 17 CO 0.05 0.00 -0.50 0.25 0.00 0.00 0.00 178.15 177.95 1tl6 h LEU 18 N -0.03 0.49 0.03 1.44 6.46 -1.40 -3.06 115.31 119.24 1tl6 h LEU 18 Ca 0.38 -0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1tl6 h LEU 18 Cb 0.62 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1tl6 h LEU 18 CO -0.90 0.91 -0.16 0.16 -0.62 0.00 0.00 178.44 177.83 1tl6 h ILE 19 N 0.35 1.74 0.00 4.05 3.07 -0.88 0.15 117.51 125.99 1tl6 h ILE 19 Ca 0.01 -2.38 0.00 0.00 1.55 0.00 0.00 64.86 64.05 1tl6 h ILE 19 Cb 1.01 3.35 0.00 0.00 -0.27 0.00 0.00 36.82 40.91 1tl6 h ILE 19 CO 0.09 0.63 0.00 1.17 -1.05 0.00 0.00 178.15 178.99 1tl6 n LYS 20 N -4.52 0.00 -0.26 0.16 3.00 0.64 -3.51 118.16 113.67 1tl6 n LYS 20 Ca -0.11 0.42 0.08 0.00 -0.00 0.00 0.00 58.31 58.70 1tl6 n LYS 20 Cb 0.55 -0.68 0.19 0.00 0.00 0.00 0.00 35.03 35.08 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 -1.78 0.51 0.00 5.64 1.16 -1.16 -4.94 117.46 116.89 1tl6 n PHE 21 Ca 0.00 -0.86 0.00 0.00 -1.87 0.00 0.00 57.45 54.72 1tl6 n PHE 21 Cb 0.00 -0.21 0.00 0.00 -1.61 0.00 0.00 39.48 37.66 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1tl6 n SER 22 N -0.73 0.00 -3.72 5.98 2.88 -1.12 -5.06 113.62 111.86 1tl6 n SER 22 Ca 0.17 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.47 1tl6 n SER 22 Cb 0.71 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.00 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1tl6 s ARG 23 N 0.43 0.40 0.11 -1.46 6.06 0.51 -4.96 118.95 120.03 1tl6 s ARG 23 Ca 0.00 0.02 -0.06 0.00 -2.50 0.00 0.00 55.73 53.19 1tl6 s ARG 23 Cb 0.00 -1.24 -0.17 0.00 0.06 0.00 0.00 34.95 33.60 1tl6 s ARG 23 CO 0.00 -0.43 1.24 1.49 -2.50 0.00 0.00 175.30 175.10 1tl6 h GLU 24 N 8.35 0.42 -1.84 5.12 4.81 -1.80 -3.22 114.58 126.41 1tl6 h GLU 24 Ca -0.17 -0.51 0.54 0.00 -0.13 0.00 0.00 59.36 59.09 1tl6 h GLU 24 Cb 1.13 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 1tl6 h GLU 24 CO 0.26 1.18 1.32 -0.25 -0.73 0.00 0.00 179.01 180.78 1tl6 n ASP 25 N -3.71 0.02 0.22 1.04 9.92 -1.26 -0.27 116.55 122.51 1tl6 n ASP 25 Ca -0.08 0.97 0.12 0.00 -0.53 0.00 0.00 54.79 55.27 1tl6 n ASP 25 Cb 0.90 -0.49 0.28 0.00 -0.64 0.00 0.00 41.12 41.17 1tl6 n ASP 25 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1tl6 h ILE 26 N 0.00 0.17 0.00 0.53 2.04 -1.93 -3.34 117.51 114.98 1tl6 h ILE 26 Ca 0.89 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1tl6 h ILE 26 Cb 3.53 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 41.54 1tl6 h ILE 26 CO -0.04 0.09 -1.06 1.62 0.00 0.00 0.00 178.15 178.75 1tl6 h VAL 27 N 0.00 0.24 0.00 1.67 3.04 -0.83 -2.82 116.25 117.55 1tl6 h VAL 27 Ca -0.00 -1.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.24 1tl6 h VAL 27 Cb 0.93 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 1tl6 h VAL 27 CO 0.01 0.14 0.00 -1.84 -1.01 0.00 0.00 177.57 174.87 1tl6 n GLU 28 N -2.82 0.08 -3.56 4.17 -0.00 -1.08 -4.23 120.64 113.20 1tl6 n GLU 28 Ca -0.03 0.26 -0.13 0.00 -0.00 0.00 0.00 57.16 57.26 1tl6 n GLU 28 Cb 0.67 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 30.50 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 -2.71 0.42 0.02 -1.84 3.84 -1.26 -5.08 114.94 108.34 1tl6 s ASN 29 Ca 0.07 0.43 -0.05 0.00 0.21 0.00 0.00 52.86 53.52 1tl6 s ASN 29 Cb 0.05 0.84 -0.01 0.00 -0.55 0.00 0.00 41.25 41.58 1tl6 s ASN 29 CO 0.13 -0.27 0.39 0.54 -2.79 0.00 0.00 177.10 175.11 1tl6 n ARG 30 N 5.35 -0.07 0.29 0.43 3.00 -1.26 -1.56 116.66 122.85 1tl6 n ARG 30 Ca -0.06 0.39 0.17 0.00 -0.01 0.00 0.00 57.85 58.34 1tl6 n ARG 30 Cb 0.50 -0.58 0.86 0.00 0.00 0.00 0.00 32.46 33.24 1tl6 n ARG 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tl6 h ALA 31 N -0.09 1.12 0.00 7.54 0.00 -1.96 -1.93 119.26 123.93 1tl6 h ALA 31 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1tl6 h ALA 31 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1tl6 h ALA 31 CO -0.14 0.06 -0.67 -0.91 0.00 0.00 0.00 179.25 177.59 1tl6 h ASN 32 N 0.00 0.00 0.14 0.00 4.21 -1.54 -1.91 115.58 116.48 1tl6 h ASN 32 Ca -0.00 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.33 1tl6 h ASN 32 Cb 0.29 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.51 1tl6 h ASN 32 CO 0.01 0.05 -0.78 0.15 -1.29 0.00 0.00 177.43 175.57 1tl6 h PHE 33 N 0.00 0.52 -0.32 1.19 3.57 -1.01 -2.62 116.94 118.26 1tl6 h PHE 33 Ca -0.01 -0.38 0.07 0.00 3.53 0.00 0.00 57.97 61.18 1tl6 h PHE 33 Cb 1.05 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.68 1tl6 h PHE 33 CO 0.00 1.30 -0.30 0.82 -2.23 0.00 0.00 178.31 177.90 1tl6 h ILE 34 N -0.40 0.29 -0.94 1.41 2.04 -1.47 -1.99 117.51 116.45 1tl6 h ILE 34 Ca -0.14 0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.97 1tl6 h ILE 34 Cb 1.61 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1tl6 h ILE 34 CO 0.15 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.94 1tl6 h ALA 35 N 0.75 2.50 0.00 1.87 0.00 -1.32 0.46 119.26 123.52 1tl6 h ALA 35 Ca 0.16 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1tl6 h ALA 35 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1tl6 h ALA 35 CO -0.47 -0.80 -0.73 0.35 0.00 0.00 0.00 179.25 177.60 1tl6 h PHE 36 N 0.23 0.00 0.00 0.00 3.57 -0.97 -2.14 116.94 117.63 1tl6 h PHE 36 Ca 0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1tl6 h PHE 36 Cb 1.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.24 1tl6 h PHE 36 CO -0.00 0.73 0.00 1.28 -2.23 0.00 0.00 178.31 178.09 1tl6 n LEU 37 N -3.57 0.74 0.13 0.59 4.77 -0.24 -1.99 117.00 117.43 1tl6 n LEU 37 Ca -0.00 0.61 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 1tl6 n LEU 37 Cb 0.74 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1tl6 n LEU 37 CO 0.43 -0.33 0.26 0.78 -1.33 0.00 0.00 177.39 177.20 1tl6 h ASN 38 N 0.00 0.00 0.22 -1.43 -0.26 -0.36 -2.11 115.58 111.65 1tl6 h ASN 38 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1tl6 h ASN 38 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1tl6 h ASN 38 CO 0.00 0.15 -0.11 -0.08 -1.06 0.00 0.00 177.43 176.33 1tl6 h GLU 39 N 0.00 -0.29 -1.01 0.81 4.22 -0.90 -3.14 114.58 114.27 1tl6 h GLU 39 Ca -0.03 0.02 0.26 0.00 0.08 0.00 0.00 59.36 59.69 1tl6 h GLU 39 Cb 1.13 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.37 1tl6 h GLU 39 CO 0.01 0.03 0.67 0.82 -2.18 0.00 0.00 179.01 178.37 1tl6 h ILE 40 N -0.65 0.56 0.00 2.32 2.04 -1.61 -3.46 117.51 116.71 1tl6 h ILE 40 Ca -0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1tl6 h ILE 40 Cb 0.46 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1tl6 h ILE 40 CO 0.05 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1tl6 n GLY 41 N -1.53 0.90 3.55 5.37 0.00 -1.19 -5.09 105.19 107.20 1tl6 n GLY 41 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1tl6 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tl6 s VAL 42 N -1.71 4.78 0.12 1.61 1.01 -0.80 -5.05 120.40 120.37 1tl6 s VAL 42 Ca 0.00 0.45 0.11 0.00 0.00 0.00 0.00 61.98 62.54 1tl6 s VAL 42 Cb 0.00 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1tl6 s VAL 42 CO 0.00 -0.52 -0.26 0.42 0.00 0.00 0.00 175.10 174.73 1tl6 s THR 43 N 2.96 2.20 0.00 3.92 -4.23 -1.26 -4.37 115.64 114.86 1tl6 s THR 43 Ca 0.26 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1tl6 s THR 43 Cb -0.13 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1tl6 s THR 43 CO 0.18 0.11 0.00 1.41 -0.54 0.00 0.00 174.62 175.79 1tl6 n HIS 44 N 1.03 0.00 -0.25 3.99 8.25 -0.47 -5.00 115.22 122.77 1tl6 n HIS 44 Ca -0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.21 1tl6 n HIS 44 Cb 0.53 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 1tl6 n HIS 44 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1tl6 n GLU 45 N 0.00 0.69 0.00 -0.41 1.02 -1.26 -4.03 120.64 116.65 1tl6 n GLU 45 Ca 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 1tl6 n GLU 45 Cb 0.00 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 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 3.79 2.88 0.00 0.62 0.00 -1.26 -4.99 105.19 106.24 1tl6 n GLY 46 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1tl6 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tl6 n ARG 47 N -0.52 1.76 -1.97 1.61 1.74 -1.26 -5.14 116.66 112.88 1tl6 n ARG 47 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1tl6 n ARG 47 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.52 1tl6 n ARG 47 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1tl6 s LYS 48 N -1.62 2.13 -0.48 5.56 -0.14 -1.26 -1.37 119.74 122.55 1tl6 s LYS 48 Ca 0.00 0.07 -0.23 0.00 -1.36 0.00 0.00 55.97 54.45 1tl6 s LYS 48 Cb 0.00 -2.01 0.03 0.00 -1.68 0.00 0.00 37.83 34.17 1tl6 s LYS 48 CO 0.00 -1.44 0.84 -1.17 -0.76 0.00 0.00 175.35 172.81 1tl6 s LEU 49 N -5.48 4.23 -0.11 3.17 1.98 -1.26 -4.76 118.68 116.45 1tl6 s LEU 49 Ca 0.61 -0.21 -0.02 0.00 -2.89 0.00 0.00 54.13 51.62 1tl6 s LEU 49 Cb -0.11 -2.92 -0.03 0.00 0.66 0.00 0.00 46.19 43.79 1tl6 s LEU 49 CO 0.48 -1.02 -0.03 0.20 -1.89 0.00 0.00 176.35 174.10 1tl6 s ASN 50 N 2.39 4.96 0.21 3.68 0.01 -1.26 -4.86 114.94 120.07 1tl6 s ASN 50 Ca 0.30 0.01 0.25 0.00 -0.71 0.00 0.00 52.86 52.71 1tl6 s ASN 50 Cb -0.12 -1.53 0.88 0.00 0.41 0.00 0.00 41.25 40.89 1tl6 s ASN 50 CO 0.21 0.29 1.76 0.00 -1.51 0.00 0.00 177.10 177.86 1tl6 n GLN 51 N 2.71 0.23 0.16 -0.60 0.00 -1.26 -1.56 117.38 117.06 1tl6 n GLN 51 Ca -0.18 0.27 0.13 0.00 0.00 0.00 0.00 57.00 57.22 1tl6 n GLN 51 Cb 0.53 -1.81 0.44 0.00 0.00 0.00 0.00 30.24 29.40 1tl6 n GLN 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1tl6 h ASN 52 N 0.00 0.00 -0.28 2.61 4.21 -2.02 -2.63 115.58 117.47 1tl6 h ASN 52 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1tl6 h ASN 52 Cb 0.60 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1tl6 h ASN 52 CO 0.00 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.94 1tl6 n SER 53 N -2.53 1.63 0.22 5.81 7.64 -0.60 -3.49 113.62 122.30 1tl6 n SER 53 Ca 0.03 -1.93 0.06 0.00 1.01 0.00 0.00 58.87 58.04 1tl6 n SER 53 Cb 0.36 -0.19 0.51 0.00 -1.01 0.00 0.00 64.21 63.89 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 1.85 0.00 -0.99 1.43 3.57 -1.60 -0.74 116.94 120.45 1tl6 h PHE 54 Ca 0.00 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1tl6 h PHE 54 Cb 0.42 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 38.97 1tl6 h PHE 54 CO 0.19 0.20 0.02 -2.13 -2.23 0.00 0.00 178.31 174.36 1tl6 n ARG 55 N -4.21 -0.08 0.17 1.11 0.63 -1.23 -1.33 116.66 111.72 1tl6 n ARG 55 Ca -0.02 1.48 0.12 0.00 -0.92 0.00 0.00 57.85 58.51 1tl6 n ARG 55 Cb 0.27 -2.36 0.15 0.00 0.45 0.00 0.00 32.46 30.97 1tl6 n ARG 55 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1tl6 h LYS 56 N 0.00 0.00 0.00 -0.14 1.57 -1.41 -2.33 116.57 114.26 1tl6 h LYS 56 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1tl6 h LYS 56 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1tl6 h LYS 56 CO -0.93 0.00 0.00 -0.89 -0.57 0.00 0.00 179.45 177.06 1tl6 n ILE 57 N -2.84 0.00 0.59 1.86 2.08 -0.82 -2.94 119.36 117.29 1tl6 n ILE 57 Ca 0.03 1.02 0.09 0.00 0.56 0.00 0.00 62.75 64.45 1tl6 n ILE 57 Cb 0.52 -1.91 0.38 0.00 -0.75 0.00 0.00 39.64 37.89 1tl6 n ILE 57 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1tl6 n VAL 58 N -1.23 0.79 0.06 1.39 0.24 -0.44 -1.88 118.33 117.24 1tl6 n VAL 58 Ca 0.00 0.19 0.05 0.00 -2.04 0.00 0.00 64.34 62.54 1tl6 n VAL 58 Cb 0.00 -0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 31.41 1tl6 n VAL 58 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1tl6 n SER 59 N -1.56 0.81 0.01 -1.34 7.64 -0.88 -4.26 113.62 114.05 1tl6 n SER 59 Ca 0.04 0.34 0.11 0.00 1.01 0.00 0.00 58.87 60.37 1tl6 n SER 59 Cb 0.21 0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 63.68 1tl6 n SER 59 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tl6 n GLU 60 N -2.78 0.38 -1.95 1.43 1.02 -0.79 -4.83 120.64 113.12 1tl6 n GLU 60 Ca -0.06 -0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.60 1tl6 n GLU 60 Cb 0.72 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 30.56 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 -4.03 4.37 0.00 -4.62 1.43 -0.99 -5.02 118.68 109.83 1tl6 s LEU 61 Ca -0.00 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 1tl6 s LEU 61 Cb 0.14 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1tl6 s LEU 61 CO 0.86 -0.74 0.00 0.35 0.23 0.00 0.00 176.35 177.05 1tl6 n THR 62 N 1.63 0.00 0.06 5.49 -2.24 -1.26 -4.94 114.28 113.02 1tl6 n THR 62 Ca 0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1tl6 n THR 62 Cb 0.40 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.33 0.00 -0.78 4.15 -1.99 -3.34 115.11 112.82 1tl6 h GLN 63 Ca 0.00 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1tl6 h GLN 63 Cb 0.00 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1tl6 h GLN 63 CO 0.00 -0.22 -0.25 0.93 -1.93 0.00 0.00 178.83 177.36 1tl6 h GLU 64 N -0.34 0.00 -0.52 1.69 4.39 -2.00 -0.74 114.58 117.06 1tl6 h GLU 64 Ca 0.06 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1tl6 h GLU 64 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1tl6 h GLU 64 CO -0.18 0.25 0.35 -0.44 -1.16 0.00 0.00 179.01 177.82 1tl6 h ASP 65 N 0.00 0.60 0.62 1.42 5.19 -1.97 -0.97 116.42 121.31 1tl6 h ASP 65 Ca -0.00 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 1tl6 h ASP 65 Cb 0.61 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.98 1tl6 h ASP 65 CO 0.03 0.43 -0.30 0.50 -3.12 0.00 0.00 179.24 176.79 1tl6 h LYS 66 N 0.71 -0.81 -0.62 3.56 3.64 -1.26 -2.59 116.57 119.20 1tl6 h LYS 66 Ca 0.19 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 1tl6 h LYS 66 Cb -0.08 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 31.84 1tl6 h LYS 66 CO -0.04 -0.51 0.21 -0.22 -2.27 0.00 0.00 179.45 176.62 1tl6 h LYS 67 N -0.92 0.36 -0.93 1.90 1.63 -1.36 0.10 116.57 117.35 1tl6 h LYS 67 Ca -0.09 -0.02 0.17 0.00 -0.85 0.00 0.00 60.65 59.86 1tl6 h LYS 67 Cb 0.67 -0.08 -0.17 0.00 -0.60 0.00 0.00 32.23 32.05 1tl6 h LYS 67 CO 0.14 0.24 -0.30 1.15 -3.45 0.00 0.00 179.45 177.23 1tl6 h THR 68 N 0.37 0.05 0.00 1.00 2.02 -1.21 -1.68 112.91 113.46 1tl6 h THR 68 Ca 0.32 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.29 1tl6 h THR 68 Cb 0.43 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1tl6 h THR 68 CO -0.34 0.00 -1.61 -0.11 0.37 0.00 0.00 175.52 173.82 1tl6 n LEU 69 N -5.54 0.72 0.00 2.58 0.00 -0.52 -1.14 117.00 113.11 1tl6 n LEU 69 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 56.01 56.45 1tl6 n LEU 69 Cb 0.44 0.14 0.00 0.00 0.00 0.00 0.00 43.42 43.99 1tl6 n LEU 69 CO -0.10 0.22 0.47 -0.38 0.00 0.00 0.00 177.39 177.61 1tl6 n ILE 70 N -2.87 0.00 -0.06 1.96 5.41 0.25 -2.82 119.36 121.22 1tl6 n ILE 70 Ca -0.13 1.45 -0.08 0.00 1.00 0.00 0.00 62.75 64.98 1tl6 n ILE 70 Cb 0.90 -2.05 -0.06 0.00 -0.71 0.00 0.00 39.64 37.73 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 -1.02 -0.55 4.38 3.58 -1.35 -2.30 116.42 119.16 1tl6 h ASP 71 Ca 0.00 0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 1tl6 h ASP 71 Cb 0.00 0.41 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1tl6 h ASP 71 CO 0.00 -0.24 -0.04 -0.33 -2.88 0.00 0.00 179.24 175.75 1tl6 h GLU 72 N -0.25 1.00 -1.90 0.28 5.08 -1.27 -3.20 114.58 114.32 1tl6 h GLU 72 Ca 0.03 -0.34 -0.66 0.00 -1.00 0.00 0.00 59.36 57.40 1tl6 h GLU 72 Cb 0.34 -0.08 -0.37 0.00 0.50 0.00 0.00 28.75 29.15 1tl6 h GLU 72 CO -0.31 1.02 -0.11 1.19 -1.00 0.00 0.00 179.01 179.80 1tl6 n PHE 73 N -4.21 3.41 -0.13 4.33 3.01 -1.13 -4.77 117.46 117.97 1tl6 n PHE 73 Ca 0.02 -3.10 -0.13 0.00 1.01 0.00 0.00 57.45 55.25 1tl6 n PHE 73 Cb 0.36 -0.55 -0.02 0.00 -0.01 0.00 0.00 39.48 39.26 1tl6 n PHE 73 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1tl6 h ASN 74 N 2.97 1.01 0.25 4.37 -0.73 -1.41 -1.08 115.58 120.96 1tl6 h ASN 74 Ca 0.34 -0.46 -0.03 0.00 1.87 0.00 0.00 56.30 58.03 1tl6 h ASN 74 Cb 0.55 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.86 1tl6 h ASN 74 CO 1.01 1.25 -0.15 -0.33 -0.37 0.00 0.00 177.43 178.83 1tl6 h GLU 75 N 0.77 0.00 -0.23 6.67 5.08 -1.87 -1.81 114.58 123.20 1tl6 h GLU 75 Ca 0.07 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1tl6 h GLU 75 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1tl6 h GLU 75 CO 0.09 0.15 -0.57 0.78 -1.00 0.00 0.00 179.01 178.47 1tl6 h GLY 76 N 0.66 0.78 1.00 -3.84 0.00 -1.80 -3.10 103.07 96.77 1tl6 h GLY 76 Ca -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.39 1tl6 h GLY 76 CO 0.02 0.83 0.40 -2.75 0.00 0.00 0.00 176.54 175.04 1tl6 h PHE 77 N 0.54 0.92 0.74 5.60 3.57 -0.39 -2.23 116.94 125.69 1tl6 h PHE 77 Ca 0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1tl6 h PHE 77 Cb 1.15 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1tl6 h PHE 77 CO 0.06 0.63 -0.49 0.93 -2.23 0.00 0.00 178.31 177.22 1tl6 h GLU 78 N 0.93 -1.12 -0.52 1.11 4.39 -1.47 0.96 114.58 118.86 1tl6 h GLU 78 Ca 0.24 0.08 0.14 0.00 0.34 0.00 0.00 59.36 60.16 1tl6 h GLU 78 Cb -0.00 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1tl6 h GLU 78 CO -0.04 -0.75 0.37 0.78 -1.16 0.00 0.00 179.01 178.21 1tl6 h GLY 79 N -1.16 0.11 1.13 -3.84 0.00 -1.51 -1.15 103.07 96.65 1tl6 h GLY 79 Ca -0.10 -0.03 -0.30 0.00 0.00 0.00 0.00 47.33 46.91 1tl6 h GLY 79 CO 0.08 0.01 -1.61 -0.24 0.00 0.00 0.00 176.54 174.78 1tl6 h VAL 80 N 0.07 1.01 -0.19 4.60 3.04 -1.31 -3.06 116.25 120.42 1tl6 h VAL 80 Ca 0.25 -2.77 0.02 0.00 -1.01 0.00 0.00 66.70 63.19 1tl6 h VAL 80 Cb 0.89 2.59 -0.02 0.00 -2.01 0.00 0.00 31.29 32.73 1tl6 h VAL 80 CO -0.02 0.71 0.05 0.22 -1.01 0.00 0.00 177.57 177.52 1tl6 h TYR 81 N 0.03 0.10 -0.85 3.17 3.20 -0.13 0.31 116.97 122.79 1tl6 h TYR 81 Ca -0.26 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 1tl6 h TYR 81 Cb 1.99 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 40.20 1tl6 h TYR 81 CO 0.03 0.04 0.51 0.00 -1.64 0.00 0.00 178.16 177.10 1tl6 h ARG 82 N 0.14 1.16 -0.66 1.82 3.08 -1.35 -1.97 114.38 116.59 1tl6 h ARG 82 Ca 0.08 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1tl6 h ARG 82 Cb 0.06 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1tl6 h ARG 82 CO -0.09 0.82 0.14 -0.92 -1.07 0.00 0.00 179.97 178.84 1tl6 h TYR 83 N 1.17 1.14 0.00 3.04 5.03 -1.40 -3.13 116.97 122.81 1tl6 h TYR 83 Ca 0.30 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 1tl6 h TYR 83 Cb -0.04 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 37.93 1tl6 h TYR 83 CO -0.00 0.94 -0.03 1.25 -1.32 0.00 0.00 178.16 179.00 1tl6 h LEU 84 N 1.00 0.00 -0.31 2.82 5.85 0.38 0.89 115.31 125.94 1tl6 h LEU 84 Ca 0.20 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.73 1tl6 h LEU 84 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1tl6 h LEU 84 CO 0.01 0.03 -0.61 -0.33 -0.34 0.00 0.00 178.44 177.20 1tl6 h GLU 85 N 0.00 0.79 0.18 1.25 5.08 -1.42 -3.39 114.58 117.07 1tl6 h GLU 85 Ca -0.00 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1tl6 h GLU 85 Cb 0.09 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1tl6 h GLU 85 CO 0.00 1.16 -0.11 0.52 -1.00 0.00 0.00 179.01 179.58 1tl6 h MET 86 N 0.59 -0.27 0.00 2.33 2.86 -0.83 -3.44 114.93 116.16 1tl6 h MET 86 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1tl6 h MET 86 Cb 1.21 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1tl6 h MET 86 CO 0.13 -0.18 0.00 2.48 1.06 0.00 0.00 176.91 180.40 1tl6 n TYR 87 N -2.92 0.00 -3.52 -0.22 4.11 -0.93 -5.06 117.16 108.63 1tl6 n TYR 87 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.79 1tl6 n TYR 87 Cb 0.12 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.34 39.25 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1tl6 s THR 88 N -0.43 0.00 -0.60 -3.48 -1.32 -1.26 -5.11 115.64 103.44 1tl6 s THR 88 Ca 0.00 -0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.30 1tl6 s THR 88 Cb 0.00 -1.06 0.15 0.00 -1.51 0.00 0.00 72.50 70.07 1tl6 s THR 88 CO 0.00 0.00 0.53 0.21 -2.21 0.00 0.00 174.62 173.15 1tl6 s ASN 89 N -2.51 6.21 0.00 8.08 3.84 -1.26 -4.96 114.94 124.34 1tl6 s ASN 89 Ca 0.06 -2.04 0.10 0.00 0.21 0.00 0.00 52.86 51.18 1tl6 s ASN 89 Cb -0.01 -2.17 0.59 0.00 -0.55 0.00 0.00 41.25 39.11 1tl6 s ASN 89 CO -0.08 -0.75 1.03 1.17 -2.79 0.00 0.00 177.10 175.67