#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 2.48 0.27 3.52 -0.14 -1.26 -4.96 119.74 119.66 1tl6 s LYS 3 Ca 0.00 -2.54 -0.03 0.00 -1.36 0.00 0.00 55.97 52.04 1tl6 s LYS 3 Cb 0.00 -3.68 0.38 0.00 -1.68 0.00 0.00 37.83 32.86 1tl6 s LYS 3 CO 0.00 -1.16 1.92 -0.91 -0.76 0.00 0.00 175.35 174.44 1tl6 h ASN 4 N 6.97 1.04 -0.96 2.83 4.21 -1.96 -0.47 115.58 127.24 1tl6 h ASN 4 Ca -0.02 -0.01 0.20 0.00 1.21 0.00 0.00 56.30 57.67 1tl6 h ASN 4 Cb 0.94 -0.24 -0.18 0.00 -1.12 0.00 0.00 38.32 37.72 1tl6 h ASN 4 CO 0.71 0.72 -0.22 0.40 -1.29 0.00 0.00 177.43 177.75 1tl6 h ILE 5 N 1.21 0.05 0.03 2.81 2.04 -1.93 -2.48 117.51 119.23 1tl6 h ILE 5 Ca 0.37 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.23 1tl6 h ILE 5 Cb -0.01 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1tl6 h ILE 5 CO -0.11 0.00 -0.01 -0.78 0.00 0.00 0.00 178.15 177.25 1tl6 h ASP 6 N 0.00 -0.03 -0.12 1.72 3.58 -1.50 -1.13 116.42 118.94 1tl6 h ASP 6 Ca 0.47 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1tl6 h ASP 6 Cb 0.73 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1tl6 h ASP 6 CO -0.98 0.19 0.06 0.74 -2.88 0.00 0.00 179.24 176.36 1tl6 h THR 7 N -0.25 1.13 0.03 2.25 2.02 -1.40 -2.93 112.91 113.76 1tl6 h THR 7 Ca -0.00 -0.38 -0.16 0.00 0.77 0.00 0.00 66.41 66.64 1tl6 h THR 7 Cb 0.23 1.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1tl6 h THR 7 CO 0.01 0.12 -0.64 0.58 0.37 0.00 0.00 175.52 175.96 1tl6 h VAL 8 N 0.06 1.45 -0.29 3.16 2.07 -1.44 -2.91 116.25 118.36 1tl6 h VAL 8 Ca 0.04 -2.18 0.08 0.00 0.82 0.00 0.00 66.70 65.47 1tl6 h VAL 8 Cb 0.14 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1tl6 h VAL 8 CO -0.00 0.63 0.27 0.08 0.02 0.00 0.00 177.57 178.57 1tl6 h ARG 9 N -0.18 0.00 -0.02 1.57 0.11 -1.28 0.09 114.38 114.67 1tl6 h ARG 9 Ca -0.09 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.94 1tl6 h ARG 9 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 1tl6 h ARG 9 CO 0.12 0.00 -0.17 1.49 0.10 0.00 0.00 179.97 181.51 1tl6 h GLU 10 N 0.00 0.16 -0.73 0.08 4.81 -1.41 -2.27 114.58 115.22 1tl6 h GLU 10 Ca 0.14 -0.14 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1tl6 h GLU 10 Cb 0.68 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.98 1tl6 h GLU 10 CO -0.00 0.82 -0.52 0.82 -0.73 0.00 0.00 179.01 179.40 1tl6 h ILE 11 N -0.46 0.02 0.67 2.32 2.04 -1.20 -1.16 117.51 119.73 1tl6 h ILE 11 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1tl6 h ILE 11 Cb 0.87 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1tl6 h ILE 11 CO 0.04 0.00 -0.36 0.40 0.00 0.00 0.00 178.15 178.22 1tl6 h ILE 12 N -0.17 0.00 -0.99 -0.67 2.04 -1.06 -2.78 117.51 113.88 1tl6 h ILE 12 Ca 0.16 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.16 1tl6 h ILE 12 Cb 0.52 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.45 1tl6 h ILE 12 CO -0.79 0.00 -0.42 0.74 0.00 0.00 0.00 178.15 177.68 1tl6 h THR 13 N -0.95 0.00 -0.03 -0.27 2.02 -1.42 -0.22 112.91 112.04 1tl6 h THR 13 Ca -0.09 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.83 1tl6 h THR 13 Cb 0.74 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1tl6 h THR 13 CO 0.12 0.00 -0.99 0.58 0.37 0.00 0.00 175.52 175.61 1tl6 h VAL 14 N -0.00 1.28 -0.47 3.16 2.07 -1.24 -1.94 116.25 119.11 1tl6 h VAL 14 Ca 0.31 -2.18 0.08 0.00 0.82 0.00 0.00 66.70 65.73 1tl6 h VAL 14 Cb 0.56 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 1tl6 h VAL 14 CO -0.98 0.68 0.09 0.00 0.02 0.00 0.00 177.57 177.38 1tl6 h ALA 15 N 0.43 0.52 -0.79 1.67 0.00 -1.33 -1.52 119.26 118.25 1tl6 h ALA 15 Ca -0.11 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1tl6 h ALA 15 Cb 1.64 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1tl6 h ALA 15 CO 0.20 -0.31 0.48 1.03 0.00 0.00 0.00 179.25 180.65 1tl6 h SER 16 N 0.23 0.76 -0.63 0.00 0.87 -0.78 0.33 113.55 114.32 1tl6 h SER 16 Ca 0.23 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1tl6 h SER 16 Cb 0.30 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1tl6 h SER 16 CO -0.31 0.50 0.25 0.40 -0.53 0.00 0.00 176.83 177.14 1tl6 h ILE 17 N 0.90 1.24 0.00 2.23 2.04 -0.87 -2.17 117.51 120.87 1tl6 h ILE 17 Ca 0.34 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1tl6 h ILE 17 Cb 0.14 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1tl6 h ILE 17 CO -0.16 0.29 0.00 -0.11 0.00 0.00 0.00 178.15 178.17 1tl6 n LEU 18 N -4.43 0.00 0.05 1.44 -0.00 -0.61 -4.44 117.00 109.01 1tl6 n LEU 18 Ca 0.04 0.85 -0.05 0.00 -0.00 0.00 0.00 56.01 56.85 1tl6 n LEU 18 Cb 0.17 -0.35 0.16 0.00 -0.00 0.00 0.00 43.42 43.41 1tl6 n LEU 18 CO 0.39 -0.35 0.61 0.16 -0.00 0.00 0.00 177.39 178.20 1tl6 h ILE 19 N 0.00 1.31 -0.02 1.96 3.07 -0.09 -3.37 117.51 120.37 1tl6 h ILE 19 Ca 0.00 -1.58 -0.05 0.00 1.55 0.00 0.00 64.86 64.78 1tl6 h ILE 19 Cb 0.00 1.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.20 1tl6 h ILE 19 CO 0.00 0.48 -0.21 0.50 -1.05 0.00 0.00 178.15 177.88 1tl6 h LYS 20 N 0.32 0.03 -0.30 0.16 1.63 -1.61 -0.92 116.57 115.88 1tl6 h LYS 20 Ca 0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1tl6 h LYS 20 Cb 0.88 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 1tl6 h LYS 20 CO 0.07 0.24 0.00 0.34 -3.45 0.00 0.00 179.45 176.65 1tl6 n PHE 21 N -4.28 0.73 0.00 1.91 7.35 -1.26 -4.91 117.46 117.00 1tl6 n PHE 21 Ca -0.02 -0.71 0.00 0.00 -0.76 0.00 0.00 57.45 55.96 1tl6 n PHE 21 Cb 0.27 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 39.91 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1tl6 n SER 22 N -0.07 0.00 -3.15 -2.13 7.64 -0.40 -5.14 113.62 110.37 1tl6 n SER 22 Ca 0.17 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.11 1tl6 n SER 22 Cb 0.69 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.88 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1tl6 s ARG 23 N 0.00 0.10 0.19 1.43 6.06 -0.89 -5.03 118.95 120.80 1tl6 s ARG 23 Ca 0.00 0.13 0.14 0.00 -2.50 0.00 0.00 55.73 53.51 1tl6 s ARG 23 Cb 0.00 0.07 0.62 0.00 0.06 0.00 0.00 34.95 35.70 1tl6 s ARG 23 CO 0.00 -0.15 0.63 0.39 -2.50 0.00 0.00 175.30 173.67 1tl6 n GLU 24 N 5.27 -0.01 -0.37 5.12 4.71 -1.26 -3.93 120.64 130.16 1tl6 n GLU 24 Ca 0.01 0.49 0.30 0.00 -0.01 0.00 0.00 57.16 57.96 1tl6 n GLU 24 Cb 0.56 -1.00 0.56 0.00 -1.01 0.00 0.00 31.44 30.56 1tl6 n GLU 24 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1tl6 h ASP 25 N 0.00 0.37 0.18 1.62 3.32 -1.96 0.30 116.42 120.25 1tl6 h ASP 25 Ca 0.36 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 1tl6 h ASP 25 Cb 1.21 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1tl6 h ASP 25 CO -0.16 -0.19 -0.09 0.16 -1.72 0.00 0.00 179.24 177.25 1tl6 h ILE 26 N 0.18 0.92 0.00 0.35 -2.65 -1.91 -3.35 117.51 111.06 1tl6 h ILE 26 Ca 0.78 -0.83 -0.02 0.00 1.03 0.00 0.00 64.86 65.82 1tl6 h ILE 26 Cb 2.10 1.39 -0.00 0.00 -2.05 0.00 0.00 36.82 38.26 1tl6 h ILE 26 CO -0.54 0.18 -0.12 1.62 0.03 0.00 0.00 178.15 179.32 1tl6 h VAL 27 N -0.67 0.30 0.00 0.16 3.04 -1.25 -2.71 116.25 115.12 1tl6 h VAL 27 Ca -0.03 -0.80 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1tl6 h VAL 27 Cb 0.48 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1tl6 h VAL 27 CO 0.04 0.11 0.00 -1.84 -1.01 0.00 0.00 177.57 174.87 1tl6 n GLU 28 N -3.27 0.24 -4.06 4.17 -0.00 0.85 -4.36 120.64 114.20 1tl6 n GLU 28 Ca 0.00 0.09 -0.13 0.00 -0.00 0.00 0.00 57.16 57.13 1tl6 n GLU 28 Cb 0.36 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 30.19 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 -2.67 0.84 -0.05 -1.84 3.84 -1.26 -4.82 114.94 108.99 1tl6 s ASN 29 Ca 0.18 -0.57 0.07 0.00 0.21 0.00 0.00 52.86 52.76 1tl6 s ASN 29 Cb 0.15 0.04 -0.24 0.00 -0.55 0.00 0.00 41.25 40.65 1tl6 s ASN 29 CO 0.35 -0.22 0.64 0.08 -2.79 0.00 0.00 177.10 175.16 1tl6 h ARG 30 N 4.43 0.07 -0.81 0.43 0.11 -1.83 -3.36 114.38 113.42 1tl6 h ARG 30 Ca -0.36 -0.12 0.12 0.00 0.10 0.00 0.00 59.98 59.71 1tl6 h ARG 30 Cb 1.20 0.05 -0.12 0.00 1.11 0.00 0.00 29.97 32.20 1tl6 h ARG 30 CO 0.42 0.71 -0.34 0.00 0.10 0.00 0.00 179.97 180.85 1tl6 n ALA 31 N -2.64 -0.17 -0.00 0.08 0.00 -1.26 -2.35 120.51 114.16 1tl6 n ALA 31 Ca -0.19 0.79 -0.12 0.00 0.00 0.00 0.00 53.44 53.91 1tl6 n ALA 31 Cb 1.05 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 20.09 1tl6 n ALA 31 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1tl6 h ASN 32 N 0.00 0.04 -0.82 0.00 2.35 -1.78 -3.07 115.58 112.31 1tl6 h ASN 32 Ca 0.26 -0.31 0.20 0.00 -0.55 0.00 0.00 56.30 55.89 1tl6 h ASN 32 Cb 0.46 -0.01 -0.14 0.00 0.05 0.00 0.00 38.32 38.67 1tl6 h ASN 32 CO -0.80 0.35 0.04 0.15 -1.65 0.00 0.00 177.43 175.52 1tl6 h PHE 33 N -0.26 0.01 0.41 1.19 3.57 -1.12 -1.48 116.94 119.26 1tl6 h PHE 33 Ca 0.01 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1tl6 h PHE 33 Cb 0.32 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1tl6 h PHE 33 CO 0.03 -0.27 -0.19 0.82 -2.23 0.00 0.00 178.31 176.47 1tl6 h ILE 34 N 0.11 0.58 -0.67 1.41 5.03 -1.39 -2.81 117.51 119.76 1tl6 h ILE 34 Ca 0.47 -0.36 0.14 0.00 -0.12 0.00 0.00 64.86 64.98 1tl6 h ILE 34 Cb 0.86 0.75 -0.13 0.00 -3.03 0.00 0.00 36.82 35.28 1tl6 h ILE 34 CO -0.71 0.07 -0.14 0.00 -0.68 0.00 0.00 178.15 176.69 1tl6 h ALA 35 N -0.27 0.49 -0.73 1.87 0.00 -1.43 0.76 119.26 119.95 1tl6 h ALA 35 Ca -0.06 0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1tl6 h ALA 35 Cb 0.52 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 1tl6 h ALA 35 CO 0.09 -0.42 0.19 0.35 0.00 0.00 0.00 179.25 179.46 1tl6 h PHE 36 N 0.02 0.30 -0.29 0.00 3.57 -1.02 -0.36 116.94 119.15 1tl6 h PHE 36 Ca 0.33 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 1tl6 h PHE 36 Cb 0.51 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1tl6 h PHE 36 CO -0.51 -0.06 0.17 -0.07 -2.23 0.00 0.00 178.31 175.61 1tl6 h LEU 37 N 0.29 0.36 -1.02 0.59 3.38 -1.28 -2.64 115.31 114.99 1tl6 h LEU 37 Ca 0.41 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.37 1tl6 h LEU 37 Cb 0.68 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 1tl6 h LEU 37 CO -0.49 0.32 0.65 0.78 0.09 0.00 0.00 178.44 179.79 1tl6 h ASN 38 N 0.37 1.04 -0.42 -0.43 -0.26 0.64 0.19 115.58 116.71 1tl6 h ASN 38 Ca 0.10 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.81 1tl6 h ASN 38 Cb 0.03 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.06 1tl6 h ASN 38 CO -0.02 0.67 0.12 -0.08 -1.06 0.00 0.00 177.43 177.06 1tl6 h GLU 39 N 1.18 0.66 -0.62 0.81 4.81 -1.10 -2.75 114.58 117.56 1tl6 h GLU 39 Ca 0.43 -0.15 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 1tl6 h GLU 39 Cb 0.15 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1tl6 h GLU 39 CO -0.17 0.66 0.41 0.82 -0.73 0.00 0.00 179.01 180.01 1tl6 h ILE 40 N 0.53 0.97 0.00 2.32 2.04 -1.02 -3.46 117.51 118.90 1tl6 h ILE 40 Ca 0.13 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1tl6 h ILE 40 Cb 0.29 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1tl6 h ILE 40 CO -0.00 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.86 1tl6 n GLY 41 N -1.48 1.93 3.58 5.37 0.00 -0.91 -5.09 105.19 108.58 1tl6 n GLY 41 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.81 0.16 1.61 1.01 -0.00 -4.96 120.40 120.04 1tl6 s VAL 42 Ca 0.00 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1tl6 s VAL 42 Cb 0.00 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.96 1tl6 s VAL 42 CO 0.00 -1.14 0.11 0.35 0.00 0.00 0.00 175.10 174.43 1tl6 n THR 43 N 6.87 0.00 -3.27 3.92 -2.24 -1.26 -3.82 114.28 114.48 1tl6 n THR 43 Ca 0.13 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1tl6 n THR 43 Cb 0.49 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1tl6 n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tl6 n HIS 44 N -0.85 -0.27 -1.51 4.78 1.44 -1.16 -4.70 115.22 112.94 1tl6 n HIS 44 Ca -0.01 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.47 1tl6 n HIS 44 Cb 0.19 0.00 -0.18 0.00 0.12 0.00 0.00 29.99 30.12 1tl6 n HIS 44 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1tl6 n GLU 45 N 0.00 0.15 -0.51 -1.40 4.07 -1.26 -2.69 120.64 118.99 1tl6 n GLU 45 Ca 0.00 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1tl6 n GLU 45 Cb 0.00 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.69 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tl6 n GLY 46 N 5.90 1.82 0.24 8.31 0.00 -1.26 -4.93 105.19 115.27 1tl6 n GLY 46 Ca 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.63 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 -2.00 0.61 -0.23 1.61 5.12 -1.10 -5.16 116.66 115.50 1tl6 n ARG 47 Ca 0.00 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 1tl6 n ARG 47 Cb 0.00 0.16 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 1tl6 n ARG 47 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1tl6 n LYS 48 N -0.06 1.19 -3.53 5.56 4.01 -1.26 -3.00 118.16 121.07 1tl6 n LYS 48 Ca -0.00 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.41 1tl6 n LYS 48 Cb 0.04 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.46 1tl6 n LYS 48 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1tl6 s LEU 49 N 0.00 4.11 0.01 -0.35 1.98 -1.25 -3.85 118.68 119.33 1tl6 s LEU 49 Ca 0.00 -0.01 0.02 0.00 -2.89 0.00 0.00 54.13 51.26 1tl6 s LEU 49 Cb 0.00 -2.20 -0.04 0.00 0.66 0.00 0.00 46.19 44.61 1tl6 s LEU 49 CO 0.00 -0.12 -0.01 0.21 -1.89 0.00 0.00 176.35 174.54 1tl6 s ASN 50 N 1.73 5.01 0.25 3.68 3.84 -1.26 -4.88 114.94 123.30 1tl6 s ASN 50 Ca 0.09 -0.06 -0.02 0.00 0.21 0.00 0.00 52.86 53.08 1tl6 s ASN 50 Cb -0.16 -1.27 0.30 0.00 -0.55 0.00 0.00 41.25 39.58 1tl6 s ASN 50 CO 0.11 0.27 1.71 0.06 -2.79 0.00 0.00 177.10 176.46 1tl6 h GLN 51 N 4.26 0.73 0.00 0.43 3.07 -1.98 -2.58 115.11 119.04 1tl6 h GLN 51 Ca -0.49 -0.24 -0.00 0.00 0.09 0.00 0.00 58.65 58.01 1tl6 h GLN 51 Cb 1.17 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.67 1tl6 h GLN 51 CO 0.57 0.82 -0.01 -0.97 0.09 0.00 0.00 178.83 179.33 1tl6 h ASN 52 N 0.66 0.00 0.00 0.06 -1.24 -2.04 -2.96 115.58 110.06 1tl6 h ASN 52 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1tl6 h ASN 52 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 1tl6 h ASN 52 CO 0.04 0.01 0.00 -1.20 -1.29 0.00 0.00 177.43 174.98 1tl6 n SER 53 N -3.53 0.69 0.20 1.15 7.64 -0.97 -4.00 113.62 114.80 1tl6 n SER 53 Ca -0.03 -1.06 0.12 0.00 1.01 0.00 0.00 58.87 58.92 1tl6 n SER 53 Cb 0.09 -0.26 0.24 0.00 -1.01 0.00 0.00 64.21 63.26 1tl6 n SER 53 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1tl6 h PHE 54 N 0.55 0.00 -0.38 1.43 -0.00 -1.74 -3.16 116.94 113.64 1tl6 h PHE 54 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 57.82 1tl6 h PHE 54 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.25 1tl6 h PHE 54 CO 0.00 0.00 -0.37 -0.09 -0.00 0.00 0.00 178.31 177.85 1tl6 h ARG 55 N 0.00 0.89 -0.02 6.09 1.12 -1.89 -0.14 114.38 120.43 1tl6 h ARG 55 Ca 0.00 -0.46 0.01 0.00 -1.11 0.00 0.00 59.98 58.42 1tl6 h ARG 55 Cb 0.92 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 1tl6 h ARG 55 CO 0.00 1.11 -0.03 0.87 -3.11 0.00 0.00 179.97 178.80 1tl6 h LYS 56 N 0.73 -0.05 -0.05 0.20 6.56 -1.89 -2.81 116.57 119.26 1tl6 h LYS 56 Ca 0.06 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.69 1tl6 h LYS 56 Cb 0.95 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.57 1tl6 h LYS 56 CO 0.09 -0.04 -0.37 0.82 -2.06 0.00 0.00 179.45 177.89 1tl6 h ILE 57 N -0.05 0.22 0.16 1.86 1.08 -1.39 -3.36 117.51 116.02 1tl6 h ILE 57 Ca 0.02 0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.16 1tl6 h ILE 57 Cb 0.08 0.22 0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1tl6 h ILE 57 CO -0.05 0.00 -1.61 -0.37 -0.69 0.00 0.00 178.15 175.43 1tl6 h VAL 58 N -0.50 1.08 0.00 1.67 -1.51 -1.02 -3.31 116.25 112.66 1tl6 h VAL 58 Ca 0.07 -2.68 -0.03 0.00 -1.23 0.00 0.00 66.70 62.83 1tl6 h VAL 58 Cb 0.60 2.79 -0.00 0.00 -2.13 0.00 0.00 31.29 32.56 1tl6 h VAL 58 CO -0.33 0.83 -0.13 0.28 -1.23 0.00 0.00 177.57 176.99 1tl6 h SER 59 N 0.09 0.00 -0.36 4.19 0.02 -1.64 -1.50 113.55 114.35 1tl6 h SER 59 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1tl6 h SER 59 Cb 2.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.61 1tl6 h SER 59 CO 0.18 0.13 0.00 -0.62 -1.14 0.00 0.00 176.83 175.39 1tl6 n GLU 60 N -3.25 2.38 -3.16 3.45 1.02 -1.26 -4.79 120.64 115.02 1tl6 n GLU 60 Ca 0.01 -2.04 -0.43 0.00 -0.02 0.00 0.00 57.16 54.68 1tl6 n GLU 60 Cb 0.41 -1.35 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.08 4.75 0.00 -4.62 1.43 -0.57 -4.85 118.68 113.74 1tl6 s LEU 61 Ca 0.28 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1tl6 s LEU 61 Cb 0.16 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1tl6 s LEU 61 CO 0.21 -0.79 0.00 0.35 0.23 0.00 0.00 176.35 176.35 1tl6 n THR 62 N 5.69 0.00 -0.16 5.49 -2.24 -1.26 -4.97 114.28 116.83 1tl6 n THR 62 Ca -0.05 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1tl6 n THR 62 Cb 0.47 -0.77 0.10 0.00 -2.10 0.00 0.00 70.33 68.02 1tl6 n THR 62 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1tl6 h GLN 63 N 0.00 0.93 -0.64 -0.78 4.20 -2.00 -3.00 115.11 113.81 1tl6 h GLN 63 Ca 0.00 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 1tl6 h GLN 63 Cb 0.00 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1tl6 h GLN 63 CO 0.00 0.92 0.28 0.93 -0.67 0.00 0.00 178.83 180.29 1tl6 h GLU 64 N 0.85 0.94 0.00 1.46 3.07 -2.00 -2.69 114.58 116.21 1tl6 h GLU 64 Ca 0.16 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1tl6 h GLU 64 Cb 0.51 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1tl6 h GLU 64 CO 0.03 0.77 0.00 -3.47 -1.40 0.00 0.00 179.01 174.94 1tl6 n ASP 65 N -4.46 0.00 -0.39 1.42 2.03 -1.24 -3.11 116.55 110.82 1tl6 n ASP 65 Ca 0.04 0.91 -0.03 0.00 0.52 0.00 0.00 54.79 56.24 1tl6 n ASP 65 Cb 0.15 -0.41 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 1tl6 n ASP 65 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1tl6 n LYS 66 N -2.23 -0.27 0.37 -0.67 4.81 -1.03 -0.04 118.16 119.10 1tl6 n LYS 66 Ca 0.00 1.51 -0.18 0.00 -0.87 0.00 0.00 58.31 58.77 1tl6 n LYS 66 Cb 0.00 -2.23 -0.09 0.00 0.02 0.00 0.00 35.03 32.73 1tl6 n LYS 66 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1tl6 h LYS 67 N 0.00 -0.89 -0.19 1.64 3.11 -1.67 -3.09 116.57 115.48 1tl6 h LYS 67 Ca 0.30 0.06 0.05 0.00 -2.81 0.00 0.00 60.65 58.25 1tl6 h LYS 67 Cb 0.55 0.20 -0.07 0.00 -1.00 0.00 0.00 32.23 31.91 1tl6 h LYS 67 CO -0.97 -0.59 -0.41 1.15 -2.81 0.00 0.00 179.45 175.82 1tl6 h THR 68 N -0.93 0.15 -0.85 1.00 2.02 -1.09 -0.02 112.91 113.20 1tl6 h THR 68 Ca -0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1tl6 h THR 68 Cb 0.72 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1tl6 h THR 68 CO 0.14 0.00 0.56 0.25 0.37 0.00 0.00 175.52 176.84 1tl6 h LEU 69 N -0.45 0.94 -0.26 2.58 5.85 -0.55 -2.51 115.31 120.92 1tl6 h LEU 69 Ca 0.09 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.59 1tl6 h LEU 69 Cb 0.61 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1tl6 h LEU 69 CO -0.43 0.66 -0.83 0.40 -0.34 0.00 0.00 178.44 177.90 1tl6 h ILE 70 N 1.10 1.36 -0.14 4.05 2.04 -1.42 -0.31 117.51 124.20 1tl6 h ILE 70 Ca 0.33 -2.22 -0.19 0.00 1.00 0.00 0.00 64.86 63.78 1tl6 h ILE 70 Cb -0.05 2.20 0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1tl6 h ILE 70 CO -0.09 0.67 -0.64 -0.78 0.00 0.00 0.00 178.15 177.30 1tl6 h ASP 71 N 0.32 0.80 0.13 1.72 3.58 -0.68 -2.88 116.42 119.42 1tl6 h ASP 71 Ca -0.06 -0.63 -0.26 0.00 0.42 0.00 0.00 57.03 56.50 1tl6 h ASP 71 Cb 1.44 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1tl6 h ASP 71 CO 0.15 1.30 -1.30 -0.33 -2.88 0.00 0.00 179.24 176.19 1tl6 h GLU 72 N 0.36 0.27 -0.89 0.28 5.08 -1.53 -3.40 114.58 114.76 1tl6 h GLU 72 Ca -0.04 -0.47 -0.59 0.00 -1.00 0.00 0.00 59.36 57.26 1tl6 h GLU 72 Cb 1.28 0.17 -0.39 0.00 0.50 0.00 0.00 28.75 30.32 1tl6 h GLU 72 CO 0.13 1.22 -0.32 1.19 -1.00 0.00 0.00 179.01 180.24 1tl6 n PHE 73 N -3.95 2.92 0.26 4.33 3.72 -0.13 -4.72 117.46 119.90 1tl6 n PHE 73 Ca -0.22 -2.49 0.12 0.00 -0.05 0.00 0.00 57.45 54.81 1tl6 n PHE 73 Cb 0.90 -0.64 0.77 0.00 -0.94 0.00 0.00 39.48 39.56 1tl6 n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1tl6 h ASN 74 N 2.17 0.00 -0.98 4.37 -0.73 -1.65 -2.32 115.58 116.44 1tl6 h ASN 74 Ca 0.43 0.00 0.21 0.00 1.87 0.00 0.00 56.30 58.82 1tl6 h ASN 74 Cb 1.28 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.78 1tl6 h ASN 74 CO 1.00 0.00 0.62 1.05 -0.37 0.00 0.00 177.43 179.74 1tl6 h GLU 75 N 0.00 0.55 0.20 6.67 4.11 -1.88 0.12 114.58 124.36 1tl6 h GLU 75 Ca 0.01 -0.03 -0.32 0.00 0.07 0.00 0.00 59.36 59.09 1tl6 h GLU 75 Cb 0.06 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.21 1tl6 h GLU 75 CO -0.00 0.37 -1.48 0.78 0.07 0.00 0.00 179.01 178.75 1tl6 h GLY 76 N 0.57 0.50 1.01 1.06 0.00 -1.82 -3.16 103.07 101.22 1tl6 h GLY 76 Ca 0.55 -1.27 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 1tl6 h GLY 76 CO -0.30 1.11 0.17 -2.75 0.00 0.00 0.00 176.54 174.77 1tl6 h PHE 77 N 0.02 0.98 -0.07 5.60 3.57 -1.40 -1.99 116.94 123.64 1tl6 h PHE 77 Ca -0.28 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 1tl6 h PHE 77 Cb 2.04 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.49 1tl6 h PHE 77 CO 0.13 0.82 0.02 0.93 -2.23 0.00 0.00 178.31 177.98 1tl6 h GLU 78 N 0.85 0.11 0.26 1.11 4.39 -0.94 -2.60 114.58 117.76 1tl6 h GLU 78 Ca 0.19 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1tl6 h GLU 78 Cb 0.31 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1tl6 h GLU 78 CO -0.00 0.27 -0.12 0.78 -1.16 0.00 0.00 179.01 178.77 1tl6 h GLY 79 N -0.07 -0.36 1.87 -3.84 0.00 -1.50 -2.77 103.07 96.39 1tl6 h GLY 79 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1tl6 h GLY 79 CO -0.00 -0.13 0.06 -0.39 0.00 0.00 0.00 176.54 176.08 1tl6 h VAL 80 N -0.51 0.00 0.01 4.60 -1.51 -1.47 0.00 116.25 117.38 1tl6 h VAL 80 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1tl6 h VAL 80 Cb 0.38 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 1tl6 h VAL 80 CO 0.06 0.00 -0.01 0.22 -1.23 0.00 0.00 177.57 176.61 1tl6 h TYR 81 N 0.00 -0.02 -0.14 5.19 5.03 -1.17 -1.29 116.97 124.57 1tl6 h TYR 81 Ca 0.00 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 1tl6 h TYR 81 Cb 0.13 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 1tl6 h TYR 81 CO 0.00 0.09 -0.09 -0.09 -1.32 0.00 0.00 178.16 176.75 1tl6 h ARG 82 N -0.12 0.31 -0.37 1.82 2.43 -1.17 -3.09 114.38 114.19 1tl6 h ARG 82 Ca -0.00 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 1tl6 h ARG 82 Cb 0.11 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1tl6 h ARG 82 CO 0.00 0.66 -0.20 -0.92 -1.51 0.00 0.00 179.97 178.00 1tl6 h TYR 83 N -0.04 0.79 -0.46 2.20 3.20 -1.11 -2.99 116.97 118.57 1tl6 h TYR 83 Ca 0.03 -0.17 0.08 0.00 3.14 0.00 0.00 58.73 61.81 1tl6 h TYR 83 Cb 0.58 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 1tl6 h TYR 83 CO 0.07 0.85 0.07 1.25 -1.64 0.00 0.00 178.16 178.77 1tl6 h LEU 84 N 0.62 -0.04 -1.53 2.82 7.12 -1.26 0.56 115.31 123.60 1tl6 h LEU 84 Ca 0.09 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1tl6 h LEU 84 Cb 0.69 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1tl6 h LEU 84 CO 0.05 0.01 0.00 -0.08 -0.13 0.00 0.00 178.44 178.29 1tl6 h GLU 85 N 0.20 0.00 0.00 1.25 4.81 -1.45 -2.92 114.58 116.47 1tl6 h GLU 85 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1tl6 h GLU 85 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1tl6 h GLU 85 CO -0.31 0.00 -0.01 0.52 -0.73 0.00 0.00 179.01 178.47 1tl6 h MET 86 N 0.00 0.00 0.00 1.92 2.86 -0.85 -3.43 114.93 115.43 1tl6 h MET 86 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1tl6 h MET 86 Cb 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1tl6 h MET 86 CO 0.00 0.00 -0.01 0.10 1.06 0.00 0.00 176.91 178.06 1tl6 h TYR 87 N -0.25 0.00 0.00 -0.22 -0.00 -0.89 -3.48 116.97 112.13 1tl6 h TYR 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1tl6 h TYR 87 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.74 1tl6 h TYR 87 CO -0.01 0.01 0.00 -2.37 -0.00 0.00 0.00 178.16 175.79 1tl6 n THR 88 N -3.39 0.00 -3.11 -0.90 5.66 -1.11 -4.70 114.28 106.73 1tl6 n THR 88 Ca -0.03 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.53 1tl6 n THR 88 Cb 0.09 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.82 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 0.00 6.19 0.00 1.09 2.47 -1.26 -4.89 114.94 118.53 1tl6 s ASN 89 Ca 0.00 -1.36 0.26 0.00 0.42 0.00 0.00 52.86 52.17 1tl6 s ASN 89 Cb 0.00 -2.30 1.52 0.00 -1.45 0.00 0.00 41.25 39.02 1tl6 s ASN 89 CO 0.00 -1.10 1.88 2.29 -3.72 0.00 0.00 177.10 176.45