#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 2.96 0.00 3.52 2.47 -1.26 -5.02 119.74 122.41 1tl6 s LYS 3 Ca 0.00 -0.67 0.14 0.00 -1.56 0.00 0.00 55.97 53.88 1tl6 s LYS 3 Cb 0.00 -2.77 0.69 0.00 -1.46 0.00 0.00 37.83 34.29 1tl6 s LYS 3 CO 0.00 0.57 1.41 0.09 0.16 0.00 0.00 175.35 177.57 1tl6 n ASN 4 N 0.37 0.00 0.08 1.43 4.13 -1.26 -1.35 115.26 118.66 1tl6 n ASN 4 Ca -0.08 0.20 -0.10 0.00 1.68 0.00 0.00 54.58 56.28 1tl6 n ASN 4 Cb 0.52 -0.35 -0.06 0.00 -1.54 0.00 0.00 39.78 38.35 1tl6 n ASN 4 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1tl6 h ILE 5 N 0.00 0.00 -0.99 2.41 2.04 -1.95 0.18 117.51 119.20 1tl6 h ILE 5 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1tl6 h ILE 5 Cb 0.17 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.11 1tl6 h ILE 5 CO 0.00 0.00 -0.51 -0.67 0.00 0.00 0.00 178.15 176.97 1tl6 n ASP 6 N -4.23 -0.89 0.13 1.72 -0.08 -0.45 -0.87 116.55 111.87 1tl6 n ASP 6 Ca -0.05 1.74 -0.08 0.00 -1.51 0.00 0.00 54.79 54.89 1tl6 n ASP 6 Cb 0.25 -0.29 -0.04 0.00 2.34 0.00 0.00 41.12 43.37 1tl6 n ASP 6 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1tl6 h THR 7 N 0.00 0.00 -0.44 5.18 2.02 -1.56 -1.78 112.91 116.33 1tl6 h THR 7 Ca 0.23 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.27 1tl6 h THR 7 Cb 0.47 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1tl6 h THR 7 CO -0.95 0.00 -0.27 0.58 0.37 0.00 0.00 175.52 175.26 1tl6 h VAL 8 N -0.44 1.27 -0.66 3.16 2.07 -0.38 -2.27 116.25 119.00 1tl6 h VAL 8 Ca -0.03 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.07 1tl6 h VAL 8 Cb 0.39 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1tl6 h VAL 8 CO -0.03 0.49 0.44 0.08 0.02 0.00 0.00 177.57 178.56 1tl6 h ARG 9 N 0.79 0.86 -0.75 1.57 0.11 -1.08 -0.46 114.38 115.43 1tl6 h ARG 9 Ca 0.09 -0.05 0.10 0.00 0.10 0.00 0.00 59.98 60.22 1tl6 h ARG 9 Cb 0.85 -0.19 -0.07 0.00 1.11 0.00 0.00 29.97 31.66 1tl6 h ARG 9 CO 0.07 0.57 0.38 1.49 0.10 0.00 0.00 179.97 182.59 1tl6 h GLU 10 N 0.89 0.62 -0.09 0.08 4.81 -1.02 0.01 114.58 119.88 1tl6 h GLU 10 Ca 0.25 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1tl6 h GLU 10 Cb -0.09 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1tl6 h GLU 10 CO -0.06 0.41 0.04 0.82 -0.73 0.00 0.00 179.01 179.49 1tl6 h ILE 11 N 0.64 1.13 -0.34 2.32 5.03 -0.85 -1.09 117.51 124.35 1tl6 h ILE 11 Ca 0.37 -0.39 0.07 0.00 -0.12 0.00 0.00 64.86 64.79 1tl6 h ILE 11 Cb 0.39 1.23 -0.08 0.00 -3.03 0.00 0.00 36.82 35.33 1tl6 h ILE 11 CO -0.27 0.12 -0.31 0.40 -0.68 0.00 0.00 178.15 177.41 1tl6 h ILE 12 N -0.00 0.27 0.00 -0.67 2.04 -0.91 0.43 117.51 118.66 1tl6 h ILE 12 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1tl6 h ILE 12 Cb 0.15 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1tl6 h ILE 12 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 178.15 178.56 1tl6 n THR 13 N -5.41 0.00 0.10 -0.27 -1.04 -0.02 -1.50 114.28 106.14 1tl6 n THR 13 Ca 0.00 1.50 0.17 0.00 -2.04 0.00 0.00 64.05 63.68 1tl6 n THR 13 Cb 0.33 -2.28 0.71 0.00 -1.82 0.00 0.00 70.33 67.26 1tl6 n THR 13 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1tl6 h VAL 14 N 0.00 0.74 0.34 12.58 -1.51 -1.13 -0.18 116.25 127.09 1tl6 h VAL 14 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1tl6 h VAL 14 Cb 0.00 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1tl6 h VAL 14 CO 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 177.57 176.18 1tl6 h ALA 15 N 1.80 -0.45 -0.26 5.19 0.00 -0.91 -2.71 119.26 121.92 1tl6 h ALA 15 Ca 0.16 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1tl6 h ALA 15 Cb 0.68 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1tl6 h ALA 15 CO -0.00 -0.63 -0.08 1.03 0.00 0.00 0.00 179.25 179.57 1tl6 h SER 16 N -0.69 -0.28 0.36 0.00 0.87 -0.09 0.29 113.55 114.00 1tl6 h SER 16 Ca -0.05 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1tl6 h SER 16 Cb 0.48 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1tl6 h SER 16 CO 0.08 -0.10 -0.27 0.40 -0.53 0.00 0.00 176.83 176.40 1tl6 h ILE 17 N -0.02 1.06 0.75 2.23 2.04 -1.20 0.69 117.51 123.05 1tl6 h ILE 17 Ca 0.13 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 1tl6 h ILE 17 Cb 0.22 1.55 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1tl6 h ILE 17 CO -0.28 0.27 -0.36 0.25 0.00 0.00 0.00 178.15 178.03 1tl6 h LEU 18 N 0.00 -0.85 -0.22 1.44 7.12 -1.11 -3.40 115.31 118.28 1tl6 h LEU 18 Ca -0.00 0.03 -0.20 0.00 0.13 0.00 0.00 57.88 57.83 1tl6 h LEU 18 Cb 0.53 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 1tl6 h LEU 18 CO 0.04 -0.48 -0.92 0.16 -0.13 0.00 0.00 178.44 177.11 1tl6 h ILE 19 N -1.26 1.53 -0.25 4.05 3.07 -0.40 -3.38 117.51 120.87 1tl6 h ILE 19 Ca -0.10 -2.77 0.03 0.00 1.55 0.00 0.00 64.86 63.56 1tl6 h ILE 19 Cb 0.78 2.56 -0.04 0.00 -0.27 0.00 0.00 36.82 39.84 1tl6 h ILE 19 CO 0.17 0.80 -0.26 0.50 -1.05 0.00 0.00 178.15 178.31 1tl6 h LYS 20 N 0.08 -0.14 -2.54 0.16 3.64 -1.09 -3.19 116.57 113.48 1tl6 h LYS 20 Ca -0.04 0.01 -0.64 0.00 -1.27 0.00 0.00 60.65 58.71 1tl6 h LYS 20 Cb 1.57 0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 33.02 1tl6 h LYS 20 CO 0.14 -0.09 -0.39 0.34 -2.27 0.00 0.00 179.45 177.17 1tl6 n PHE 21 N -3.97 3.49 0.00 1.91 7.35 -1.26 -4.93 117.46 120.04 1tl6 n PHE 21 Ca -0.01 -4.01 0.00 0.00 -0.76 0.00 0.00 57.45 52.67 1tl6 n PHE 21 Cb 0.15 -0.70 0.00 0.00 0.35 0.00 0.00 39.48 39.28 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1tl6 n SER 22 N 1.23 0.00 -4.19 -2.13 2.88 -1.21 -5.08 113.62 105.12 1tl6 n SER 22 Ca 0.27 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.50 1tl6 n SER 22 Cb 0.39 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.85 2.75 0.10 -1.46 1.81 -1.26 -4.97 118.95 116.78 1tl6 s ARG 23 Ca 0.00 -0.80 0.24 0.00 -1.72 0.00 0.00 55.73 53.45 1tl6 s ARG 23 Cb 0.00 -2.12 0.24 0.00 -0.45 0.00 0.00 34.95 32.62 1tl6 s ARG 23 CO 0.00 0.17 1.22 0.39 -0.68 0.00 0.00 175.30 176.40 1tl6 n GLU 24 N 3.51 0.30 0.25 3.54 4.71 -1.26 -4.43 120.64 127.25 1tl6 n GLU 24 Ca -0.19 0.06 0.10 0.00 -0.01 0.00 0.00 57.16 57.12 1tl6 n GLU 24 Cb 0.53 -1.66 0.63 0.00 -1.01 0.00 0.00 31.44 29.93 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 0.00 0.01 1.62 3.32 -1.97 0.03 116.42 119.42 1tl6 h ASP 25 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1tl6 h ASP 25 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1tl6 h ASP 25 CO 0.00 0.17 -0.07 0.40 -1.72 0.00 0.00 179.24 178.01 1tl6 h ILE 26 N 0.00 1.75 -0.35 0.35 2.04 -1.87 -1.13 117.51 118.29 1tl6 h ILE 26 Ca -0.00 -2.28 -0.02 0.00 1.00 0.00 0.00 64.86 63.56 1tl6 h ILE 26 Cb 0.40 3.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.76 1tl6 h ILE 26 CO 0.02 0.60 0.14 -0.37 0.00 0.00 0.00 178.15 178.54 1tl6 h VAL 27 N -0.90 1.14 -0.11 1.67 -1.51 -1.78 -2.44 116.25 112.32 1tl6 h VAL 27 Ca -0.01 -0.43 0.01 0.00 -1.23 0.00 0.00 66.70 65.04 1tl6 h VAL 27 Cb 1.02 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1tl6 h VAL 27 CO 0.01 0.16 0.02 -0.33 -1.23 0.00 0.00 177.57 176.21 1tl6 h GLU 28 N 0.49 0.07 -3.87 5.19 5.08 -1.02 -3.30 114.58 117.23 1tl6 h GLU 28 Ca 0.12 -0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.69 1tl6 h GLU 28 Cb 0.10 -0.02 -0.26 0.00 0.50 0.00 0.00 28.75 29.08 1tl6 h GLU 28 CO -0.01 0.05 0.49 -0.80 -1.00 0.00 0.00 179.01 177.73 1tl6 s ASN 29 N -5.24 7.10 0.14 1.42 0.02 -0.43 -4.90 114.94 113.05 1tl6 s ASN 29 Ca -0.13 -3.19 0.04 0.00 -1.02 0.00 0.00 52.86 48.56 1tl6 s ASN 29 Cb 0.08 -2.24 0.40 0.00 0.02 0.00 0.00 41.25 39.51 1tl6 s ASN 29 CO 0.67 -0.46 0.65 0.54 0.02 0.00 0.00 177.10 178.52 1tl6 n ARG 30 N 3.62 -0.03 0.16 -0.60 1.74 -1.23 -0.17 116.66 120.15 1tl6 n ARG 30 Ca 0.23 0.60 0.02 0.00 -0.77 0.00 0.00 57.85 57.93 1tl6 n ARG 30 Cb 0.42 -1.00 0.24 0.00 -1.02 0.00 0.00 32.46 31.10 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 0.83 0.97 0.00 7.54 0.00 -1.90 -2.52 119.26 124.17 1tl6 h ALA 31 Ca 0.29 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1tl6 h ALA 31 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1tl6 h ALA 31 CO -0.36 0.63 -0.68 -0.97 0.00 0.00 0.00 179.25 177.87 1tl6 h ASN 32 N 0.00 0.00 0.12 0.00 -1.24 -0.79 -2.65 115.58 111.02 1tl6 h ASN 32 Ca -0.01 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 1tl6 h ASN 32 Cb 1.02 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 1tl6 h ASN 32 CO 0.07 0.05 -0.13 0.15 -1.29 0.00 0.00 177.43 176.27 1tl6 h PHE 33 N 0.00 -0.36 -0.73 0.67 3.57 -1.02 -2.55 116.94 116.52 1tl6 h PHE 33 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1tl6 h PHE 33 Cb 0.88 0.14 -0.12 0.00 2.79 0.00 0.00 35.95 39.63 1tl6 h PHE 33 CO 0.00 -0.17 -0.26 -0.89 -2.23 0.00 0.00 178.31 174.76 1tl6 n ILE 34 N -3.09 -0.36 0.88 1.41 -0.00 -1.07 -1.04 119.36 116.09 1tl6 n ILE 34 Ca -0.03 1.69 0.13 0.00 -0.00 0.00 0.00 62.75 64.54 1tl6 n ILE 34 Cb 0.12 -2.26 0.48 0.00 -0.00 0.00 0.00 39.64 37.98 1tl6 n ILE 34 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1tl6 n ALA 35 N -3.65 2.53 -0.03 -1.39 0.00 -1.00 -2.22 120.51 114.75 1tl6 n ALA 35 Ca 0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1tl6 n ALA 35 Cb 0.31 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 1tl6 n ALA 35 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1tl6 h PHE 36 N 0.00 0.17 -0.31 0.00 3.57 -0.64 -3.14 116.94 116.60 1tl6 h PHE 36 Ca 0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 1tl6 h PHE 36 Cb 0.58 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1tl6 h PHE 36 CO 0.00 0.37 0.37 -0.07 -2.23 0.00 0.00 178.31 176.75 1tl6 h LEU 37 N -0.07 0.00 -0.19 0.59 3.38 -1.25 -0.89 115.31 116.88 1tl6 h LEU 37 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1tl6 h LEU 37 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1tl6 h LEU 37 CO 0.00 0.00 -0.08 0.78 0.09 0.00 0.00 178.44 179.23 1tl6 h ASN 38 N 0.00 0.39 0.30 -0.43 -0.26 -1.43 -3.03 115.58 111.13 1tl6 h ASN 38 Ca 0.15 -0.40 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1tl6 h ASN 38 Cb 0.89 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.01 1tl6 h ASN 38 CO -0.00 0.71 -0.44 -0.08 -1.06 0.00 0.00 177.43 176.56 1tl6 h GLU 39 N 0.08 -0.77 -0.57 0.81 4.81 -1.17 -3.34 114.58 114.42 1tl6 h GLU 39 Ca 0.04 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.49 1tl6 h GLU 39 Cb 0.55 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1tl6 h GLU 39 CO 0.03 -0.51 0.56 0.82 -0.73 0.00 0.00 179.01 179.17 1tl6 h ILE 40 N -0.80 0.38 0.00 2.32 2.04 -1.21 -3.44 117.51 116.80 1tl6 h ILE 40 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1tl6 h ILE 40 Cb 0.75 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1tl6 h ILE 40 CO -0.14 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.62 1tl6 n GLY 41 N -1.56 0.87 3.64 5.37 0.00 -1.23 -5.08 105.19 107.21 1tl6 n GLY 41 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1tl6 n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tl6 n VAL 42 N -0.89 0.61 -4.86 1.61 0.31 -1.15 -4.99 118.33 108.97 1tl6 n VAL 42 Ca 0.00 -0.20 -0.26 0.00 -0.01 0.00 0.00 64.34 63.87 1tl6 n VAL 42 Cb 0.00 -2.22 -0.15 0.00 -0.91 0.00 0.00 33.84 30.56 1tl6 n VAL 42 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1tl6 s THR 43 N 5.28 1.63 0.00 2.52 2.01 -1.26 -4.07 115.64 121.76 1tl6 s THR 43 Ca 0.93 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1tl6 s THR 43 Cb -0.51 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 70.63 1tl6 s THR 43 CO 0.44 0.36 0.00 0.00 -0.69 0.00 0.00 174.62 174.73 1tl6 n HIS 44 N 2.30 0.00 -1.08 4.92 1.44 -0.81 -4.96 115.22 117.03 1tl6 n HIS 44 Ca -0.16 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.50 1tl6 n HIS 44 Cb 0.53 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 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 0.00 0.02 0.00 -1.40 1.02 -1.26 -4.36 120.64 114.66 1tl6 n GLU 45 Ca 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 1tl6 n GLU 45 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 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 4.67 2.64 3.54 0.62 0.00 -1.26 -4.87 105.19 110.54 1tl6 n GLY 46 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.83 0.81 1.61 0.52 -1.26 -5.12 118.95 117.35 1tl6 s ARG 47 Ca 0.00 -2.06 -0.12 0.00 -0.52 0.00 0.00 55.73 53.03 1tl6 s ARG 47 Cb 0.00 -1.07 0.08 0.00 0.52 0.00 0.00 34.95 34.48 1tl6 s ARG 47 CO 0.00 -0.23 1.10 0.15 0.02 0.00 0.00 175.30 176.34 1tl6 s LYS 48 N -3.82 1.94 -0.11 3.54 -0.14 -1.26 -1.92 119.74 117.97 1tl6 s LYS 48 Ca 0.30 0.60 -0.24 0.00 -1.36 0.00 0.00 55.97 55.27 1tl6 s LYS 48 Cb 0.07 -1.91 -0.03 0.00 -1.68 0.00 0.00 37.83 34.29 1tl6 s LYS 48 CO 0.14 -1.71 0.75 -1.17 -0.76 0.00 0.00 175.35 172.60 1tl6 s LEU 49 N -5.82 4.26 0.00 3.17 2.96 -1.26 -4.81 118.68 117.18 1tl6 s LEU 49 Ca 0.61 1.17 -0.00 0.00 -0.22 0.00 0.00 54.13 55.69 1tl6 s LEU 49 Cb -0.15 -3.14 0.08 0.00 0.50 0.00 0.00 46.19 43.49 1tl6 s LEU 49 CO 0.54 -0.22 0.54 0.59 -1.32 0.00 0.00 176.35 176.47 1tl6 n ASN 50 N 4.35 0.70 -0.07 3.68 4.13 -1.26 -4.85 115.26 121.94 1tl6 n ASN 50 Ca 0.01 -1.60 -0.22 0.00 1.68 0.00 0.00 54.58 54.45 1tl6 n ASN 50 Cb 0.50 -0.35 -0.12 0.00 -1.54 0.00 0.00 39.78 38.27 1tl6 n ASN 50 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1tl6 n GLN 51 N -2.00 0.63 0.00 3.52 -0.06 -1.26 -4.50 117.38 113.72 1tl6 n GLN 51 Ca 0.09 0.44 0.07 0.00 -2.00 0.00 0.00 57.00 55.60 1tl6 n GLN 51 Cb 0.31 -1.72 0.32 0.00 -4.06 0.00 0.00 30.24 25.10 1tl6 n GLN 51 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1tl6 n ASN 52 N -4.08 0.00 0.00 1.69 3.02 -1.26 -3.19 115.26 111.44 1tl6 n ASN 52 Ca -0.34 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.59 1tl6 n ASN 52 Cb 0.82 -0.37 0.66 0.00 -0.61 0.00 0.00 39.78 40.28 1tl6 n ASN 52 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1tl6 n SER 53 N -1.37 0.00 -0.03 6.41 3.41 -1.26 -3.69 113.62 117.09 1tl6 n SER 53 Ca 0.05 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1tl6 n SER 53 Cb 0.13 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1tl6 n SER 53 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1tl6 n PHE 54 N -1.24 0.01 -0.31 7.33 1.16 -1.19 -1.92 117.46 121.30 1tl6 n PHE 54 Ca 0.13 0.10 0.06 0.00 -1.87 0.00 0.00 57.45 55.87 1tl6 n PHE 54 Cb 0.18 -0.54 0.21 0.00 -1.61 0.00 0.00 39.48 37.73 1tl6 n PHE 54 CO 0.00 0.00 0.00 0.07 -1.87 0.00 0.00 176.76 174.96 1tl6 h ARG 55 N 0.00 0.76 0.10 3.97 0.11 -1.91 -2.47 114.38 114.95 1tl6 h ARG 55 Ca 0.03 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1tl6 h ARG 55 Cb 0.05 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 30.96 1tl6 h ARG 55 CO -0.08 0.51 -0.05 0.87 0.10 0.00 0.00 179.97 181.31 1tl6 h LYS 56 N 0.79 -0.13 -0.93 0.08 1.79 -1.69 -2.98 116.57 113.49 1tl6 h LYS 56 Ca 0.45 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.92 1tl6 h LYS 56 Cb 0.51 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1tl6 h LYS 56 CO -0.29 0.30 0.54 0.82 -1.08 0.00 0.00 179.45 179.73 1tl6 h ILE 57 N -0.62 1.26 0.00 1.86 2.04 -1.41 -1.40 117.51 119.24 1tl6 h ILE 57 Ca -0.01 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1tl6 h ILE 57 Cb 0.50 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1tl6 h ILE 57 CO 0.02 0.28 0.00 -0.37 0.00 0.00 0.00 178.15 178.09 1tl6 h VAL 58 N 1.29 0.00 0.14 1.67 -1.51 -1.57 0.31 116.25 116.58 1tl6 h VAL 58 Ca 0.33 -0.66 -0.01 0.00 -1.23 0.00 0.00 66.70 65.13 1tl6 h VAL 58 Cb -0.02 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1tl6 h VAL 58 CO -0.06 0.00 -0.07 0.28 -1.23 0.00 0.00 177.57 176.50 1tl6 h SER 59 N 0.00 -0.15 -0.23 4.19 0.02 -1.09 -3.37 113.55 112.91 1tl6 h SER 59 Ca 0.00 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1tl6 h SER 59 Cb 0.70 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1tl6 h SER 59 CO 0.00 0.15 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.41 1tl6 h GLU 60 N -0.47 0.48 -5.30 3.45 5.08 -1.20 -3.37 114.58 113.24 1tl6 h GLU 60 Ca -0.02 -0.21 -0.34 0.00 -1.00 0.00 0.00 59.36 57.80 1tl6 h GLU 60 Cb 0.38 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1tl6 h GLU 60 CO 0.03 0.75 1.32 1.28 -1.00 0.00 0.00 179.01 181.39 1tl6 n LEU 61 N -4.52 1.11 0.00 1.33 4.77 0.06 -4.89 117.00 114.87 1tl6 n LEU 61 Ca -0.04 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1tl6 n LEU 61 Cb 0.33 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1tl6 n LEU 61 CO 0.40 -1.64 0.00 0.35 -1.33 0.00 0.00 177.39 175.17 1tl6 n THR 62 N 7.69 0.00 0.09 -5.08 -2.24 -1.26 -4.80 114.28 108.68 1tl6 n THR 62 Ca 0.51 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.23 1tl6 n THR 62 Cb 0.33 -0.22 0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1tl6 n THR 62 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1tl6 h GLN 63 N 0.00 0.16 -0.60 -0.78 3.07 -1.98 -0.67 115.11 114.32 1tl6 h GLN 63 Ca 0.00 -0.15 0.10 0.00 0.09 0.00 0.00 58.65 58.69 1tl6 h GLN 63 Cb 0.00 0.04 -0.11 0.00 0.08 0.00 0.00 27.48 27.48 1tl6 h GLN 63 CO 0.00 0.84 -0.37 0.93 0.09 0.00 0.00 178.83 180.32 1tl6 h GLU 64 N 0.10 -0.17 -0.11 0.06 3.07 -1.97 -0.34 114.58 115.21 1tl6 h GLU 64 Ca -0.02 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.77 1tl6 h GLU 64 Cb 1.33 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1tl6 h GLU 64 CO 0.11 -0.12 -0.22 -0.44 -1.40 0.00 0.00 179.01 176.95 1tl6 h ASP 65 N -0.18 0.39 0.11 1.42 5.19 -1.74 -2.91 116.42 118.71 1tl6 h ASP 65 Ca 0.22 -0.55 0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1tl6 h ASP 65 Cb 0.56 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 1tl6 h ASP 65 CO -0.69 0.87 -0.20 0.50 -3.12 0.00 0.00 179.24 176.60 1tl6 h LYS 66 N -0.08 -0.37 0.00 3.56 3.64 -1.02 -1.14 116.57 121.16 1tl6 h LYS 66 Ca 0.00 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1tl6 h LYS 66 Cb 0.80 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1tl6 h LYS 66 CO 0.05 -0.25 -0.23 -0.22 -2.27 0.00 0.00 179.45 176.53 1tl6 h LYS 67 N -0.39 0.00 -0.16 1.90 1.63 -1.15 -2.44 116.57 115.97 1tl6 h LYS 67 Ca 0.03 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.63 1tl6 h LYS 67 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1tl6 h LYS 67 CO -0.11 0.23 -0.68 1.15 -3.45 0.00 0.00 179.45 176.59 1tl6 h THR 68 N 0.00 1.31 -0.26 1.00 2.02 -1.25 0.16 112.91 115.89 1tl6 h THR 68 Ca -0.00 -1.94 0.05 0.00 0.77 0.00 0.00 66.41 65.29 1tl6 h THR 68 Cb 0.52 1.91 -0.08 0.00 -1.74 0.00 0.00 68.15 68.76 1tl6 h THR 68 CO 0.03 0.61 -0.43 0.25 0.37 0.00 0.00 175.52 176.34 1tl6 h LEU 69 N 0.47 -1.40 -0.50 2.58 7.12 -0.72 0.92 115.31 123.77 1tl6 h LEU 69 Ca -0.02 0.20 0.09 0.00 0.13 0.00 0.00 57.88 58.28 1tl6 h LEU 69 Cb 1.28 0.59 -0.08 0.00 -0.53 0.00 0.00 40.66 41.92 1tl6 h LEU 69 CO 0.13 -0.40 0.04 0.40 -0.13 0.00 0.00 178.44 178.48 1tl6 h ILE 70 N -0.42 0.64 -0.02 4.05 2.04 -1.54 -0.69 117.51 121.57 1tl6 h ILE 70 Ca 0.10 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1tl6 h ILE 70 Cb 0.61 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1tl6 h ILE 70 CO -0.49 0.03 -0.02 -0.78 0.00 0.00 0.00 178.15 176.90 1tl6 h ASP 71 N 0.16 -0.05 0.07 1.72 3.58 -0.02 -3.31 116.42 118.56 1tl6 h ASP 71 Ca 0.25 0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.51 1tl6 h ASP 71 Cb 0.37 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1tl6 h ASP 71 CO -0.39 -0.03 -1.06 -0.08 -2.88 0.00 0.00 179.24 174.80 1tl6 h GLU 72 N -0.02 0.15 -2.05 0.28 4.57 -0.82 -3.43 114.58 113.25 1tl6 h GLU 72 Ca 0.02 -0.26 -0.52 0.00 -1.18 0.00 0.00 59.36 57.42 1tl6 h GLU 72 Cb 0.04 0.10 -0.40 0.00 -0.16 0.00 0.00 28.75 28.33 1tl6 h GLU 72 CO -0.03 1.12 -1.07 0.34 -1.18 0.00 0.00 179.01 178.19 1tl6 n PHE 73 N -4.18 0.82 0.21 0.92 7.35 -0.27 -4.90 117.46 117.42 1tl6 n PHE 73 Ca -0.23 -3.81 0.06 0.00 -0.76 0.00 0.00 57.45 52.72 1tl6 n PHE 73 Cb 0.77 -0.42 0.48 0.00 0.35 0.00 0.00 39.48 40.66 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 3.27 0.00 -0.95 -2.13 -1.24 -1.69 -2.41 115.58 110.42 1tl6 h ASN 74 Ca 0.10 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.17 1tl6 h ASN 74 Cb 0.87 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.85 1tl6 h ASN 74 CO 0.56 0.27 0.61 -0.33 -1.29 0.00 0.00 177.43 177.25 1tl6 h GLU 75 N 0.00 1.10 0.29 6.67 4.39 -1.92 0.17 114.58 125.27 1tl6 h GLU 75 Ca -0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1tl6 h GLU 75 Cb 0.56 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1tl6 h GLU 75 CO 0.04 0.73 -0.14 0.78 -1.16 0.00 0.00 179.01 179.25 1tl6 h GLY 76 N 1.13 -0.41 0.74 -3.84 0.00 -1.85 -2.27 103.07 96.57 1tl6 h GLY 76 Ca 0.40 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.87 1tl6 h GLY 76 CO -0.16 -0.15 -0.35 -2.75 0.00 0.00 0.00 176.54 173.14 1tl6 h PHE 77 N -0.82 -0.93 0.00 5.60 3.57 -1.27 -0.74 116.94 122.35 1tl6 h PHE 77 Ca -0.04 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1tl6 h PHE 77 Cb 0.51 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1tl6 h PHE 77 CO 0.04 -0.51 -0.03 1.49 -2.23 0.00 0.00 178.31 177.07 1tl6 h GLU 78 N -0.79 0.00 -0.16 1.11 4.81 -0.84 -2.31 114.58 116.41 1tl6 h GLU 78 Ca -0.04 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1tl6 h GLU 78 Cb 0.68 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1tl6 h GLU 78 CO -0.00 0.03 -0.13 0.78 -0.73 0.00 0.00 179.01 178.96 1tl6 h GLY 79 N 3.16 0.40 1.19 1.92 0.00 -1.13 -0.63 103.07 107.97 1tl6 h GLY 79 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1tl6 h GLY 79 CO 0.00 0.36 -0.16 -0.39 0.00 0.00 0.00 176.54 176.35 1tl6 h VAL 80 N 0.01 1.27 0.13 4.60 -1.51 -1.09 -2.70 116.25 116.95 1tl6 h VAL 80 Ca 0.03 -1.30 0.01 0.00 -1.23 0.00 0.00 66.70 64.21 1tl6 h VAL 80 Cb 0.65 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1tl6 h VAL 80 CO 0.03 0.45 -0.14 0.22 -1.23 0.00 0.00 177.57 176.90 1tl6 h TYR 81 N 0.83 -0.37 -0.67 5.19 3.20 -1.38 0.15 116.97 123.91 1tl6 h TYR 81 Ca 0.12 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1tl6 h TYR 81 Cb 0.70 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1tl6 h TYR 81 CO 0.04 -0.22 0.26 -0.09 -1.64 0.00 0.00 178.16 176.51 1tl6 h ARG 82 N -0.31 1.00 -0.31 1.82 2.43 -1.11 -1.53 114.38 116.38 1tl6 h ARG 82 Ca 0.01 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1tl6 h ARG 82 Cb 0.30 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1tl6 h ARG 82 CO -0.05 0.84 0.11 -0.92 -1.51 0.00 0.00 179.97 178.45 1tl6 h TYR 83 N 0.95 0.48 -0.96 2.20 3.20 -1.45 -2.84 116.97 118.55 1tl6 h TYR 83 Ca 0.22 -0.04 0.20 0.00 3.14 0.00 0.00 58.73 62.25 1tl6 h TYR 83 Cb 0.22 -0.14 -0.11 0.00 1.54 0.00 0.00 36.73 38.24 1tl6 h TYR 83 CO 0.02 0.48 0.54 -0.07 -1.64 0.00 0.00 178.16 177.48 1tl6 h LEU 84 N 0.35 0.64 -0.93 2.82 3.38 -0.15 0.29 115.31 121.70 1tl6 h LEU 84 Ca 0.10 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1tl6 h LEU 84 Cb 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1tl6 h LEU 84 CO -0.01 0.18 -0.10 -0.33 0.09 0.00 0.00 178.44 178.27 1tl6 h GLU 85 N 0.63 0.00 0.10 1.13 4.39 -1.12 -2.86 114.58 116.86 1tl6 h GLU 85 Ca 0.57 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.91 1tl6 h GLU 85 Cb 0.97 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 1tl6 h GLU 85 CO -0.43 0.10 -1.99 -0.12 -1.16 0.00 0.00 179.01 175.41 1tl6 n MET 86 N -3.19 0.74 0.00 2.33 1.56 0.15 -4.79 117.12 113.92 1tl6 n MET 86 Ca 0.01 0.28 0.00 0.00 -0.27 0.00 0.00 57.70 57.72 1tl6 n MET 86 Cb 0.42 -1.69 0.00 0.00 2.15 0.00 0.00 33.22 34.10 1tl6 n MET 86 CO 0.00 0.00 0.00 2.48 -0.73 0.00 0.00 175.97 177.72 1tl6 n TYR 87 N -3.54 0.00 -3.59 1.12 4.11 0.79 -5.06 117.16 110.98 1tl6 n TYR 87 Ca -0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.54 1tl6 n TYR 87 Cb 1.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 39.34 40.24 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 -0.39 -0.38 -1.12 -3.48 -1.32 -1.08 -5.04 115.64 102.83 1tl6 s THR 88 Ca 0.00 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 1tl6 s THR 88 Cb 0.00 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 1tl6 s THR 88 CO 0.00 0.00 1.40 0.20 -2.21 0.00 0.00 174.62 174.01 1tl6 s ASN 89 N 2.08 6.83 0.00 8.08 0.01 -1.22 -4.87 114.94 125.85 1tl6 s ASN 89 Ca -0.07 -2.43 0.13 0.00 -0.71 0.00 0.00 52.86 49.78 1tl6 s ASN 89 Cb -0.07 -2.45 0.78 0.00 0.41 0.00 0.00 41.25 39.92 1tl6 s ASN 89 CO -0.18 -1.01 1.21 2.29 -1.51 0.00 0.00 177.10 177.90