#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 3.78 0.36 -3.83 -0.14 -1.26 -4.97 119.74 113.68 1tl6 s LYS 3 Ca 0.00 0.34 0.07 0.00 -1.36 0.00 0.00 55.97 55.02 1tl6 s LYS 3 Cb 0.00 -2.52 0.78 0.00 -1.68 0.00 0.00 37.83 34.42 1tl6 s LYS 3 CO 0.00 0.13 1.93 -0.91 -0.76 0.00 0.00 175.35 175.74 1tl6 h ASN 4 N 1.77 0.64 0.08 2.83 2.35 -1.97 -1.59 115.58 119.70 1tl6 h ASN 4 Ca -0.47 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1tl6 h ASN 4 Cb 1.18 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1tl6 h ASN 4 CO 0.66 0.39 -0.04 0.40 -1.65 0.00 0.00 177.43 177.18 1tl6 h ILE 5 N 0.72 1.11 -0.40 2.81 2.04 -1.96 -0.89 117.51 120.94 1tl6 h ILE 5 Ca 0.36 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1tl6 h ILE 5 Cb 0.44 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 1tl6 h ILE 5 CO -0.13 0.18 -0.25 -0.78 0.00 0.00 0.00 178.15 177.17 1tl6 h ASP 6 N -0.45 -0.90 -0.22 1.72 3.58 -1.93 0.44 116.42 118.65 1tl6 h ASP 6 Ca -0.01 0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.63 1tl6 h ASP 6 Cb 0.38 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 41.77 1tl6 h ASP 6 CO 0.02 -0.10 -0.15 0.74 -2.88 0.00 0.00 179.24 176.87 1tl6 h THR 7 N -0.01 0.57 -0.32 2.25 2.02 -1.20 -2.61 112.91 113.61 1tl6 h THR 7 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1tl6 h THR 7 Cb 0.18 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1tl6 h THR 7 CO -0.38 0.00 0.09 0.58 0.37 0.00 0.00 175.52 176.17 1tl6 h VAL 8 N -0.14 1.21 -0.64 3.16 2.07 -1.07 -1.56 116.25 119.29 1tl6 h VAL 8 Ca 0.13 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1tl6 h VAL 8 Cb 0.33 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1tl6 h VAL 8 CO -0.31 0.24 0.39 0.08 0.02 0.00 0.00 177.57 177.99 1tl6 h ARG 9 N 0.36 0.87 -0.72 1.57 0.11 0.06 -1.84 114.38 114.79 1tl6 h ARG 9 Ca 0.10 -0.08 0.02 0.00 0.10 0.00 0.00 59.98 60.13 1tl6 h ARG 9 Cb 0.28 -0.18 -0.04 0.00 1.11 0.00 0.00 29.97 31.13 1tl6 h ARG 9 CO -0.00 0.62 0.46 0.93 0.10 0.00 0.00 179.97 182.07 1tl6 h GLU 10 N 0.87 0.87 -0.22 0.08 5.08 -1.49 -0.77 114.58 119.00 1tl6 h GLU 10 Ca 0.23 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1tl6 h GLU 10 Cb -0.03 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 28.97 1tl6 h GLU 10 CO -0.04 0.58 -0.12 0.82 -1.00 0.00 0.00 179.01 179.25 1tl6 h ILE 11 N 0.90 0.63 -0.12 3.13 2.04 -0.67 -2.00 117.51 121.42 1tl6 h ILE 11 Ca 0.28 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.14 1tl6 h ILE 11 Cb -0.01 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1tl6 h ILE 11 CO -0.10 0.00 0.06 0.40 0.00 0.00 0.00 178.15 178.52 1tl6 h ILE 12 N -0.10 1.09 -0.12 -0.67 2.04 -1.14 -1.04 117.51 117.57 1tl6 h ILE 12 Ca 0.12 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1tl6 h ILE 12 Cb 0.28 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1tl6 h ILE 12 CO -0.28 0.08 -0.04 0.74 0.00 0.00 0.00 178.15 178.65 1tl6 h THR 13 N 0.09 0.85 -0.34 -0.27 2.02 -1.07 -0.27 112.91 113.92 1tl6 h THR 13 Ca 0.04 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.05 1tl6 h THR 13 Cb 0.07 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1tl6 h THR 13 CO -0.01 0.00 -0.44 0.58 0.37 0.00 0.00 175.52 176.02 1tl6 h VAL 14 N -0.02 1.28 0.23 3.16 2.07 -1.31 -2.36 116.25 119.29 1tl6 h VAL 14 Ca 0.06 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1tl6 h VAL 14 Cb 0.11 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1tl6 h VAL 14 CO -0.13 0.54 -0.22 0.00 0.02 0.00 0.00 177.57 177.77 1tl6 h ALA 15 N 0.79 -0.46 -0.68 1.67 0.00 -1.05 -2.83 119.26 116.70 1tl6 h ALA 15 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1tl6 h ALA 15 Cb 1.03 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1tl6 h ALA 15 CO 0.10 -0.78 0.21 0.66 0.00 0.00 0.00 179.25 179.44 1tl6 h SER 16 N -0.48 0.98 -0.96 0.00 4.64 -1.02 0.11 113.55 116.82 1tl6 h SER 16 Ca -0.00 -0.18 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1tl6 h SER 16 Cb 0.44 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 1tl6 h SER 16 CO -0.05 0.92 0.62 0.40 -0.87 0.00 0.00 176.83 177.86 1tl6 h ILE 17 N 1.01 1.16 0.00 0.95 2.04 -1.43 -2.85 117.51 118.39 1tl6 h ILE 17 Ca 0.22 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1tl6 h ILE 17 Cb 0.29 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1tl6 h ILE 17 CO -0.01 0.22 -0.26 0.25 0.00 0.00 0.00 178.15 178.35 1tl6 h LEU 18 N 1.21 0.00 -1.10 1.44 6.46 -1.14 -3.39 115.31 118.78 1tl6 h LEU 18 Ca 0.38 -0.65 -0.09 0.00 -0.12 0.00 0.00 57.88 57.40 1tl6 h LEU 18 Cb 0.01 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1tl6 h LEU 18 CO -0.13 0.97 -0.45 0.16 -0.62 0.00 0.00 178.44 178.38 1tl6 h ILE 19 N -1.00 1.31 0.00 4.05 3.07 -0.85 -3.13 117.51 120.97 1tl6 h ILE 19 Ca -0.06 -1.54 0.00 0.00 1.55 0.00 0.00 64.86 64.81 1tl6 h ILE 19 Cb 0.82 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.20 1tl6 h ILE 19 CO -0.04 0.44 0.00 0.29 -1.05 0.00 0.00 178.15 177.79 1tl6 n LYS 20 N -3.99 0.00 -3.53 0.16 5.02 -1.08 -3.98 118.16 110.75 1tl6 n LYS 20 Ca -0.02 0.57 -0.39 0.00 -2.02 0.00 0.00 58.31 56.45 1tl6 n LYS 20 Cb 0.47 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 1tl6 n LYS 20 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1tl6 s PHE 21 N -1.88 4.01 0.00 2.13 5.36 -1.22 -4.78 117.98 121.61 1tl6 s PHE 21 Ca 0.00 -2.89 0.00 0.00 -0.96 0.00 0.00 56.93 53.08 1tl6 s PHE 21 Cb 0.00 -3.45 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 1tl6 s PHE 21 CO 0.00 -0.82 0.00 0.45 -1.46 0.00 0.00 175.22 173.39 1tl6 n SER 22 N 2.51 0.00 -3.71 6.13 2.88 -1.18 -4.95 113.62 115.30 1tl6 n SER 22 Ca 0.22 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.63 1tl6 n SER 22 Cb 0.38 0.03 -0.13 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.08 0.20 0.13 -1.46 3.00 -1.26 -5.00 118.95 114.48 1tl6 s ARG 23 Ca 0.00 0.61 0.18 0.00 0.00 0.00 0.00 55.73 56.53 1tl6 s ARG 23 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 34.95 34.79 1tl6 s ARG 23 CO 0.00 -0.20 0.95 0.93 0.00 0.00 0.00 175.30 176.98 1tl6 h GLU 24 N 7.53 0.00 0.00 3.54 3.07 -1.92 -3.31 114.58 123.49 1tl6 h GLU 24 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1tl6 h GLU 24 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1tl6 h GLU 24 CO 0.30 0.22 0.07 -0.25 -1.40 0.00 0.00 179.01 177.95 1tl6 n ASP 25 N -2.86 0.00 -0.09 1.42 8.00 -1.26 -1.72 116.55 120.04 1tl6 n ASP 25 Ca -0.06 0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.32 1tl6 n ASP 25 Cb 0.74 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.79 1tl6 n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1tl6 n ILE 26 N -0.61 1.47 0.28 0.53 5.41 -1.25 -4.62 119.36 120.57 1tl6 n ILE 26 Ca 0.00 0.08 0.18 0.00 1.00 0.00 0.00 62.75 64.01 1tl6 n ILE 26 Cb 0.07 -2.24 0.92 0.00 -0.71 0.00 0.00 39.64 37.68 1tl6 n ILE 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1tl6 h VAL 27 N -1.00 0.17 -1.27 1.39 -1.51 -1.59 -2.94 116.25 109.50 1tl6 h VAL 27 Ca -0.16 0.00 0.44 0.00 -1.23 0.00 0.00 66.70 65.75 1tl6 h VAL 27 Cb 0.91 0.80 -0.14 0.00 -2.13 0.00 0.00 31.29 30.72 1tl6 h VAL 27 CO -0.10 0.00 0.80 1.05 -1.23 0.00 0.00 177.57 178.09 1tl6 h GLU 28 N 0.00 0.06 -4.35 5.19 -0.00 -1.80 -3.37 114.58 110.32 1tl6 h GLU 28 Ca 0.04 -0.00 -0.55 0.00 -0.00 0.00 0.00 59.36 58.84 1tl6 h GLU 28 Cb 0.48 -0.01 -0.37 0.00 -0.00 0.00 0.00 28.75 28.85 1tl6 h GLU 28 CO -0.00 0.04 -0.81 1.21 -0.00 0.00 0.00 179.01 179.45 1tl6 s ASN 29 N -4.45 2.43 0.05 3.06 2.47 -1.11 -5.07 114.94 112.33 1tl6 s ASN 29 Ca -0.08 -0.41 -0.10 0.00 0.42 0.00 0.00 52.86 52.69 1tl6 s ASN 29 Cb 0.31 -0.95 -0.02 0.00 -1.45 0.00 0.00 41.25 39.13 1tl6 s ASN 29 CO 0.81 -0.11 0.70 0.54 -3.72 0.00 0.00 177.10 175.33 1tl6 n ARG 30 N 4.88 -0.14 0.26 0.43 1.74 -1.26 -1.18 116.66 121.39 1tl6 n ARG 30 Ca -0.14 0.69 0.12 0.00 -0.77 0.00 0.00 57.85 57.76 1tl6 n ARG 30 Cb 0.50 -1.02 0.70 0.00 -1.02 0.00 0.00 32.46 31.62 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 -0.04 1.31 -0.04 7.54 0.00 -1.96 -1.37 119.26 124.69 1tl6 h ALA 31 Ca 0.05 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1tl6 h ALA 31 Cb 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1tl6 h ALA 31 CO -0.30 0.16 -0.83 -0.97 0.00 0.00 0.00 179.25 177.30 1tl6 h ASN 32 N 0.00 0.50 0.11 0.00 -1.24 -1.62 -1.35 115.58 111.98 1tl6 h ASN 32 Ca -0.00 -0.36 -0.01 0.00 0.71 0.00 0.00 56.30 56.64 1tl6 h ASN 32 Cb 0.34 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1tl6 h ASN 32 CO 0.02 1.13 -0.05 0.15 -1.29 0.00 0.00 177.43 177.39 1tl6 h PHE 33 N 0.25 -0.14 0.14 0.67 3.57 -0.12 -2.67 116.94 118.64 1tl6 h PHE 33 Ca -0.05 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1tl6 h PHE 33 Cb 1.44 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.22 1tl6 h PHE 33 CO 0.05 0.26 -0.08 0.82 -2.23 0.00 0.00 178.31 177.13 1tl6 h ILE 34 N -0.58 0.83 0.00 1.41 2.04 -1.38 -2.74 117.51 117.08 1tl6 h ILE 34 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1tl6 h ILE 34 Cb 0.46 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1tl6 h ILE 34 CO 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.05 1tl6 h ALA 35 N 0.64 1.01 0.00 1.87 0.00 -1.28 0.22 119.26 121.72 1tl6 h ALA 35 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tl6 h ALA 35 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1tl6 h ALA 35 CO 0.02 0.16 -0.50 0.74 0.00 0.00 0.00 179.25 179.66 1tl6 h PHE 36 N 0.00 0.00 0.02 0.00 0.04 -1.47 -2.97 116.94 112.56 1tl6 h PHE 36 Ca -0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 1tl6 h PHE 36 Cb 0.67 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.79 1tl6 h PHE 36 CO 0.00 0.00 -1.31 1.25 -0.60 0.00 0.00 178.31 177.65 1tl6 h LEU 37 N 0.00 0.08 -0.79 1.54 5.85 -0.99 -3.31 115.31 117.68 1tl6 h LEU 37 Ca 0.00 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1tl6 h LEU 37 Cb 0.88 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1tl6 h LEU 37 CO 0.00 1.08 0.25 0.78 -0.34 0.00 0.00 178.44 180.21 1tl6 h ASN 38 N 0.01 1.08 -0.67 1.25 2.35 -0.63 -3.13 115.58 115.83 1tl6 h ASN 38 Ca -0.14 -0.20 0.12 0.00 -0.55 0.00 0.00 56.30 55.54 1tl6 h ASN 38 Cb 1.89 -0.28 -0.12 0.00 0.05 0.00 0.00 38.32 39.86 1tl6 h ASN 38 CO 0.12 0.99 -0.22 1.21 -1.65 0.00 0.00 177.43 177.88 1tl6 n GLU 39 N -4.26 -0.12 -0.29 0.81 0.00 -1.12 -1.23 120.64 114.44 1tl6 n GLU 39 Ca 0.06 1.04 0.23 0.00 0.00 0.00 0.00 57.16 58.49 1tl6 n GLU 39 Cb 0.22 -1.55 0.54 0.00 0.00 0.00 0.00 31.44 30.65 1tl6 n GLU 39 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1tl6 h ILE 40 N 0.00 0.57 0.00 6.31 2.04 -1.68 -3.45 117.51 121.30 1tl6 h ILE 40 Ca 0.27 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1tl6 h ILE 40 Cb 0.44 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1tl6 h ILE 40 CO -0.68 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.14 1tl6 n GLY 41 N -1.53 0.94 3.34 5.37 0.00 -0.36 -5.12 105.19 107.84 1tl6 n GLY 41 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.43 4.05 0.17 1.61 1.01 -1.14 -5.07 120.40 119.60 1tl6 s VAL 42 Ca 0.00 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1tl6 s VAL 42 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1tl6 s VAL 42 CO 0.00 -0.01 -0.15 -0.89 0.00 0.00 0.00 175.10 174.05 1tl6 s THR 43 N 1.50 1.61 0.00 3.92 2.01 -1.26 -4.57 115.64 118.84 1tl6 s THR 43 Ca 0.02 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.02 1tl6 s THR 43 Cb -0.18 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1tl6 s THR 43 CO 0.03 -0.49 0.00 0.00 -0.69 0.00 0.00 174.62 173.47 1tl6 n HIS 44 N 0.04 0.00 -2.95 4.92 1.44 -0.94 -4.98 115.22 112.76 1tl6 n HIS 44 Ca -0.11 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.17 1tl6 n HIS 44 Cb 0.59 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.71 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 4.34 -0.50 -1.40 1.02 -1.26 -4.30 120.64 118.54 1tl6 n GLU 45 Ca 0.00 -4.44 0.00 0.00 -0.02 0.00 0.00 57.16 52.70 1tl6 n GLU 45 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 28.86 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 1.55 0.90 3.31 0.62 0.00 -1.26 -4.97 105.19 105.34 1tl6 n GLY 46 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.31 1.21 0.82 1.61 1.81 -1.26 -5.14 118.95 117.70 1tl6 s ARG 47 Ca 0.00 -1.39 -0.11 0.00 -1.72 0.00 0.00 55.73 52.51 1tl6 s ARG 47 Cb 0.00 -1.17 0.09 0.00 -0.45 0.00 0.00 34.95 33.42 1tl6 s ARG 47 CO 0.00 0.23 1.12 0.15 -0.68 0.00 0.00 175.30 176.12 1tl6 s LYS 48 N -2.91 1.77 -0.08 3.54 -0.14 -1.26 -2.20 119.74 118.47 1tl6 s LYS 48 Ca 0.15 1.35 -0.25 0.00 -1.36 0.00 0.00 55.97 55.86 1tl6 s LYS 48 Cb -0.05 -1.83 -0.03 0.00 -1.68 0.00 0.00 37.83 34.25 1tl6 s LYS 48 CO 0.06 -2.03 0.78 -1.17 -0.76 0.00 0.00 175.35 172.22 1tl6 s LEU 49 N -6.13 4.29 0.23 3.17 2.96 -1.26 -4.75 118.68 117.19 1tl6 s LEU 49 Ca 0.64 1.27 0.07 0.00 -0.22 0.00 0.00 54.13 55.89 1tl6 s LEU 49 Cb -0.20 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 1tl6 s LEU 49 CO 0.56 -0.21 0.13 0.20 -1.32 0.00 0.00 176.35 175.71 1tl6 s ASN 50 N 0.93 5.28 0.03 3.68 0.02 -1.26 -4.80 114.94 118.83 1tl6 s ASN 50 Ca 0.40 -0.31 0.20 0.00 -1.02 0.00 0.00 52.86 52.13 1tl6 s ASN 50 Cb -0.18 -1.28 0.83 0.00 0.02 0.00 0.00 41.25 40.64 1tl6 s ASN 50 CO 0.19 -0.00 1.63 0.00 0.02 0.00 0.00 177.10 178.93 1tl6 n GLN 51 N -0.90 0.03 -0.00 -0.60 10.64 -1.26 -2.40 117.38 122.88 1tl6 n GLN 51 Ca -0.08 0.19 -0.17 0.00 -1.83 0.00 0.00 57.00 55.11 1tl6 n GLN 51 Cb 0.57 -1.54 -0.10 0.00 -0.86 0.00 0.00 30.24 28.31 1tl6 n GLN 51 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1tl6 h ASN 52 N 0.00 0.64 0.00 2.61 4.21 -2.02 -3.33 115.58 117.68 1tl6 h ASN 52 Ca 0.00 -0.71 0.00 0.00 1.21 0.00 0.00 56.30 56.80 1tl6 h ASN 52 Cb 0.35 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1tl6 h ASN 52 CO 0.00 1.26 0.00 -1.20 -1.29 0.00 0.00 177.43 176.20 1tl6 n SER 53 N -4.16 0.00 0.29 5.81 7.64 -1.01 -1.84 113.62 120.36 1tl6 n SER 53 Ca -0.09 -0.84 0.17 0.00 1.01 0.00 0.00 58.87 59.11 1tl6 n SER 53 Cb 0.68 0.00 0.87 0.00 -1.01 0.00 0.00 64.21 64.75 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 0.19 1.43 3.57 -1.69 -2.46 116.94 117.99 1tl6 h PHE 54 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1tl6 h PHE 54 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1tl6 h PHE 54 CO 0.00 0.05 -0.21 -0.09 -2.23 0.00 0.00 178.31 175.83 1tl6 h ARG 55 N 0.00 -0.43 -0.04 1.11 2.43 -1.65 -2.62 114.38 113.18 1tl6 h ARG 55 Ca -0.00 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1tl6 h ARG 55 Cb 0.29 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1tl6 h ARG 55 CO 0.01 -0.29 0.04 0.87 -1.51 0.00 0.00 179.97 179.09 1tl6 h LYS 56 N -0.44 0.00 0.18 0.20 1.79 -1.68 -1.63 116.57 114.98 1tl6 h LYS 56 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1tl6 h LYS 56 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1tl6 h LYS 56 CO -0.06 0.00 -0.08 0.82 -1.08 0.00 0.00 179.45 179.04 1tl6 h ILE 57 N 0.00 0.00 0.00 1.86 1.08 -1.28 -3.39 117.51 115.78 1tl6 h ILE 57 Ca 0.02 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1tl6 h ILE 57 Cb 0.09 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.84 1tl6 h ILE 57 CO -0.00 0.00 -0.88 0.55 -0.69 0.00 0.00 178.15 177.13 1tl6 n VAL 58 N -2.74 0.11 0.30 1.67 3.14 -1.01 -3.15 118.33 116.66 1tl6 n VAL 58 Ca -0.03 -0.15 0.16 0.00 -2.96 0.00 0.00 64.34 61.35 1tl6 n VAL 58 Cb 0.09 0.32 0.56 0.00 -1.06 0.00 0.00 33.84 33.75 1tl6 n VAL 58 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1tl6 h SER 59 N 0.00 0.00 0.73 6.55 0.87 -1.53 -2.99 113.55 117.18 1tl6 h SER 59 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1tl6 h SER 59 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1tl6 h SER 59 CO 0.00 0.00 -0.98 -0.62 -0.53 0.00 0.00 176.83 174.70 1tl6 n GLU 60 N -2.93 0.44 -2.95 2.24 -0.58 -1.19 -4.87 120.64 110.79 1tl6 n GLU 60 Ca 0.02 0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.41 1tl6 n GLU 60 Cb 0.34 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 1tl6 n GLU 60 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1tl6 s LEU 61 N -4.59 4.32 0.00 -4.62 1.43 -1.13 -5.05 118.68 109.04 1tl6 s LEU 61 Ca 0.02 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1tl6 s LEU 61 Cb 0.12 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1tl6 s LEU 61 CO 0.78 -0.17 0.00 0.41 0.23 0.00 0.00 176.35 177.60 1tl6 n THR 62 N 3.88 0.00 0.07 5.49 -1.04 -1.26 -5.01 114.28 116.41 1tl6 n THR 62 Ca 0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.81 1tl6 n THR 62 Cb 0.51 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.89 1tl6 n THR 62 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1tl6 h GLN 63 N 0.00 0.53 -0.56 -2.82 1.08 -1.99 -2.69 115.11 108.66 1tl6 h GLN 63 Ca 0.00 -0.72 0.10 0.00 -1.45 0.00 0.00 58.65 56.59 1tl6 h GLN 63 Cb 0.00 0.24 -0.08 0.00 -0.05 0.00 0.00 27.48 27.59 1tl6 h GLN 63 CO 0.00 1.31 0.08 0.93 -0.95 0.00 0.00 178.83 180.20 1tl6 h GLU 64 N 0.09 0.20 0.00 1.46 4.39 -2.01 -2.56 114.58 116.15 1tl6 h GLU 64 Ca -0.16 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.38 1tl6 h GLU 64 Cb 1.78 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.36 1tl6 h GLU 64 CO 0.20 0.13 -0.74 0.38 -1.16 0.00 0.00 179.01 177.83 1tl6 h ASP 65 N 0.21 0.00 -0.12 1.42 2.03 -1.99 -3.07 116.42 114.90 1tl6 h ASP 65 Ca 0.29 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.63 1tl6 h ASP 65 Cb 0.42 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.87 1tl6 h ASP 65 CO -0.40 0.64 -0.22 0.50 -1.03 0.00 0.00 179.24 178.73 1tl6 h LYS 66 N 0.00 -0.28 0.01 4.15 1.63 -1.10 -1.71 116.57 119.27 1tl6 h LYS 66 Ca -0.03 0.02 -0.22 0.00 -0.85 0.00 0.00 60.65 59.58 1tl6 h LYS 66 Cb 1.51 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 33.18 1tl6 h LYS 66 CO 0.08 -0.19 -1.04 -0.22 -3.45 0.00 0.00 179.45 174.64 1tl6 h LYS 67 N -0.29 0.01 -0.73 1.90 1.63 -1.66 -3.12 116.57 114.31 1tl6 h LYS 67 Ca 0.10 -0.02 0.11 0.00 -0.85 0.00 0.00 60.65 59.99 1tl6 h LYS 67 Cb 0.43 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.99 1tl6 h LYS 67 CO -0.28 0.99 0.34 1.15 -3.45 0.00 0.00 179.45 178.20 1tl6 h THR 68 N 0.00 0.78 0.57 1.00 2.02 -1.40 -1.05 112.91 114.83 1tl6 h THR 68 Ca -0.03 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1tl6 h THR 68 Cb 1.79 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1tl6 h THR 68 CO 0.13 0.10 -0.27 0.25 0.37 0.00 0.00 175.52 176.10 1tl6 h LEU 69 N 0.55 -0.65 -0.38 2.58 6.46 -1.27 -2.77 115.31 119.84 1tl6 h LEU 69 Ca 0.38 -0.04 0.08 0.00 -0.12 0.00 0.00 57.88 58.18 1tl6 h LEU 69 Cb 0.47 0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 40.48 1tl6 h LEU 69 CO -0.32 -0.29 -0.23 0.40 -0.62 0.00 0.00 178.44 177.39 1tl6 h ILE 70 N -1.05 0.37 -0.88 4.05 1.08 -1.54 0.07 117.51 119.62 1tl6 h ILE 70 Ca -0.08 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.55 1tl6 h ILE 70 Cb 0.65 0.37 -0.10 0.00 -3.07 0.00 0.00 36.82 34.67 1tl6 h ILE 70 CO 0.13 0.00 0.47 -0.78 -0.69 0.00 0.00 178.15 177.27 1tl6 h ASP 71 N -0.17 0.57 -0.04 1.72 1.82 -1.23 -2.77 116.42 116.31 1tl6 h ASP 71 Ca 0.18 0.09 -0.06 0.00 -0.39 0.00 0.00 57.03 56.86 1tl6 h ASP 71 Cb 0.46 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1tl6 h ASP 71 CO -0.48 0.23 -0.20 -0.08 -1.61 0.00 0.00 179.24 177.10 1tl6 h GLU 72 N 0.64 0.21 -1.83 0.28 4.81 -1.13 -3.44 114.58 114.12 1tl6 h GLU 72 Ca 0.49 -0.17 -0.25 0.00 -0.13 0.00 0.00 59.36 59.30 1tl6 h GLU 72 Cb 0.70 0.03 -0.30 0.00 0.63 0.00 0.00 28.75 29.82 1tl6 h GLU 72 CO -0.37 0.82 -0.58 0.12 -0.73 0.00 0.00 179.01 178.27 1tl6 s PHE 73 N -3.60 -0.79 0.02 0.92 5.36 -0.04 -5.00 117.98 114.85 1tl6 s PHE 73 Ca -0.15 0.02 -0.17 0.00 -0.96 0.00 0.00 56.93 55.66 1tl6 s PHE 73 Cb 0.02 -0.26 -0.30 0.00 -0.34 0.00 0.00 43.02 42.14 1tl6 s PHE 73 CO 0.74 -0.98 1.04 -2.95 -1.46 0.00 0.00 175.22 171.61 1tl6 h ASN 74 N 7.98 0.75 -0.94 6.13 -1.07 -1.73 -3.40 115.58 123.29 1tl6 h ASN 74 Ca -0.07 -0.86 0.27 0.00 0.07 0.00 0.00 56.30 55.71 1tl6 h ASN 74 Cb 1.10 -0.24 -0.14 0.00 -2.07 0.00 0.00 38.32 36.97 1tl6 h ASN 74 CO 0.27 1.54 0.43 -0.33 0.07 0.00 0.00 177.43 179.41 1tl6 h GLU 75 N 0.07 0.31 -0.04 4.14 4.39 -1.95 0.17 114.58 121.67 1tl6 h GLU 75 Ca -0.18 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1tl6 h GLU 75 Cb 1.84 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 1tl6 h GLU 75 CO 0.21 0.21 -0.13 0.78 -1.16 0.00 0.00 179.01 178.92 1tl6 h GLY 76 N 0.32 0.18 0.98 -3.84 0.00 -1.95 0.69 103.07 99.45 1tl6 h GLY 76 Ca 0.64 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1tl6 h GLY 76 CO -0.60 0.21 0.23 -2.75 0.00 0.00 0.00 176.54 173.63 1tl6 h PHE 77 N -0.39 0.79 -0.01 5.60 3.57 -1.67 -0.88 116.94 123.95 1tl6 h PHE 77 Ca -0.00 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1tl6 h PHE 77 Cb 0.76 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1tl6 h PHE 77 CO 0.13 0.63 0.01 1.49 -2.23 0.00 0.00 178.31 178.34 1tl6 h GLU 78 N 0.72 0.02 -0.22 1.11 4.81 -0.75 -0.11 114.58 120.15 1tl6 h GLU 78 Ca 0.18 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1tl6 h GLU 78 Cb 0.16 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 1tl6 h GLU 78 CO -0.02 0.17 -0.32 0.78 -0.73 0.00 0.00 179.01 178.90 1tl6 h GLY 79 N -0.14 -0.36 2.00 1.92 0.00 -0.78 -2.08 103.07 103.63 1tl6 h GLY 79 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1tl6 h GLY 79 CO -0.00 -0.21 0.00 -0.24 0.00 0.00 0.00 176.54 176.09 1tl6 h VAL 80 N -0.34 0.00 -0.51 4.60 3.04 -1.15 -2.91 116.25 118.99 1tl6 h VAL 80 Ca 0.12 -0.46 -0.12 0.00 -1.01 0.00 0.00 66.70 65.23 1tl6 h VAL 80 Cb 0.54 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 1tl6 h VAL 80 CO -0.41 0.00 -0.15 0.22 -1.01 0.00 0.00 177.57 176.22 1tl6 h TYR 81 N 0.00 1.11 -0.08 3.17 3.20 -0.34 0.20 116.97 124.23 1tl6 h TYR 81 Ca 0.00 -0.24 -0.08 0.00 3.14 0.00 0.00 58.73 61.55 1tl6 h TYR 81 Cb 0.55 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1tl6 h TYR 81 CO 0.00 1.05 -0.33 0.00 -1.64 0.00 0.00 178.16 177.24 1tl6 h ARG 82 N 0.87 0.14 -0.44 1.82 2.47 -1.23 -0.75 114.38 117.25 1tl6 h ARG 82 Ca 0.13 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1tl6 h ARG 82 Cb 0.71 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.00 1tl6 h ARG 82 CO 0.05 0.46 0.12 -0.92 0.56 0.00 0.00 179.97 180.24 1tl6 h TYR 83 N 0.13 0.73 -0.61 3.04 5.03 -1.40 -2.98 116.97 120.91 1tl6 h TYR 83 Ca 0.02 -0.08 0.05 0.00 2.58 0.00 0.00 58.73 61.30 1tl6 h TYR 83 Cb 0.65 -0.21 -0.05 0.00 1.55 0.00 0.00 36.73 38.67 1tl6 h TYR 83 CO 0.01 0.67 0.33 1.25 -1.32 0.00 0.00 178.16 179.10 1tl6 h LEU 84 N 0.58 0.48 -0.36 2.82 7.12 0.19 0.17 115.31 126.31 1tl6 h LEU 84 Ca 0.14 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 1tl6 h LEU 84 Cb 0.30 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 1tl6 h LEU 84 CO -0.00 0.32 0.19 -0.33 -0.13 0.00 0.00 178.44 178.49 1tl6 h GLU 85 N 0.62 0.50 -0.15 1.25 5.08 -1.19 -3.14 114.58 117.55 1tl6 h GLU 85 Ca 0.27 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1tl6 h GLU 85 Cb 0.17 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1tl6 h GLU 85 CO -0.18 0.42 -0.14 0.52 -1.00 0.00 0.00 179.01 178.63 1tl6 h MET 86 N 0.45 0.36 0.00 2.33 2.86 -1.30 -3.44 114.93 116.19 1tl6 h MET 86 Ca 0.13 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1tl6 h MET 86 Cb 0.06 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1tl6 h MET 86 CO -0.02 0.74 0.00 0.66 1.06 0.00 0.00 176.91 179.35 1tl6 n TYR 87 N -4.56 0.00 -3.60 -0.22 4.01 0.56 -5.09 117.16 108.26 1tl6 n TYR 87 Ca -0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.65 1tl6 n TYR 87 Cb 0.36 -0.06 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1tl6 s THR 88 N -0.58 -0.32 -0.18 -0.72 -1.32 -1.19 -5.05 115.64 106.27 1tl6 s THR 88 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 1tl6 s THR 88 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1tl6 s THR 88 CO 0.00 0.00 -0.05 0.21 -2.21 0.00 0.00 174.62 172.57 1tl6 s ASN 89 N 1.99 4.44 0.00 8.08 2.47 -1.26 -4.85 114.94 125.81 1tl6 s ASN 89 Ca -0.08 -0.29 0.30 0.00 0.42 0.00 0.00 52.86 53.22 1tl6 s ASN 89 Cb -0.06 -1.74 1.49 0.00 -1.45 0.00 0.00 41.25 39.49 1tl6 s ASN 89 CO -0.18 0.08 1.99 0.29 -3.72 0.00 0.00 177.10 175.56