#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 3.02 0.49 -3.83 -0.14 -1.26 -5.01 119.74 113.01 1tl6 s LYS 3 Ca 0.00 -0.59 0.19 0.00 -1.36 0.00 0.00 55.97 54.21 1tl6 s LYS 3 Cb 0.00 -2.81 1.23 0.00 -1.68 0.00 0.00 37.83 34.56 1tl6 s LYS 3 CO 0.00 0.60 2.03 -0.91 -0.76 0.00 0.00 175.35 176.31 1tl6 h ASN 4 N 3.54 0.14 0.01 2.83 4.21 -1.98 0.12 115.58 124.45 1tl6 h ASN 4 Ca -0.47 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.04 1tl6 h ASN 4 Cb 1.17 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1tl6 h ASN 4 CO 0.66 0.08 -0.01 0.40 -1.29 0.00 0.00 177.43 177.28 1tl6 h ILE 5 N 0.16 1.12 -0.13 2.81 2.04 -1.97 -0.18 117.51 121.35 1tl6 h ILE 5 Ca 0.20 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1tl6 h ILE 5 Cb 0.60 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1tl6 h ILE 5 CO -0.03 0.11 -0.23 -0.78 0.00 0.00 0.00 178.15 177.22 1tl6 h ASP 6 N -0.19 0.22 0.62 1.72 1.82 -1.82 0.40 116.42 119.19 1tl6 h ASP 6 Ca -0.00 -0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1tl6 h ASP 6 Cb 0.18 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1tl6 h ASP 6 CO 0.00 0.46 -0.44 0.74 -1.61 0.00 0.00 179.24 178.40 1tl6 h THR 7 N 0.21 0.12 -0.37 2.25 2.02 -0.67 -3.18 112.91 113.29 1tl6 h THR 7 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1tl6 h THR 7 Cb 0.52 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1tl6 h THR 7 CO 0.04 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 176.46 1tl6 h VAL 8 N -1.01 1.27 -0.75 3.16 2.07 -0.71 -2.41 116.25 117.87 1tl6 h VAL 8 Ca -0.07 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1tl6 h VAL 8 Cb 0.84 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1tl6 h VAL 8 CO 0.04 0.36 0.33 0.08 0.02 0.00 0.00 177.57 178.40 1tl6 h ARG 9 N 0.49 1.09 -0.15 1.57 0.11 -0.35 -1.14 114.38 116.01 1tl6 h ARG 9 Ca 0.10 -0.17 0.03 0.00 0.10 0.00 0.00 59.98 60.04 1tl6 h ARG 9 Cb 0.54 -0.19 -0.07 0.00 1.11 0.00 0.00 29.97 31.36 1tl6 h ARG 9 CO 0.03 0.86 -0.53 1.49 0.10 0.00 0.00 179.97 181.92 1tl6 h GLU 10 N 1.08 -0.54 -0.26 0.08 4.81 -1.56 -2.36 114.58 115.83 1tl6 h GLU 10 Ca 0.26 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.59 1tl6 h GLU 10 Cb 0.15 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.58 1tl6 h GLU 10 CO -0.03 -0.36 -0.31 0.82 -0.73 0.00 0.00 179.01 178.41 1tl6 h ILE 11 N -0.56 0.29 -0.58 2.32 2.04 -0.84 -2.61 117.51 117.56 1tl6 h ILE 11 Ca 0.04 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 1tl6 h ILE 11 Cb 0.67 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1tl6 h ILE 11 CO -0.44 0.00 -0.04 0.40 0.00 0.00 0.00 178.15 178.06 1tl6 h ILE 12 N -0.31 1.27 0.13 -0.67 2.04 -1.30 -1.46 117.51 117.22 1tl6 h ILE 12 Ca 0.14 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1tl6 h ILE 12 Cb 0.52 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1tl6 h ILE 12 CO -0.44 0.43 -0.06 0.74 0.00 0.00 0.00 178.15 178.82 1tl6 h THR 13 N 0.95 1.03 -0.40 -0.27 2.02 -1.23 0.17 112.91 115.18 1tl6 h THR 13 Ca 0.16 -0.72 0.08 0.00 0.77 0.00 0.00 66.41 66.70 1tl6 h THR 13 Cb 0.61 1.48 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 1tl6 h THR 13 CO 0.04 0.17 -0.12 0.58 0.37 0.00 0.00 175.52 176.56 1tl6 h VAL 14 N -0.52 0.55 0.21 3.16 2.07 -1.50 -0.37 116.25 119.86 1tl6 h VAL 14 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1tl6 h VAL 14 Cb 0.41 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1tl6 h VAL 14 CO 0.03 0.00 -0.42 0.00 0.02 0.00 0.00 177.57 177.20 1tl6 h ALA 15 N 1.34 -0.80 -0.69 1.67 0.00 -1.19 -1.58 119.26 118.02 1tl6 h ALA 15 Ca 0.19 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1tl6 h ALA 15 Cb 0.33 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1tl6 h ALA 15 CO -0.43 -1.01 0.30 1.03 0.00 0.00 0.00 179.25 179.15 1tl6 h SER 16 N -0.71 0.35 0.29 0.00 0.87 -0.49 0.21 113.55 114.07 1tl6 h SER 16 Ca 0.00 0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 1tl6 h SER 16 Cb 0.70 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1tl6 h SER 16 CO -0.19 0.19 -0.68 0.40 -0.53 0.00 0.00 176.83 176.02 1tl6 h ILE 17 N 0.50 1.38 -0.25 2.23 2.04 -0.98 -0.55 117.51 121.89 1tl6 h ILE 17 Ca 0.35 -2.08 -0.11 0.00 1.00 0.00 0.00 64.86 64.02 1tl6 h ILE 17 Cb 0.43 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1tl6 h ILE 17 CO -0.31 0.62 -0.27 0.25 0.00 0.00 0.00 178.15 178.44 1tl6 h LEU 18 N 0.25 0.68 -0.53 1.44 7.12 -0.51 -3.24 115.31 120.52 1tl6 h LEU 18 Ca -0.02 -0.48 -0.12 0.00 0.13 0.00 0.00 57.88 57.39 1tl6 h LEU 18 Cb 1.23 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 1tl6 h LEU 18 CO 0.11 1.02 -0.57 0.16 -0.13 0.00 0.00 178.44 179.04 1tl6 h ILE 19 N 0.35 1.15 0.27 4.05 3.07 -0.56 -1.23 117.51 124.61 1tl6 h ILE 19 Ca 0.04 -2.15 -0.01 0.00 1.55 0.00 0.00 64.86 64.29 1tl6 h ILE 19 Cb 0.84 2.25 0.00 0.00 -0.27 0.00 0.00 36.82 39.64 1tl6 h ILE 19 CO 0.07 0.56 -0.13 0.11 -1.05 0.00 0.00 178.15 177.70 1tl6 h LYS 20 N 0.00 -0.35 -0.57 0.16 1.79 -1.12 -3.37 116.57 113.11 1tl6 h LYS 20 Ca -0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1tl6 h LYS 20 Cb 1.20 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1tl6 h LYS 20 CO 0.07 -0.24 0.00 1.19 -1.08 0.00 0.00 179.45 179.40 1tl6 n PHE 21 N -3.97 1.75 0.00 -1.35 3.72 -1.23 -4.79 117.46 111.60 1tl6 n PHE 21 Ca -0.05 -0.70 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 1tl6 n PHE 21 Cb 0.14 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tl6 n SER 22 N 0.70 0.00 -3.40 4.37 2.88 -0.92 -5.07 113.62 112.17 1tl6 n SER 22 Ca 0.26 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.65 1tl6 n SER 22 Cb 1.06 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.42 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 -0.49 0.30 0.00 -1.46 6.06 -0.51 -4.96 118.95 117.89 1tl6 s ARG 23 Ca 0.00 0.12 0.28 0.00 -2.50 0.00 0.00 55.73 53.62 1tl6 s ARG 23 Cb 0.00 -0.73 0.98 0.00 0.06 0.00 0.00 34.95 35.26 1tl6 s ARG 23 CO 0.00 -0.85 1.73 0.39 -2.50 0.00 0.00 175.30 174.07 1tl6 n GLU 24 N 5.33 0.23 0.00 5.12 4.71 -1.26 -3.57 120.64 131.20 1tl6 n GLU 24 Ca -0.03 -0.08 0.04 0.00 -0.01 0.00 0.00 57.16 57.08 1tl6 n GLU 24 Cb 0.48 -1.50 0.24 0.00 -1.01 0.00 0.00 31.44 29.65 1tl6 n GLU 24 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1tl6 n ASP 25 N -1.31 0.00 0.01 1.62 2.03 -1.26 -1.34 116.55 116.30 1tl6 n ASP 25 Ca 0.09 0.03 0.11 0.00 0.52 0.00 0.00 54.79 55.54 1tl6 n ASP 25 Cb 0.32 -0.20 -0.14 0.00 -0.72 0.00 0.00 41.12 40.38 1tl6 n ASP 25 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1tl6 n ILE 26 N -1.20 0.10 0.04 5.18 5.41 -1.23 -4.50 119.36 123.16 1tl6 n ILE 26 Ca 0.05 -0.48 0.04 0.00 1.00 0.00 0.00 62.75 63.36 1tl6 n ILE 26 Cb 0.06 -0.01 -0.07 0.00 -0.71 0.00 0.00 39.64 38.90 1tl6 n ILE 26 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1tl6 n VAL 27 N -2.29 0.88 -0.30 1.39 3.14 -0.45 -2.35 118.33 118.34 1tl6 n VAL 27 Ca -0.03 -0.63 0.13 0.00 -2.96 0.00 0.00 64.34 60.85 1tl6 n VAL 27 Cb 0.56 -0.51 0.30 0.00 -1.06 0.00 0.00 33.84 33.12 1tl6 n VAL 27 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 1tl6 h GLU 28 N 0.00 0.29 -4.63 1.45 -0.00 -1.76 -3.07 114.58 106.86 1tl6 h GLU 28 Ca -0.11 -0.02 -0.66 0.00 -0.00 0.00 0.00 59.36 58.57 1tl6 h GLU 28 Cb 1.36 -0.07 -0.40 0.00 -0.00 0.00 0.00 28.75 29.65 1tl6 h GLU 28 CO 0.02 0.19 -0.73 -0.80 -0.00 0.00 0.00 179.01 177.70 1tl6 s ASN 29 N -5.13 4.71 0.36 3.06 0.01 -1.26 -5.04 114.94 111.65 1tl6 s ASN 29 Ca -0.12 -2.09 0.27 0.00 -0.71 0.00 0.00 52.86 50.21 1tl6 s ASN 29 Cb 0.25 -1.58 1.19 0.00 0.41 0.00 0.00 41.25 41.52 1tl6 s ASN 29 CO 0.77 -0.37 1.81 0.08 -1.51 0.00 0.00 177.10 177.88 1tl6 h ARG 30 N 7.65 0.00 0.00 -0.60 0.11 -1.80 -1.66 114.38 118.08 1tl6 h ARG 30 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1tl6 h ARG 30 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1tl6 h ARG 30 CO 0.51 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.58 1tl6 n ALA 31 N -1.87 1.41 0.04 0.08 0.00 -1.26 -1.92 120.51 116.99 1tl6 n ALA 31 Ca 0.01 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1tl6 n ALA 31 Cb 0.21 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.35 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 0.52 0.02 0.00 2.35 -1.50 -1.41 115.58 115.56 1tl6 h ASN 32 Ca 0.00 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1tl6 h ASN 32 Cb 0.22 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1tl6 h ASN 32 CO 0.00 1.02 -0.01 2.19 -1.65 0.00 0.00 177.43 178.98 1tl6 h PHE 33 N 0.33 -0.03 -0.55 1.19 -5.15 -0.99 -2.44 116.94 109.30 1tl6 h PHE 33 Ca -0.01 -0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.87 1tl6 h PHE 33 Cb 1.19 0.01 -0.09 0.00 0.22 0.00 0.00 35.95 37.28 1tl6 h PHE 33 CO 0.04 0.41 -0.01 0.82 -2.00 0.00 0.00 178.31 177.58 1tl6 h ILE 34 N -0.47 0.55 0.00 0.88 2.04 -1.58 -1.93 117.51 117.00 1tl6 h ILE 34 Ca -0.00 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1tl6 h ILE 34 Cb 0.45 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1tl6 h ILE 34 CO 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 178.15 178.03 1tl6 h ALA 35 N 1.50 1.24 0.01 1.87 0.00 -1.17 -1.34 119.26 121.37 1tl6 h ALA 35 Ca 0.28 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1tl6 h ALA 35 Cb 0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1tl6 h ALA 35 CO -0.48 0.18 -0.92 0.35 0.00 0.00 0.00 179.25 178.39 1tl6 h PHE 36 N 0.00 0.14 0.00 0.00 3.04 -0.85 -2.42 116.94 116.85 1tl6 h PHE 36 Ca -0.00 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.87 1tl6 h PHE 36 Cb 0.42 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1tl6 h PHE 36 CO 0.00 0.95 0.00 1.28 -2.02 0.00 0.00 178.31 178.52 1tl6 n LEU 37 N -3.54 0.34 0.11 0.59 4.77 -0.68 -2.01 117.00 116.59 1tl6 n LEU 37 Ca -0.02 0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 56.49 1tl6 n LEU 37 Cb 0.85 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 41.55 1tl6 n LEU 37 CO 0.47 -0.32 0.44 0.78 -1.33 0.00 0.00 177.39 177.43 1tl6 h ASN 38 N 0.00 0.12 -0.45 -1.43 -0.26 -0.76 -1.55 115.58 111.25 1tl6 h ASN 38 Ca 0.00 -0.07 0.06 0.00 -0.56 0.00 0.00 56.30 55.73 1tl6 h ASN 38 Cb 0.38 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.55 1tl6 h ASN 38 CO 0.00 0.74 0.13 -0.08 -1.06 0.00 0.00 177.43 177.16 1tl6 h GLU 39 N 0.07 0.28 -0.70 0.81 4.81 -1.35 -2.62 114.58 115.88 1tl6 h GLU 39 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1tl6 h GLU 39 Cb 1.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1tl6 h GLU 39 CO 0.09 0.18 0.35 0.82 -0.73 0.00 0.00 179.01 179.72 1tl6 h ILE 40 N 0.28 1.22 -0.51 2.32 2.04 -1.51 -3.47 117.51 117.88 1tl6 h ILE 40 Ca 0.22 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tl6 h ILE 40 Cb 0.24 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1tl6 h ILE 40 CO -0.25 0.26 0.00 0.61 0.00 0.00 0.00 178.15 178.77 1tl6 n GLY 41 N -1.13 0.90 3.75 5.37 0.00 -0.63 -5.06 105.19 108.39 1tl6 n GLY 41 Ca 0.07 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1tl6 n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tl6 s VAL 42 N -2.35 3.01 0.46 1.61 -7.23 -0.93 -4.97 120.40 110.02 1tl6 s VAL 42 Ca 0.00 0.89 0.06 0.00 -1.81 0.00 0.00 61.98 61.12 1tl6 s VAL 42 Cb 0.00 -3.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.35 1tl6 s VAL 42 CO 0.00 0.16 0.20 0.42 -0.31 0.00 0.00 175.10 175.57 1tl6 s THR 43 N -0.33 1.91 0.00 5.32 -4.23 -1.26 -3.37 115.64 113.68 1tl6 s THR 43 Ca 0.54 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1tl6 s THR 43 Cb -0.38 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1tl6 s THR 43 CO 0.43 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.51 1tl6 n HIS 44 N -1.37 0.00 -2.75 3.99 1.44 -1.00 -4.86 115.22 110.67 1tl6 n HIS 44 Ca -0.05 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.23 1tl6 n HIS 44 Cb 0.65 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.74 1tl6 n HIS 44 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1tl6 s GLU 45 N 2.92 3.74 0.00 -1.40 2.12 -1.26 -4.42 118.70 120.41 1tl6 s GLU 45 Ca 0.00 -1.73 0.00 0.00 0.36 0.00 0.00 54.97 53.60 1tl6 s GLU 45 Cb 0.00 -5.19 0.00 0.00 0.26 0.00 0.00 34.13 29.20 1tl6 s GLU 45 CO 0.00 -2.00 0.00 0.41 -0.54 0.00 0.00 175.26 173.13 1tl6 n GLY 46 N 5.71 0.11 3.25 -1.50 0.00 -1.26 -4.88 105.19 106.61 1tl6 n GLY 46 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.30 1.44 0.62 1.61 0.52 -1.26 -5.17 118.95 115.41 1tl6 s ARG 47 Ca 0.00 -1.78 0.03 0.00 -0.52 0.00 0.00 55.73 53.46 1tl6 s ARG 47 Cb 0.00 0.30 0.09 0.00 0.52 0.00 0.00 34.95 35.86 1tl6 s ARG 47 CO 0.00 -0.51 0.86 0.15 0.02 0.00 0.00 175.30 175.82 1tl6 s LYS 48 N -3.85 2.12 -0.21 3.54 3.01 -1.26 -2.37 119.74 120.71 1tl6 s LYS 48 Ca 0.39 -1.18 -0.16 0.00 -1.01 0.00 0.00 55.97 54.01 1tl6 s LYS 48 Cb 0.05 -2.48 -0.04 0.00 -1.01 0.00 0.00 37.83 34.35 1tl6 s LYS 48 CO 0.18 -1.04 0.43 -1.17 0.51 0.00 0.00 175.35 174.26 1tl6 s LEU 49 N -4.88 4.13 0.21 3.17 2.96 -1.22 -4.82 118.68 118.24 1tl6 s LEU 49 Ca 0.62 0.53 0.06 0.00 -0.22 0.00 0.00 54.13 55.12 1tl6 s LEU 49 Cb -0.07 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1tl6 s LEU 49 CO 0.41 -0.13 0.18 0.20 -1.32 0.00 0.00 176.35 175.69 1tl6 s ASN 50 N 1.16 5.57 -0.05 3.68 0.01 -1.26 -4.80 114.94 119.25 1tl6 s ASN 50 Ca 0.20 -0.17 0.18 0.00 -0.71 0.00 0.00 52.86 52.36 1tl6 s ASN 50 Cb -0.15 -1.45 -0.22 0.00 0.41 0.00 0.00 41.25 39.84 1tl6 s ASN 50 CO 0.09 0.01 0.50 0.00 -1.51 0.00 0.00 177.10 176.18 1tl6 n GLN 51 N -0.79 0.65 0.23 -0.60 0.00 -1.26 -3.70 117.38 111.91 1tl6 n GLN 51 Ca -0.08 0.05 0.13 0.00 0.00 0.00 0.00 57.00 57.10 1tl6 n GLN 51 Cb 0.56 -1.65 0.26 0.00 0.00 0.00 0.00 30.24 29.41 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 0.00 2.61 2.35 -2.04 -3.12 115.58 115.38 1tl6 h ASN 52 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1tl6 h ASN 52 Cb 1.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.05 1tl6 h ASN 52 CO 0.03 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.61 1tl6 n SER 53 N -3.10 0.00 0.12 5.81 7.64 -1.24 -1.86 113.62 120.99 1tl6 n SER 53 Ca 0.03 -1.16 0.12 0.00 1.01 0.00 0.00 58.87 58.87 1tl6 n SER 53 Cb 0.49 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 64.17 1tl6 n SER 53 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1tl6 n PHE 54 N -0.53 0.76 -0.10 1.43 3.01 -1.18 -2.04 117.46 118.81 1tl6 n PHE 54 Ca 0.01 0.29 -0.09 0.00 1.01 0.00 0.00 57.45 58.67 1tl6 n PHE 54 Cb 0.00 -0.97 -0.01 0.00 -0.01 0.00 0.00 39.48 38.49 1tl6 n PHE 54 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1tl6 h ARG 55 N 0.00 0.44 -0.46 -1.08 2.43 -1.65 -2.62 114.38 111.44 1tl6 h ARG 55 Ca 0.00 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1tl6 h ARG 55 Cb 0.38 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1tl6 h ARG 55 CO 0.00 0.32 0.31 0.87 -1.51 0.00 0.00 179.97 179.96 1tl6 h LYS 56 N 0.43 0.21 0.65 0.20 1.79 -1.64 0.15 116.57 118.36 1tl6 h LYS 56 Ca 0.12 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1tl6 h LYS 56 Cb -0.01 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1tl6 h LYS 56 CO -0.02 0.14 -0.31 0.82 -1.08 0.00 0.00 179.45 179.00 1tl6 h ILE 57 N 0.22 0.07 0.00 1.86 1.08 -1.30 -3.31 117.51 116.13 1tl6 h ILE 57 Ca 0.21 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1tl6 h ILE 57 Cb 0.55 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1tl6 h ILE 57 CO -0.04 0.01 -0.19 0.55 -0.69 0.00 0.00 178.15 177.79 1tl6 n VAL 58 N -5.36 0.14 -0.31 1.67 3.14 -1.03 -1.66 118.33 114.93 1tl6 n VAL 58 Ca -0.11 -0.08 0.18 0.00 -2.96 0.00 0.00 64.34 61.37 1tl6 n VAL 58 Cb 0.35 -0.29 0.45 0.00 -1.06 0.00 0.00 33.84 33.29 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 0.55 0.07 6.55 0.87 -0.80 -3.33 113.55 117.46 1tl6 h SER 59 Ca 0.00 0.07 -0.37 0.00 -1.23 0.00 0.00 61.79 60.26 1tl6 h SER 59 Cb 0.57 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 1tl6 h SER 59 CO 0.00 0.17 -2.30 -0.62 -0.53 0.00 0.00 176.83 173.55 1tl6 n GLU 60 N -4.64 0.68 -2.81 2.24 -0.58 -0.67 -4.86 120.64 110.01 1tl6 n GLU 60 Ca 0.23 0.14 -0.43 0.00 -0.42 0.00 0.00 57.16 56.67 1tl6 n GLU 60 Cb 0.72 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.97 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 -6.27 3.99 0.00 -4.62 1.43 -1.05 -4.99 118.68 107.17 1tl6 s LEU 61 Ca -0.23 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1tl6 s LEU 61 Cb 0.08 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1tl6 s LEU 61 CO 0.71 -1.07 0.00 0.35 0.23 0.00 0.00 176.35 176.57 1tl6 n THR 62 N 6.44 0.00 0.29 5.49 -2.24 -1.26 -4.89 114.28 118.10 1tl6 n THR 62 Ca 0.06 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.01 1tl6 n THR 62 Cb 0.48 -0.46 0.86 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.00 -1.00 -0.78 4.20 -2.01 -2.56 115.11 112.96 1tl6 h GLN 63 Ca 0.00 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 1tl6 h GLN 63 Cb 0.00 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 1tl6 h GLN 63 CO 0.00 0.05 0.62 0.93 -0.67 0.00 0.00 178.83 179.75 1tl6 h GLU 64 N 0.00 0.63 -0.16 1.46 3.07 -1.96 -2.24 114.58 115.38 1tl6 h GLU 64 Ca -0.00 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1tl6 h GLU 64 Cb 0.30 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1tl6 h GLU 64 CO 0.01 0.42 -0.05 0.22 -1.40 0.00 0.00 179.01 178.20 1tl6 h ASP 65 N 0.65 0.33 -0.09 1.42 3.58 -1.83 -2.84 116.42 117.65 1tl6 h ASP 65 Ca 0.59 -0.38 0.04 0.00 0.42 0.00 0.00 57.03 57.69 1tl6 h ASP 65 Cb 1.06 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.96 1tl6 h ASP 65 CO -0.37 0.64 -0.43 0.11 -2.88 0.00 0.00 179.24 176.30 1tl6 h LYS 66 N 0.02 -0.51 -0.35 0.28 1.79 -1.52 -1.18 116.57 115.10 1tl6 h LYS 66 Ca 0.04 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1tl6 h LYS 66 Cb 0.50 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.23 1tl6 h LYS 66 CO 0.02 -0.34 0.11 -0.22 -1.08 0.00 0.00 179.45 177.94 1tl6 h LYS 67 N -0.53 0.25 -0.33 3.15 1.63 -1.43 -1.30 116.57 118.01 1tl6 h LYS 67 Ca 0.06 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 1tl6 h LYS 67 Cb 0.64 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1tl6 h LYS 67 CO -0.38 0.16 -0.10 1.15 -3.45 0.00 0.00 179.45 176.84 1tl6 h THR 68 N 0.26 1.28 0.00 1.00 2.02 -1.33 -1.06 112.91 115.08 1tl6 h THR 68 Ca 0.16 -1.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.04 1tl6 h THR 68 Cb 0.15 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1tl6 h THR 68 CO -0.17 0.38 -1.32 -0.11 0.37 0.00 0.00 175.52 174.67 1tl6 n LEU 69 N -4.41 0.85 0.07 2.58 0.00 -0.46 -2.17 117.00 113.46 1tl6 n LEU 69 Ca -0.02 0.36 -0.13 0.00 0.00 0.00 0.00 56.01 56.22 1tl6 n LEU 69 Cb 0.35 0.04 -0.09 0.00 0.00 0.00 0.00 43.42 43.73 1tl6 n LEU 69 CO 0.42 0.06 0.60 0.40 0.00 0.00 0.00 177.39 178.87 1tl6 h ILE 70 N 0.00 1.00 -0.96 1.96 2.04 -1.19 0.17 117.51 120.53 1tl6 h ILE 70 Ca -0.12 -0.78 0.11 0.00 1.00 0.00 0.00 64.86 65.07 1tl6 h ILE 70 Cb 1.43 1.46 -0.13 0.00 -0.74 0.00 0.00 36.82 38.84 1tl6 h ILE 70 CO 0.03 0.18 -0.50 -0.78 0.00 0.00 0.00 178.15 177.08 1tl6 h ASP 71 N -0.58 -1.84 0.06 1.72 3.58 -1.28 -3.22 116.42 114.86 1tl6 h ASP 71 Ca -0.02 0.32 -0.31 0.00 0.42 0.00 0.00 57.03 57.44 1tl6 h ASP 71 Cb 0.45 0.86 -0.03 0.00 1.72 0.00 0.00 39.33 42.33 1tl6 h ASP 71 CO 0.03 -0.26 -1.70 -0.62 -2.88 0.00 0.00 179.24 173.81 1tl6 n GLU 72 N -5.35 0.66 -3.19 0.28 1.02 -0.92 -4.76 120.64 108.38 1tl6 n GLU 72 Ca 0.05 0.40 -0.23 0.00 -0.02 0.00 0.00 57.16 57.36 1tl6 n GLU 72 Cb 0.32 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 1tl6 n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tl6 n PHE 73 N -3.94 1.19 -0.01 -0.32 3.72 0.04 -4.91 117.46 113.23 1tl6 n PHE 73 Ca -0.33 -3.81 -0.02 0.00 -0.05 0.00 0.00 57.45 53.23 1tl6 n PHE 73 Cb 0.87 -0.43 0.24 0.00 -0.94 0.00 0.00 39.48 39.23 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 3.57 0.53 -1.02 4.37 -1.24 -1.54 -2.70 115.58 117.55 1tl6 h ASN 74 Ca 0.11 -0.13 0.25 0.00 0.71 0.00 0.00 56.30 57.24 1tl6 h ASN 74 Cb 0.81 -0.14 -0.09 0.00 0.73 0.00 0.00 38.32 39.63 1tl6 h ASN 74 CO 0.59 0.66 0.66 -0.33 -1.29 0.00 0.00 177.43 177.72 1tl6 h GLU 75 N 0.52 0.41 0.32 6.67 4.39 -1.90 0.11 114.58 125.09 1tl6 h GLU 75 Ca 0.10 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1tl6 h GLU 75 Cb 0.46 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1tl6 h GLU 75 CO 0.02 0.27 -0.15 0.78 -1.16 0.00 0.00 179.01 178.77 1tl6 h GLY 76 N 0.42 -0.45 0.94 -3.84 0.00 -1.85 -2.58 103.07 95.72 1tl6 h GLY 76 Ca 0.58 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 48.06 1tl6 h GLY 76 CO -0.29 -0.16 0.16 -2.75 0.00 0.00 0.00 176.54 173.50 1tl6 h PHE 77 N -0.62 0.50 -0.14 5.60 3.57 -1.45 -2.65 116.94 121.75 1tl6 h PHE 77 Ca -0.04 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1tl6 h PHE 77 Cb 0.45 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1tl6 h PHE 77 CO -0.01 0.43 0.07 1.49 -2.23 0.00 0.00 178.31 178.07 1tl6 h GLU 78 N 0.42 0.19 -0.27 1.11 4.22 -0.87 0.10 114.58 119.49 1tl6 h GLU 78 Ca 0.12 -0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.42 1tl6 h GLU 78 Cb 0.12 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1tl6 h GLU 78 CO -0.01 0.23 -0.26 0.78 -2.18 0.00 0.00 179.01 177.56 1tl6 h GLY 79 N 0.11 0.70 1.01 1.92 0.00 -1.53 -0.62 103.07 104.66 1tl6 h GLY 79 Ca 0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 1tl6 h GLY 79 CO -0.01 0.65 0.54 -0.24 0.00 0.00 0.00 176.54 177.48 1tl6 h VAL 80 N 0.37 1.24 -0.25 4.60 3.04 -1.42 0.10 116.25 123.93 1tl6 h VAL 80 Ca 0.04 -0.49 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1tl6 h VAL 80 Cb 0.82 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.09 1tl6 h VAL 80 CO 0.06 0.24 0.10 0.22 -1.01 0.00 0.00 177.57 177.19 1tl6 h TYR 81 N 1.19 0.38 -0.99 3.17 3.20 -0.75 0.28 116.97 123.45 1tl6 h TYR 81 Ca 0.31 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.17 1tl6 h TYR 81 Cb -0.08 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.03 1tl6 h TYR 81 CO -0.00 0.39 0.66 -0.09 -1.64 0.00 0.00 178.16 177.48 1tl6 h ARG 82 N 0.26 1.28 0.03 1.82 2.43 -0.59 0.14 114.38 119.76 1tl6 h ARG 82 Ca 0.09 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1tl6 h ARG 82 Cb 0.17 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1tl6 h ARG 82 CO -0.01 0.85 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.37 1tl6 h TYR 83 N 1.32 -0.04 -0.77 2.20 5.03 -0.77 -2.77 116.97 121.18 1tl6 h TYR 83 Ca 0.37 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.77 1tl6 h TYR 83 Cb -0.12 0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.11 1tl6 h TYR 83 CO -0.00 0.28 0.43 1.25 -1.32 0.00 0.00 178.16 178.79 1tl6 h LEU 84 N -0.36 0.60 -0.22 2.82 5.85 -0.57 0.29 115.31 123.72 1tl6 h LEU 84 Ca -0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1tl6 h LEU 84 Cb 0.33 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1tl6 h LEU 84 CO 0.01 0.35 0.09 -0.08 -0.34 0.00 0.00 178.44 178.46 1tl6 h GLU 85 N 0.73 0.19 0.35 1.25 4.81 -0.79 -3.24 114.58 117.88 1tl6 h GLU 85 Ca 0.37 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 1tl6 h GLU 85 Cb 0.33 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1tl6 h GLU 85 CO -0.24 0.12 -0.17 1.98 -0.73 0.00 0.00 179.01 179.98 1tl6 h MET 86 N 0.19 -0.45 0.00 1.92 4.05 -1.11 -3.43 114.93 116.10 1tl6 h MET 86 Ca 0.09 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1tl6 h MET 86 Cb 0.05 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1tl6 h MET 86 CO -0.09 -0.30 -0.00 1.88 0.23 0.00 0.00 176.91 178.63 1tl6 h TYR 87 N -0.86 -0.00 -1.70 1.39 0.05 -0.59 -3.50 116.97 111.76 1tl6 h TYR 87 Ca -0.05 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.78 1tl6 h TYR 87 Cb 0.36 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 37.85 1tl6 h TYR 87 CO 0.03 -0.00 0.33 -0.08 -1.05 0.00 0.00 178.16 177.39 1tl6 s THR 88 N -1.20 0.00 0.03 -2.88 -1.32 -1.22 -5.06 115.64 103.98 1tl6 s THR 88 Ca -0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1tl6 s THR 88 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1tl6 s THR 88 CO 0.00 0.00 0.75 0.20 -2.21 0.00 0.00 174.62 173.36 1tl6 s ASN 89 N 0.71 7.18 0.00 8.08 0.01 -1.26 -4.66 114.94 125.00 1tl6 s ASN 89 Ca -0.02 1.41 0.26 0.00 -0.71 0.00 0.00 52.86 53.80 1tl6 s ASN 89 Cb -0.05 -2.46 0.64 0.00 0.41 0.00 0.00 41.25 39.79 1tl6 s ASN 89 CO -0.09 0.00 1.51 2.29 -1.51 0.00 0.00 177.10 179.30