#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 2.61 0.32 3.52 -0.14 -1.26 -4.99 119.74 119.80 1tl6 s LYS 3 Ca 0.00 -1.41 0.26 0.00 -1.36 0.00 0.00 55.97 53.46 1tl6 s LYS 3 Cb 0.00 -2.40 1.02 0.00 -1.68 0.00 0.00 37.83 34.78 1tl6 s LYS 3 CO 0.00 0.01 1.78 -0.91 -0.76 0.00 0.00 175.35 175.46 1tl6 h ASN 4 N 1.23 0.00 0.07 2.83 2.35 -1.97 -1.01 115.58 119.08 1tl6 h ASN 4 Ca -0.44 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1tl6 h ASN 4 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1tl6 h ASN 4 CO 0.59 0.00 -0.03 0.40 -1.65 0.00 0.00 177.43 176.74 1tl6 h ILE 5 N 0.00 0.46 -0.73 2.81 2.04 -1.94 -1.68 117.51 118.47 1tl6 h ILE 5 Ca 0.00 -1.23 0.10 0.00 1.00 0.00 0.00 64.86 64.74 1tl6 h ILE 5 Cb 0.47 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 1tl6 h ILE 5 CO 0.00 0.15 0.35 -0.78 0.00 0.00 0.00 178.15 177.87 1tl6 h ASP 6 N -1.00 0.44 0.19 1.72 3.58 -1.95 0.83 116.42 120.23 1tl6 h ASP 6 Ca -0.01 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1tl6 h ASP 6 Cb 0.31 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1tl6 h ASP 6 CO 0.02 0.24 -0.27 0.74 -2.88 0.00 0.00 179.24 177.09 1tl6 h THR 7 N 0.58 0.00 0.00 2.25 2.02 -1.27 -2.86 112.91 113.63 1tl6 h THR 7 Ca 0.37 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.36 1tl6 h THR 7 Cb 0.43 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1tl6 h THR 7 CO -0.29 0.00 -0.95 0.58 0.37 0.00 0.00 175.52 175.23 1tl6 h VAL 8 N -0.48 1.40 0.00 3.16 2.07 -1.10 -3.10 116.25 118.20 1tl6 h VAL 8 Ca -0.02 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.47 1tl6 h VAL 8 Cb 0.43 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1tl6 h VAL 8 CO -0.07 0.80 0.00 -2.11 0.02 0.00 0.00 177.57 176.20 1tl6 n ARG 9 N -3.28 0.11 -0.03 1.57 1.85 0.27 -0.42 116.66 116.72 1tl6 n ARG 9 Ca -0.01 0.29 -0.15 0.00 -1.00 0.00 0.00 57.85 56.98 1tl6 n ARG 9 Cb 0.90 -1.68 -0.12 0.00 -1.05 0.00 0.00 32.46 30.51 1tl6 n ARG 9 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1tl6 h GLU 10 N 0.00 0.10 -0.75 2.89 4.81 -1.43 -3.05 114.58 117.15 1tl6 h GLU 10 Ca 0.00 -0.12 0.17 0.00 -0.13 0.00 0.00 59.36 59.28 1tl6 h GLU 10 Cb 0.38 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.67 1tl6 h GLU 10 CO 0.00 0.90 0.09 0.82 -0.73 0.00 0.00 179.01 180.08 1tl6 h ILE 11 N -0.64 0.40 0.15 2.32 2.04 -1.21 -0.20 117.51 120.38 1tl6 h ILE 11 Ca -0.02 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1tl6 h ILE 11 Cb 0.96 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1tl6 h ILE 11 CO 0.03 0.03 -0.36 0.40 0.00 0.00 0.00 178.15 178.25 1tl6 h ILE 12 N 0.17 0.25 0.70 -0.67 2.04 -0.85 -0.52 117.51 118.64 1tl6 h ILE 12 Ca 0.42 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.25 1tl6 h ILE 12 Cb 0.75 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1tl6 h ILE 12 CO -0.60 0.00 -0.34 0.74 0.00 0.00 0.00 178.15 177.95 1tl6 h THR 13 N -0.61 0.14 -1.00 -0.27 2.02 -1.34 -2.69 112.91 109.17 1tl6 h THR 13 Ca 0.02 -0.25 0.25 0.00 0.77 0.00 0.00 66.41 67.20 1tl6 h THR 13 Cb 0.62 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 67.14 1tl6 h THR 13 CO -0.19 0.02 0.66 -0.37 0.37 0.00 0.00 175.52 176.00 1tl6 h VAL 14 N -1.16 0.58 -0.04 3.16 -1.51 -1.07 0.27 116.25 116.48 1tl6 h VAL 14 Ca -0.10 -0.12 -0.17 0.00 -1.23 0.00 0.00 66.70 65.08 1tl6 h VAL 14 Cb 0.75 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1tl6 h VAL 14 CO 0.16 0.07 -0.72 0.00 -1.23 0.00 0.00 177.57 175.85 1tl6 h ALA 15 N 1.60 0.72 -0.12 5.19 0.00 -1.10 -2.61 119.26 122.93 1tl6 h ALA 15 Ca 0.54 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1tl6 h ALA 15 Cb 1.44 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1tl6 h ALA 15 CO -0.22 0.81 -0.83 0.66 0.00 0.00 0.00 179.25 179.67 1tl6 h SER 16 N 0.14 0.92 -0.69 0.00 4.64 -0.89 -2.43 113.55 115.24 1tl6 h SER 16 Ca -0.02 -0.63 0.11 0.00 -0.47 0.00 0.00 61.79 60.78 1tl6 h SER 16 Cb 1.27 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 63.00 1tl6 h SER 16 CO 0.11 1.43 0.28 0.40 -0.87 0.00 0.00 176.83 178.18 1tl6 h ILE 17 N 0.50 0.73 0.21 0.95 2.04 -0.49 -2.17 117.51 119.29 1tl6 h ILE 17 Ca -0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1tl6 h ILE 17 Cb 1.46 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1tl6 h ILE 17 CO 0.17 0.08 -0.10 0.25 0.00 0.00 0.00 178.15 178.55 1tl6 h LEU 18 N 0.46 -0.24 -0.44 1.44 7.12 -1.48 -3.38 115.31 118.78 1tl6 h LEU 18 Ca 0.36 -0.28 -0.10 0.00 0.13 0.00 0.00 57.88 57.99 1tl6 h LEU 18 Cb 0.48 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 1tl6 h LEU 18 CO -0.34 0.23 -0.12 0.16 -0.13 0.00 0.00 178.44 178.23 1tl6 h ILE 19 N -0.79 1.27 0.07 4.05 3.07 -1.21 -3.32 117.51 120.66 1tl6 h ILE 19 Ca -0.03 -1.24 0.01 0.00 1.55 0.00 0.00 64.86 65.15 1tl6 h ILE 19 Cb 0.51 1.16 -0.03 0.00 -0.27 0.00 0.00 36.82 38.19 1tl6 h ILE 19 CO 0.05 0.42 -0.34 0.11 -1.05 0.00 0.00 178.15 177.34 1tl6 h LYS 20 N 0.69 -0.46 -2.33 0.16 1.57 -1.58 -2.44 116.57 112.18 1tl6 h LYS 20 Ca 0.11 0.03 -0.64 0.00 -1.87 0.00 0.00 60.65 58.28 1tl6 h LYS 20 Cb 0.66 0.10 -0.39 0.00 0.08 0.00 0.00 32.23 32.69 1tl6 h LYS 20 CO 0.05 -0.31 -0.30 1.19 -0.57 0.00 0.00 179.45 179.51 1tl6 n PHE 21 N -4.37 3.43 0.00 -1.35 3.72 -1.26 -4.93 117.46 112.69 1tl6 n PHE 21 Ca -0.05 -3.81 0.00 0.00 -0.05 0.00 0.00 57.45 53.54 1tl6 n PHE 21 Cb 0.26 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 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 0.77 0.00 -4.18 4.37 2.88 -0.92 -5.10 113.62 111.44 1tl6 n SER 22 Ca 0.30 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.51 1tl6 n SER 22 Cb 0.39 0.00 -0.16 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 0.41 3.03 -0.02 -1.46 3.00 -1.25 -4.98 118.95 117.68 1tl6 s ARG 23 Ca 0.00 -0.85 0.16 0.00 0.00 0.00 0.00 55.73 55.04 1tl6 s ARG 23 Cb 0.00 -2.43 -0.19 0.00 0.00 0.00 0.00 34.95 32.32 1tl6 s ARG 23 CO 0.00 0.00 0.63 0.39 0.00 0.00 0.00 175.30 176.32 1tl6 n GLU 24 N 4.03 0.64 -0.23 3.54 4.71 -1.26 -4.33 120.64 127.73 1tl6 n GLU 24 Ca -0.20 0.17 0.01 0.00 -0.01 0.00 0.00 57.16 57.13 1tl6 n GLU 24 Cb 0.52 -1.74 0.08 0.00 -1.01 0.00 0.00 31.44 29.29 1tl6 n GLU 24 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1tl6 h ASP 25 N 0.00 -0.61 -0.42 1.62 3.58 -1.97 -2.56 116.42 116.06 1tl6 h ASP 25 Ca -0.25 0.20 0.06 0.00 0.42 0.00 0.00 57.03 57.46 1tl6 h ASP 25 Cb 1.76 0.42 -0.05 0.00 1.72 0.00 0.00 39.33 43.18 1tl6 h ASP 25 CO 0.05 -0.22 0.11 0.40 -2.88 0.00 0.00 179.24 176.70 1tl6 h ILE 26 N 0.01 0.82 0.00 2.25 2.04 -1.93 -2.33 117.51 118.38 1tl6 h ILE 26 Ca 0.33 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.10 1tl6 h ILE 26 Cb 0.51 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1tl6 h ILE 26 CO -0.70 0.05 0.00 1.62 0.00 0.00 0.00 178.15 179.12 1tl6 h VAL 27 N 0.26 0.00 -0.37 1.67 3.04 -1.72 -3.08 116.25 116.04 1tl6 h VAL 27 Ca 0.20 -0.23 -0.10 0.00 -1.01 0.00 0.00 66.70 65.56 1tl6 h VAL 27 Cb 0.22 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 1tl6 h VAL 27 CO -0.23 0.00 -0.19 -0.33 -1.01 0.00 0.00 177.57 175.80 1tl6 h GLU 28 N 0.00 0.71 -4.43 4.17 5.08 -1.25 -3.37 114.58 115.50 1tl6 h GLU 28 Ca 0.00 -0.26 -0.71 0.00 -1.00 0.00 0.00 59.36 57.38 1tl6 h GLU 28 Cb 0.29 -0.04 -0.30 0.00 0.50 0.00 0.00 28.75 29.20 1tl6 h GLU 28 CO 0.00 0.85 -0.47 1.21 -1.00 0.00 0.00 179.01 179.60 1tl6 s ASN 29 N -6.75 5.56 0.17 1.42 3.84 -1.17 -5.00 114.94 113.02 1tl6 s ASN 29 Ca -0.09 -1.70 -0.18 0.00 0.21 0.00 0.00 52.86 51.11 1tl6 s ASN 29 Cb 0.13 -1.96 0.11 0.00 -0.55 0.00 0.00 41.25 38.99 1tl6 s ASN 29 CO 0.82 -0.57 1.64 0.03 -2.79 0.00 0.00 177.10 176.23 1tl6 h ARG 30 N 8.34 -0.07 -0.96 0.43 3.08 -1.79 0.70 114.38 124.11 1tl6 h ARG 30 Ca -0.21 0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.14 1tl6 h ARG 30 Cb 1.07 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 30.97 1tl6 h ARG 30 CO 0.77 -0.05 0.17 0.00 -1.07 0.00 0.00 179.97 179.79 1tl6 h ALA 31 N 1.27 1.38 -0.28 0.04 0.00 -1.94 0.31 119.26 120.04 1tl6 h ALA 31 Ca 0.21 0.30 -0.14 0.00 0.00 0.00 0.00 54.91 55.28 1tl6 h ALA 31 Cb 0.39 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1tl6 h ALA 31 CO -0.48 -0.62 -0.39 -0.97 0.00 0.00 0.00 179.25 176.79 1tl6 h ASN 32 N 0.05 0.70 0.22 0.00 -1.24 -1.09 -2.94 115.58 111.28 1tl6 h ASN 32 Ca 0.63 -0.31 -0.23 0.00 0.71 0.00 0.00 56.30 57.11 1tl6 h ASN 32 Cb 1.39 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 40.25 1tl6 h ASN 32 CO -0.83 1.01 -0.91 0.15 -1.29 0.00 0.00 177.43 175.55 1tl6 h PHE 33 N 0.54 0.72 -0.84 0.67 3.57 -1.02 -3.06 116.94 117.51 1tl6 h PHE 33 Ca 0.05 -0.37 0.15 0.00 3.53 0.00 0.00 57.97 61.33 1tl6 h PHE 33 Cb 0.91 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.47 1tl6 h PHE 33 CO 0.04 1.19 0.42 0.82 -2.23 0.00 0.00 178.31 178.55 1tl6 h ILE 34 N 0.29 0.71 -0.46 1.41 2.04 -0.94 -0.79 117.51 119.76 1tl6 h ILE 34 Ca -0.08 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1tl6 h ILE 34 Cb 1.54 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1tl6 h ILE 34 CO 0.16 0.11 0.25 0.00 0.00 0.00 0.00 178.15 178.67 1tl6 h ALA 35 N 1.57 0.59 0.04 1.87 0.00 -1.42 -0.55 119.26 121.35 1tl6 h ALA 35 Ca 0.46 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1tl6 h ALA 35 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1tl6 h ALA 35 CO -0.38 -0.09 -0.11 0.74 0.00 0.00 0.00 179.25 179.42 1tl6 h PHE 36 N 0.50 -0.28 -0.10 0.00 -1.00 -1.43 -2.93 116.94 111.70 1tl6 h PHE 36 Ca 0.20 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.99 1tl6 h PHE 36 Cb 0.07 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1tl6 h PHE 36 CO -0.09 -0.17 0.02 -0.07 -1.61 0.00 0.00 178.31 176.39 1tl6 h LEU 37 N -0.21 0.00 -0.74 1.54 3.38 0.30 0.08 115.31 119.67 1tl6 h LEU 37 Ca 0.03 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.26 1tl6 h LEU 37 Cb 0.24 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.87 1tl6 h LEU 37 CO -0.08 0.02 0.18 0.59 0.09 0.00 0.00 178.44 179.24 1tl6 n ASN 38 N -5.09 0.06 -0.25 -0.43 5.03 -0.37 -1.46 115.26 112.76 1tl6 n ASN 38 Ca -0.05 1.25 -0.05 0.00 0.87 0.00 0.00 54.58 56.60 1tl6 n ASN 38 Cb 0.06 -0.52 0.06 0.00 -1.02 0.00 0.00 39.78 38.35 1tl6 n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1tl6 h GLU 39 N 0.00 0.94 -0.44 3.52 4.81 -0.77 -2.87 114.58 119.76 1tl6 h GLU 39 Ca 0.53 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.58 1tl6 h GLU 39 Cb 1.25 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1tl6 h GLU 39 CO -0.64 0.63 -0.16 0.82 -0.73 0.00 0.00 179.01 178.93 1tl6 h ILE 40 N 0.96 1.27 0.00 2.32 2.04 -1.18 -3.47 117.51 119.45 1tl6 h ILE 40 Ca 0.26 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1tl6 h ILE 40 Cb -0.09 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1tl6 h ILE 40 CO -0.05 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.14 1tl6 n GLY 41 N -0.30 1.80 3.54 5.37 0.00 -0.90 -5.10 105.19 109.61 1tl6 n GLY 41 Ca 0.01 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.38 0.25 -3.67 1.61 0.31 -1.16 -4.97 118.33 110.32 1tl6 n VAL 42 Ca 0.00 -0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.11 1tl6 n VAL 42 Cb 0.00 -1.43 -0.01 0.00 -0.91 0.00 0.00 33.84 31.50 1tl6 n VAL 42 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1tl6 n THR 43 N 6.07 0.00 0.00 2.52 -2.24 -1.26 -3.92 114.28 115.45 1tl6 n THR 43 Ca 0.36 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1tl6 n THR 43 Cb 0.18 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.29 0.00 -1.02 4.78 1.44 -0.84 -4.83 115.22 114.46 1tl6 n HIS 44 Ca -0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.40 1tl6 n HIS 44 Cb 0.31 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.38 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 2.83 -0.96 -1.40 1.02 -1.26 -4.51 120.64 116.36 1tl6 n GLU 45 Ca 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 1tl6 n GLU 45 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 28.85 1tl6 n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tl6 n GLY 46 N 3.58 0.73 3.28 0.62 0.00 -1.26 -4.94 105.19 107.19 1tl6 n GLY 46 Ca 0.60 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.17 1.13 1.00 1.61 0.52 -1.26 -5.16 118.95 116.62 1tl6 s ARG 47 Ca 0.00 -1.36 -0.17 0.00 -0.52 0.00 0.00 55.73 53.68 1tl6 s ARG 47 Cb 0.00 -0.98 -0.05 0.00 0.52 0.00 0.00 34.95 34.45 1tl6 s ARG 47 CO 0.00 0.18 -0.36 1.63 0.02 0.00 0.00 175.30 176.77 1tl6 n LYS 48 N 0.23 -0.39 -2.85 3.54 4.76 -1.26 -1.98 118.16 120.21 1tl6 n LYS 48 Ca -0.13 -0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 54.79 1tl6 n LYS 48 Cb 0.58 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 32.31 1tl6 n LYS 48 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1tl6 s LEU 49 N 3.20 4.03 0.00 -0.35 2.96 -1.25 -4.41 118.68 122.85 1tl6 s LEU 49 Ca 0.48 0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 54.78 1tl6 s LEU 49 Cb -0.14 -3.19 0.05 0.00 0.50 0.00 0.00 46.19 43.42 1tl6 s LEU 49 CO 0.72 -0.88 0.35 0.59 -1.32 0.00 0.00 176.35 175.81 1tl6 n ASN 50 N 6.79 0.38 -0.01 3.68 5.03 -1.26 -4.90 115.26 124.97 1tl6 n ASN 50 Ca 0.06 -1.34 -0.17 0.00 0.87 0.00 0.00 54.58 53.99 1tl6 n ASN 50 Cb 0.48 -0.23 -0.14 0.00 -1.02 0.00 0.00 39.78 38.87 1tl6 n ASN 50 CO 0.00 0.00 0.00 0.06 -1.83 0.00 0.00 177.26 175.49 1tl6 h GLN 51 N 0.00 0.15 -0.21 3.52 -0.00 -1.98 -3.41 115.11 113.17 1tl6 h GLN 51 Ca -0.11 -0.26 -0.09 0.00 -0.00 0.00 0.00 58.65 58.19 1tl6 h GLN 51 Cb 0.40 0.10 -0.00 0.00 -0.00 0.00 0.00 27.48 27.97 1tl6 h GLN 51 CO 0.11 1.12 -0.21 -2.95 -0.00 0.00 0.00 178.83 176.90 1tl6 h ASN 52 N -0.68 0.55 -1.36 0.06 7.08 -2.02 -3.24 115.58 115.97 1tl6 h ASN 52 Ca -0.07 -0.48 0.44 0.00 -3.08 0.00 0.00 56.30 53.11 1tl6 h ASN 52 Cb 1.33 -0.16 -0.11 0.00 -2.08 0.00 0.00 38.32 37.30 1tl6 h ASN 52 CO 0.08 0.92 0.91 -1.54 -2.08 0.00 0.00 177.43 175.71 1tl6 n SER 53 N -4.42 0.14 0.15 6.14 3.41 -1.26 -1.69 113.62 116.09 1tl6 n SER 53 Ca -0.05 1.13 0.10 0.00 -0.26 0.00 0.00 58.87 59.80 1tl6 n SER 53 Cb 0.42 -0.56 0.56 0.00 -0.26 0.00 0.00 64.21 64.37 1tl6 n SER 53 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1tl6 n PHE 54 N -4.26 0.70 0.07 7.33 -0.00 -1.22 0.08 117.46 120.15 1tl6 n PHE 54 Ca 0.37 0.36 -0.06 0.00 -0.00 0.00 0.00 57.45 58.12 1tl6 n PHE 54 Cb 1.49 -1.08 0.10 0.00 -0.00 0.00 0.00 39.48 39.99 1tl6 n PHE 54 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1tl6 h ARG 55 N 0.00 0.28 -0.70 -4.13 2.43 -1.60 -2.87 114.38 107.80 1tl6 h ARG 55 Ca 0.00 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 1tl6 h ARG 55 Cb 0.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1tl6 h ARG 55 CO 0.00 0.81 0.18 0.87 -1.51 0.00 0.00 179.97 180.32 1tl6 h LYS 56 N 0.21 1.11 0.02 0.20 1.79 -0.58 -0.27 116.57 119.05 1tl6 h LYS 56 Ca -0.01 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1tl6 h LYS 56 Cb 1.13 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1tl6 h LYS 56 CO 0.10 0.98 -0.02 0.82 -1.08 0.00 0.00 179.45 180.25 1tl6 h ILE 57 N 1.05 0.00 -0.86 1.86 2.04 -1.55 -2.75 117.51 117.31 1tl6 h ILE 57 Ca 0.22 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.41 1tl6 h ILE 57 Cb 0.35 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.28 1tl6 h ILE 57 CO -0.00 0.00 0.36 0.55 0.00 0.00 0.00 178.15 179.06 1tl6 n VAL 58 N -2.34 -0.36 0.17 1.67 3.14 -1.08 -1.57 118.33 117.95 1tl6 n VAL 58 Ca -0.00 1.77 -0.14 0.00 -2.96 0.00 0.00 64.34 63.01 1tl6 n VAL 58 Cb 0.02 -2.81 -0.07 0.00 -1.06 0.00 0.00 33.84 29.92 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 -0.67 0.00 6.55 0.87 -0.94 -3.10 113.55 116.25 1tl6 h SER 59 Ca 0.68 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 1tl6 h SER 59 Cb 1.72 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1tl6 h SER 59 CO -0.69 -0.37 0.00 -0.62 -0.53 0.00 0.00 176.83 174.62 1tl6 n GLU 60 N -5.37 1.00 -3.18 2.24 1.02 -0.61 -4.79 120.64 110.94 1tl6 n GLU 60 Ca -0.09 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.64 1tl6 n GLU 60 Cb 0.28 -1.23 -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 -1.47 4.27 0.75 -4.62 1.43 -1.05 -5.02 118.68 112.97 1tl6 s LEU 61 Ca 0.23 0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 1tl6 s LEU 61 Cb 0.10 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.69 1tl6 s LEU 61 CO 0.17 -0.51 1.10 0.42 0.23 0.00 0.00 176.35 177.76 1tl6 s THR 62 N 2.53 2.46 0.37 5.49 -4.23 -1.26 -4.85 115.64 116.15 1tl6 s THR 62 Ca 0.22 0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.78 1tl6 s THR 62 Cb -0.15 -3.12 0.25 0.00 1.34 0.00 0.00 72.50 70.82 1tl6 s THR 62 CO 0.13 -0.14 2.01 -0.61 -0.54 0.00 0.00 174.62 175.47 1tl6 h GLN 63 N -0.79 0.67 0.06 3.99 4.15 -1.98 0.11 115.11 121.32 1tl6 h GLN 63 Ca -0.45 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 1tl6 h GLN 63 Cb 1.31 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1tl6 h GLN 63 CO 0.64 0.48 -0.03 0.93 -1.93 0.00 0.00 178.83 178.91 1tl6 h GLU 64 N 0.69 -0.08 -0.13 1.69 3.07 -1.98 0.52 114.58 118.36 1tl6 h GLU 64 Ca 0.18 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.09 1tl6 h GLU 64 Cb -0.02 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.86 1tl6 h GLU 64 CO -0.03 0.12 -0.14 -0.44 -1.40 0.00 0.00 179.01 177.12 1tl6 h ASP 65 N -0.27 -0.44 0.08 1.42 3.32 -1.82 -0.33 116.42 118.37 1tl6 h ASP 65 Ca -0.01 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1tl6 h ASP 65 Cb 0.23 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1tl6 h ASP 65 CO 0.01 -0.19 -0.26 0.50 -1.72 0.00 0.00 179.24 177.59 1tl6 h LYS 66 N -0.17 -0.42 -0.50 3.56 1.63 -0.70 -0.71 116.57 119.25 1tl6 h LYS 66 Ca 0.09 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1tl6 h LYS 66 Cb 0.31 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1tl6 h LYS 66 CO -0.23 -0.28 0.07 -0.22 -3.45 0.00 0.00 179.45 175.34 1tl6 h LYS 67 N -0.44 0.83 0.00 1.90 1.63 -0.82 -2.73 116.57 116.95 1tl6 h LYS 67 Ca 0.04 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 1tl6 h LYS 67 Cb 0.48 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1tl6 h LYS 67 CO -0.18 0.83 -0.06 1.15 -3.45 0.00 0.00 179.45 177.75 1tl6 h THR 68 N 0.71 0.11 0.04 1.00 2.02 -0.84 -1.29 112.91 114.65 1tl6 h THR 68 Ca 0.15 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1tl6 h THR 68 Cb 0.41 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1tl6 h THR 68 CO 0.01 0.06 -0.02 0.25 0.37 0.00 0.00 175.52 176.19 1tl6 h LEU 69 N 0.00 -0.04 -0.04 2.58 6.46 -0.96 -3.26 115.31 120.05 1tl6 h LEU 69 Ca -0.00 -0.65 0.00 0.00 -0.12 0.00 0.00 57.88 57.11 1tl6 h LEU 69 Cb 0.86 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1tl6 h LEU 69 CO 0.01 0.72 0.00 -0.38 -0.62 0.00 0.00 178.44 178.17 1tl6 n ILE 70 N -4.74 0.33 -0.13 4.05 2.08 -1.04 -2.31 119.36 117.60 1tl6 n ILE 70 Ca -0.08 0.01 -0.12 0.00 0.56 0.00 0.00 62.75 63.13 1tl6 n ILE 70 Cb 0.34 -0.65 -0.00 0.00 -0.75 0.00 0.00 39.64 38.58 1tl6 n ILE 70 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1tl6 h ASP 71 N 0.00 0.99 0.04 4.38 3.58 -1.30 -3.23 116.42 120.89 1tl6 h ASP 71 Ca 0.00 -0.42 -0.07 0.00 0.42 0.00 0.00 57.03 56.96 1tl6 h ASP 71 Cb 0.48 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 41.27 1tl6 h ASP 71 CO 0.00 1.21 -0.31 -0.08 -2.88 0.00 0.00 179.24 177.18 1tl6 h GLU 72 N 0.79 0.14 -3.50 0.28 4.57 -1.50 -3.42 114.58 111.94 1tl6 h GLU 72 Ca 0.08 -0.20 -0.60 0.00 -1.18 0.00 0.00 59.36 57.46 1tl6 h GLU 72 Cb 0.89 0.07 -0.40 0.00 -0.16 0.00 0.00 28.75 29.15 1tl6 h GLU 72 CO 0.08 1.05 -0.75 -0.06 -1.18 0.00 0.00 179.01 178.15 1tl6 s PHE 73 N -2.55 2.05 0.05 0.92 0.08 -1.16 -4.91 117.98 112.45 1tl6 s PHE 73 Ca -0.16 -2.12 -0.16 0.00 0.12 0.00 0.00 56.93 54.61 1tl6 s PHE 73 Cb -0.01 -1.92 -0.25 0.00 -0.57 0.00 0.00 43.02 40.27 1tl6 s PHE 73 CO 0.75 -0.85 1.13 -0.91 -0.10 0.00 0.00 175.22 175.23 1tl6 h ASN 74 N 7.58 0.81 -0.94 1.36 2.35 -1.82 -3.35 115.58 121.56 1tl6 h ASN 74 Ca -0.08 -0.78 0.27 0.00 -0.55 0.00 0.00 56.30 55.16 1tl6 h ASN 74 Cb 0.99 -0.25 -0.14 0.00 0.05 0.00 0.00 38.32 38.97 1tl6 h ASN 74 CO 0.48 1.49 0.41 1.05 -1.65 0.00 0.00 177.43 179.21 1tl6 h GLU 75 N 0.22 0.30 -0.10 0.81 4.11 -1.91 -0.06 114.58 117.94 1tl6 h GLU 75 Ca -0.14 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.22 1tl6 h GLU 75 Cb 1.68 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 1tl6 h GLU 75 CO 0.19 0.20 -0.14 0.78 0.07 0.00 0.00 179.01 180.11 1tl6 h GLY 76 N 0.31 0.30 0.77 1.06 0.00 -1.98 -1.51 103.07 102.02 1tl6 h GLY 76 Ca 0.63 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1tl6 h GLY 76 CO -0.61 0.30 -0.01 -2.75 0.00 0.00 0.00 176.54 173.47 1tl6 h PHE 77 N -0.15 -0.02 0.00 5.60 3.57 -1.56 -1.36 116.94 123.02 1tl6 h PHE 77 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1tl6 h PHE 77 Cb 0.69 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1tl6 h PHE 77 CO 0.10 0.21 -0.15 0.93 -2.23 0.00 0.00 178.31 177.17 1tl6 h GLU 78 N -0.26 0.00 0.40 1.11 4.39 -1.13 0.90 114.58 119.99 1tl6 h GLU 78 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1tl6 h GLU 78 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1tl6 h GLU 78 CO 0.00 0.15 -0.19 0.78 -1.16 0.00 0.00 179.01 178.59 1tl6 h GLY 79 N 0.57 -0.56 0.98 -3.84 0.00 -0.98 -2.91 103.07 96.32 1tl6 h GLY 79 Ca -0.00 0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1tl6 h GLY 79 CO 0.02 -0.20 -0.23 -0.39 0.00 0.00 0.00 176.54 175.74 1tl6 h VAL 80 N -0.85 1.29 -0.39 4.60 -1.51 -1.02 -2.66 116.25 115.72 1tl6 h VAL 80 Ca -0.05 -1.37 0.03 0.00 -1.23 0.00 0.00 66.70 64.07 1tl6 h VAL 80 Cb 0.55 1.46 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 1tl6 h VAL 80 CO 0.09 0.45 0.19 0.22 -1.23 0.00 0.00 177.57 177.29 1tl6 h TYR 81 N 0.51 0.35 -0.02 5.19 3.20 -0.94 0.53 116.97 125.78 1tl6 h TYR 81 Ca 0.06 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.73 1tl6 h TYR 81 Cb 0.79 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1tl6 h TYR 81 CO 0.06 0.18 -0.89 0.00 -1.64 0.00 0.00 178.16 175.87 1tl6 h ARG 82 N 0.39 0.42 -0.10 1.82 3.08 -1.56 0.20 114.38 118.63 1tl6 h ARG 82 Ca 0.16 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1tl6 h ARG 82 Cb 0.07 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1tl6 h ARG 82 CO -0.12 1.08 0.03 -0.92 -1.07 0.00 0.00 179.97 178.98 1tl6 h TYR 83 N 0.25 0.16 0.00 3.04 5.03 -1.35 -2.96 116.97 121.14 1tl6 h TYR 83 Ca -0.07 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.14 1tl6 h TYR 83 Cb 1.52 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.74 1tl6 h TYR 83 CO 0.06 0.31 -0.42 -0.07 -1.32 0.00 0.00 178.16 176.72 1tl6 h LEU 84 N -0.03 0.00 -0.48 2.82 3.38 -0.88 0.09 115.31 120.21 1tl6 h LEU 84 Ca 0.03 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1tl6 h LEU 84 Cb 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 1tl6 h LEU 84 CO -0.00 0.42 -0.07 -0.08 0.09 0.00 0.00 178.44 178.80 1tl6 h GLU 85 N 0.00 0.04 -0.01 1.13 4.81 -0.91 -1.11 114.58 118.53 1tl6 h GLU 85 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1tl6 h GLU 85 Cb 0.91 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1tl6 h GLU 85 CO 0.05 0.03 -0.46 -1.33 -0.73 0.00 0.00 179.01 176.57 1tl6 n MET 86 N -5.30 0.80 0.00 1.92 2.81 -1.02 -4.59 117.12 111.74 1tl6 n MET 86 Ca 0.05 -0.58 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 1tl6 n MET 86 Cb 0.26 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1tl6 n MET 86 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1tl6 n TYR 87 N -0.59 0.00 -3.65 2.03 4.02 -0.01 -5.09 117.16 113.87 1tl6 n TYR 87 Ca 0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.95 1tl6 n TYR 87 Cb 0.39 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.66 1tl6 n TYR 87 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1tl6 s THR 88 N -0.36 -0.69 0.32 -0.72 -1.32 -0.43 -5.03 115.64 107.40 1tl6 s THR 88 Ca 0.00 0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.42 1tl6 s THR 88 Cb 0.00 -0.94 -0.06 0.00 -1.51 0.00 0.00 72.50 69.98 1tl6 s THR 88 CO 0.00 0.01 0.63 0.20 -2.21 0.00 0.00 174.62 173.25 1tl6 s ASN 89 N 2.52 6.52 0.00 8.08 0.02 -1.23 -4.76 114.94 126.08 1tl6 s ASN 89 Ca -0.07 0.92 0.08 0.00 -1.02 0.00 0.00 52.86 52.77 1tl6 s ASN 89 Cb -0.10 -2.23 0.06 0.00 0.02 0.00 0.00 41.25 39.00 1tl6 s ASN 89 CO -0.18 -0.24 0.75 1.17 0.02 0.00 0.00 177.10 178.61