#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl6 n LYS 3 N 0.00 -3.56 0.13 -3.83 4.01 -1.26 -4.76 118.16 108.90 1tl6 n LYS 3 Ca 0.00 -1.09 0.09 0.00 -0.51 0.00 0.00 58.31 56.80 1tl6 n LYS 3 Cb 0.00 -1.28 0.04 0.00 -0.51 0.00 0.00 35.03 33.29 1tl6 n LYS 3 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1tl6 h ASN 4 N -2.86 0.00 0.19 4.39 4.21 -1.98 -1.98 115.58 117.56 1tl6 h ASN 4 Ca -0.28 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 56.93 1tl6 h ASN 4 Cb 0.92 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.14 1tl6 h ASN 4 CO 0.17 0.12 -1.38 0.40 -1.29 0.00 0.00 177.43 175.45 1tl6 h ILE 5 N 0.00 1.21 0.36 2.81 5.03 -1.92 -1.97 117.51 123.02 1tl6 h ILE 5 Ca -0.02 -2.57 -0.01 0.00 -0.12 0.00 0.00 64.86 62.14 1tl6 h ILE 5 Cb 1.11 2.96 -0.02 0.00 -3.03 0.00 0.00 36.82 37.85 1tl6 h ILE 5 CO 0.01 0.78 -0.36 -0.78 -0.68 0.00 0.00 178.15 177.13 1tl6 h ASP 6 N -0.06 -0.98 -0.93 1.72 1.82 -1.92 -0.37 116.42 115.70 1tl6 h ASP 6 Ca -0.26 0.08 0.25 0.00 -0.39 0.00 0.00 57.03 56.71 1tl6 h ASP 6 Cb 1.97 0.32 -0.17 0.00 0.68 0.00 0.00 39.33 42.13 1tl6 h ASP 6 CO 0.19 -0.47 0.08 0.74 -1.61 0.00 0.00 179.24 178.16 1tl6 h THR 7 N -0.71 0.12 0.08 2.25 2.02 -1.42 -1.42 112.91 113.82 1tl6 h THR 7 Ca -0.05 -0.02 -0.34 0.00 0.77 0.00 0.00 66.41 66.77 1tl6 h THR 7 Cb 0.62 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1tl6 h THR 7 CO -0.04 0.01 -1.90 0.52 0.37 0.00 0.00 175.52 174.48 1tl6 n VAL 8 N -5.41 1.73 0.31 3.16 0.31 -0.74 -2.88 118.33 114.80 1tl6 n VAL 8 Ca 0.22 -0.70 0.15 0.00 -0.01 0.00 0.00 64.34 64.00 1tl6 n VAL 8 Cb 0.72 -1.50 0.54 0.00 -0.91 0.00 0.00 33.84 32.70 1tl6 n VAL 8 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1tl6 h ARG 9 N 0.05 0.00 0.18 5.55 0.11 -0.96 -0.33 114.38 118.98 1tl6 h ARG 9 Ca -0.38 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.69 1tl6 h ARG 9 Cb 2.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.11 1tl6 h ARG 9 CO 0.09 0.00 -0.09 1.49 0.10 0.00 0.00 179.97 181.56 1tl6 h GLU 10 N 0.00 -0.23 0.00 0.08 4.81 -1.30 -1.83 114.58 116.12 1tl6 h GLU 10 Ca 0.00 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1tl6 h GLU 10 Cb 0.58 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1tl6 h GLU 10 CO 0.00 0.08 -0.16 0.82 -0.73 0.00 0.00 179.01 179.01 1tl6 h ILE 11 N -0.55 0.60 -0.98 2.32 2.04 -1.30 -0.20 117.51 119.45 1tl6 h ILE 11 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1tl6 h ILE 11 Cb 0.41 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1tl6 h ILE 11 CO 0.04 0.00 0.64 0.40 0.00 0.00 0.00 178.15 179.23 1tl6 h ILE 12 N -0.27 1.14 0.42 -0.67 2.04 -1.18 0.74 117.51 119.74 1tl6 h ILE 12 Ca 0.05 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1tl6 h ILE 12 Cb 0.34 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1tl6 h ILE 12 CO -0.16 0.22 -0.20 0.74 0.00 0.00 0.00 178.15 178.75 1tl6 h THR 13 N 1.21 0.51 -0.44 -0.27 2.02 -0.94 -2.59 112.91 112.42 1tl6 h THR 13 Ca 0.40 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1tl6 h THR 13 Cb 0.05 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1tl6 h THR 13 CO -0.14 0.07 0.06 0.58 0.37 0.00 0.00 175.52 176.47 1tl6 h VAL 14 N -0.86 1.25 -0.82 3.16 2.07 -0.85 -1.54 116.25 118.66 1tl6 h VAL 14 Ca -0.06 -0.90 0.17 0.00 0.82 0.00 0.00 66.70 66.73 1tl6 h VAL 14 Cb 0.56 0.99 -0.11 0.00 -1.52 0.00 0.00 31.29 31.21 1tl6 h VAL 14 CO 0.10 0.31 0.34 0.00 0.02 0.00 0.00 177.57 178.34 1tl6 h ALA 15 N 0.94 1.21 -0.25 1.67 0.00 -0.96 0.13 119.26 121.99 1tl6 h ALA 15 Ca 0.13 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1tl6 h ALA 15 Cb 0.39 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1tl6 h ALA 15 CO 0.01 -0.25 -0.53 1.03 0.00 0.00 0.00 179.25 179.51 1tl6 h SER 16 N 0.44 0.81 0.28 0.00 0.87 -0.99 0.10 113.55 115.06 1tl6 h SER 16 Ca 0.47 -0.42 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 1tl6 h SER 16 Cb 0.78 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1tl6 h SER 16 CO -0.45 1.18 -0.38 0.40 -0.53 0.00 0.00 176.83 177.05 1tl6 h ILE 17 N 0.57 1.29 0.56 2.23 2.04 -0.83 -2.86 117.51 120.51 1tl6 h ILE 17 Ca 0.02 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 1tl6 h ILE 17 Cb 1.10 1.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1tl6 h ILE 17 CO 0.11 0.41 -0.27 0.25 0.00 0.00 0.00 178.15 178.65 1tl6 h LEU 18 N 0.12 -0.64 0.00 1.44 7.12 -0.38 -3.40 115.31 119.57 1tl6 h LEU 18 Ca 0.01 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1tl6 h LEU 18 Cb 0.73 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.02 1tl6 h LEU 18 CO 0.05 -0.24 -0.30 0.16 -0.13 0.00 0.00 178.44 177.98 1tl6 h ILE 19 N -1.18 0.00 0.00 4.05 3.07 -0.84 -3.36 117.51 119.25 1tl6 h ILE 19 Ca -0.08 -0.99 0.00 0.00 1.55 0.00 0.00 64.86 65.34 1tl6 h ILE 19 Cb 0.58 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1tl6 h ILE 19 CO 0.13 0.00 0.00 1.17 -1.05 0.00 0.00 178.15 178.40 1tl6 n LYS 20 N -2.96 0.00 -2.95 0.16 3.00 -1.08 -3.32 118.16 111.01 1tl6 n LYS 20 Ca 0.03 0.74 -0.34 0.00 -0.00 0.00 0.00 58.31 58.74 1tl6 n LYS 20 Cb 0.53 -1.42 -0.02 0.00 0.00 0.00 0.00 35.03 34.12 1tl6 n LYS 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1tl6 n PHE 21 N -2.35 3.29 0.00 5.64 3.72 -1.26 -4.81 117.46 121.69 1tl6 n PHE 21 Ca 0.00 -3.35 0.00 0.00 -0.05 0.00 0.00 57.45 54.05 1tl6 n PHE 21 Cb 0.00 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 1tl6 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1tl6 n SER 22 N 0.28 0.00 -3.81 4.37 7.64 -1.21 -5.13 113.62 115.76 1tl6 n SER 22 Ca 0.35 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.10 1tl6 n SER 22 Cb 0.34 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.44 1tl6 n SER 22 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1tl6 s ARG 23 N 0.46 0.42 0.07 1.43 1.81 -1.26 -5.02 118.95 116.86 1tl6 s ARG 23 Ca 0.00 0.01 0.24 0.00 -1.72 0.00 0.00 55.73 54.27 1tl6 s ARG 23 Cb 0.00 0.19 0.40 0.00 -0.45 0.00 0.00 34.95 35.09 1tl6 s ARG 23 CO 0.00 -0.09 1.35 0.39 -0.68 0.00 0.00 175.30 176.27 1tl6 n GLU 24 N 2.17 0.20 -0.33 3.54 4.71 -1.26 -4.31 120.64 125.36 1tl6 n GLU 24 Ca -0.17 0.05 0.18 0.00 -0.01 0.00 0.00 57.16 57.20 1tl6 n GLU 24 Cb 0.57 -1.62 0.42 0.00 -1.01 0.00 0.00 31.44 29.80 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 0.61 -0.28 1.62 5.19 -1.99 0.78 116.42 122.35 1tl6 h ASP 25 Ca 0.00 0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 1tl6 h ASP 25 Cb 0.66 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1tl6 h ASP 25 CO 0.00 0.17 -0.18 0.16 -3.12 0.00 0.00 179.24 176.27 1tl6 h ILE 26 N 0.57 1.26 -0.05 0.35 3.07 -1.88 -3.26 117.51 117.57 1tl6 h ILE 26 Ca 0.58 -1.26 -0.24 0.00 1.55 0.00 0.00 64.86 65.49 1tl6 h ILE 26 Cb 1.18 1.16 0.01 0.00 -0.27 0.00 0.00 36.82 38.91 1tl6 h ILE 26 CO -0.35 0.42 -0.94 0.58 -1.05 0.00 0.00 178.15 176.82 1tl6 h VAL 27 N 0.65 1.30 -0.97 0.16 2.07 -1.18 -2.22 116.25 116.07 1tl6 h VAL 27 Ca 0.10 -2.18 0.15 0.00 0.82 0.00 0.00 66.70 65.59 1tl6 h VAL 27 Cb 0.67 2.25 -0.09 0.00 -1.52 0.00 0.00 31.29 32.60 1tl6 h VAL 27 CO 0.05 0.68 0.61 -0.33 0.02 0.00 0.00 177.57 178.59 1tl6 h GLU 28 N 0.42 0.77 -3.39 1.57 4.39 -1.09 -3.12 114.58 114.13 1tl6 h GLU 28 Ca -0.10 -0.05 -0.64 0.00 0.34 0.00 0.00 59.36 58.92 1tl6 h GLU 28 Cb 1.58 -0.17 -0.41 0.00 -0.10 0.00 0.00 28.75 29.64 1tl6 h GLU 28 CO 0.18 0.51 -0.65 -0.80 -1.16 0.00 0.00 179.01 177.10 1tl6 s ASN 29 N -5.63 4.24 0.18 1.42 0.02 -1.23 -5.00 114.94 108.94 1tl6 s ASN 29 Ca -0.11 -2.92 0.22 0.00 -1.02 0.00 0.00 52.86 49.04 1tl6 s ASN 29 Cb 0.23 -1.55 0.89 0.00 0.02 0.00 0.00 41.25 40.84 1tl6 s ASN 29 CO 0.80 -0.24 1.67 -2.11 0.02 0.00 0.00 177.10 177.24 1tl6 n ARG 30 N 3.23 0.15 -0.37 -0.60 1.85 -1.18 -1.93 116.66 117.80 1tl6 n ARG 30 Ca 0.05 0.34 -0.02 0.00 -1.00 0.00 0.00 57.85 57.22 1tl6 n ARG 30 Cb 0.33 -1.76 0.02 0.00 -1.05 0.00 0.00 32.46 30.00 1tl6 n ARG 30 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tl6 n ALA 31 N -1.70 -0.18 -0.28 2.89 0.00 -1.26 -0.53 120.51 119.45 1tl6 n ALA 31 Ca 0.03 0.94 0.10 0.00 0.00 0.00 0.00 53.44 54.51 1tl6 n ALA 31 Cb 0.25 -0.39 0.25 0.00 0.00 0.00 0.00 19.45 19.55 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 0.12 -0.09 0.00 4.21 -1.59 -1.94 115.58 116.29 1tl6 h ASN 32 Ca 0.31 0.16 -0.16 0.00 1.21 0.00 0.00 56.30 57.82 1tl6 h ASN 32 Cb 0.55 0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.94 1tl6 h ASN 32 CO -0.95 -0.05 -0.52 0.15 -1.29 0.00 0.00 177.43 174.77 1tl6 h PHE 33 N 0.30 0.83 -0.10 1.19 3.57 -0.42 -2.04 116.94 120.27 1tl6 h PHE 33 Ca 0.49 -0.28 -0.22 0.00 3.53 0.00 0.00 57.97 61.49 1tl6 h PHE 33 Cb 0.91 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.50 1tl6 h PHE 33 CO -0.22 1.04 -0.83 0.82 -2.23 0.00 0.00 178.31 176.89 1tl6 h ILE 34 N 0.52 1.31 -0.37 1.41 2.04 -0.69 -2.53 117.51 119.20 1tl6 h ILE 34 Ca 0.02 -2.09 -0.13 0.00 1.00 0.00 0.00 64.86 63.66 1tl6 h ILE 34 Cb 1.08 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1tl6 h ILE 34 CO 0.10 0.65 -0.27 0.00 0.00 0.00 0.00 178.15 178.63 1tl6 h ALA 35 N 0.62 0.82 -1.24 1.87 0.00 -1.38 -0.31 119.26 119.65 1tl6 h ALA 35 Ca -0.06 -0.40 0.39 0.00 0.00 0.00 0.00 54.91 54.84 1tl6 h ALA 35 Cb 1.45 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1tl6 h ALA 35 CO 0.16 0.64 0.80 0.74 0.00 0.00 0.00 179.25 181.59 1tl6 h PHE 36 N 0.66 0.55 0.00 0.00 -1.00 -1.19 -1.53 116.94 114.44 1tl6 h PHE 36 Ca 0.08 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 1tl6 h PHE 36 Cb 0.80 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.21 1tl6 h PHE 36 CO 0.04 -0.13 -0.31 -0.07 -1.61 0.00 0.00 178.31 176.23 1tl6 h LEU 37 N 0.17 0.00 0.20 1.54 3.38 -0.73 -3.35 115.31 116.52 1tl6 h LEU 37 Ca 0.75 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.73 1tl6 h LEU 37 Cb 2.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.98 1tl6 h LEU 37 CO -0.38 0.29 -0.33 0.78 0.09 0.00 0.00 178.44 178.89 1tl6 h ASN 38 N 0.00 -0.94 -0.76 -0.43 -0.26 -0.09 -2.58 115.58 110.52 1tl6 h ASN 38 Ca -0.00 0.10 0.07 0.00 -0.56 0.00 0.00 56.30 55.90 1tl6 h ASN 38 Cb 1.23 0.34 -0.09 0.00 -1.06 0.00 0.00 38.32 38.74 1tl6 h ASN 38 CO 0.04 -0.44 -0.45 1.21 -1.06 0.00 0.00 177.43 176.73 1tl6 n GLU 39 N -5.43 -0.33 -0.34 0.81 2.13 -0.99 -1.77 120.64 114.71 1tl6 n GLU 39 Ca -0.08 1.28 0.19 0.00 0.66 0.00 0.00 57.16 59.21 1tl6 n GLU 39 Cb 0.34 -1.89 0.41 0.00 0.27 0.00 0.00 31.44 30.57 1tl6 n GLU 39 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1tl6 h ILE 40 N 0.00 0.52 0.00 6.31 2.04 -1.69 -3.46 117.51 121.22 1tl6 h ILE 40 Ca 0.12 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1tl6 h ILE 40 Cb 0.31 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1tl6 h ILE 40 CO -0.71 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.15 1tl6 n GLY 41 N -1.34 1.40 3.62 5.37 0.00 -0.73 -5.08 105.19 108.44 1tl6 n GLY 41 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 1tl6 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tl6 s VAL 42 N -2.00 3.72 0.17 1.61 1.01 -0.99 -5.00 120.40 118.93 1tl6 s VAL 42 Ca 0.00 0.79 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1tl6 s VAL 42 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1tl6 s VAL 42 CO 0.00 -0.37 -0.07 0.42 0.00 0.00 0.00 175.10 175.08 1tl6 s THR 43 N 5.41 3.36 0.00 3.92 -4.23 -1.26 -3.69 115.64 119.16 1tl6 s THR 43 Ca 0.71 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1tl6 s THR 43 Cb -0.23 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1tl6 s THR 43 CO 0.30 -0.10 0.00 0.00 -0.54 0.00 0.00 174.62 174.28 1tl6 n HIS 44 N 0.03 0.00 -1.95 3.99 1.44 -0.63 -4.98 115.22 113.12 1tl6 n HIS 44 Ca -0.11 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.36 1tl6 n HIS 44 Cb 0.55 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.61 1tl6 n HIS 44 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1tl6 s GLU 45 N 4.98 2.35 0.00 -1.40 8.01 -1.26 -3.97 118.70 127.40 1tl6 s GLU 45 Ca 0.00 -0.20 0.00 0.00 0.01 0.00 0.00 54.97 54.78 1tl6 s GLU 45 Cb 0.00 -5.02 0.00 0.00 -4.31 0.00 0.00 34.13 24.80 1tl6 s GLU 45 CO 0.00 -3.65 0.00 0.41 0.01 0.00 0.00 175.26 172.03 1tl6 n GLY 46 N 6.77 2.58 3.42 -1.39 0.00 -1.26 -4.94 105.19 110.37 1tl6 n GLY 46 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1tl6 n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tl6 s ARG 47 N 0.00 1.54 1.04 1.61 3.52 -1.25 -5.09 118.95 120.31 1tl6 s ARG 47 Ca 0.00 -1.66 -0.15 0.00 -0.13 0.00 0.00 55.73 53.79 1tl6 s ARG 47 Cb 0.00 -1.59 0.21 0.00 -1.56 0.00 0.00 34.95 32.00 1tl6 s ARG 47 CO 0.00 0.30 1.13 0.15 -0.81 0.00 0.00 175.30 176.07 1tl6 s LYS 48 N -3.37 0.11 0.05 5.12 -0.14 -1.26 -1.60 119.74 118.65 1tl6 s LYS 48 Ca 0.26 0.21 -0.17 0.00 -1.36 0.00 0.00 55.97 54.91 1tl6 s LYS 48 Cb -0.04 -1.73 -0.06 0.00 -1.68 0.00 0.00 37.83 34.32 1tl6 s LYS 48 CO 0.12 -2.88 0.50 -1.17 -0.76 0.00 0.00 175.35 171.15 1tl6 s LEU 49 N -6.46 4.49 0.00 3.17 2.96 -1.24 -4.71 118.68 116.89 1tl6 s LEU 49 Ca 0.67 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 1tl6 s LEU 49 Cb -0.14 -2.80 0.00 0.00 0.50 0.00 0.00 46.19 43.76 1tl6 s LEU 49 CO 0.56 0.28 0.04 0.59 -1.32 0.00 0.00 176.35 176.50 1tl6 n ASN 50 N 1.66 1.61 -0.01 3.68 4.13 -1.26 -4.87 115.26 120.20 1tl6 n ASN 50 Ca -0.11 -1.30 -0.12 0.00 1.68 0.00 0.00 54.58 54.73 1tl6 n ASN 50 Cb 0.52 0.02 -0.10 0.00 -1.54 0.00 0.00 39.78 38.67 1tl6 n ASN 50 CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 1tl6 h GLN 51 N 0.00 -0.07 -0.15 3.52 3.07 -1.98 -3.34 115.11 116.16 1tl6 h GLN 51 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 1tl6 h GLN 51 Cb 0.19 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 1tl6 h GLN 51 CO 0.09 0.53 0.03 -0.97 0.09 0.00 0.00 178.83 178.60 1tl6 h ASN 52 N -0.80 0.18 0.00 0.06 -0.73 -2.03 -3.07 115.58 109.19 1tl6 h ASN 52 Ca -0.01 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1tl6 h ASN 52 Cb 0.64 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.18 1tl6 h ASN 52 CO 0.01 0.19 0.01 -1.20 -0.37 0.00 0.00 177.43 176.07 1tl6 n SER 53 N -4.45 0.00 0.20 1.15 7.64 -1.25 -0.85 113.62 116.06 1tl6 n SER 53 Ca -0.01 0.14 0.09 0.00 1.01 0.00 0.00 58.87 60.10 1tl6 n SER 53 Cb 0.13 -0.14 0.24 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.65 1.43 3.57 -1.78 -2.83 116.94 116.67 1tl6 h PHE 54 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1tl6 h PHE 54 Cb 0.02 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.66 1tl6 h PHE 54 CO 0.00 0.24 0.14 0.07 -2.23 0.00 0.00 178.31 176.53 1tl6 h ARG 55 N 0.00 0.26 0.70 1.11 -0.00 -1.27 -0.09 114.38 115.09 1tl6 h ARG 55 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.98 59.93 1tl6 h ARG 55 Cb 1.02 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.92 1tl6 h ARG 55 CO 0.03 0.17 -0.51 -0.22 -0.00 0.00 0.00 179.97 179.45 1tl6 h LYS 56 N 0.27 -1.11 -0.59 0.08 1.63 -1.68 -2.37 116.57 112.78 1tl6 h LYS 56 Ca 0.35 0.08 0.05 0.00 -0.85 0.00 0.00 60.65 60.28 1tl6 h LYS 56 Cb 0.55 0.25 -0.07 0.00 -0.60 0.00 0.00 32.23 32.36 1tl6 h LYS 56 CO -0.44 -0.74 -0.36 0.82 -3.45 0.00 0.00 179.45 175.28 1tl6 h ILE 57 N -1.15 0.00 0.00 2.00 1.08 -1.41 -1.94 117.51 116.09 1tl6 h ILE 57 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1tl6 h ILE 57 Cb 0.95 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1tl6 h ILE 57 CO 0.05 0.00 -0.29 0.55 -0.69 0.00 0.00 178.15 177.77 1tl6 n VAL 58 N -4.37 0.44 -0.02 1.67 3.14 -0.07 -2.75 118.33 116.38 1tl6 n VAL 58 Ca 0.01 -0.26 -0.12 0.00 -2.96 0.00 0.00 64.34 61.01 1tl6 n VAL 58 Cb 0.16 -0.35 -0.07 0.00 -1.06 0.00 0.00 33.84 32.52 1tl6 n VAL 58 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1tl6 h SER 59 N 0.00 0.12 1.26 6.55 0.02 -1.19 -3.32 113.55 116.99 1tl6 h SER 59 Ca 0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1tl6 h SER 59 Cb 0.72 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1tl6 h SER 59 CO 0.00 0.34 0.00 -0.62 -1.14 0.00 0.00 176.83 175.41 1tl6 n GLU 60 N -4.89 0.17 -3.03 3.45 1.02 -0.75 -4.80 120.64 111.82 1tl6 n GLU 60 Ca -0.06 0.16 -0.41 0.00 -0.02 0.00 0.00 57.16 56.82 1tl6 n GLU 60 Cb 0.16 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 29.82 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 -4.00 4.08 0.00 -4.62 1.43 -1.15 -5.04 118.68 109.38 1tl6 s LEU 61 Ca 0.11 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1tl6 s LEU 61 Cb 0.14 -2.99 0.03 0.00 0.03 0.00 0.00 46.19 43.41 1tl6 s LEU 61 CO 0.56 -0.41 0.28 0.35 0.23 0.00 0.00 176.35 177.36 1tl6 n THR 62 N 5.12 0.00 -0.13 5.49 -2.24 -1.26 -4.96 114.28 116.30 1tl6 n THR 62 Ca 0.02 -1.00 -0.04 0.00 -2.27 0.00 0.00 64.05 60.76 1tl6 n THR 62 Cb 0.49 -0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.28 -0.29 -0.78 4.20 -1.99 -1.71 115.11 114.82 1tl6 h GLN 63 Ca -0.15 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.61 1tl6 h GLN 63 Cb 0.61 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.25 1tl6 h GLN 63 CO 0.23 0.18 -0.28 1.49 -0.67 0.00 0.00 178.83 179.78 1tl6 h GLU 64 N 0.28 -0.26 -0.05 1.46 4.57 -1.99 -2.52 114.58 116.08 1tl6 h GLU 64 Ca 0.21 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1tl6 h GLU 64 Cb 0.22 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1tl6 h GLU 64 CO -0.23 -0.17 -0.08 -0.44 -1.18 0.00 0.00 179.01 176.90 1tl6 h ASP 65 N -0.27 -0.25 -0.58 1.04 5.19 -1.92 -1.71 116.42 117.91 1tl6 h ASP 65 Ca 0.15 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.55 1tl6 h ASP 65 Cb 0.50 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.10 1tl6 h ASP 65 CO -0.44 -0.12 0.16 0.11 -3.12 0.00 0.00 179.24 175.83 1tl6 h LYS 66 N -0.12 0.96 -0.14 3.56 1.57 -1.11 -0.73 116.57 120.56 1tl6 h LYS 66 Ca 0.05 -0.20 -0.22 0.00 -1.87 0.00 0.00 60.65 58.41 1tl6 h LYS 66 Cb 0.19 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1tl6 h LYS 66 CO -0.12 0.84 -0.76 -0.22 -0.57 0.00 0.00 179.45 178.63 1tl6 h LYS 67 N 0.92 0.75 -0.99 3.15 1.63 -1.39 -2.40 116.57 118.24 1tl6 h LYS 67 Ca 0.20 -0.63 0.09 0.00 -0.85 0.00 0.00 60.65 59.46 1tl6 h LYS 67 Cb 0.31 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.00 1tl6 h LYS 67 CO -0.00 1.23 0.64 1.15 -3.45 0.00 0.00 179.45 179.02 1tl6 h THR 68 N 0.47 1.02 0.24 1.00 2.02 -0.89 0.78 112.91 117.55 1tl6 h THR 68 Ca -0.06 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1tl6 h THR 68 Cb 1.39 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1tl6 h THR 68 CO 0.16 0.20 -0.12 0.25 0.37 0.00 0.00 175.52 176.38 1tl6 h LEU 69 N 1.08 -0.27 -0.89 2.58 6.46 -1.03 -3.10 115.31 120.14 1tl6 h LEU 69 Ca 0.45 0.01 0.20 0.00 -0.12 0.00 0.00 57.88 58.43 1tl6 h LEU 69 Cb 0.30 0.07 -0.16 0.00 -0.73 0.00 0.00 40.66 40.14 1tl6 h LEU 69 CO -0.21 -0.17 -0.10 0.40 -0.62 0.00 0.00 178.44 177.75 1tl6 h ILE 70 N -0.38 0.14 -1.00 4.05 2.04 -1.42 0.16 117.51 121.10 1tl6 h ILE 70 Ca -0.03 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 65.96 1tl6 h ILE 70 Cb 0.25 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.35 1tl6 h ILE 70 CO 0.05 0.01 0.62 -0.78 0.00 0.00 0.00 178.15 178.05 1tl6 h ASP 71 N 0.03 0.86 0.18 1.72 3.58 -0.92 -2.98 116.42 118.89 1tl6 h ASP 71 Ca 0.47 0.06 -0.36 0.00 0.42 0.00 0.00 57.03 57.63 1tl6 h ASP 71 Cb 0.83 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.78 1tl6 h ASP 71 CO -0.86 0.41 -1.79 -0.08 -2.88 0.00 0.00 179.24 174.04 1tl6 h GLU 72 N 0.90 0.38 -3.15 0.28 4.57 -1.25 -3.43 114.58 112.88 1tl6 h GLU 72 Ca 0.52 -0.65 -0.74 0.00 -1.18 0.00 0.00 59.36 57.31 1tl6 h GLU 72 Cb 0.65 0.24 -0.32 0.00 -0.16 0.00 0.00 28.75 29.16 1tl6 h GLU 72 CO -0.30 1.31 0.21 0.34 -1.18 0.00 0.00 179.01 179.39 1tl6 n PHE 73 N -3.58 3.96 0.00 0.92 7.35 0.48 -4.92 117.46 121.67 1tl6 n PHE 73 Ca -0.26 -3.71 0.00 0.00 -0.76 0.00 0.00 57.45 52.73 1tl6 n PHE 73 Cb 1.07 -1.25 0.00 0.00 0.35 0.00 0.00 39.48 39.65 1tl6 n PHE 73 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1tl6 n ASN 74 N 1.99 0.00 0.00 -2.13 5.03 -1.23 -2.67 115.26 116.24 1tl6 n ASN 74 Ca 0.24 0.37 0.11 0.00 0.87 0.00 0.00 54.58 56.17 1tl6 n ASN 74 Cb 0.37 -0.44 0.48 0.00 -1.02 0.00 0.00 39.78 39.16 1tl6 n ASN 74 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1tl6 n GLU 75 N -1.92 0.04 -0.04 3.52 0.00 -1.26 -2.05 120.64 118.93 1tl6 n GLU 75 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 57.16 57.14 1tl6 n GLU 75 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 29.86 1tl6 n GLU 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1tl6 h GLY 76 N 3.76 0.24 0.62 -1.84 0.00 -1.95 0.07 103.07 103.98 1tl6 h GLY 76 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1tl6 h GLY 76 CO 0.00 0.23 -0.03 -2.75 0.00 0.00 0.00 176.54 173.99 1tl6 h PHE 77 N -0.23 -0.09 0.00 5.60 3.57 -1.33 -2.85 116.94 121.62 1tl6 h PHE 77 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1tl6 h PHE 77 Cb 0.65 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1tl6 h PHE 77 CO 0.10 0.28 -0.16 0.93 -2.23 0.00 0.00 178.31 177.23 1tl6 h GLU 78 N -0.48 0.00 -0.00 1.11 5.08 -1.54 -0.61 114.58 118.15 1tl6 h GLU 78 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tl6 h GLU 78 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1tl6 h GLU 78 CO 0.02 0.16 0.00 0.78 -1.00 0.00 0.00 179.01 178.97 1tl6 h GLY 79 N 1.95 0.00 2.00 -3.84 0.00 -0.97 -2.27 103.07 99.94 1tl6 h GLY 79 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1tl6 h GLY 79 CO 0.02 0.00 -0.51 -0.24 0.00 0.00 0.00 176.54 175.81 1tl6 h VAL 80 N -0.11 1.10 -0.96 4.60 3.04 -1.26 -3.05 116.25 119.60 1tl6 h VAL 80 Ca 0.00 -1.96 0.07 0.00 -1.01 0.00 0.00 66.70 63.80 1tl6 h VAL 80 Cb 0.11 2.15 -0.07 0.00 -2.01 0.00 0.00 31.29 31.47 1tl6 h VAL 80 CO -0.00 0.50 0.61 0.22 -1.01 0.00 0.00 177.57 177.90 1tl6 h TYR 81 N 0.00 1.13 -0.28 3.17 5.03 -1.03 0.24 116.97 125.23 1tl6 h TYR 81 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1tl6 h TYR 81 Cb 1.10 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 1tl6 h TYR 81 CO 0.00 0.56 0.18 -0.09 -1.32 0.00 0.00 178.16 177.49 1tl6 h ARG 82 N 1.09 0.38 -0.58 1.82 2.43 -1.30 -1.00 114.38 117.22 1tl6 h ARG 82 Ca 0.43 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 1tl6 h ARG 82 Cb 0.21 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1tl6 h ARG 82 CO -0.19 0.27 0.28 -0.92 -1.51 0.00 0.00 179.97 177.90 1tl6 h TYR 83 N 0.37 0.84 -0.08 2.20 5.03 -1.34 -2.66 116.97 121.34 1tl6 h TYR 83 Ca 0.10 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.40 1tl6 h TYR 83 Cb -0.01 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 37.98 1tl6 h TYR 83 CO -0.05 0.64 -0.09 1.25 -1.32 0.00 0.00 178.16 178.60 1tl6 h LEU 84 N 0.79 -0.26 -1.38 2.82 5.85 -0.33 0.79 115.31 123.59 1tl6 h LEU 84 Ca 0.20 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1tl6 h LEU 84 Cb 0.12 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1tl6 h LEU 84 CO -0.02 -0.12 -0.26 -0.08 -0.34 0.00 0.00 178.44 177.61 1tl6 h GLU 85 N -0.11 0.00 0.06 1.25 4.81 -1.20 -3.21 114.58 116.18 1tl6 h GLU 85 Ca 0.06 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1tl6 h GLU 85 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1tl6 h GLU 85 CO -0.14 0.26 -0.03 0.52 -0.73 0.00 0.00 179.01 178.89 1tl6 h MET 86 N 0.00 -0.08 0.00 1.92 2.86 -1.16 -3.45 114.93 115.02 1tl6 h MET 86 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1tl6 h MET 86 Cb 0.62 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1tl6 h MET 86 CO 0.03 -0.05 0.00 2.48 1.06 0.00 0.00 176.91 180.43 1tl6 n TYR 87 N -2.37 0.00 -3.64 -0.22 4.11 0.24 -5.04 117.16 110.24 1tl6 n TYR 87 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.84 1tl6 n TYR 87 Cb 0.03 -0.38 -0.07 0.00 -0.00 0.00 0.00 39.34 38.92 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 -0.82 0.00 -1.02 -3.48 -1.32 -1.23 -5.09 115.64 102.68 1tl6 s THR 88 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 1tl6 s THR 88 Cb 0.00 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.23 1tl6 s THR 88 CO 0.00 0.00 1.03 0.21 -2.21 0.00 0.00 174.62 173.65 1tl6 s ASN 89 N 0.71 7.08 0.00 8.08 2.47 -1.26 -4.87 114.94 127.16 1tl6 s ASN 89 Ca -0.02 -3.16 0.00 0.00 0.42 0.00 0.00 52.86 50.10 1tl6 s ASN 89 Cb -0.04 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.52 1tl6 s ASN 89 CO -0.11 -0.47 0.00 0.29 -3.72 0.00 0.00 177.10 173.09