#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i35 s ILE 2 N 0.00 5.27 0.25 0.00 1.09 -1.26 -1.00 121.20 125.55 1i35 s ILE 2 Ca 0.00 0.57 0.11 0.00 -1.10 0.00 0.00 60.65 60.24 1i35 s ILE 2 Cb 0.00 -3.62 -0.05 0.00 -1.06 0.00 0.00 42.46 37.73 1i35 s ILE 2 CO 0.00 0.46 -0.20 -0.22 -0.10 0.00 0.00 174.94 174.89 1i35 s LEU 3 N -0.10 2.56 -0.08 2.97 0.20 -0.78 -4.62 118.68 118.83 1i35 s LEU 3 Ca 0.18 -1.00 0.04 0.00 0.69 0.00 0.00 54.13 54.04 1i35 s LEU 3 Cb -0.14 -1.04 -0.01 0.00 -0.43 0.00 0.00 46.19 44.57 1i35 s LEU 3 CO 0.06 0.02 -0.20 -0.60 -0.29 0.00 0.00 176.35 175.34 1i35 s ARG 4 N -3.38 2.85 -0.03 1.98 3.52 -1.20 -1.33 118.95 121.35 1i35 s ARG 4 Ca 0.27 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1i35 s ARG 4 Cb -0.05 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 31.01 1i35 s ARG 4 CO 0.13 0.34 -0.08 -0.59 -0.81 0.00 0.00 175.30 174.29 1i35 s PHE 5 N -0.02 0.91 -0.04 5.12 -0.71 -0.88 -2.27 117.98 120.08 1i35 s PHE 5 Ca -0.06 -0.24 0.03 0.00 -1.04 0.00 0.00 56.93 55.62 1i35 s PHE 5 Cb -0.15 -0.67 0.00 0.00 -1.21 0.00 0.00 43.02 40.99 1i35 s PHE 5 CO 0.05 -0.12 -0.12 -1.50 -1.34 0.00 0.00 175.22 172.19 1i35 s ILE 6 N 0.34 1.05 0.08 -4.49 -1.16 0.42 -1.99 121.20 115.45 1i35 s ILE 6 Ca -0.05 -0.49 0.04 0.00 -0.51 0.00 0.00 60.65 59.64 1i35 s ILE 6 Cb -0.10 -0.93 -0.03 0.00 0.61 0.00 0.00 42.46 42.01 1i35 s ILE 6 CO 0.01 0.32 -0.12 0.00 -2.81 0.00 0.00 174.94 172.34 1i35 s ALA 7 N 0.28 1.10 0.25 1.50 0.00 0.17 0.14 121.76 125.19 1i35 s ALA 7 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1i35 s ALA 7 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1i35 s ALA 7 CO 0.02 0.05 0.00 0.00 0.00 0.00 0.00 175.76 175.82 1i35 h ASN 9 N -0.96 0.69 0.00 0.00 -1.07 -1.94 -3.37 115.58 108.93 1i35 h ASN 9 Ca 0.01 -0.35 -0.07 0.00 0.07 0.00 0.00 56.30 55.97 1i35 h ASN 9 Cb 0.94 -0.19 -0.15 0.00 -2.07 0.00 0.00 38.32 36.85 1i35 h ASN 9 CO 0.01 0.87 -0.66 0.61 0.07 0.00 0.00 177.43 178.34 1i35 n GLY 10 N -0.23 3.12 3.22 9.14 0.00 -1.26 -4.36 105.19 114.82 1i35 n GLY 10 Ca -0.02 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1i35 n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i35 s GLN 11 N -1.68 2.54 -0.11 1.61 1.11 -0.73 -5.05 119.66 117.35 1i35 s GLN 11 Ca 0.32 -1.80 0.02 0.00 0.01 0.00 0.00 55.36 53.91 1i35 s GLN 11 Cb 0.34 -3.96 -0.01 0.00 -1.01 0.00 0.00 33.01 28.37 1i35 s GLN 11 CO -0.09 -1.21 -0.17 0.95 0.01 0.00 0.00 175.29 174.78 1i35 s THR 12 N 1.31 2.68 0.06 -0.19 -4.23 -1.26 0.42 115.64 114.42 1i35 s THR 12 Ca 0.06 -0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1i35 s THR 12 Cb -0.26 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 1i35 s THR 12 CO -0.01 0.54 0.16 -0.60 -0.54 0.00 0.00 174.62 174.17 1i35 s ARG 13 N 0.26 0.73 -0.13 3.99 3.52 -0.84 -5.01 118.95 121.47 1i35 s ARG 13 Ca -0.12 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.65 1i35 s ARG 13 Cb -0.16 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.54 1i35 s ARG 13 CO 0.06 -0.21 -0.15 0.00 -0.81 0.00 0.00 175.30 174.19 1i35 s ALA 14 N -3.23 1.81 0.02 6.12 0.00 -1.26 -2.08 121.76 123.13 1i35 s ALA 14 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1i35 s ALA 14 Cb 0.02 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1i35 s ALA 14 CO -0.08 -0.23 -0.06 0.14 0.00 0.00 0.00 175.76 175.53 1i35 s VAL 15 N 1.23 0.45 0.42 0.00 -7.23 -0.44 -4.96 120.40 109.87 1i35 s VAL 15 Ca -0.01 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 1i35 s VAL 15 Cb -0.14 -0.46 -0.09 0.00 0.56 0.00 0.00 36.38 36.25 1i35 s VAL 15 CO -0.06 -0.15 1.43 0.00 -0.31 0.00 0.00 175.10 176.01 1i35 s GLN 16 N -0.87 3.85 0.12 4.82 -2.07 -1.26 -1.86 119.66 122.40 1i35 s GLN 16 Ca -0.04 2.43 -0.01 0.00 -1.82 0.00 0.00 55.36 55.92 1i35 s GLN 16 Cb -0.06 -2.76 -0.04 0.00 -1.09 0.00 0.00 33.01 29.05 1i35 s GLN 16 CO 0.00 -0.69 0.03 -1.54 -1.32 0.00 0.00 175.29 171.77 1i35 s SER 17 N -0.43 0.50 0.00 12.60 1.04 -0.17 -4.70 113.70 122.54 1i35 s SER 17 Ca 0.58 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1i35 s SER 17 Cb -0.44 0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1i35 s SER 17 CO 0.57 -0.68 0.00 -1.14 0.98 0.00 0.00 173.24 172.98 1i35 n ARG 18 N -0.08 0.00 -2.65 4.02 0.63 -1.26 -1.45 116.66 115.87 1i35 n ARG 18 Ca -0.07 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.53 1i35 n ARG 18 Cb 0.63 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.54 1i35 n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i35 n GLY 19 N 0.00 5.84 0.49 5.14 0.00 -1.26 -4.98 105.19 110.42 1i35 n GLY 19 Ca 0.00 -2.68 0.06 0.00 0.00 0.00 0.00 46.02 43.40 1i35 n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i35 n ASP 20 N -0.26 -2.77 0.01 1.61 2.03 -1.26 -4.34 116.55 111.57 1i35 n ASP 20 Ca 0.40 0.44 0.13 0.00 0.52 0.00 0.00 54.79 56.29 1i35 n ASP 20 Cb 0.37 -1.65 0.52 0.00 -0.72 0.00 0.00 41.12 39.64 1i35 n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i35 n TYR 21 N -2.92 0.08 0.09 -0.67 4.11 -1.12 -4.01 117.16 112.73 1i35 n TYR 21 Ca -0.03 0.02 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1i35 n TYR 21 Cb 0.23 -0.49 -0.08 0.00 -0.00 0.00 0.00 39.34 39.01 1i35 n TYR 21 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.86 177.23 1i35 h GLN 22 N 0.00 -0.16 -0.18 -3.48 5.75 -1.80 1.32 115.11 116.56 1i35 h GLN 22 Ca 0.00 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1i35 h GLN 22 Cb 0.52 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1i35 h GLN 22 CO 0.00 -0.03 0.10 1.57 -2.65 0.00 0.00 178.83 177.83 1i35 h LYS 23 N -0.25 0.25 -0.46 1.69 2.10 -1.76 1.43 116.57 119.57 1i35 h LYS 23 Ca -0.02 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1i35 h LYS 23 Cb 0.20 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1i35 h LYS 23 CO 0.03 0.24 0.29 1.15 -2.00 0.00 0.00 179.45 179.15 1i35 h THR 24 N 0.20 1.13 -0.00 0.07 2.02 -1.68 0.29 112.91 114.94 1i35 h THR 24 Ca 0.07 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1i35 h THR 24 Cb 0.05 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1i35 h THR 24 CO -0.01 0.13 -0.00 0.25 0.37 0.00 0.00 175.52 176.26 1i35 h LEU 25 N 0.62 0.01 0.26 2.58 7.12 0.21 -1.54 115.31 124.57 1i35 h LEU 25 Ca 0.17 -0.46 -0.01 0.00 0.13 0.00 0.00 57.88 57.70 1i35 h LEU 25 Cb -0.03 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.10 1i35 h LEU 25 CO -0.03 0.47 -0.13 0.00 -0.13 0.00 0.00 178.44 178.62 1i35 h ALA 26 N 0.54 -0.35 -0.20 1.25 0.00 0.21 -2.75 119.26 117.96 1i35 h ALA 26 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1i35 h ALA 26 Cb 0.46 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1i35 h ALA 26 CO 0.00 -0.47 -0.58 0.82 0.00 0.00 0.00 179.25 179.01 1i35 h ILE 27 N -0.80 1.31 -0.35 0.00 5.03 -0.58 -2.21 117.51 119.91 1i35 h ILE 27 Ca -0.04 -1.83 0.06 0.00 -0.12 0.00 0.00 64.86 62.94 1i35 h ILE 27 Cb 0.51 1.78 -0.06 0.00 -3.03 0.00 0.00 36.82 36.02 1i35 h ILE 27 CO 0.06 0.57 -0.01 0.00 -0.68 0.00 0.00 178.15 178.10 1i35 h ALA 28 N 0.86 0.31 -0.09 1.87 0.00 -1.32 -0.73 119.26 120.16 1i35 h ALA 28 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1i35 h ALA 28 Cb 1.15 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1i35 h ALA 28 CO 0.12 -0.40 -0.35 1.25 0.00 0.00 0.00 179.25 179.86 1i35 h LEU 29 N 0.09 0.17 -0.11 0.00 7.12 -1.48 0.06 115.31 121.16 1i35 h LEU 29 Ca 0.17 -0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 1i35 h LEU 29 Cb 0.24 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1i35 h LEU 29 CO -0.29 0.52 0.07 0.07 -0.13 0.00 0.00 178.44 178.67 1i35 h LYS 30 N 0.15 0.14 0.05 1.25 5.09 -0.48 -0.37 116.57 122.39 1i35 h LYS 30 Ca 0.02 -0.01 -0.23 0.00 0.09 0.00 0.00 60.65 60.52 1i35 h LYS 30 Cb 0.70 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.98 1i35 h LYS 30 CO 0.05 0.13 -1.03 1.57 -2.09 0.00 0.00 179.45 178.07 1i35 h LYS 31 N 0.12 0.19 0.18 0.07 2.10 -1.49 -3.36 116.57 114.38 1i35 h LYS 31 Ca 0.04 -0.27 -0.01 0.00 -2.00 0.00 0.00 60.65 58.41 1i35 h LYS 31 Cb 0.02 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1i35 h LYS 31 CO -0.01 1.06 -0.08 0.35 -2.00 0.00 0.00 179.45 178.77 1i35 h PHE 32 N 0.08 -0.22 0.00 0.07 3.04 -0.64 -3.45 116.94 115.81 1i35 h PHE 32 Ca -0.07 -0.01 -0.28 0.00 3.98 0.00 0.00 57.97 61.59 1i35 h PHE 32 Cb 1.73 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 40.27 1i35 h PHE 32 CO 0.04 -0.14 -1.94 0.45 -2.02 0.00 0.00 178.31 174.70 1i35 n SER 33 N -4.23 1.31 0.00 0.41 2.88 -0.40 -5.03 113.62 108.56 1i35 n SER 33 Ca -0.03 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1i35 n SER 33 Cb 0.09 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1i35 n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i35 n LEU 34 N -3.69 0.00 -3.69 2.46 4.32 -0.29 -5.04 117.00 111.07 1i35 n LEU 34 Ca -0.33 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.53 1i35 n LEU 34 Cb 0.74 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.45 1i35 n LEU 34 CO 0.03 0.00 0.23 -1.61 -1.22 0.00 0.00 177.39 174.82 1i35 s GLU 35 N 2.72 0.63 0.00 3.23 2.02 -1.26 -3.26 118.70 122.77 1i35 s GLU 35 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 54.97 55.76 1i35 s GLU 35 Cb 0.00 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.52 1i35 s GLU 35 CO 0.00 -0.08 0.00 -0.25 0.02 0.00 0.00 175.26 174.95 1i35 n ASP 36 N 2.90 -1.86 0.17 -0.19 8.00 -1.26 -4.96 116.55 119.34 1i35 n ASP 36 Ca -0.14 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.41 1i35 n ASP 36 Cb 0.56 -0.47 0.24 0.00 -0.02 0.00 0.00 41.12 41.44 1i35 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i35 h ALA 37 N 0.00 0.88 -0.61 2.24 0.00 -1.88 -3.36 119.26 116.52 1i35 h ALA 37 Ca 0.00 -0.38 0.18 0.00 0.00 0.00 0.00 54.91 54.71 1i35 h ALA 37 Cb 0.93 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1i35 h ALA 37 CO 0.00 0.52 0.79 0.77 0.00 0.00 0.00 179.25 181.33 1i35 h SER 38 N 0.00 0.00 0.18 0.00 0.02 -1.85 1.71 113.55 113.61 1i35 h SER 38 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1i35 h SER 38 Cb 1.06 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1i35 h SER 38 CO 0.05 0.00 -0.27 0.50 -1.14 0.00 0.00 176.83 175.97 1i35 h LYS 39 N 0.00 -0.51 -5.30 3.45 3.64 -1.97 -3.44 116.57 112.44 1i35 h LYS 39 Ca 0.29 0.03 -0.45 0.00 -1.27 0.00 0.00 60.65 59.26 1i35 h LYS 39 Cb 1.87 0.11 0.22 0.00 -0.41 0.00 0.00 32.23 34.03 1i35 h LYS 39 CO -0.00 -0.34 -2.19 1.19 -2.27 0.00 0.00 179.45 175.84 1i35 n PHE 40 N -5.39 -2.21 -4.12 1.91 3.01 0.58 -4.11 117.46 107.13 1i35 n PHE 40 Ca -0.07 0.40 -0.09 0.00 1.01 0.00 0.00 57.45 58.70 1i35 n PHE 40 Cb 0.30 -1.23 -0.10 0.00 -0.01 0.00 0.00 39.48 38.44 1i35 n PHE 40 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1i35 s ILE 41 N -1.77 0.11 0.13 4.37 -4.36 0.11 -4.70 121.20 115.10 1i35 s ILE 41 Ca 0.33 -1.85 0.09 0.00 -0.26 0.00 0.00 60.65 58.96 1i35 s ILE 41 Cb 0.02 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 1i35 s ILE 41 CO 0.63 -0.51 -0.18 -0.69 0.24 0.00 0.00 174.94 174.43 1i35 s VAL 42 N -4.03 2.83 0.01 8.37 1.01 -1.11 -0.71 120.40 126.78 1i35 s VAL 42 Ca 0.21 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1i35 s VAL 42 Cb 0.07 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1i35 s VAL 42 CO 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 175.10 175.12 1i35 s VAL 44 N -0.71 0.84 0.31 0.00 1.01 -0.71 -2.24 120.40 118.90 1i35 s VAL 44 Ca -0.06 -1.74 -0.30 0.00 0.00 0.00 0.00 61.98 59.89 1i35 s VAL 44 Cb -0.05 -1.46 -0.11 0.00 0.00 0.00 0.00 36.38 34.75 1i35 s VAL 44 CO -0.00 -0.68 1.58 -1.54 0.00 0.00 0.00 175.10 174.46 1i35 n SER 45 N 0.34 3.86 0.00 3.32 3.41 -1.26 0.07 113.62 123.35 1i35 n SER 45 Ca -0.15 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1i35 n SER 45 Cb 0.59 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1i35 n SER 45 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1i35 n GLN 46 N 1.80 0.00 0.00 4.33 -0.06 -1.17 -4.82 117.38 117.47 1i35 n GLN 46 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 1i35 n GLN 46 Cb 0.37 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.55 1i35 n GLN 46 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1i35 n SER 47 N -0.07 0.00 0.11 1.69 3.41 -1.26 -4.96 113.62 112.54 1i35 n SER 47 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1i35 n SER 47 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1i35 n SER 47 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1i35 h SER 48 N 0.00 0.74 -2.40 4.04 0.87 -2.02 -3.48 113.55 111.29 1i35 h SER 48 Ca 0.00 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 1i35 h SER 48 Cb 0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 1i35 h SER 48 CO 0.00 1.75 0.00 0.54 -0.53 0.00 0.00 176.83 178.59 1i35 n ARG 49 N -3.68 1.02 -2.90 2.24 5.12 -1.26 -5.14 116.66 112.05 1i35 n ARG 49 Ca -0.21 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.34 1i35 n ARG 49 Cb 1.09 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 32.32 1i35 n ARG 49 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1i35 s ILE 50 N -1.45 4.32 0.07 0.55 1.09 -1.26 -3.02 121.20 121.50 1i35 s ILE 50 Ca 0.00 1.69 -0.04 0.00 -1.10 0.00 0.00 60.65 61.20 1i35 s ILE 50 Cb 0.00 -4.04 -0.05 0.00 -1.06 0.00 0.00 42.46 37.31 1i35 s ILE 50 CO 0.00 0.29 0.28 -0.75 -0.10 0.00 0.00 174.94 174.66 1i35 s LYS 51 N -1.72 3.54 0.31 2.79 2.20 0.11 -4.90 119.74 122.08 1i35 s LYS 51 Ca 0.44 -0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.56 1i35 s LYS 51 Cb -0.20 -2.99 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 1i35 s LYS 51 CO 0.25 0.58 1.14 -0.51 -0.36 0.00 0.00 175.35 176.44 1i35 s LEU 52 N -2.30 4.45 -0.10 5.43 2.01 -1.26 -1.74 118.68 125.17 1i35 s LEU 52 Ca 0.34 2.33 0.02 0.00 0.01 0.00 0.00 54.13 56.84 1i35 s LEU 52 Cb -0.13 -3.73 0.01 0.00 0.01 0.00 0.00 46.19 42.36 1i35 s LEU 52 CO 0.23 -0.31 -0.15 -0.63 1.01 0.00 0.00 176.35 176.50 1i35 s ILE 53 N -1.23 1.49 0.00 -0.59 1.01 0.46 -4.78 121.20 117.56 1i35 s ILE 53 Ca 0.48 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1i35 s ILE 53 Cb -0.32 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1i35 s ILE 53 CO 0.42 0.44 0.00 0.35 0.00 0.00 0.00 174.94 176.14 1i35 n THR 54 N 4.10 0.00 0.00 2.92 -2.24 -1.26 -2.76 114.28 115.03 1i35 n THR 54 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1i35 n THR 54 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1i35 n THR 54 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i35 n GLU 55 N 0.00 0.00 0.07 -0.78 1.02 -1.26 -4.38 120.64 115.31 1i35 n GLU 55 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1i35 n GLU 55 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1i35 n GLU 55 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1i35 h GLU 56 N 0.00 0.00 0.00 3.49 4.39 -1.97 -2.96 114.58 117.54 1i35 h GLU 56 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1i35 h GLU 56 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1i35 h GLU 56 CO 0.00 0.92 -0.15 0.93 -1.16 0.00 0.00 179.01 179.54 1i35 h GLU 57 N 0.00 0.00 -0.98 2.33 4.39 -2.01 -3.26 114.58 115.06 1i35 h GLU 57 Ca -0.02 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.85 1i35 h GLU 57 Cb 1.74 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.29 1i35 h GLU 57 CO 0.12 0.15 0.58 0.27 -1.16 0.00 0.00 179.01 178.98 1i35 h PHE 58 N 0.00 1.03 -0.03 4.33 -0.00 -1.76 0.78 116.94 121.28 1i35 h PHE 58 Ca -0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.00 1i35 h PHE 58 Cb 0.34 -0.31 -0.00 0.00 -0.00 0.00 0.00 35.95 35.98 1i35 h PHE 58 CO 0.00 0.26 -0.00 1.57 -0.00 0.00 0.00 178.31 180.14 1i35 h LYS 59 N 0.78 0.06 -0.15 6.09 2.10 -1.83 -2.66 116.57 120.97 1i35 h LYS 59 Ca 0.54 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 59.03 1i35 h LYS 59 Cb 0.78 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 1i35 h LYS 59 CO -0.36 0.38 -0.51 1.96 -2.00 0.00 0.00 179.45 178.92 1i35 h GLN 60 N -0.26 0.41 0.20 0.07 7.50 -1.57 -1.15 115.11 120.32 1i35 h GLN 60 Ca 0.01 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 58.91 1i35 h GLN 60 Cb 0.35 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.90 1i35 h GLN 60 CO 0.00 0.83 -0.10 -0.84 -1.50 0.00 0.00 178.83 177.22 1i35 h ILE 61 N 0.32 0.88 -0.03 2.54 3.07 0.55 -1.62 117.51 123.23 1i35 h ILE 61 Ca 0.01 -0.82 -0.02 0.00 1.55 0.00 0.00 64.86 65.58 1i35 h ILE 61 Cb 1.01 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 1i35 h ILE 61 CO 0.09 0.17 -0.06 0.00 -1.05 0.00 0.00 178.15 177.30 1i35 n PHE 63 N -4.73 0.06 -0.33 0.00 3.72 -0.43 -4.01 117.46 111.74 1i35 n PHE 63 Ca -0.08 0.02 0.27 0.00 -0.05 0.00 0.00 57.45 57.61 1i35 n PHE 63 Cb 0.33 -0.54 0.42 0.00 -0.94 0.00 0.00 39.48 38.75 1i35 n PHE 63 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1i35 n ASN 64 N -1.56 0.00 0.12 4.37 0.23 -0.61 0.36 115.26 118.18 1i35 n ASN 64 Ca 0.03 0.56 0.05 0.00 -0.53 0.00 0.00 54.58 54.69 1i35 n ASN 64 Cb 0.17 -0.25 0.28 0.00 -2.08 0.00 0.00 39.78 37.90 1i35 n ASN 64 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1i35 n SER 65 N -2.92 0.27 -1.06 0.53 2.88 -1.26 -4.80 113.62 107.26 1i35 n SER 65 Ca 0.23 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1i35 n SER 65 Cb 1.14 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1i35 n SER 65 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1i35 n SER 66 N -1.88 -1.41 -4.34 -3.46 7.64 0.16 -5.12 113.62 105.21 1i35 n SER 66 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1i35 n SER 66 Cb 0.28 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.67 1i35 n SER 66 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1i35 s SER 67 N -0.83 2.66 0.23 6.43 0.01 -1.24 -5.13 113.70 115.83 1i35 s SER 67 Ca 0.00 -0.93 -0.30 0.00 1.31 0.00 0.00 55.95 56.04 1i35 s SER 67 Cb 0.00 -0.15 -0.09 0.00 0.21 0.00 0.00 66.02 65.99 1i35 s SER 67 CO 0.00 -0.08 1.21 -2.16 0.41 0.00 0.00 173.24 172.61 1i35 s PRO 68 N -3.14 4.49 0.00 12.44 0.04 -1.26 -4.88 135.00 142.70 1i35 s PRO 68 Ca 0.19 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1i35 s PRO 68 Cb -0.04 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1i35 s PRO 68 CO 0.07 -0.06 0.00 -0.85 0.04 0.00 0.00 177.00 176.20 1i35 n GLU 69 N 2.03 0.00 -4.09 4.56 0.28 -1.26 -4.74 120.64 117.42 1i35 n GLU 69 Ca 0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.67 1i35 n GLU 69 Cb 0.44 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.23 1i35 n GLU 69 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1i35 s ARG 70 N -0.59 3.33 0.00 3.44 1.70 -1.26 -4.98 118.95 120.58 1i35 s ARG 70 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.99 1i35 s ARG 70 Cb 0.00 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.34 1i35 s ARG 70 CO 0.00 0.69 0.00 -0.25 -1.08 0.00 0.00 175.30 174.66 1i35 n ASP 71 N 2.23 0.00 -3.31 -2.89 9.92 -1.26 -3.84 116.55 117.40 1i35 n ASP 71 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1i35 n ASP 71 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1i35 n ASP 71 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1i35 n ARG 72 N 0.00 0.00 -4.21 -1.24 3.00 -1.26 -3.28 116.66 109.67 1i35 n ARG 72 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 1i35 n ARG 72 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 32.46 31.48 1i35 n ARG 72 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1i35 s LEU 73 N 0.00 3.44 -0.05 6.15 0.05 -0.96 -4.69 118.68 122.62 1i35 s LEU 73 Ca 0.00 -0.45 0.03 0.00 0.05 0.00 0.00 54.13 53.76 1i35 s LEU 73 Cb 0.00 -1.99 0.01 0.00 -2.05 0.00 0.00 46.19 42.15 1i35 s LEU 73 CO 0.00 0.01 -0.14 -0.63 -0.55 0.00 0.00 176.35 175.04 1i35 s ILE 74 N -2.13 1.21 0.03 1.48 -1.09 -0.95 0.16 121.20 119.91 1i35 s ILE 74 Ca 0.31 -0.56 -0.24 0.00 -2.23 0.00 0.00 60.65 57.93 1i35 s ILE 74 Cb -0.08 -1.08 -0.05 0.00 -1.58 0.00 0.00 42.46 39.67 1i35 s ILE 74 CO 0.21 0.37 0.72 -0.63 -1.23 0.00 0.00 174.94 174.38 1i35 s ILE 75 N 0.37 4.78 0.00 2.92 -1.09 0.36 -1.74 121.20 126.80 1i35 s ILE 75 Ca -0.09 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 1i35 s ILE 75 Cb -0.13 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1i35 s ILE 75 CO 0.03 0.38 -0.01 0.68 -1.23 0.00 0.00 174.94 174.79 1i35 s VAL 76 N -0.09 0.07 0.24 2.92 -7.23 0.11 -2.75 120.40 113.67 1i35 s VAL 76 Ca 0.36 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.14 1i35 s VAL 76 Cb -0.20 -0.08 -0.09 0.00 0.56 0.00 0.00 36.38 36.57 1i35 s VAL 76 CO 0.21 -0.02 1.36 -2.16 -0.31 0.00 0.00 175.10 174.18 1i35 s PRO 77 N -0.12 4.34 0.05 4.82 0.04 -1.26 0.07 135.00 142.93 1i35 s PRO 77 Ca -0.01 2.17 -0.23 0.00 0.04 0.00 0.00 61.00 62.97 1i35 s PRO 77 Cb -0.01 -3.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.24 1i35 s PRO 77 CO -0.00 -0.30 1.49 -0.22 0.04 0.00 0.00 177.00 178.01 1i35 h LYS 78 N 4.93 0.13 -0.86 4.56 1.63 -1.84 -2.66 116.57 122.47 1i35 h LYS 78 Ca -0.46 -0.04 0.22 0.00 -0.85 0.00 0.00 60.65 59.52 1i35 h LYS 78 Cb 1.22 -0.01 -0.15 0.00 -0.60 0.00 0.00 32.23 32.69 1i35 h LYS 78 CO 0.76 0.37 0.12 1.49 -3.45 0.00 0.00 179.45 178.73 1i35 h GLU 79 N -0.13 0.13 -0.60 1.90 4.57 -1.93 -3.40 114.58 115.13 1i35 h GLU 79 Ca 0.02 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.37 1i35 h GLU 79 Cb 0.30 -0.03 -0.21 0.00 -0.16 0.00 0.00 28.75 28.65 1i35 h GLU 79 CO 0.00 0.09 -0.05 0.21 -1.18 0.00 0.00 179.01 178.08 1i35 s LYS 80 N -6.01 0.34 0.00 1.92 2.20 -1.18 -5.18 119.74 111.84 1i35 s LYS 80 Ca -0.13 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1i35 s LYS 80 Cb 0.25 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.89 1i35 s LYS 80 CO 0.77 -0.41 0.00 -0.35 -0.36 0.00 0.00 175.35 175.00 1i35 n PRO 81 N 5.43 0.99 0.00 4.03 -0.04 -1.01 -4.52 135.00 139.88 1i35 n PRO 81 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1i35 n PRO 81 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1i35 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i35 n PRO 83 N 0.00 0.50 0.00 0.00 -0.02 -1.26 -4.78 135.00 129.44 1i35 n PRO 83 Ca 0.00 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1i35 n PRO 83 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1i35 n PRO 83 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1i35 n SER 84 N -1.16 0.00 0.00 2.55 3.41 -1.26 -4.94 113.62 112.22 1i35 n SER 84 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1i35 n SER 84 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1i35 n SER 84 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1i35 n PHE 85 N 0.00 0.00 -0.01 7.33 7.35 -1.26 -2.39 117.46 128.48 1i35 n PHE 85 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1i35 n PHE 85 Cb 0.00 -0.32 -0.00 0.00 0.35 0.00 0.00 39.48 39.51 1i35 n PHE 85 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1i35 h GLU 86 N 0.00 -0.00 0.00 -4.13 4.39 -1.79 -2.67 114.58 110.37 1i35 h GLU 86 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1i35 h GLU 86 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1i35 h GLU 86 CO 0.00 -0.00 0.01 0.22 -1.16 0.00 0.00 179.01 178.08 1i35 h ASP 87 N -0.14 0.00 0.05 1.42 3.58 -1.89 -2.90 116.42 116.54 1i35 h ASP 87 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1i35 h ASP 87 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1i35 h ASP 87 CO 0.00 0.00 -0.02 0.25 -2.88 0.00 0.00 179.24 176.59 1i35 h LEU 88 N 0.00 -0.06 -9.96 2.28 7.12 -1.58 -2.92 115.31 110.20 1i35 h LEU 88 Ca 0.00 0.00 -0.53 0.00 0.13 0.00 0.00 57.88 57.48 1i35 h LEU 88 Cb 0.03 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.14 1i35 h LEU 88 CO 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 178.44 178.24 1i35 s ARG 89 N -2.20 3.90 -2.09 1.25 1.04 -1.01 -1.83 118.95 118.00 1i35 s ARG 89 Ca -0.01 0.42 0.00 0.00 -1.04 0.00 0.00 55.73 55.10 1i35 s ARG 89 Cb 0.00 -2.66 0.00 0.00 -2.04 0.00 0.00 34.95 30.25 1i35 s ARG 89 CO 0.03 0.31 0.00 -2.13 -0.04 0.00 0.00 175.30 173.47 1i35 n ARG 90 N 0.01 -1.50 0.00 3.89 3.00 -1.26 -4.57 116.66 116.24 1i35 n ARG 90 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 57.85 59.02 1i35 n ARG 90 Cb 0.52 -5.60 0.00 0.00 0.00 0.00 0.00 32.46 27.39 1i35 n ARG 90 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1i35 n SER 91 N -1.44 0.00 -0.30 6.15 7.64 -1.25 -4.93 113.62 119.48 1i35 n SER 91 Ca -0.21 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.81 1i35 n SER 91 Cb 0.67 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 64.19 1i35 n SER 91 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1i35 h TRP 92 N 0.00 0.41 0.00 1.43 -0.00 -1.16 -3.40 115.95 113.23 1i35 h TRP 92 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1i35 h TRP 92 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.13 1i35 h TRP 92 CO 0.00 -0.22 0.00 0.39 -0.00 0.00 0.00 178.44 178.61 1i35 n GLU 93 N -5.22 2.63 -3.88 2.65 -0.58 -1.26 -4.92 120.64 110.06 1i35 n GLU 93 Ca 0.23 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.69 1i35 n GLU 93 Cb 0.73 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.48 1i35 n GLU 93 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1i35 s ILE 94 N 0.00 2.77 -2.32 -3.67 -5.25 -1.26 -5.17 121.20 106.29 1i35 s ILE 94 Ca 0.00 -4.19 0.29 0.00 -0.99 0.00 0.00 60.65 55.76 1i35 s ILE 94 Cb 0.00 -2.82 0.68 0.00 2.95 0.00 0.00 42.46 43.27 1i35 s ILE 94 CO 0.00 -1.02 1.92 -0.62 -1.79 0.00 0.00 174.94 173.43