#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 4.65 0.25 0.00 1.01 -1.26 0.10 121.20 125.95 1i35 s ILE 2 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.69 1i35 s ILE 2 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1i35 s ILE 2 CO 0.00 0.39 -0.14 -0.22 0.00 0.00 0.00 174.94 174.97 1i35 s LEU 3 N 1.03 2.79 -0.25 2.97 0.20 -0.86 -4.69 118.68 119.87 1i35 s LEU 3 Ca 0.04 -0.84 -0.13 0.00 0.69 0.00 0.00 54.13 53.90 1i35 s LEU 3 Cb -0.14 -1.35 -0.05 0.00 -0.43 0.00 0.00 46.19 44.22 1i35 s LEU 3 CO 0.03 0.05 0.26 -0.60 -0.29 0.00 0.00 176.35 175.80 1i35 s ARG 4 N -3.36 4.06 -0.12 1.98 3.52 -1.26 -1.19 118.95 122.58 1i35 s ARG 4 Ca 0.29 -0.12 -0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1i35 s ARG 4 Cb -0.06 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 1i35 s ARG 4 CO 0.16 -0.08 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.41 1i35 s PHE 5 N 1.46 2.87 -0.05 5.12 0.08 -0.54 -0.52 117.98 126.41 1i35 s PHE 5 Ca 0.11 -0.38 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 1i35 s PHE 5 Cb -0.15 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1i35 s PHE 5 CO 0.08 -0.02 -0.00 0.42 -0.10 0.00 0.00 175.22 175.59 1i35 s ILE 6 N 0.02 0.27 0.02 0.64 -1.09 0.20 -1.88 121.20 119.39 1i35 s ILE 6 Ca -0.03 0.09 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1i35 s ILE 6 Cb -0.14 -0.39 -0.02 0.00 -1.58 0.00 0.00 42.46 40.33 1i35 s ILE 6 CO 0.04 0.20 -0.01 0.00 -1.23 0.00 0.00 174.94 173.93 1i35 s ALA 7 N 1.39 0.11 0.00 9.38 0.00 -0.23 0.27 121.76 132.68 1i35 s ALA 7 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1i35 s ALA 7 Cb -0.13 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1i35 s ALA 7 CO -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 175.76 175.54 1i35 n ASN 9 N 0.00 0.92 0.00 0.00 0.23 -1.26 -4.08 115.26 111.07 1i35 n ASN 9 Ca 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 1i35 n ASN 9 Cb 0.00 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1i35 n ASN 9 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1i35 n GLY 10 N 1.73 0.00 3.70 4.83 0.00 -1.26 -0.74 105.19 113.44 1i35 n GLY 10 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1i35 n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i35 s GLN 11 N 0.00 4.47 -0.04 1.61 2.00 -1.00 -4.80 119.66 121.90 1i35 s GLN 11 Ca 0.00 1.29 0.01 0.00 -2.00 0.00 0.00 55.36 54.66 1i35 s GLN 11 Cb 0.00 -3.49 0.02 0.00 0.80 0.00 0.00 33.01 30.34 1i35 s GLN 11 CO 0.00 -0.14 -0.03 0.95 -0.50 0.00 0.00 175.29 175.57 1i35 s THR 12 N 1.39 0.43 0.06 -0.34 -4.23 -1.26 -1.06 115.64 110.63 1i35 s THR 12 Ca 0.47 -0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.83 1i35 s THR 12 Cb -0.19 -0.48 -0.00 0.00 1.34 0.00 0.00 72.50 73.17 1i35 s THR 12 CO 0.22 0.20 0.17 -0.13 -0.54 0.00 0.00 174.62 174.54 1i35 s ARG 13 N 0.93 0.74 -0.16 3.99 1.81 -0.78 -5.04 118.95 120.43 1i35 s ARG 13 Ca -0.11 -0.81 0.01 0.00 -1.72 0.00 0.00 55.73 53.10 1i35 s ARG 13 Cb -0.14 0.30 0.02 0.00 -0.45 0.00 0.00 34.95 34.68 1i35 s ARG 13 CO -0.00 -0.22 -0.16 0.00 -0.68 0.00 0.00 175.30 174.24 1i35 s ALA 14 N -3.18 2.00 0.05 2.13 0.00 -1.26 -1.47 121.76 120.03 1i35 s ALA 14 Ca -0.00 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1i35 s ALA 14 Cb 0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1i35 s ALA 14 CO -0.07 -0.37 -0.17 0.14 0.00 0.00 0.00 175.76 175.28 1i35 s VAL 15 N 1.42 1.40 0.78 0.00 -7.23 -0.33 -4.93 120.40 111.51 1i35 s VAL 15 Ca 0.05 -1.19 -0.17 0.00 -1.81 0.00 0.00 61.98 58.86 1i35 s VAL 15 Cb -0.13 -1.26 -0.12 0.00 0.56 0.00 0.00 36.38 35.43 1i35 s VAL 15 CO -0.11 0.04 -0.29 0.00 -0.31 0.00 0.00 175.10 174.43 1i35 n GLN 16 N 1.69 0.03 0.00 4.82 10.64 -1.26 -2.04 117.38 131.26 1i35 n GLN 16 Ca -0.18 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 1i35 n GLN 16 Cb 0.54 -1.18 0.00 0.00 -0.86 0.00 0.00 30.24 28.74 1i35 n GLN 16 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1i35 n SER 17 N 2.28 0.00 0.00 2.61 2.88 0.28 -4.55 113.62 117.12 1i35 n SER 17 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1i35 n SER 17 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1i35 n SER 17 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1i35 n ARG 18 N -0.13 0.00 -2.91 -1.46 0.63 -1.26 -1.02 116.66 110.51 1i35 n ARG 18 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 1i35 n ARG 18 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1i35 n ARG 18 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1i35 s GLY 19 N 0.00 2.63 0.43 5.14 0.00 -1.26 -4.88 107.32 109.38 1i35 s GLY 19 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1i35 s GLY 19 CO 0.00 0.72 0.00 1.34 0.00 0.00 0.00 173.10 175.16 1i35 n ASP 20 N 0.30 -6.15 -0.01 1.64 2.03 -1.26 -4.82 116.55 108.28 1i35 n ASP 20 Ca 0.02 1.34 0.06 0.00 0.52 0.00 0.00 54.79 56.73 1i35 n ASP 20 Cb 0.51 -3.40 -0.09 0.00 -0.72 0.00 0.00 41.12 37.42 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 -2.25 0.00 -0.03 -0.67 4.19 -1.20 -4.46 117.16 112.73 1i35 n TYR 21 Ca 0.00 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.09 1i35 n TYR 21 Cb 0.34 -0.26 -0.07 0.00 0.49 0.00 0.00 39.34 39.83 1i35 n TYR 21 CO 0.00 0.00 0.00 0.37 0.91 0.00 0.00 176.86 178.14 1i35 h GLN 22 N 0.00 0.17 -0.13 2.98 5.75 -1.91 0.58 115.11 122.55 1i35 h GLN 22 Ca 0.00 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1i35 h GLN 22 Cb 0.53 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1i35 h GLN 22 CO 0.00 0.48 0.05 0.87 -2.65 0.00 0.00 178.83 177.58 1i35 h LYS 23 N -0.15 0.20 -0.60 1.69 1.57 -1.90 0.84 116.57 118.22 1i35 h LYS 23 Ca 0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1i35 h LYS 23 Cb 0.41 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1i35 h LYS 23 CO 0.01 0.29 0.22 0.00 -0.57 0.00 0.00 179.45 179.40 1i35 h THR 24 N 0.06 1.23 -0.10 -0.16 1.03 -1.77 -0.16 112.91 113.04 1i35 h THR 24 Ca 0.04 -0.75 -0.02 0.00 -0.01 0.00 0.00 66.41 65.67 1i35 h THR 24 Cb 0.17 0.60 -0.00 0.00 -1.07 0.00 0.00 68.15 67.84 1i35 h THR 24 CO -0.00 0.29 -0.03 0.25 -0.01 0.00 0.00 175.52 176.02 1i35 h LEU 25 N 0.84 0.20 0.36 0.00 7.12 0.38 -1.26 115.31 122.95 1i35 h LEU 25 Ca 0.20 -0.38 -0.02 0.00 0.13 0.00 0.00 57.88 57.81 1i35 h LEU 25 Cb 0.23 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 1i35 h LEU 25 CO -0.01 0.53 -0.17 0.00 -0.13 0.00 0.00 178.44 178.66 1i35 h ALA 26 N 0.67 -0.48 -0.51 1.25 0.00 0.82 -2.83 119.26 118.18 1i35 h ALA 26 Ca 0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1i35 h ALA 26 Cb 0.45 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1i35 h ALA 26 CO 0.01 -0.64 -0.12 0.82 0.00 0.00 0.00 179.25 179.32 1i35 h ILE 27 N -0.74 1.27 -0.57 0.00 2.04 -1.13 -2.36 117.51 116.03 1i35 h ILE 27 Ca -0.05 -1.26 0.09 0.00 1.00 0.00 0.00 64.86 64.64 1i35 h ILE 27 Cb 0.50 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1i35 h ILE 27 CO 0.08 0.44 0.17 0.00 0.00 0.00 0.00 178.15 178.85 1i35 h ALA 28 N 0.99 0.70 -0.73 1.87 0.00 -1.28 -1.61 119.26 119.20 1i35 h ALA 28 Ca 0.13 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1i35 h ALA 28 Cb 0.67 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1i35 h ALA 28 CO 0.05 -0.24 0.20 -0.07 0.00 0.00 0.00 179.25 179.18 1i35 h LEU 29 N 0.33 1.08 -0.19 0.00 4.07 -1.35 0.71 115.31 119.96 1i35 h LEU 29 Ca 0.29 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1i35 h LEU 29 Cb 0.37 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1i35 h LEU 29 CO -0.32 1.02 0.12 0.50 -1.08 0.00 0.00 178.44 178.67 1i35 h LYS 30 N 1.09 0.26 0.00 1.13 3.64 -0.76 -1.82 116.57 120.12 1i35 h LYS 30 Ca 0.23 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1i35 h LYS 30 Cb 0.35 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1i35 h LYS 30 CO -0.00 0.21 -0.50 0.87 -2.27 0.00 0.00 179.45 177.76 1i35 h LYS 31 N 0.23 0.00 0.12 1.90 1.57 -1.47 -3.35 116.57 115.57 1i35 h LYS 31 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1i35 h LYS 31 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1i35 h LYS 31 CO -0.01 0.50 -0.06 0.35 -0.57 0.00 0.00 179.45 179.66 1i35 h PHE 32 N 0.00 -0.15 0.00 -1.35 3.04 -0.18 -3.46 116.94 114.84 1i35 h PHE 32 Ca -0.00 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 1i35 h PHE 32 Cb 1.16 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 1i35 h PHE 32 CO 0.00 -0.09 -1.25 0.43 -2.02 0.00 0.00 178.31 175.38 1i35 n SER 33 N -3.42 1.77 0.00 0.41 7.64 -0.93 -5.06 113.62 114.01 1i35 n SER 33 Ca -0.02 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1i35 n SER 33 Cb 0.06 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1i35 n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i35 n LEU 34 N -2.95 0.00 -3.78 -3.43 7.99 -0.75 -5.04 117.00 109.04 1i35 n LEU 34 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.79 1i35 n LEU 34 Cb 0.57 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.78 1i35 n LEU 34 CO 0.02 0.00 -0.02 -1.61 -1.51 0.00 0.00 177.39 174.27 1i35 s GLU 35 N 2.36 0.50 -1.05 3.23 2.02 -1.26 -3.82 118.70 120.68 1i35 s GLU 35 Ca 0.00 0.08 -0.07 0.00 0.02 0.00 0.00 54.97 55.00 1i35 s GLU 35 Cb 0.00 0.23 -0.06 0.00 0.10 0.00 0.00 34.13 34.39 1i35 s GLU 35 CO 0.00 -0.11 0.90 -0.25 0.02 0.00 0.00 175.26 175.83 1i35 n ASP 36 N 2.08 -6.60 0.31 -0.19 8.00 -1.26 -4.90 116.55 114.00 1i35 n ASP 36 Ca -0.18 -0.71 0.19 0.00 0.71 0.00 0.00 54.79 54.80 1i35 n ASP 36 Cb 0.57 -5.09 1.04 0.00 -0.02 0.00 0.00 41.12 37.62 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 1.29 -0.68 2.24 0.00 -1.89 -3.36 119.26 116.85 1i35 h ALA 37 Ca -0.60 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.51 1i35 h ALA 37 Cb 1.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1i35 h ALA 37 CO 0.44 -0.09 0.98 0.77 0.00 0.00 0.00 179.25 181.34 1i35 h SER 38 N 0.00 0.00 -1.20 0.00 0.02 -1.90 -0.50 113.55 109.97 1i35 h SER 38 Ca 0.01 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.21 1i35 h SER 38 Cb 0.17 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.57 1i35 h SER 38 CO -0.00 0.00 2.18 0.29 -1.14 0.00 0.00 176.83 178.16 1i35 n LYS 39 N -3.19 3.55 -3.83 3.45 5.02 -1.26 -4.80 118.16 117.10 1i35 n LYS 39 Ca 0.15 -3.41 -0.09 0.00 -2.02 0.00 0.00 58.31 52.95 1i35 n LYS 39 Cb 1.20 -2.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.21 1i35 n LYS 39 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1i35 s PHE 40 N 0.69 -0.07 0.06 2.13 0.40 -0.20 -3.75 117.98 117.24 1i35 s PHE 40 Ca 0.41 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 1i35 s PHE 40 Cb 0.10 0.49 -0.04 0.00 0.51 0.00 0.00 43.02 44.09 1i35 s PHE 40 CO -0.01 -1.07 -0.01 0.42 0.70 0.00 0.00 175.22 175.25 1i35 s ILE 41 N -3.92 0.21 0.20 0.64 1.09 0.48 -4.67 121.20 115.23 1i35 s ILE 41 Ca 0.12 -1.79 0.11 0.00 -1.10 0.00 0.00 60.65 58.00 1i35 s ILE 41 Cb -0.03 -1.55 -0.04 0.00 -1.06 0.00 0.00 42.46 39.77 1i35 s ILE 41 CO 0.03 -0.95 -0.23 -0.69 -0.10 0.00 0.00 174.94 173.00 1i35 s VAL 42 N -3.93 2.38 0.04 2.92 1.01 -1.08 -0.84 120.40 120.90 1i35 s VAL 42 Ca 0.08 -2.06 -0.02 0.00 0.00 0.00 0.00 61.98 59.98 1i35 s VAL 42 Cb 0.08 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1i35 s VAL 42 CO -0.09 -0.14 0.02 0.00 0.00 0.00 0.00 175.10 174.89 1i35 s VAL 44 N -2.73 0.00 0.12 0.00 1.01 -0.57 -0.04 120.40 118.19 1i35 s VAL 44 Ca -0.04 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1i35 s VAL 44 Cb -0.01 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1i35 s VAL 44 CO -0.05 0.00 0.11 -0.94 0.00 0.00 0.00 175.10 174.22 1i35 s SER 45 N -2.90 0.25 -0.13 3.32 1.04 -1.26 0.15 113.70 114.18 1i35 s SER 45 Ca 0.10 -1.04 0.16 0.00 0.48 0.00 0.00 55.95 55.64 1i35 s SER 45 Cb -0.04 0.32 -0.22 0.00 0.10 0.00 0.00 66.02 66.17 1i35 s SER 45 CO 0.04 -0.75 0.14 1.67 0.98 0.00 0.00 173.24 175.32 1i35 n GLN 46 N -0.09 1.10 0.00 4.02 0.00 -1.26 -4.86 117.38 116.29 1i35 n GLN 46 Ca -0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 1i35 n GLN 46 Cb 0.63 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.44 1i35 n GLN 46 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1i35 n SER 47 N -2.49 0.00 0.07 1.69 3.41 -1.26 -5.03 113.62 110.01 1i35 n SER 47 Ca -0.21 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 1i35 n SER 47 Cb 0.89 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.71 1i35 n SER 47 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i35 h SER 48 N 0.00 0.29 -4.23 4.04 4.64 -1.97 -3.46 113.55 112.87 1i35 h SER 48 Ca 0.00 -0.35 -0.52 0.00 -0.47 0.00 0.00 61.79 60.45 1i35 h SER 48 Cb 0.00 -0.09 0.14 0.00 -0.31 0.00 0.00 62.40 62.14 1i35 h SER 48 CO 0.00 1.28 0.34 -0.60 -0.87 0.00 0.00 176.83 176.99 1i35 s ARG 49 N -2.65 2.15 -0.04 4.77 6.06 -1.26 -5.04 118.95 122.94 1i35 s ARG 49 Ca -0.04 1.51 0.03 0.00 -2.50 0.00 0.00 55.73 54.72 1i35 s ARG 49 Cb 0.08 -1.86 -0.03 0.00 0.06 0.00 0.00 34.95 33.20 1i35 s ARG 49 CO 0.86 -1.78 -0.11 0.42 -2.50 0.00 0.00 175.30 172.19 1i35 s ILE 50 N -2.37 3.33 0.10 4.11 1.01 -1.26 -4.27 121.20 121.85 1i35 s ILE 50 Ca 0.68 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.73 1i35 s ILE 50 Cb -0.23 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1i35 s ILE 50 CO 0.48 0.54 -0.18 -0.75 0.00 0.00 0.00 174.94 175.03 1i35 s LYS 51 N -0.93 1.83 -0.29 2.79 2.47 0.12 -4.99 119.74 120.75 1i35 s LYS 51 Ca 0.13 -1.14 -0.11 0.00 -1.56 0.00 0.00 55.97 53.29 1i35 s LYS 51 Cb -0.11 -2.12 -0.04 0.00 -1.46 0.00 0.00 37.83 34.10 1i35 s LYS 51 CO 0.02 0.49 0.18 -0.51 0.16 0.00 0.00 175.35 175.70 1i35 s LEU 52 N -1.99 4.04 -0.28 5.43 1.02 -1.26 -1.52 118.68 124.13 1i35 s LEU 52 Ca 0.17 -0.15 -0.15 0.00 0.02 0.00 0.00 54.13 54.02 1i35 s LEU 52 Cb -0.11 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 1i35 s LEU 52 CO 0.09 -0.09 0.37 0.27 0.02 0.00 0.00 176.35 177.01 1i35 s ILE 53 N 1.72 5.17 0.00 -0.59 -4.36 0.49 -4.84 121.20 118.80 1i35 s ILE 53 Ca 0.07 0.50 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 1i35 s ILE 53 Cb -0.16 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 39.83 1i35 s ILE 53 CO 0.10 0.12 0.00 0.35 0.24 0.00 0.00 174.94 175.75 1i35 n THR 54 N 5.14 0.00 0.00 8.37 -2.24 -1.26 -2.63 114.28 121.66 1i35 n THR 54 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1i35 n THR 54 Cb 0.51 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.04 -0.78 1.02 -1.26 -4.69 120.64 114.96 1i35 n GLU 55 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1i35 n GLU 55 Cb 0.00 -0.01 -0.01 0.00 -0.02 0.00 0.00 31.44 31.40 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 -0.17 0.00 3.49 3.07 -1.98 -3.18 114.58 115.80 1i35 h GLU 56 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1i35 h GLU 56 Cb 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1i35 h GLU 56 CO 0.00 -0.11 0.00 0.93 -1.40 0.00 0.00 179.01 178.43 1i35 h GLU 57 N -0.85 0.00 -1.67 2.33 5.08 -2.00 -3.37 114.58 114.09 1i35 h GLU 57 Ca -0.02 0.00 0.52 0.00 -1.00 0.00 0.00 59.36 58.86 1i35 h GLU 57 Cb 0.14 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.28 1i35 h GLU 57 CO 0.03 0.00 1.15 0.27 -1.00 0.00 0.00 179.01 179.46 1i35 h PHE 58 N 0.00 0.25 -0.22 4.33 -0.00 -1.89 2.79 116.94 122.20 1i35 h PHE 58 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 57.97 57.96 1i35 h PHE 58 Cb 0.08 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 35.96 1i35 h PHE 58 CO 0.00 -0.13 0.03 1.57 -0.00 0.00 0.00 178.31 179.78 1i35 h LYS 59 N 0.01 0.36 -0.35 6.09 -0.00 -1.88 -2.46 116.57 118.34 1i35 h LYS 59 Ca 0.90 -0.10 -0.16 0.00 -0.00 0.00 0.00 60.65 61.29 1i35 h LYS 59 Cb 3.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 35.46 1i35 h LYS 59 CO -0.23 0.51 -0.42 0.37 -0.00 0.00 0.00 179.45 179.68 1i35 h GLN 60 N 0.15 0.87 -0.07 0.07 4.15 0.44 -2.66 115.11 118.06 1i35 h GLN 60 Ca 0.06 -0.47 -0.04 0.00 0.77 0.00 0.00 58.65 58.98 1i35 h GLN 60 Cb 0.33 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 1i35 h GLN 60 CO 0.00 1.12 -0.09 -0.84 -1.93 0.00 0.00 178.83 177.09 1i35 h ILE 61 N 0.70 1.38 -0.13 2.39 -0.00 -0.40 0.31 117.51 121.77 1i35 h ILE 61 Ca 0.05 -1.29 -0.06 0.00 -0.00 0.00 0.00 64.86 63.56 1i35 h ILE 61 Cb 1.00 2.07 -0.00 0.00 -0.00 0.00 0.00 36.82 39.89 1i35 h ILE 61 CO 0.10 0.36 -0.15 0.00 -0.00 0.00 0.00 178.15 178.46 1i35 n PHE 63 N -4.57 0.43 0.00 0.00 3.01 -1.00 -4.26 117.46 111.06 1i35 n PHE 63 Ca -0.07 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1i35 n PHE 63 Cb 0.36 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 1i35 n PHE 63 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1i35 n ASN 64 N -1.86 0.00 0.00 4.37 5.03 0.11 -4.78 115.26 118.13 1i35 n ASN 64 Ca 0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1i35 n ASN 64 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 1i35 n ASN 64 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1i35 n SER 65 N 2.33 0.00 -4.73 6.41 3.41 -1.02 -4.58 113.62 115.44 1i35 n SER 65 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1i35 n SER 65 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1i35 n SER 65 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1i35 s SER 66 N -4.00 6.73 0.15 4.04 0.15 -1.26 -4.81 113.70 114.70 1i35 s SER 66 Ca 0.00 2.52 -0.15 0.00 0.70 0.00 0.00 55.95 59.02 1i35 s SER 66 Cb 0.00 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1i35 s SER 66 CO 0.00 -0.68 0.41 -0.44 1.20 0.00 0.00 173.24 173.73 1i35 s SER 67 N 0.68 -0.19 0.00 5.45 0.01 -1.26 -5.04 113.70 113.36 1i35 s SER 67 Ca 0.62 -0.44 0.22 0.00 1.31 0.00 0.00 55.95 57.65 1i35 s SER 67 Cb -0.40 0.49 0.92 0.00 0.21 0.00 0.00 66.02 67.24 1i35 s SER 67 CO 0.37 -0.90 1.69 -0.81 0.41 0.00 0.00 173.24 173.99 1i35 n PRO 68 N -0.24 0.00 0.00 12.44 -0.04 -1.26 -4.97 135.00 140.93 1i35 n PRO 68 Ca -0.13 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1i35 n PRO 68 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1i35 n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1i35 n GLU 69 N -1.51 0.00 -4.53 0.54 0.28 -1.26 -5.15 120.64 109.01 1i35 n GLU 69 Ca 0.05 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.79 1i35 n GLU 69 Cb 0.25 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.05 1i35 n GLU 69 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1i35 s ARG 70 N 0.00 1.98 0.24 3.44 1.81 -1.26 -5.11 118.95 120.05 1i35 s ARG 70 Ca 0.00 -2.22 0.00 0.00 -1.72 0.00 0.00 55.73 51.79 1i35 s ARG 70 Cb 0.00 -0.60 0.00 0.00 -0.45 0.00 0.00 34.95 33.90 1i35 s ARG 70 CO 0.00 -0.52 0.00 -0.25 -0.68 0.00 0.00 175.30 173.85 1i35 n ASP 71 N -1.41 -0.36 -2.74 0.23 8.00 -1.26 -4.90 116.55 114.12 1i35 n ASP 71 Ca -0.07 0.41 0.02 0.00 0.71 0.00 0.00 54.79 55.87 1i35 n ASP 71 Cb 0.65 0.52 0.01 0.00 -0.02 0.00 0.00 41.12 42.27 1i35 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i35 s ARG 72 N -2.00 0.06 0.75 -1.24 1.04 -1.26 -4.60 118.95 111.71 1i35 s ARG 72 Ca 0.00 -0.01 -0.09 0.00 -1.04 0.00 0.00 55.73 54.59 1i35 s ARG 72 Cb 0.00 0.01 0.07 0.00 -2.04 0.00 0.00 34.95 32.99 1i35 s ARG 72 CO 0.00 -0.09 1.09 -0.48 -0.04 0.00 0.00 175.30 175.78 1i35 s LEU 73 N 2.09 2.69 0.03 -1.89 0.05 0.32 -4.82 118.68 117.15 1i35 s LEU 73 Ca 0.16 0.56 0.05 0.00 0.05 0.00 0.00 54.13 54.95 1i35 s LEU 73 Cb 0.04 -3.12 -0.02 0.00 -2.05 0.00 0.00 46.19 41.04 1i35 s LEU 73 CO -0.17 -1.76 -0.15 0.27 -0.55 0.00 0.00 176.35 173.99 1i35 s ILE 74 N -3.39 1.15 -0.10 1.48 -4.36 0.95 0.59 121.20 117.51 1i35 s ILE 74 Ca 0.61 -0.95 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1i35 s ILE 74 Cb -0.10 -1.02 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 1i35 s ILE 74 CO 0.47 0.07 -0.09 -0.63 0.24 0.00 0.00 174.94 174.99 1i35 s ILE 75 N -0.76 3.44 -0.03 8.37 -1.09 0.75 -1.04 121.20 130.83 1i35 s ILE 75 Ca 0.03 -0.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 1i35 s ILE 75 Cb -0.07 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1i35 s ILE 75 CO 0.01 0.55 -0.11 0.68 -1.23 0.00 0.00 174.94 174.85 1i35 s VAL 76 N -0.23 0.92 -0.21 2.92 -7.23 -0.02 -2.85 120.40 113.69 1i35 s VAL 76 Ca 0.02 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 1i35 s VAL 76 Cb -0.13 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1i35 s VAL 76 CO 0.03 0.28 0.89 -0.81 -0.31 0.00 0.00 175.10 175.17 1i35 n PRO 77 N 3.26 0.99 0.00 4.82 -0.04 -1.26 0.18 135.00 142.95 1i35 n PRO 77 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1i35 n PRO 77 Cb 0.54 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1i35 n PRO 77 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1i35 n LYS 78 N 0.40 0.00 -0.20 0.54 0.00 -1.25 -4.22 118.16 113.43 1i35 n LYS 78 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 58.31 58.48 1i35 n LYS 78 Cb 0.44 0.00 0.29 0.00 0.00 0.00 0.00 35.03 35.76 1i35 n LYS 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1i35 n GLU 79 N 0.00 -0.02 -2.73 1.64 2.13 -1.26 -3.53 120.64 116.87 1i35 n GLU 79 Ca 0.00 0.55 0.02 0.00 0.66 0.00 0.00 57.16 58.38 1i35 n GLU 79 Cb 0.00 -1.07 0.01 0.00 0.27 0.00 0.00 31.44 30.65 1i35 n GLU 79 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1i35 s LYS 80 N -4.34 0.11 0.00 5.31 2.36 -1.26 -5.18 119.74 116.74 1i35 s LYS 80 Ca -0.03 -0.03 0.00 0.00 -2.55 0.00 0.00 55.97 53.35 1i35 s LYS 80 Cb 0.13 0.01 0.00 0.00 -1.05 0.00 0.00 37.83 36.93 1i35 s LYS 80 CO 0.35 -0.16 0.00 -0.35 1.55 0.00 0.00 175.35 176.74 1i35 n PRO 81 N 3.64 1.40 0.00 4.03 -0.04 -1.23 -4.67 135.00 138.12 1i35 n PRO 81 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1i35 n PRO 81 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 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 1.08 0.00 0.00 -0.02 -1.26 -4.24 135.00 130.56 1i35 n PRO 83 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1i35 n PRO 83 Cb 0.00 -3.15 0.00 0.00 -0.02 0.00 0.00 33.50 30.33 1i35 n PRO 83 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i35 n SER 84 N 14.32 0.00 -0.15 2.55 7.64 -1.26 -4.99 113.62 131.73 1i35 n SER 84 Ca 0.39 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.27 1i35 n SER 84 Cb 0.46 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.68 1i35 n SER 84 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1i35 n PHE 85 N 0.00 0.03 -2.10 1.43 3.72 -1.26 -1.80 117.46 117.48 1i35 n PHE 85 Ca 0.00 0.49 -0.42 0.00 -0.05 0.00 0.00 57.45 57.47 1i35 n PHE 85 Cb 0.00 -0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 37.85 1i35 n PHE 85 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1i35 s GLU 86 N -5.39 4.27 0.00 -1.08 1.03 0.08 -2.99 118.70 114.61 1i35 s GLU 86 Ca -0.06 2.14 0.00 0.00 0.03 0.00 0.00 54.97 57.09 1i35 s GLU 86 Cb 0.08 -3.38 0.00 0.00 -0.80 0.00 0.00 34.13 30.04 1i35 s GLU 86 CO 0.29 -0.55 0.00 -3.47 -1.33 0.00 0.00 175.26 170.20 1i35 n ASP 87 N 4.60 0.00 0.06 0.83 2.03 -1.25 -4.53 116.55 118.28 1i35 n ASP 87 Ca 0.13 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.40 1i35 n ASP 87 Cb 0.42 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 1i35 n ASP 87 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1i35 h LEU 88 N 0.00 -0.38 0.00 -2.67 -0.00 -1.47 -3.22 115.31 107.56 1i35 h LEU 88 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1i35 h LEU 88 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1i35 h LEU 88 CO 0.00 -0.16 0.00 -1.14 -0.00 0.00 0.00 178.44 177.14 1i35 n ARG 89 N -3.16 0.00 -3.13 1.13 3.00 -1.16 -1.80 116.66 111.55 1i35 n ARG 89 Ca -0.03 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.37 1i35 n ARG 89 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.56 1i35 n ARG 89 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1i35 s ARG 90 N 0.00 3.87 -0.49 -0.14 1.04 -1.26 -4.64 118.95 117.33 1i35 s ARG 90 Ca 0.00 -2.48 -0.18 0.00 -1.04 0.00 0.00 55.73 52.03 1i35 s ARG 90 Cb 0.00 -4.75 0.02 0.00 -2.04 0.00 0.00 34.95 28.19 1i35 s ARG 90 CO 0.00 -1.53 0.63 -1.13 -0.04 0.00 0.00 175.30 173.23 1i35 n SER 91 N 4.78 -7.40 0.00 -2.89 3.41 -1.09 -4.70 113.62 105.73 1i35 n SER 91 Ca 0.25 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1i35 n SER 91 Cb 0.45 -4.59 0.00 0.00 -0.26 0.00 0.00 64.21 59.80 1i35 n SER 91 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1i35 n TRP 92 N -0.55 0.00 0.00 7.33 2.14 -0.74 -4.20 117.44 121.41 1i35 n TRP 92 Ca 0.05 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.62 1i35 n TRP 92 Cb 0.51 -0.44 0.00 0.00 -0.81 0.00 0.00 31.31 30.58 1i35 n TRP 92 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1i35 n GLU 93 N -3.37 0.00 -0.03 -2.67 1.02 -1.26 -5.00 120.64 109.33 1i35 n GLU 93 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1i35 n GLU 93 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1i35 n GLU 93 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1i35 n ILE 94 N -0.59 0.38 -1.78 -3.67 0.00 -1.26 -5.25 119.36 107.19 1i35 n ILE 94 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 62.75 62.60 1i35 n ILE 94 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 39.64 38.89 1i35 n ILE 94 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76