#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 4.27 0.30 0.00 1.09 -1.26 -0.54 121.20 125.06 1i35 s ILE 2 Ca 0.00 1.59 0.10 0.00 -1.10 0.00 0.00 60.65 61.24 1i35 s ILE 2 Cb 0.00 -4.02 -0.06 0.00 -1.06 0.00 0.00 42.46 37.32 1i35 s ILE 2 CO 0.00 -0.01 -0.13 -1.48 -0.10 0.00 0.00 174.94 173.22 1i35 s LEU 3 N 2.30 2.62 -0.28 2.97 2.34 -0.37 -3.25 118.68 125.02 1i35 s LEU 3 Ca 0.56 -1.12 -0.17 0.00 0.06 0.00 0.00 54.13 53.46 1i35 s LEU 3 Cb -0.24 -0.95 -0.03 0.00 -0.56 0.00 0.00 46.19 44.42 1i35 s LEU 3 CO 0.21 -0.13 0.48 -0.60 -1.06 0.00 0.00 176.35 175.25 1i35 s ARG 4 N -3.60 3.97 -0.13 1.48 6.06 -1.26 -1.91 118.95 123.57 1i35 s ARG 4 Ca 0.30 0.16 -0.04 0.00 -2.50 0.00 0.00 55.73 53.65 1i35 s ARG 4 Cb -0.00 -3.68 -0.03 0.00 0.06 0.00 0.00 34.95 31.29 1i35 s ARG 4 CO 0.14 -0.38 0.00 -0.06 -2.50 0.00 0.00 175.30 172.50 1i35 s PHE 5 N 2.26 3.13 -0.06 5.12 0.08 0.18 -0.72 117.98 127.97 1i35 s PHE 5 Ca 0.19 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.26 1i35 s PHE 5 Cb -0.16 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1i35 s PHE 5 CO 0.10 0.24 -0.09 0.42 -0.10 0.00 0.00 175.22 175.78 1i35 s ILE 6 N -0.21 0.94 0.03 0.64 -1.09 0.63 -0.02 121.20 122.12 1i35 s ILE 6 Ca 0.05 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 1i35 s ILE 6 Cb -0.12 -0.89 -0.02 0.00 -1.58 0.00 0.00 42.46 39.85 1i35 s ILE 6 CO 0.02 0.32 -0.06 0.00 -1.23 0.00 0.00 174.94 173.99 1i35 s ALA 7 N 0.82 0.39 0.00 9.38 0.00 -0.70 0.22 121.76 131.87 1i35 s ALA 7 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1i35 s ALA 7 Cb -0.15 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1i35 s ALA 7 CO 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 175.76 175.72 1i35 h ASN 9 N 0.00 0.10 0.00 0.00 7.08 -1.94 -3.42 115.58 117.41 1i35 h ASN 9 Ca 0.00 -0.96 0.00 0.00 -3.08 0.00 0.00 56.30 52.26 1i35 h ASN 9 Cb 0.00 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.21 1i35 h ASN 9 CO 0.00 1.12 0.00 0.61 -2.08 0.00 0.00 177.43 177.08 1i35 n GLY 10 N 1.61 0.00 3.77 9.14 0.00 -1.22 -2.39 105.19 116.10 1i35 n GLY 10 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.41 -0.09 1.61 -1.52 -1.16 -4.80 119.66 118.12 1i35 s GLN 11 Ca 0.00 2.12 0.03 0.00 -1.95 0.00 0.00 55.36 55.57 1i35 s GLN 11 Cb 0.00 -3.09 0.01 0.00 -0.22 0.00 0.00 33.01 29.71 1i35 s GLN 11 CO 0.00 -0.11 -0.19 0.95 -0.25 0.00 0.00 175.29 175.69 1i35 s THR 12 N -1.15 1.67 -0.05 -0.19 -4.23 -1.26 -1.73 115.64 108.70 1i35 s THR 12 Ca 0.48 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 60.14 1i35 s THR 12 Cb -0.38 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.01 1i35 s THR 12 CO 0.50 0.47 0.17 -0.13 -0.54 0.00 0.00 174.62 175.09 1i35 s ARG 13 N 0.48 0.27 -0.24 3.99 3.00 0.98 -5.00 118.95 122.43 1i35 s ARG 13 Ca -0.17 0.09 -0.05 0.00 0.00 0.00 0.00 55.73 55.60 1i35 s ARG 13 Cb -0.17 0.12 -0.01 0.00 0.00 0.00 0.00 34.95 34.89 1i35 s ARG 13 CO 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 175.30 175.33 1i35 s ALA 14 N -0.26 2.95 0.03 2.13 0.00 -1.26 0.47 121.76 125.82 1i35 s ALA 14 Ca -0.03 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 50.80 1i35 s ALA 14 Cb -0.03 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1i35 s ALA 14 CO 0.01 -0.51 -0.16 0.14 0.00 0.00 0.00 175.76 175.23 1i35 s VAL 15 N 1.52 2.93 -0.60 0.00 -7.23 -0.80 -4.87 120.40 111.35 1i35 s VAL 15 Ca 0.06 -1.10 -0.25 0.00 -1.81 0.00 0.00 61.98 58.87 1i35 s VAL 15 Cb -0.15 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.60 1i35 s VAL 15 CO -0.00 0.36 1.04 0.00 -0.31 0.00 0.00 175.10 176.19 1i35 s GLN 16 N -1.40 3.31 0.14 4.82 -2.07 -1.26 -1.24 119.66 121.97 1i35 s GLN 16 Ca 0.15 -0.25 -0.24 0.00 -1.82 0.00 0.00 55.36 53.20 1i35 s GLN 16 Cb -0.11 -4.09 -0.08 0.00 -1.09 0.00 0.00 33.01 27.65 1i35 s GLN 16 CO 0.05 -1.67 0.73 -1.54 -1.32 0.00 0.00 175.29 171.54 1i35 s SER 17 N 3.12 7.31 -0.00 12.60 1.04 0.30 -4.86 113.70 133.21 1i35 s SER 17 Ca 0.32 1.55 0.03 0.00 0.48 0.00 0.00 55.95 58.33 1i35 s SER 17 Cb -0.12 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1i35 s SER 17 CO 0.18 0.22 0.09 0.54 0.98 0.00 0.00 173.24 175.26 1i35 n ARG 18 N 1.65 3.39 0.00 4.02 5.12 -1.26 0.38 116.66 129.96 1i35 n ARG 18 Ca -0.07 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1i35 n ARG 18 Cb 0.49 -0.82 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 1i35 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i35 n GLY 19 N 1.64 5.14 0.00 -0.13 0.00 -1.26 -4.96 105.19 105.62 1i35 n GLY 19 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1i35 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i35 n ASP 20 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.95 116.55 119.94 1i35 n ASP 20 Ca 0.00 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1i35 n ASP 20 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1i35 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i35 n TYR 21 N -1.02 0.00 -0.07 1.24 4.19 -1.25 -4.78 117.16 115.47 1i35 n TYR 21 Ca 0.00 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.10 1i35 n TYR 21 Cb 0.00 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.79 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 0.36 -0.15 2.98 5.75 -1.88 0.53 115.11 122.69 1i35 h GLN 22 Ca 0.00 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1i35 h GLN 22 Cb 0.00 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1i35 h GLN 22 CO 0.00 0.49 0.07 0.87 -2.65 0.00 0.00 178.83 177.62 1i35 h LYS 23 N 0.17 0.22 -0.64 1.69 1.79 -1.97 1.13 116.57 118.97 1i35 h LYS 23 Ca 0.07 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 1i35 h LYS 23 Cb 0.30 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1i35 h LYS 23 CO 0.00 0.26 0.10 0.00 -1.08 0.00 0.00 179.45 178.74 1i35 h THR 24 N 0.12 1.26 -0.23 -0.16 1.03 -1.93 -0.87 112.91 112.13 1i35 h THR 24 Ca 0.05 -1.00 -0.08 0.00 -0.01 0.00 0.00 66.41 65.37 1i35 h THR 24 Cb 0.12 0.65 -0.00 0.00 -1.07 0.00 0.00 68.15 67.84 1i35 h THR 24 CO -0.01 0.37 -0.16 0.25 -0.01 0.00 0.00 175.52 175.97 1i35 h LEU 25 N 0.98 0.53 0.35 0.00 7.12 0.41 -0.23 115.31 124.47 1i35 h LEU 25 Ca 0.20 -0.44 -0.02 0.00 0.13 0.00 0.00 57.88 57.75 1i35 h LEU 25 Cb 0.42 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1i35 h LEU 25 CO 0.01 0.86 -0.17 0.00 -0.13 0.00 0.00 178.44 179.01 1i35 h ALA 26 N 0.69 -0.47 -0.21 1.25 0.00 0.15 -2.71 119.26 117.97 1i35 h ALA 26 Ca 0.04 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1i35 h ALA 26 Cb 0.68 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1i35 h ALA 26 CO 0.04 -0.61 -0.26 0.82 0.00 0.00 0.00 179.25 179.24 1i35 h ILE 27 N -0.77 1.26 -0.28 0.00 2.04 -1.26 -2.58 117.51 115.93 1i35 h ILE 27 Ca -0.05 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.62 1i35 h ILE 27 Cb 0.51 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 1i35 h ILE 27 CO 0.08 0.39 -0.05 0.00 0.00 0.00 0.00 178.15 178.57 1i35 h ALA 28 N 1.38 0.21 -0.32 1.87 0.00 -1.02 -2.06 119.26 119.32 1i35 h ALA 28 Ca 0.05 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1i35 h ALA 28 Cb 0.65 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1i35 h ALA 28 CO 0.05 -0.45 -0.16 1.25 0.00 0.00 0.00 179.25 179.93 1i35 h LEU 29 N 0.03 0.57 -0.43 0.00 7.12 -1.31 0.79 115.31 122.07 1i35 h LEU 29 Ca 0.14 -0.17 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1i35 h LEU 29 Cb 0.20 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 1i35 h LEU 29 CO -0.27 0.76 0.26 0.50 -0.13 0.00 0.00 178.44 179.55 1i35 h LYS 30 N 0.53 0.58 -0.02 1.25 3.64 -0.98 -1.24 116.57 120.33 1i35 h LYS 30 Ca 0.09 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1i35 h LYS 30 Cb 0.59 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1i35 h LYS 30 CO 0.04 0.43 -0.66 -0.22 -2.27 0.00 0.00 179.45 176.77 1i35 h LYS 31 N 0.57 0.09 0.05 1.90 3.64 -1.40 -3.39 116.57 118.02 1i35 h LYS 31 Ca 0.15 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1i35 h LYS 31 Cb -0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1i35 h LYS 31 CO -0.03 0.72 -0.02 0.35 -2.27 0.00 0.00 179.45 178.20 1i35 h PHE 32 N 0.07 -0.06 0.00 1.91 3.04 0.33 -3.47 116.94 118.76 1i35 h PHE 32 Ca -0.01 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 1i35 h PHE 32 Cb 1.18 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 1i35 h PHE 32 CO 0.01 -0.04 -1.23 -1.13 -2.02 0.00 0.00 178.31 173.90 1i35 n SER 33 N -2.91 0.54 0.00 0.41 3.41 -0.83 -5.06 113.62 109.18 1i35 n SER 33 Ca -0.01 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1i35 n SER 33 Cb 0.03 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1i35 n SER 33 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i35 n LEU 34 N -3.15 0.00 -3.67 1.04 4.32 -0.96 -5.05 117.00 109.55 1i35 n LEU 34 Ca -0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.76 1i35 n LEU 34 Cb 0.56 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.28 1i35 n LEU 34 CO 0.01 0.00 0.22 -1.61 -1.22 0.00 0.00 177.39 174.78 1i35 s GLU 35 N 3.91 0.75 -0.88 3.23 2.02 -1.26 -3.75 118.70 122.72 1i35 s GLU 35 Ca 0.00 0.33 -0.05 0.00 0.02 0.00 0.00 54.97 55.27 1i35 s GLU 35 Cb 0.00 0.35 -0.06 0.00 0.10 0.00 0.00 34.13 34.53 1i35 s GLU 35 CO 0.00 -0.18 0.77 -0.25 0.02 0.00 0.00 175.26 175.62 1i35 n ASP 36 N 1.83 -5.71 0.33 -0.19 9.92 -1.26 -4.90 116.55 116.57 1i35 n ASP 36 Ca -0.17 -0.59 0.21 0.00 -0.53 0.00 0.00 54.79 53.71 1i35 n ASP 36 Cb 0.56 -4.43 1.13 0.00 -0.64 0.00 0.00 41.12 37.75 1i35 n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i35 h ALA 37 N -0.03 1.07 -0.90 2.24 0.00 -1.84 -3.36 119.26 116.44 1i35 h ALA 37 Ca -0.51 0.00 0.26 0.00 0.00 0.00 0.00 54.91 54.66 1i35 h ALA 37 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1i35 h ALA 37 CO 0.37 -0.07 1.18 0.66 0.00 0.00 0.00 179.25 181.39 1i35 h SER 38 N 0.00 0.00 -2.03 0.00 4.64 -1.88 2.91 113.55 117.20 1i35 h SER 38 Ca 0.00 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.53 1i35 h SER 38 Cb 0.14 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.99 1i35 h SER 38 CO 0.00 0.00 1.27 0.29 -0.87 0.00 0.00 176.83 177.52 1i35 n LYS 39 N -3.17 5.11 -3.90 4.77 5.02 -1.26 -4.84 118.16 119.90 1i35 n LYS 39 Ca 0.20 -4.36 -0.10 0.00 -2.02 0.00 0.00 58.31 52.03 1i35 n LYS 39 Cb 1.45 -2.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 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 -3.73 0.13 0.23 2.13 0.40 0.97 -2.97 117.98 115.14 1i35 s PHE 40 Ca 0.43 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.46 1i35 s PHE 40 Cb 0.21 -0.09 -0.05 0.00 0.51 0.00 0.00 43.02 43.59 1i35 s PHE 40 CO -0.14 -0.35 -0.05 0.42 0.70 0.00 0.00 175.22 175.79 1i35 s ILE 41 N -2.22 1.35 0.23 0.64 1.09 0.78 -4.58 121.20 118.49 1i35 s ILE 41 Ca -0.08 -2.09 0.09 0.00 -1.10 0.00 0.00 60.65 57.47 1i35 s ILE 41 Cb -0.03 -2.28 -0.05 0.00 -1.06 0.00 0.00 42.46 39.04 1i35 s ILE 41 CO -0.03 -0.40 -0.17 -0.69 -0.10 0.00 0.00 174.94 173.55 1i35 s VAL 42 N -3.21 2.04 -0.02 2.92 1.01 -1.11 0.62 120.40 122.65 1i35 s VAL 42 Ca 0.27 -2.24 -0.04 0.00 0.00 0.00 0.00 61.98 59.97 1i35 s VAL 42 Cb 0.04 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1i35 s VAL 42 CO 0.08 -0.47 0.09 0.00 0.00 0.00 0.00 175.10 174.81 1i35 s VAL 44 N -0.46 1.50 0.28 0.00 1.01 -1.12 -0.22 120.40 121.40 1i35 s VAL 44 Ca -0.05 -2.12 -0.13 0.00 0.00 0.00 0.00 61.98 59.68 1i35 s VAL 44 Cb -0.03 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.13 1i35 s VAL 44 CO 0.00 -0.42 0.65 -1.54 0.00 0.00 0.00 175.10 173.79 1i35 n SER 45 N -0.46 -1.74 0.00 3.32 3.41 -1.26 -2.01 113.62 114.88 1i35 n SER 45 Ca -0.06 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1i35 n SER 45 Cb 0.62 2.88 0.00 0.00 -0.26 0.00 0.00 64.21 67.46 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 -0.45 1.13 0.00 4.33 7.27 -1.26 -4.75 117.38 123.66 1i35 n GLN 46 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.01 1i35 n GLN 46 Cb 0.47 -0.27 0.00 0.00 2.41 0.00 0.00 30.24 32.85 1i35 n GLN 46 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1i35 n SER 47 N -0.32 0.00 0.10 1.69 7.64 -1.26 -5.03 113.62 116.44 1i35 n SER 47 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1i35 n SER 47 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1i35 n SER 47 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1i35 h SER 48 N 0.00 0.63 -3.43 6.43 4.64 -1.96 -3.47 113.55 116.39 1i35 h SER 48 Ca 0.00 -0.78 -0.54 0.00 -0.47 0.00 0.00 61.79 60.00 1i35 h SER 48 Cb 0.00 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1i35 h SER 48 CO 0.00 1.63 0.01 0.00 -0.87 0.00 0.00 176.83 177.60 1i35 s ARG 49 N -2.61 4.13 -0.01 4.77 1.70 -1.26 -5.03 118.95 120.64 1i35 s ARG 49 Ca -0.10 0.70 0.07 0.00 -0.47 0.00 0.00 55.73 55.92 1i35 s ARG 49 Cb 0.05 -2.94 -0.02 0.00 -0.57 0.00 0.00 34.95 31.47 1i35 s ARG 49 CO 0.89 0.46 -0.21 -1.50 -1.08 0.00 0.00 175.30 173.86 1i35 s ILE 50 N -1.45 2.47 -0.02 4.99 -1.16 -1.26 -4.44 121.20 120.33 1i35 s ILE 50 Ca 0.39 -1.03 -0.01 0.00 -0.51 0.00 0.00 60.65 59.49 1i35 s ILE 50 Cb -0.16 -1.93 -0.04 0.00 0.61 0.00 0.00 42.46 40.94 1i35 s ILE 50 CO 0.20 0.53 0.07 -0.54 -2.81 0.00 0.00 174.94 172.39 1i35 s LYS 51 N -0.83 3.07 0.58 3.50 3.01 -0.85 -4.99 119.74 123.23 1i35 s LYS 51 Ca 0.11 -0.46 -0.18 0.00 -1.01 0.00 0.00 55.97 54.44 1i35 s LYS 51 Cb -0.10 -2.87 -0.04 0.00 -1.01 0.00 0.00 37.83 33.81 1i35 s LYS 51 CO 0.01 0.66 1.11 -0.48 0.51 0.00 0.00 175.35 177.15 1i35 s LEU 52 N -1.60 3.61 -0.03 3.17 0.05 -1.26 -2.80 118.68 119.82 1i35 s LEU 52 Ca 0.21 2.06 0.01 0.00 0.05 0.00 0.00 54.13 56.47 1i35 s LEU 52 Cb -0.12 -4.56 0.01 0.00 -2.05 0.00 0.00 46.19 39.47 1i35 s LEU 52 CO 0.12 -1.32 -0.05 -0.63 -0.55 0.00 0.00 176.35 173.93 1i35 s ILE 53 N -2.05 0.49 0.00 1.48 1.09 0.14 -4.86 121.20 117.48 1i35 s ILE 53 Ca 0.69 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 60.08 1i35 s ILE 53 Cb -0.21 -0.48 0.00 0.00 -1.06 0.00 0.00 42.46 40.71 1i35 s ILE 53 CO 0.32 0.18 0.00 0.35 -0.10 0.00 0.00 174.94 175.70 1i35 n THR 54 N 3.60 0.00 0.00 2.92 -2.24 -1.26 -2.73 114.28 114.57 1i35 n THR 54 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1i35 n THR 54 Cb 0.53 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.06 0.00 0.09 -0.78 1.02 -1.26 -4.78 120.64 114.87 1i35 n GLU 55 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1i35 n GLU 55 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1i35 n GLU 55 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1i35 h GLU 56 N 0.00 -0.28 0.00 3.49 9.09 -2.00 -3.32 114.58 121.57 1i35 h GLU 56 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1i35 h GLU 56 Cb 0.00 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1i35 h GLU 56 CO 0.00 0.10 0.70 1.05 0.05 0.00 0.00 179.01 180.91 1i35 h GLU 57 N -0.87 0.00 -0.37 1.06 9.09 -1.92 -3.17 114.58 118.39 1i35 h GLU 57 Ca -0.03 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.45 1i35 h GLU 57 Cb 0.51 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.52 1i35 h GLU 57 CO 0.05 0.00 -0.38 0.35 0.05 0.00 0.00 179.01 179.08 1i35 h PHE 58 N 0.00 -1.08 0.02 2.06 3.57 -1.90 1.49 116.94 121.10 1i35 h PHE 58 Ca 0.00 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1i35 h PHE 58 Cb 1.39 0.53 0.00 0.00 2.79 0.00 0.00 35.95 40.66 1i35 h PHE 58 CO 0.00 -0.42 -0.01 0.87 -2.23 0.00 0.00 178.31 176.52 1i35 h LYS 59 N -0.31 -0.02 -0.21 1.11 1.57 -1.86 -2.72 116.57 114.13 1i35 h LYS 59 Ca 0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1i35 h LYS 59 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1i35 h LYS 59 CO -0.54 0.58 -0.27 1.96 -0.57 0.00 0.00 179.45 180.61 1i35 h GLN 60 N -0.63 0.55 -0.02 3.15 1.08 -1.62 -0.16 115.11 117.45 1i35 h GLN 60 Ca -0.00 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 56.86 1i35 h GLN 60 Cb 0.60 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1i35 h GLN 60 CO 0.00 0.91 -0.07 0.82 -0.95 0.00 0.00 178.83 179.54 1i35 h ILE 61 N 0.22 1.47 0.01 2.54 5.03 0.19 0.47 117.51 127.45 1i35 h ILE 61 Ca 0.02 -1.50 -0.00 0.00 -0.12 0.00 0.00 64.86 63.27 1i35 h ILE 61 Cb 0.84 2.41 0.00 0.00 -3.03 0.00 0.00 36.82 37.05 1i35 h ILE 61 CO 0.06 0.40 -0.01 0.00 -0.68 0.00 0.00 178.15 177.93 1i35 h PHE 63 N -0.62 0.44 0.00 0.00 -1.00 -1.14 -3.47 116.94 111.15 1i35 h PHE 63 Ca -0.00 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.49 1i35 h PHE 63 Cb 0.60 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1i35 h PHE 63 CO 0.13 1.16 0.00 0.09 -1.61 0.00 0.00 178.31 178.08 1i35 n ASN 64 N -4.28 0.00 0.00 2.17 5.03 0.16 -3.07 115.26 115.27 1i35 n ASN 64 Ca -0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.33 1i35 n ASN 64 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.44 1i35 n ASN 64 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1i35 n SER 65 N 1.98 0.00 -0.32 6.41 7.64 -1.26 -4.91 113.62 123.16 1i35 n SER 65 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1i35 n SER 65 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 1i35 n SER 65 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1i35 n SER 66 N 0.00 -0.44 -4.06 6.43 2.88 -1.18 -4.09 113.62 113.17 1i35 n SER 66 Ca 0.00 1.48 -0.32 0.00 -1.33 0.00 0.00 58.87 58.70 1i35 n SER 66 Cb 0.00 -0.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.92 1i35 n SER 66 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i35 s SER 67 N -5.27 3.88 0.00 -3.46 0.15 -1.26 -4.94 113.70 102.80 1i35 s SER 67 Ca -0.12 -1.10 0.28 0.00 0.70 0.00 0.00 55.95 55.71 1i35 s SER 67 Cb 0.20 -1.45 1.13 0.00 -1.71 0.00 0.00 66.02 64.19 1i35 s SER 67 CO 0.64 -0.14 1.84 -0.81 1.20 0.00 0.00 173.24 175.97 1i35 n PRO 68 N 4.54 0.15 -4.01 5.44 -0.04 -1.26 -4.84 135.00 134.98 1i35 n PRO 68 Ca -0.16 -0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.03 1i35 n PRO 68 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1i35 n PRO 68 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1i35 s GLU 69 N -2.87 3.24 0.94 0.54 0.41 -1.26 -4.96 118.70 114.73 1i35 s GLU 69 Ca 0.17 -0.78 -0.14 0.00 -0.41 0.00 0.00 54.97 53.82 1i35 s GLU 69 Cb 0.19 -2.81 -0.00 0.00 -1.78 0.00 0.00 34.13 29.73 1i35 s GLU 69 CO 0.55 0.47 0.22 2.89 -0.49 0.00 0.00 175.26 178.89 1i35 n ARG 70 N -0.87 -0.20 0.00 1.61 1.85 -1.20 -4.95 116.66 112.90 1i35 n ARG 70 Ca -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 1i35 n ARG 70 Cb 0.56 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1i35 n ARG 70 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1i35 n ASP 71 N -0.45 0.00 -2.71 2.89 9.92 -1.26 -4.80 116.55 120.14 1i35 n ASP 71 Ca 0.06 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.28 1i35 n ASP 71 Cb 0.54 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.04 1i35 n ASP 71 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1i35 n ARG 72 N -0.19 0.29 -3.75 -1.24 1.74 -1.26 -4.68 116.66 107.57 1i35 n ARG 72 Ca 0.00 -1.28 -0.26 0.00 -0.77 0.00 0.00 57.85 55.54 1i35 n ARG 72 Cb 0.00 -0.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.88 1i35 n ARG 72 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1i35 s LEU 73 N 0.84 4.24 0.04 0.55 2.34 0.10 -4.24 118.68 122.54 1i35 s LEU 73 Ca 0.26 0.31 0.08 0.00 0.06 0.00 0.00 54.13 54.84 1i35 s LEU 73 Cb 0.09 -3.09 -0.03 0.00 -0.56 0.00 0.00 46.19 42.60 1i35 s LEU 73 CO -0.09 -0.06 -0.23 0.27 -1.06 0.00 0.00 176.35 175.19 1i35 s ILE 74 N -1.91 1.82 -0.14 1.48 -4.36 0.70 0.23 121.20 119.02 1i35 s ILE 74 Ca 0.37 -1.23 -0.09 0.00 -0.26 0.00 0.00 60.65 59.44 1i35 s ILE 74 Cb -0.11 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 1i35 s ILE 74 CO 0.30 0.29 0.18 -0.63 0.24 0.00 0.00 174.94 175.31 1i35 s ILE 75 N -0.77 5.41 0.03 8.37 -1.09 0.60 -1.23 121.20 132.53 1i35 s ILE 75 Ca 0.09 0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.83 1i35 s ILE 75 Cb -0.09 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 1i35 s ILE 75 CO 0.02 0.53 -0.08 0.68 -1.23 0.00 0.00 174.94 174.85 1i35 s VAL 76 N -0.41 0.63 -0.43 2.92 -7.23 0.20 -2.66 120.40 113.42 1i35 s VAL 76 Ca 0.14 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1i35 s VAL 76 Cb -0.12 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.19 1i35 s VAL 76 CO 0.03 -0.18 0.65 -0.81 -0.31 0.00 0.00 175.10 174.48 1i35 n PRO 77 N 1.92 0.83 0.00 4.82 -0.04 -1.25 0.28 135.00 141.55 1i35 n PRO 77 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1i35 n PRO 77 Cb 0.56 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.37 0.00 0.25 0.54 0.00 -1.16 -3.62 118.16 114.54 1i35 n LYS 78 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 58.31 58.46 1i35 n LYS 78 Cb 0.33 0.00 0.68 0.00 0.00 0.00 0.00 35.03 36.03 1i35 n LYS 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1i35 h GLU 79 N 0.00 0.00 -1.20 1.64 3.07 -1.91 -3.21 114.58 112.97 1i35 h GLU 79 Ca 0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 1i35 h GLU 79 Cb 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 27.71 1i35 h GLU 79 CO 0.00 0.00 -0.54 0.15 -1.40 0.00 0.00 179.01 177.22 1i35 s LYS 80 N -4.22 0.98 0.00 2.33 3.01 -1.24 -5.13 119.74 115.47 1i35 s LYS 80 Ca -0.03 -1.00 0.00 0.00 -1.01 0.00 0.00 55.97 53.93 1i35 s LYS 80 Cb 0.09 -0.20 0.00 0.00 -1.01 0.00 0.00 37.83 36.71 1i35 s LYS 80 CO 0.31 -1.30 0.00 -0.35 0.51 0.00 0.00 175.35 174.52 1i35 n PRO 81 N 3.31 0.00 -2.21 -1.68 -0.04 -1.22 -3.94 135.00 129.23 1i35 n PRO 81 Ca 0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1i35 n PRO 81 Cb 0.55 0.00 -0.02 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 h PRO 83 N 2.39 -0.17 0.00 0.00 0.11 -1.95 -3.44 132.00 128.93 1i35 h PRO 83 Ca -0.26 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1i35 h PRO 83 Cb 0.58 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1i35 h PRO 83 CO 0.02 -0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 176.57 1i35 n SER 84 N -5.20 0.00 -0.22 -2.05 3.41 -1.26 -2.82 113.62 105.48 1i35 n SER 84 Ca -0.07 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.60 1i35 n SER 84 Cb 0.12 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.40 1i35 n SER 84 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1i35 h PHE 85 N 0.00 0.84 0.22 7.33 -1.00 -1.82 -2.47 116.94 120.04 1i35 h PHE 85 Ca 0.00 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1i35 h PHE 85 Cb 0.00 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.29 1i35 h PHE 85 CO 0.00 0.44 -0.11 1.49 -1.61 0.00 0.00 178.31 178.52 1i35 h GLU 86 N 0.82 -0.29 -0.96 1.51 4.22 -1.31 0.52 114.58 119.10 1i35 h GLU 86 Ca 0.34 0.02 0.23 0.00 0.08 0.00 0.00 59.36 60.03 1i35 h GLU 86 Cb 0.27 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.46 1i35 h GLU 86 CO -0.12 0.04 0.52 0.22 -2.18 0.00 0.00 179.01 177.49 1i35 h ASP 87 N -0.64 0.55 0.00 1.04 3.58 -1.73 -3.27 116.42 115.94 1i35 h ASP 87 Ca -0.03 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1i35 h ASP 87 Cb 0.46 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1i35 h ASP 87 CO 0.05 0.07 -0.05 0.18 -2.88 0.00 0.00 179.24 176.60 1i35 n LEU 88 N -4.94 0.16 0.00 2.28 7.99 -0.96 -4.56 117.00 116.96 1i35 n LEU 88 Ca 0.25 0.22 0.03 0.00 -0.01 0.00 0.00 56.01 56.50 1i35 n LEU 88 Cb 0.71 -0.53 -0.01 0.00 -0.11 0.00 0.00 43.42 43.48 1i35 n LEU 88 CO 0.15 -0.49 -0.04 -1.14 -1.51 0.00 0.00 177.39 174.35 1i35 n ARG 89 N -2.50 -0.47 -0.20 3.23 0.00 0.18 -1.06 116.66 115.84 1i35 n ARG 89 Ca -0.01 0.31 0.01 0.00 -0.00 0.00 0.00 57.85 58.16 1i35 n ARG 89 Cb 0.03 -0.57 0.26 0.00 0.00 0.00 0.00 32.46 32.17 1i35 n ARG 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1i35 h ARG 90 N 0.00 0.96 -0.85 -0.14 2.47 -1.93 -3.39 114.38 111.51 1i35 h ARG 90 Ca 0.00 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.56 1i35 h ARG 90 Cb 0.21 -0.21 -0.16 0.00 -1.65 0.00 0.00 29.97 28.15 1i35 h ARG 90 CO 0.00 0.64 -0.42 -1.12 0.56 0.00 0.00 179.97 179.63 1i35 s SER 91 N -6.39 -1.24 -0.73 7.04 0.01 -1.24 -5.09 113.70 106.06 1i35 s SER 91 Ca -0.11 -1.35 -0.25 0.00 1.31 0.00 0.00 55.95 55.55 1i35 s SER 91 Cb 0.18 1.62 -0.15 0.00 0.21 0.00 0.00 66.02 67.88 1i35 s SER 91 CO 0.78 -0.06 2.42 -2.67 0.41 0.00 0.00 173.24 174.12 1i35 n TRP 92 N 3.09 1.05 0.00 2.43 4.27 -0.22 -3.95 117.44 124.11 1i35 n TRP 92 Ca 0.16 0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.85 1i35 n TRP 92 Cb 0.58 -2.35 0.00 0.00 -1.36 0.00 0.00 31.31 28.18 1i35 n TRP 92 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1i35 n GLU 93 N 8.46 0.00 -3.68 -2.67 2.13 -1.26 -4.95 120.64 118.67 1i35 n GLU 93 Ca 0.48 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.21 1i35 n GLU 93 Cb 0.39 -0.06 -0.10 0.00 0.27 0.00 0.00 31.44 31.94 1i35 n GLU 93 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1i35 s ILE 94 N -1.50 -0.05 -0.71 6.31 -1.16 -1.25 -4.95 121.20 117.89 1i35 s ILE 94 Ca 0.00 0.07 0.06 0.00 -0.51 0.00 0.00 60.65 60.27 1i35 s ILE 94 Cb 0.00 -0.71 0.04 0.00 0.61 0.00 0.00 42.46 42.40 1i35 s ILE 94 CO 0.00 0.03 0.68 -0.62 -2.81 0.00 0.00 174.94 172.22