#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 3.94 0.22 0.00 1.01 -1.25 0.13 121.20 125.24 1i35 s ILE 2 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 60.65 62.02 1i35 s ILE 2 Cb 0.00 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1i35 s ILE 2 CO 0.00 0.02 0.30 -0.76 0.00 0.00 0.00 174.94 174.50 1i35 s LEU 3 N 2.05 4.18 -0.19 2.97 1.43 0.94 -4.84 118.68 125.23 1i35 s LEU 3 Ca 0.60 0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1i35 s LEU 3 Cb -0.29 -2.73 -0.00 0.00 0.03 0.00 0.00 46.19 43.20 1i35 s LEU 3 CO 0.25 -0.03 -0.12 -0.13 0.23 0.00 0.00 176.35 176.55 1i35 s ARG 4 N -3.77 3.25 0.02 1.70 3.00 -1.26 -1.83 118.95 120.05 1i35 s ARG 4 Ca 0.34 -0.71 0.01 0.00 0.00 0.00 0.00 55.73 55.37 1i35 s ARG 4 Cb -0.09 -2.77 -0.01 0.00 0.00 0.00 0.00 34.95 32.07 1i35 s ARG 4 CO 0.28 -0.10 -0.05 -0.59 0.00 0.00 0.00 175.30 174.83 1i35 s PHE 5 N 1.15 0.45 -0.09 -0.53 -0.71 -0.44 0.16 117.98 117.98 1i35 s PHE 5 Ca 0.01 -0.28 0.03 0.00 -1.04 0.00 0.00 56.93 55.65 1i35 s PHE 5 Cb -0.14 -0.28 0.01 0.00 -1.21 0.00 0.00 43.02 41.39 1i35 s PHE 5 CO -0.04 -0.06 -0.19 -1.50 -1.34 0.00 0.00 175.22 172.10 1i35 s ILE 6 N -0.72 1.65 0.15 -4.49 -1.16 0.50 0.10 121.20 117.23 1i35 s ILE 6 Ca -0.05 -0.77 -0.01 0.00 -0.51 0.00 0.00 60.65 59.31 1i35 s ILE 6 Cb -0.06 -1.46 -0.04 0.00 0.61 0.00 0.00 42.46 41.52 1i35 s ILE 6 CO -0.00 0.47 0.08 0.00 -2.81 0.00 0.00 174.94 172.68 1i35 s ALA 7 N 0.55 0.94 0.00 1.50 0.00 0.26 -1.23 121.76 123.78 1i35 s ALA 7 Ca -0.15 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1i35 s ALA 7 Cb -0.17 1.03 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1i35 s ALA 7 CO 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 175.76 175.29 1i35 h ASN 9 N 0.00 0.00 0.00 0.00 -1.07 -1.95 -2.95 115.58 109.62 1i35 h ASN 9 Ca 0.00 -0.97 0.00 0.00 0.07 0.00 0.00 56.30 55.40 1i35 h ASN 9 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1i35 h ASN 9 CO 0.00 1.01 0.00 0.61 0.07 0.00 0.00 177.43 179.12 1i35 n GLY 10 N 1.61 0.00 3.87 9.14 0.00 -1.21 -1.99 105.19 116.61 1i35 n GLY 10 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 3.25 -0.02 1.61 -0.44 -0.97 -4.90 119.66 118.19 1i35 s GLN 11 Ca 0.00 -0.52 0.04 0.00 -2.50 0.00 0.00 55.36 52.38 1i35 s GLN 11 Cb 0.00 -2.93 -0.01 0.00 -1.64 0.00 0.00 33.01 28.43 1i35 s GLN 11 CO 0.00 0.60 -0.14 0.99 0.50 0.00 0.00 175.29 177.24 1i35 s THR 12 N -1.47 1.12 -0.02 -0.34 2.01 -1.26 0.91 115.64 116.59 1i35 s THR 12 Ca 0.33 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1i35 s THR 12 Cb -0.13 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.44 1i35 s THR 12 CO 0.26 0.32 0.09 -0.60 -0.69 0.00 0.00 174.62 174.00 1i35 s ARG 13 N -0.19 0.22 -0.15 4.92 6.06 0.28 -4.96 118.95 125.13 1i35 s ARG 13 Ca 0.03 -0.06 0.00 0.00 -2.50 0.00 0.00 55.73 53.20 1i35 s ARG 13 Cb -0.07 0.09 0.03 0.00 0.06 0.00 0.00 34.95 35.06 1i35 s ARG 13 CO 0.00 -0.04 -0.13 0.00 -2.50 0.00 0.00 175.30 172.63 1i35 s ALA 14 N -0.42 1.82 0.02 6.12 0.00 -1.25 -1.33 121.76 126.71 1i35 s ALA 14 Ca -0.05 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.07 1i35 s ALA 14 Cb -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1i35 s ALA 14 CO 0.00 -0.46 -0.20 0.14 0.00 0.00 0.00 175.76 175.24 1i35 s VAL 15 N 1.50 2.59 -0.38 0.00 -7.23 -0.76 -4.79 120.40 111.33 1i35 s VAL 15 Ca 0.04 -1.13 -0.28 0.00 -1.81 0.00 0.00 61.98 58.79 1i35 s VAL 15 Cb -0.13 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1i35 s VAL 15 CO -0.10 0.43 1.65 0.00 -0.31 0.00 0.00 175.10 176.76 1i35 s GLN 16 N -1.15 3.40 0.33 4.82 -2.07 -1.26 -0.04 119.66 123.69 1i35 s GLN 16 Ca 0.13 1.19 -0.01 0.00 -1.82 0.00 0.00 55.36 54.85 1i35 s GLN 16 Cb -0.10 -4.14 -0.00 0.00 -1.09 0.00 0.00 33.01 27.67 1i35 s GLN 16 CO 0.03 -1.78 0.43 0.45 -1.32 0.00 0.00 175.29 173.10 1i35 s SER 17 N 5.32 0.97 0.37 12.60 0.15 0.34 -4.69 113.70 128.75 1i35 s SER 17 Ca 0.72 -1.50 0.08 0.00 0.70 0.00 0.00 55.95 55.95 1i35 s SER 17 Cb -0.19 0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 64.70 1i35 s SER 17 CO 0.33 -1.24 0.03 -0.60 1.20 0.00 0.00 173.24 172.95 1i35 s ARG 18 N -3.19 2.05 0.00 5.44 3.52 -1.26 -1.00 118.95 124.51 1i35 s ARG 18 Ca 0.32 -1.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.07 1i35 s ARG 18 Cb 0.00 -1.86 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 1i35 s ARG 18 CO 0.21 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.16 1i35 n GLY 19 N -0.99 0.00 0.00 8.12 0.00 -1.26 -4.57 105.19 106.49 1i35 n GLY 19 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.50 0.00 0.10 1.61 2.03 -1.26 -4.71 116.55 113.82 1i35 n ASP 20 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 1i35 n ASP 20 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1i35 n ASP 20 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1i35 h TYR 21 N 0.00 0.00 -0.24 -0.67 5.03 -1.64 -3.36 116.97 116.09 1i35 h TYR 21 Ca 0.00 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1i35 h TYR 21 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1i35 h TYR 21 CO 0.00 0.00 0.01 0.37 -1.32 0.00 0.00 178.16 177.22 1i35 h GLN 22 N 0.00 0.41 -0.05 1.82 5.75 -1.84 0.12 115.11 121.32 1i35 h GLN 22 Ca 0.00 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1i35 h GLN 22 Cb 0.95 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.46 1i35 h GLN 22 CO 0.00 0.59 -0.02 0.87 -2.65 0.00 0.00 178.83 177.62 1i35 h LYS 23 N 0.19 0.11 -0.82 1.69 1.57 -1.96 0.37 116.57 117.71 1i35 h LYS 23 Ca 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1i35 h LYS 23 Cb 0.40 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1i35 h LYS 23 CO 0.01 0.45 0.39 0.00 -0.57 0.00 0.00 179.45 179.73 1i35 h THR 24 N -0.25 1.26 -0.16 -0.16 1.03 -1.70 -1.39 112.91 111.54 1i35 h THR 24 Ca 0.01 -0.73 -0.06 0.00 -0.01 0.00 0.00 66.41 65.62 1i35 h THR 24 Cb 0.42 0.21 -0.00 0.00 -1.07 0.00 0.00 68.15 67.70 1i35 h THR 24 CO 0.01 0.31 -0.15 0.25 -0.01 0.00 0.00 175.52 175.93 1i35 h LEU 25 N 1.17 0.40 0.40 0.00 7.12 -0.69 0.04 115.31 123.76 1i35 h LEU 25 Ca 0.28 -0.48 -0.02 0.00 0.13 0.00 0.00 57.88 57.79 1i35 h LEU 25 Cb 0.13 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1i35 h LEU 25 CO -0.03 0.80 -0.19 0.00 -0.13 0.00 0.00 178.44 178.88 1i35 h ALA 26 N 0.62 -0.54 -0.17 1.25 0.00 -0.05 -1.98 119.26 118.38 1i35 h ALA 26 Ca 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1i35 h ALA 26 Cb 0.68 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1i35 h ALA 26 CO 0.04 -0.73 -0.21 0.82 0.00 0.00 0.00 179.25 179.17 1i35 h ILE 27 N -0.69 1.23 -0.10 0.00 2.04 -1.37 -0.64 117.51 117.98 1i35 h ILE 27 Ca -0.06 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.80 1i35 h ILE 27 Cb 0.49 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1i35 h ILE 27 CO 0.09 0.32 -0.25 0.00 0.00 0.00 0.00 178.15 178.31 1i35 h ALA 28 N 1.52 -0.26 -0.78 1.87 0.00 -0.76 -1.13 119.26 119.72 1i35 h ALA 28 Ca 0.05 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1i35 h ALA 28 Cb 0.53 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1i35 h ALA 28 CO 0.04 -0.72 0.51 1.25 0.00 0.00 0.00 179.25 180.33 1i35 h LEU 29 N -0.33 0.83 -0.22 0.00 5.85 -1.13 0.22 115.31 120.52 1i35 h LEU 29 Ca 0.09 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1i35 h LEU 29 Cb 0.47 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1i35 h LEU 29 CO -0.29 0.57 0.05 0.07 -0.34 0.00 0.00 178.44 178.50 1i35 h LYS 30 N 0.96 0.14 0.06 1.25 5.09 -0.87 -1.97 116.57 121.22 1i35 h LYS 30 Ca 0.31 -0.01 -0.24 0.00 0.09 0.00 0.00 60.65 60.80 1i35 h LYS 30 Cb 0.04 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.33 1i35 h LYS 30 CO -0.09 0.09 -1.06 0.87 -2.09 0.00 0.00 179.45 177.17 1i35 h LYS 31 N 0.15 0.22 0.06 0.07 1.79 -1.36 -3.40 116.57 114.10 1i35 h LYS 31 Ca 0.10 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1i35 h LYS 31 Cb 0.09 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1i35 h LYS 31 CO -0.12 1.10 -0.03 0.35 -1.08 0.00 0.00 179.45 179.66 1i35 h PHE 32 N 0.09 -0.08 0.00 -1.35 3.04 0.14 -3.46 116.94 115.33 1i35 h PHE 32 Ca -0.08 -0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.62 1i35 h PHE 32 Cb 1.76 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 40.26 1i35 h PHE 32 CO 0.04 -0.05 -1.81 0.45 -2.02 0.00 0.00 178.31 174.93 1i35 n SER 33 N -2.90 1.06 0.00 0.41 2.88 -0.86 -5.02 113.62 109.19 1i35 n SER 33 Ca -0.01 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1i35 n SER 33 Cb 0.03 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 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 -3.63 0.00 -3.65 2.46 4.32 -0.82 -5.06 117.00 110.62 1i35 n LEU 34 Ca -0.28 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.56 1i35 n LEU 34 Cb 0.70 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.43 1i35 n LEU 34 CO 0.02 0.00 0.27 -0.70 -1.22 0.00 0.00 177.39 175.76 1i35 s GLU 35 N 3.62 0.77 -0.88 3.23 2.12 -1.23 -3.74 118.70 122.59 1i35 s GLU 35 Ca 0.00 0.49 -0.05 0.00 0.36 0.00 0.00 54.97 55.76 1i35 s GLU 35 Cb 0.00 0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.75 1i35 s GLU 35 CO 0.00 -0.16 0.72 -0.25 -0.54 0.00 0.00 175.26 175.03 1i35 n ASP 36 N 2.03 -6.42 0.31 -1.70 8.00 -1.24 -4.76 116.55 112.77 1i35 n ASP 36 Ca -0.16 -0.57 0.19 0.00 0.71 0.00 0.00 54.79 54.96 1i35 n ASP 36 Cb 0.56 -3.99 1.03 0.00 -0.02 0.00 0.00 41.12 38.71 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 0.69 1.07 -0.75 2.24 0.00 -1.30 -3.37 119.26 117.84 1i35 h ALA 37 Ca -0.37 0.00 0.22 0.00 0.00 0.00 0.00 54.91 54.76 1i35 h ALA 37 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1i35 h ALA 37 CO 0.37 -0.07 1.13 0.45 0.00 0.00 0.00 179.25 181.13 1i35 n SER 38 N -2.89 0.00 -0.06 0.00 2.88 -1.26 0.56 113.62 112.84 1i35 n SER 38 Ca -0.03 0.67 -0.12 0.00 -1.33 0.00 0.00 58.87 58.06 1i35 n SER 38 Cb 0.13 -0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 63.35 1i35 n SER 38 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1i35 h LYS 39 N 0.00 0.38 -6.28 -1.46 1.57 -1.96 -3.45 116.57 105.37 1i35 h LYS 39 Ca 0.35 -0.17 -0.53 0.00 -1.87 0.00 0.00 60.65 58.44 1i35 h LYS 39 Cb 2.60 -0.01 0.24 0.00 0.08 0.00 0.00 32.23 35.14 1i35 h LYS 39 CO -0.00 0.68 -1.60 1.19 -0.57 0.00 0.00 179.45 179.15 1i35 n PHE 40 N -4.59 -3.18 -4.28 -1.35 3.01 2.24 -3.56 117.46 105.75 1i35 n PHE 40 Ca -0.05 0.17 -0.17 0.00 1.01 0.00 0.00 57.45 58.41 1i35 n PHE 40 Cb 0.31 -1.53 -0.10 0.00 -0.01 0.00 0.00 39.48 38.15 1i35 n PHE 40 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1i35 s ILE 41 N -2.13 1.40 0.14 4.37 -1.09 0.40 -4.69 121.20 119.61 1i35 s ILE 41 Ca 0.45 -2.02 0.09 0.00 -2.23 0.00 0.00 60.65 56.95 1i35 s ILE 41 Cb -0.13 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 1i35 s ILE 41 CO 0.74 -0.61 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.95 1i35 s VAL 42 N -2.88 1.88 0.04 2.92 1.01 -1.09 -0.33 120.40 121.95 1i35 s VAL 42 Ca 0.16 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.33 1i35 s VAL 42 Cb -0.01 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1i35 s VAL 42 CO 0.03 -0.16 0.06 0.00 0.00 0.00 0.00 175.10 175.03 1i35 s VAL 44 N -2.89 3.98 -0.05 0.00 -7.23 -0.02 0.11 120.40 114.30 1i35 s VAL 44 Ca -0.03 -1.03 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1i35 s VAL 44 Cb 0.01 -2.91 0.03 0.00 0.56 0.00 0.00 36.38 34.06 1i35 s VAL 44 CO -0.06 0.10 -0.01 -0.94 -0.31 0.00 0.00 175.10 173.88 1i35 s SER 45 N -2.36 1.12 0.28 4.85 1.04 -1.26 -2.47 113.70 114.90 1i35 s SER 45 Ca 0.26 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1i35 s SER 45 Cb -0.11 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1i35 s SER 45 CO 0.18 -0.13 0.00 1.67 0.98 0.00 0.00 173.24 175.94 1i35 n GLN 46 N 4.60 0.00 -0.64 4.02 0.00 -1.26 -4.76 117.38 119.34 1i35 n GLN 46 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.83 1i35 n GLN 46 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 1i35 n GLN 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1i35 n SER 47 N -3.37 0.98 0.30 1.69 7.64 -1.26 -4.70 113.62 114.89 1i35 n SER 47 Ca 0.00 -0.43 0.15 0.00 1.01 0.00 0.00 58.87 59.61 1i35 n SER 47 Cb 0.00 0.00 0.91 0.00 -1.01 0.00 0.00 64.21 64.11 1i35 n SER 47 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1i35 h SER 48 N 0.00 0.00 -3.32 6.43 0.02 -2.02 -3.40 113.55 111.26 1i35 h SER 48 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1i35 h SER 48 Cb 0.00 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.43 1i35 h SER 48 CO 0.00 0.02 -0.37 -0.13 -1.14 0.00 0.00 176.83 175.21 1i35 s ARG 49 N -4.53 4.23 0.01 3.45 1.81 -1.26 -5.08 118.95 117.58 1i35 s ARG 49 Ca -0.05 0.00 -0.16 0.00 -1.72 0.00 0.00 55.73 53.81 1i35 s ARG 49 Cb 0.15 -3.44 -0.06 0.00 -0.45 0.00 0.00 34.95 31.15 1i35 s ARG 49 CO 0.54 0.23 0.43 0.42 -0.68 0.00 0.00 175.30 176.24 1i35 s ILE 50 N 0.53 4.99 -0.04 1.52 1.01 -1.26 -4.53 121.20 123.42 1i35 s ILE 50 Ca 0.14 0.90 0.01 0.00 0.00 0.00 0.00 60.65 61.70 1i35 s ILE 50 Cb -0.13 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1i35 s ILE 50 CO 0.03 0.56 -0.04 -0.54 0.00 0.00 0.00 174.94 174.95 1i35 s LYS 51 N -1.01 2.75 0.30 2.79 1.02 -1.03 -5.00 119.74 119.56 1i35 s LYS 51 Ca 0.25 -0.58 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 1i35 s LYS 51 Cb -0.17 -2.62 -0.07 0.00 -0.52 0.00 0.00 37.83 34.44 1i35 s LYS 51 CO 0.14 0.65 0.65 -0.51 -0.92 0.00 0.00 175.35 175.36 1i35 s LEU 52 N -1.13 4.06 -0.11 3.17 2.01 -1.26 -0.84 118.68 124.57 1i35 s LEU 52 Ca 0.15 1.06 -0.02 0.00 0.01 0.00 0.00 54.13 55.34 1i35 s LEU 52 Cb -0.11 -3.87 0.04 0.00 0.01 0.00 0.00 46.19 42.26 1i35 s LEU 52 CO 0.05 -0.19 0.00 -0.63 1.01 0.00 0.00 176.35 176.59 1i35 s ILE 53 N -2.00 0.48 0.00 -0.59 1.01 0.53 -4.55 121.20 116.07 1i35 s ILE 53 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1i35 s ILE 53 Cb -0.11 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.64 1i35 s ILE 53 CO 0.22 0.13 0.00 0.35 0.00 0.00 0.00 174.94 175.65 1i35 n THR 54 N 5.10 0.00 0.00 2.92 -2.24 -1.26 -2.65 114.28 116.15 1i35 n THR 54 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1i35 n THR 54 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1i35 n THR 54 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1i35 n GLU 55 N 0.00 0.00 0.13 -0.78 0.28 -1.26 -3.83 120.64 115.18 1i35 n GLU 55 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1i35 n GLU 55 Cb 0.00 -0.22 -0.05 0.00 1.43 0.00 0.00 31.44 32.60 1i35 n GLU 55 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1i35 h GLU 56 N 0.00 -0.39 -0.12 3.44 4.22 -1.96 -2.29 114.58 117.47 1i35 h GLU 56 Ca 0.00 0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.50 1i35 h GLU 56 Cb 0.00 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1i35 h GLU 56 CO 0.00 -0.17 0.46 1.05 -2.18 0.00 0.00 179.01 178.17 1i35 h GLU 57 N -1.06 0.00 -0.85 1.92 9.09 -1.95 -3.13 114.58 118.60 1i35 h GLU 57 Ca -0.04 0.00 0.21 0.00 0.05 0.00 0.00 59.36 59.58 1i35 h GLU 57 Cb 0.40 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 27.37 1i35 h GLU 57 CO 0.07 0.00 0.25 0.27 0.05 0.00 0.00 179.01 179.65 1i35 h PHE 58 N 0.00 0.38 0.09 2.06 -0.00 -1.67 2.04 116.94 119.83 1i35 h PHE 58 Ca 0.06 0.05 -0.00 0.00 -0.00 0.00 0.00 57.97 58.07 1i35 h PHE 58 Cb 0.98 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 36.90 1i35 h PHE 58 CO 0.00 -0.15 -0.04 -0.22 -0.00 0.00 0.00 178.31 177.90 1i35 h LYS 59 N 0.26 -0.11 -0.19 6.09 3.64 -1.82 -2.67 116.57 121.76 1i35 h LYS 59 Ca 0.52 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.81 1i35 h LYS 59 Cb 1.00 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1i35 h LYS 59 CO -0.60 0.32 -0.27 1.96 -2.27 0.00 0.00 179.45 178.59 1i35 h GLN 60 N -0.58 0.51 -0.16 1.90 4.20 -1.33 -2.70 115.11 116.96 1i35 h GLN 60 Ca -0.01 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 1i35 h GLN 60 Cb 0.48 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1i35 h GLN 60 CO 0.02 0.90 -0.11 0.82 -0.67 0.00 0.00 178.83 179.79 1i35 h ILE 61 N 0.17 1.33 -0.13 2.54 5.03 0.31 0.77 117.51 127.52 1i35 h ILE 61 Ca 0.02 -1.20 -0.07 0.00 -0.12 0.00 0.00 64.86 63.49 1i35 h ILE 61 Cb 0.85 1.77 -0.00 0.00 -3.03 0.00 0.00 36.82 36.41 1i35 h ILE 61 CO 0.06 0.36 -0.18 0.00 -0.68 0.00 0.00 178.15 177.71 1i35 h PHE 63 N -0.04 0.00 -5.43 0.00 -1.00 -1.57 -3.48 116.94 105.42 1i35 h PHE 63 Ca 0.01 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.59 1i35 h PHE 63 Cb 0.74 0.00 0.17 0.00 3.61 0.00 0.00 35.95 40.46 1i35 h PHE 63 CO 0.09 0.64 -0.71 0.09 -1.61 0.00 0.00 178.31 176.81 1i35 n ASN 64 N -3.63 -6.84 -1.30 2.17 5.03 0.27 -4.77 115.26 106.18 1i35 n ASN 64 Ca -0.01 -0.60 0.13 0.00 0.87 0.00 0.00 54.58 54.98 1i35 n ASN 64 Cb 0.66 -5.22 -0.03 0.00 -1.02 0.00 0.00 39.78 34.17 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 -2.98 -7.76 -2.78 6.41 7.64 -1.12 -4.99 113.62 108.03 1i35 n SER 65 Ca -0.06 1.04 -0.04 0.00 1.01 0.00 0.00 58.87 60.81 1i35 n SER 65 Cb 0.60 -2.91 0.01 0.00 -1.01 0.00 0.00 64.21 60.89 1i35 n SER 65 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i35 n SER 66 N -3.84 -7.94 -4.55 6.43 7.64 -1.26 -4.91 113.62 105.19 1i35 n SER 66 Ca 0.01 0.92 -0.42 0.00 1.01 0.00 0.00 58.87 60.39 1i35 n SER 66 Cb 0.44 -5.34 -0.03 0.00 -1.01 0.00 0.00 64.21 58.27 1i35 n SER 66 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1i35 s SER 67 N -2.17 6.36 0.00 6.43 0.15 -1.26 -4.94 113.70 118.27 1i35 s SER 67 Ca 0.14 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1i35 s SER 67 Cb -0.04 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1i35 s SER 67 CO 0.77 -1.41 0.00 -0.81 1.20 0.00 0.00 173.24 172.99 1i35 n PRO 68 N 8.11 0.00 -4.12 5.44 -0.04 -1.26 -5.15 135.00 137.97 1i35 n PRO 68 Ca 0.05 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1i35 n PRO 68 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 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 2.10 2.25 0.12 0.54 0.41 -1.26 -5.08 118.70 117.78 1i35 s GLU 69 Ca 0.00 -1.94 -0.33 0.00 -0.41 0.00 0.00 54.97 52.29 1i35 s GLU 69 Cb 0.00 -1.97 -0.18 0.00 -1.78 0.00 0.00 34.13 30.19 1i35 s GLU 69 CO 0.00 -0.27 0.74 2.89 -0.49 0.00 0.00 175.26 178.12 1i35 n ARG 70 N -1.39 0.00 0.00 1.61 1.85 -1.26 -4.98 116.66 112.50 1i35 n ARG 70 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1i35 n ARG 70 Cb 0.65 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.86 1i35 n ARG 70 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1i35 n ASP 71 N 1.80 0.00 -2.67 2.89 -0.08 -1.25 -4.73 116.55 112.51 1i35 n ASP 71 Ca 0.19 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.44 1i35 n ASP 71 Cb 0.18 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.68 1i35 n ASP 71 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1i35 n ARG 72 N 0.00 0.09 -3.29 -0.67 3.00 -1.16 -4.78 116.66 109.85 1i35 n ARG 72 Ca 0.00 -0.76 -0.38 0.00 -0.00 0.00 0.00 57.85 56.71 1i35 n ARG 72 Cb 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 32.46 32.55 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 0.94 4.25 0.09 6.15 0.05 0.43 -4.28 118.68 126.32 1i35 s LEU 73 Ca 0.23 0.81 -0.24 0.00 0.05 0.00 0.00 54.13 54.98 1i35 s LEU 73 Cb 0.14 -2.71 -0.07 0.00 -2.05 0.00 0.00 46.19 41.49 1i35 s LEU 73 CO -0.11 -0.04 0.72 0.27 -0.55 0.00 0.00 176.35 176.65 1i35 s ILE 74 N 0.81 4.61 -0.14 1.48 -4.36 0.31 0.19 121.20 124.09 1i35 s ILE 74 Ca 0.26 1.55 -0.10 0.00 -0.26 0.00 0.00 60.65 62.10 1i35 s ILE 74 Cb -0.15 -4.07 -0.05 0.00 1.25 0.00 0.00 42.46 39.44 1i35 s ILE 74 CO 0.10 0.46 0.20 -0.63 0.24 0.00 0.00 174.94 175.32 1i35 s ILE 75 N -0.65 5.38 0.01 8.37 -1.09 -0.36 -1.15 121.20 131.70 1i35 s ILE 75 Ca 0.35 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1i35 s ILE 75 Cb -0.21 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1i35 s ILE 75 CO 0.23 0.51 -0.02 0.68 -1.23 0.00 0.00 174.94 175.10 1i35 s VAL 76 N -0.27 0.11 0.17 2.92 -7.23 0.55 -2.91 120.40 113.75 1i35 s VAL 76 Ca 0.14 -0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 59.43 1i35 s VAL 76 Cb -0.12 -0.20 -0.07 0.00 0.56 0.00 0.00 36.38 36.54 1i35 s VAL 76 CO 0.03 -0.29 1.00 -2.16 -0.31 0.00 0.00 175.10 173.37 1i35 s PRO 77 N -0.91 4.70 0.12 4.82 0.04 -1.26 0.15 135.00 142.66 1i35 s PRO 77 Ca -0.09 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.32 1i35 s PRO 77 Cb -0.06 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1i35 s PRO 77 CO -0.01 0.25 1.69 -0.22 0.04 0.00 0.00 177.00 178.75 1i35 h LYS 78 N 5.03 0.43 -1.70 4.56 3.64 -1.83 1.09 116.57 127.78 1i35 h LYS 78 Ca -0.44 -0.07 0.49 0.00 -1.27 0.00 0.00 60.65 59.37 1i35 h LYS 78 Cb 1.21 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.88 1i35 h LYS 78 CO 0.71 0.41 1.33 1.49 -2.27 0.00 0.00 179.45 181.12 1i35 h GLU 79 N 0.34 0.00 -0.00 1.90 4.81 -1.93 -3.30 114.58 116.40 1i35 h GLU 79 Ca 0.10 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 1i35 h GLU 79 Cb 0.13 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.35 1i35 h GLU 79 CO -0.01 0.00 -0.04 0.21 -0.73 0.00 0.00 179.01 178.44 1i35 s LYS 80 N -4.78 0.00 0.00 1.92 2.47 -0.86 -5.17 119.74 113.32 1i35 s LYS 80 Ca -0.04 -0.00 0.00 0.00 -1.56 0.00 0.00 55.97 54.36 1i35 s LYS 80 Cb 0.24 -0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.61 1i35 s LYS 80 CO 0.80 -0.00 0.00 -0.35 0.16 0.00 0.00 175.35 175.95 1i35 n PRO 81 N 2.80 1.95 -0.31 4.03 -0.04 0.37 -4.49 135.00 139.32 1i35 n PRO 81 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1i35 n PRO 81 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 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 1.34 1.48 0.00 0.00 -0.02 -1.26 -4.98 135.00 131.56 1i35 n PRO 83 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1i35 n PRO 83 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 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 -0.35 0.00 -0.31 2.55 7.64 -1.26 -4.90 113.62 116.99 1i35 n SER 84 Ca 0.10 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.16 1i35 n SER 84 Cb 0.43 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 64.07 1i35 n SER 84 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1i35 h PHE 85 N 0.00 0.77 -0.23 1.43 0.04 -1.76 -0.88 116.94 116.30 1i35 h PHE 85 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1i35 h PHE 85 Cb 0.00 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1i35 h PHE 85 CO 0.00 0.15 0.09 1.05 -0.60 0.00 0.00 178.31 178.99 1i35 h GLU 86 N 0.53 0.35 -0.16 1.51 4.11 -1.21 -2.41 114.58 117.29 1i35 h GLU 86 Ca 0.55 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.93 1i35 h GLU 86 Cb 1.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1i35 h GLU 86 CO -0.29 0.40 0.11 0.22 0.07 0.00 0.00 179.01 179.52 1i35 h ASP 87 N 0.22 0.15 0.00 3.06 3.58 -1.50 -3.38 116.42 118.55 1i35 h ASP 87 Ca 0.08 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1i35 h ASP 87 Cb 0.19 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1i35 h ASP 87 CO -0.01 0.10 0.00 -0.11 -2.88 0.00 0.00 179.24 176.35 1i35 n LEU 88 N -4.51 0.00 -1.03 2.28 7.94 -0.92 -4.58 117.00 116.18 1i35 n LEU 88 Ca -0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 1i35 n LEU 88 Cb 0.11 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.01 1i35 n LEU 88 CO 0.34 0.00 -0.31 -1.14 -1.11 0.00 0.00 177.39 175.18 1i35 n ARG 89 N 0.00 -1.79 0.00 1.96 0.63 -0.94 -2.33 116.66 114.19 1i35 n ARG 89 Ca 0.00 1.41 0.08 0.00 -0.92 0.00 0.00 57.85 58.42 1i35 n ARG 89 Cb 0.00 -2.34 0.48 0.00 0.45 0.00 0.00 32.46 31.04 1i35 n ARG 89 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1i35 n ARG 90 N -3.51 0.77 0.04 -0.14 -4.01 -1.26 -2.76 116.66 105.79 1i35 n ARG 90 Ca -0.04 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.64 1i35 n ARG 90 Cb 0.49 -1.32 -0.14 0.00 -3.04 0.00 0.00 32.46 28.45 1i35 n ARG 90 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 1i35 h SER 91 N 0.00 0.24 0.00 2.89 4.64 -1.95 -3.40 113.55 115.97 1i35 h SER 91 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1i35 h SER 91 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1i35 h SER 91 CO 0.00 1.28 0.00 1.87 -0.87 0.00 0.00 176.83 179.11 1i35 n TRP 92 N -3.35 0.00 -3.52 4.77 -0.00 -0.98 -2.20 117.44 112.15 1i35 n TRP 92 Ca -0.14 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 56.95 1i35 n TRP 92 Cb 1.02 -0.33 -0.08 0.00 -0.00 0.00 0.00 31.31 31.93 1i35 n TRP 92 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1i35 s GLU 93 N -3.28 2.60 0.00 5.87 -6.30 -1.26 -4.17 118.70 112.16 1i35 s GLU 93 Ca 0.00 -1.84 0.00 0.00 -2.50 0.00 0.00 54.97 50.63 1i35 s GLU 93 Cb 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 34.13 30.15 1i35 s GLU 93 CO 0.00 -1.21 0.00 1.51 0.02 0.00 0.00 175.26 175.58 1i35 n ILE 94 N 4.81 0.00 -0.68 -3.70 0.13 -0.93 -5.13 119.36 113.86 1i35 n ILE 94 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 1i35 n ILE 94 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.21 1i35 n ILE 94 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73