#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rap s GLU -4 N 0.00 0.35 0.14 -0.78 8.01 -1.26 -5.07 118.70 120.09 1rap s GLU -4 Ca 0.00 0.15 -0.03 0.00 0.01 0.00 0.00 54.97 55.10 1rap s GLU -4 Cb 0.00 0.11 -0.05 0.00 -4.31 0.00 0.00 34.13 29.88 1rap s GLU -4 CO 0.00 -0.59 0.35 -0.59 0.01 0.00 0.00 175.26 174.43 1rap s PHE -3 N 2.58 3.48 0.11 1.61 -0.12 -1.26 -5.11 117.98 119.28 1rap s PHE -3 Ca 0.19 0.45 0.06 0.00 -0.05 0.00 0.00 56.93 57.58 1rap s PHE -3 Cb -0.03 -1.92 -0.04 0.00 -0.63 0.00 0.00 43.02 40.40 1rap s PHE -3 CO -0.20 0.45 -0.14 0.15 -0.05 0.00 0.00 175.22 175.44 1rap s LYS -2 N -2.76 0.97 0.21 1.99 1.02 -1.26 -5.09 119.74 114.82 1rap s LYS -2 Ca 0.39 -1.19 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 1rap s LYS -2 Cb -0.12 -0.85 -0.10 0.00 -0.52 0.00 0.00 37.83 36.24 1rap s LYS -2 CO 0.26 0.16 1.51 0.00 -0.92 0.00 0.00 175.35 176.37 1rap s ALA -1 N -2.05 3.71 0.00 5.17 0.00 -1.26 -4.76 121.76 122.57 1rap s ALA -1 Ca 0.07 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1rap s ALA -1 Cb -0.05 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1rap s ALA -1 CO 0.03 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.42 1rap n GLY 1 N 2.96 5.83 3.67 0.00 0.00 -1.26 -5.00 105.19 111.40 1rap n GLY 1 Ca 0.10 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1rap n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rap s SER 2 N 0.75 6.22 0.16 1.61 0.15 -1.26 -4.92 113.70 116.41 1rap s SER 2 Ca 0.00 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.86 1rap s SER 2 Cb 0.00 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 1rap s SER 2 CO 0.00 0.04 1.40 0.00 1.20 0.00 0.00 173.24 175.88 1rap h ALA 3 N 7.39 0.53 -0.07 5.45 0.00 -1.92 -0.13 119.26 130.52 1rap h ALA 3 Ca -0.38 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 53.93 1rap h ALA 3 Cb 1.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1rap h ALA 3 CO 0.68 0.77 -0.08 0.87 0.00 0.00 0.00 179.25 181.50 1rap h LYS 4 N 0.27 -0.10 -0.43 0.00 1.79 -1.92 0.65 116.57 116.82 1rap h LYS 4 Ca -0.04 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 1rap h LYS 4 Cb 1.37 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.03 1rap h LYS 4 CO 0.13 -0.07 -0.17 -0.22 -1.08 0.00 0.00 179.45 178.04 1rap h LYS 5 N -0.10 0.88 -0.51 3.15 1.63 -1.91 -3.04 116.57 116.66 1rap h LYS 5 Ca 0.06 -0.37 -0.05 0.00 -0.85 0.00 0.00 60.65 59.43 1rap h LYS 5 Cb 0.19 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1rap h LYS 5 CO -0.14 1.01 0.09 0.78 -3.45 0.00 0.00 179.45 177.75 1rap h GLY 6 N 0.70 0.85 1.18 5.01 0.00 -0.49 -2.01 103.07 108.31 1rap h GLY 6 Ca 0.10 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1rap h GLY 6 CO 0.06 0.47 -0.07 0.00 0.00 0.00 0.00 176.54 176.99 1rap h ALA 7 N 1.34 0.86 0.00 3.60 0.00 -0.88 -1.75 119.26 122.44 1rap h ALA 7 Ca 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1rap h ALA 7 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rap h ALA 7 CO 0.00 0.65 0.00 1.79 0.00 0.00 0.00 179.25 181.70 1rap h THR 8 N 0.88 0.00 -0.17 0.00 1.35 -1.29 -1.66 112.91 112.02 1rap h THR 8 Ca 0.15 -0.73 -0.11 0.00 -0.55 0.00 0.00 66.41 65.17 1rap h THR 8 Cb 0.61 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1rap h THR 8 CO 0.04 0.00 -0.32 -0.07 -0.25 0.00 0.00 175.52 174.92 1rap h LEU 9 N 0.00 0.57 -0.01 3.87 4.07 -0.78 -1.43 115.31 121.59 1rap h LEU 9 Ca 0.00 -0.55 0.03 0.00 0.08 0.00 0.00 57.88 57.44 1rap h LEU 9 Cb 0.82 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.35 1rap h LEU 9 CO 0.00 1.01 -0.21 0.15 -1.08 0.00 0.00 178.44 178.31 1rap h PHE 10 N 0.15 -0.55 -0.84 1.13 3.04 -1.13 0.80 116.94 119.54 1rap h PHE 10 Ca 0.01 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.98 1rap h PHE 10 Cb 0.91 0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.62 1rap h PHE 10 CO 0.09 -0.29 0.54 0.87 -2.02 0.00 0.00 178.31 177.51 1rap h LYS 11 N -0.33 1.11 0.00 1.11 1.57 -1.21 0.53 116.57 119.35 1rap h LYS 11 Ca 0.06 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1rap h LYS 11 Cb 0.41 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1rap h LYS 11 CO -0.20 0.74 -0.51 1.79 -0.57 0.00 0.00 179.45 180.70 1rap h THR 12 N 1.14 0.78 0.00 -0.16 1.35 -0.70 -3.36 112.91 111.96 1rap h THR 12 Ca 0.31 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 1rap h THR 12 Cb -0.11 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1rap h THR 12 CO -0.06 0.45 -0.81 0.54 -0.25 0.00 0.00 175.52 175.39 1rap n ARG 13 N -3.20 1.51 -0.01 4.72 5.12 0.27 -4.93 116.66 120.14 1rap n ARG 13 Ca 0.02 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.92 1rap n ARG 13 Cb 0.72 -0.90 -0.02 0.00 -1.16 0.00 0.00 32.46 31.10 1rap n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rap h LEU 15 N 0.00 0.41 -1.73 0.00 5.85 -1.08 -1.07 115.31 117.68 1rap h LEU 15 Ca -0.07 0.01 0.26 0.00 0.84 0.00 0.00 57.88 58.93 1rap h LEU 15 Cb 1.15 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1rap h LEU 15 CO 0.00 0.23 0.67 -0.61 -0.34 0.00 0.00 178.44 178.40 1rap h GLN 16 N 0.44 0.19 0.00 1.25 4.15 -1.84 -3.21 115.11 116.09 1rap h GLN 16 Ca 0.32 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1rap h GLN 16 Cb 0.66 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1rap h GLN 16 CO -0.10 0.12 0.00 0.00 -1.93 0.00 0.00 178.83 176.92 1rap s HIS 18 N -0.64 0.56 0.31 0.00 3.76 -0.51 0.23 115.29 119.00 1rap s HIS 18 Ca 0.00 -1.07 0.10 0.00 -0.15 0.00 0.00 55.06 53.94 1rap s HIS 18 Cb 0.00 -0.40 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 1rap s HIS 18 CO 0.00 -0.37 -0.08 0.95 -0.85 0.00 0.00 174.74 174.39 1rap s THR 19 N -3.91 2.68 0.00 1.30 -4.23 -1.26 -4.35 115.64 105.87 1rap s THR 19 Ca 0.08 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1rap s THR 19 Cb 0.08 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1rap s THR 19 CO -0.09 -0.30 0.05 2.22 -0.54 0.00 0.00 174.62 175.96 1rap n PHE 20 N -0.81 0.00 -2.34 3.99 1.16 -1.26 -1.84 117.46 116.35 1rap n PHE 20 Ca -0.05 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.20 1rap n PHE 20 Cb 0.61 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.46 1rap n PHE 20 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1rap s ASP 21 N -0.52 6.24 -0.01 5.98 1.47 -1.26 -3.45 116.67 125.12 1rap s ASP 21 Ca 0.00 1.79 -0.30 0.00 1.18 0.00 0.00 52.55 55.22 1rap s ASP 21 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.01 1rap s ASP 21 CO 0.00 -0.85 1.08 0.00 0.68 0.00 0.00 175.17 176.08 1rap s GLN 22 N -3.73 4.47 0.00 2.11 1.03 -1.26 -2.23 119.66 120.05 1rap s GLN 22 Ca 0.64 1.56 0.00 0.00 0.04 0.00 0.00 55.36 57.59 1rap s GLN 22 Cb -0.14 -3.46 0.00 0.00 0.03 0.00 0.00 33.01 29.44 1rap s GLN 22 CO 0.28 -0.21 0.00 0.41 -2.54 0.00 0.00 175.29 173.23 1rap n GLY 23 N 3.09 0.73 3.80 2.60 0.00 -1.26 -5.03 105.19 109.13 1rap n GLY 23 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1rap n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rap s GLY 24 N -1.86 2.76 0.26 -0.02 0.00 -0.95 -5.08 107.32 102.43 1rap s GLY 24 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.90 1rap s GLY 24 CO 0.00 0.68 0.54 0.00 0.00 0.00 0.00 173.10 174.33 1rap s ALA 25 N -1.33 3.61 0.47 3.20 0.00 -1.26 -4.86 121.76 121.58 1rap s ALA 25 Ca 0.39 -0.44 -0.22 0.00 0.00 0.00 0.00 51.96 51.69 1rap s ALA 25 Cb -0.20 -2.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.50 1rap s ALA 25 CO 0.23 0.37 1.14 -0.80 0.00 0.00 0.00 175.76 176.70 1rap s ASN 26 N -2.79 6.18 0.00 0.00 0.01 -1.26 -4.41 114.94 112.67 1rap s ASN 26 Ca 0.45 2.22 0.00 0.00 -0.71 0.00 0.00 52.86 54.83 1rap s ASN 26 Cb -0.11 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1rap s ASN 26 CO 0.26 -0.91 0.00 0.29 -1.51 0.00 0.00 177.10 175.23 1rap n LYS 27 N -0.61 0.22 -0.28 -0.60 5.02 -1.26 -4.94 118.16 115.70 1rap n LYS 27 Ca 0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.35 1rap n LYS 27 Cb 0.49 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.65 1rap n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1rap h VAL 28 N 0.00 1.24 -2.28 -0.18 2.07 -1.85 -3.42 116.25 111.83 1rap h VAL 28 Ca 0.00 -0.54 -0.53 0.00 0.82 0.00 0.00 66.70 66.44 1rap h VAL 28 Cb 0.00 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 29.77 1rap h VAL 28 CO 0.00 0.25 -0.58 -0.83 0.02 0.00 0.00 177.57 176.43 1rap s GLY 29 N -3.30 1.53 0.74 2.17 0.00 0.14 -5.06 107.32 103.54 1rap s GLY 29 Ca -0.12 -1.49 -0.12 0.00 0.00 0.00 0.00 44.72 42.99 1rap s GLY 29 CO 0.81 -1.53 1.11 2.56 0.00 0.00 0.00 173.10 176.05 1rap s PRO 30 N -3.68 2.34 0.14 2.90 0.04 -1.26 -4.62 135.00 130.86 1rap s PRO 30 Ca 0.32 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 1rap s PRO 30 Cb -0.08 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1rap s PRO 30 CO 0.23 -1.60 1.38 1.21 0.04 0.00 0.00 177.00 178.26 1rap s ASN 31 N -3.00 6.83 0.00 6.66 3.84 -1.26 -4.42 114.94 123.58 1rap s ASN 31 Ca 0.64 2.36 0.25 0.00 0.21 0.00 0.00 52.86 56.33 1rap s ASN 31 Cb -0.19 -2.59 1.08 0.00 -0.55 0.00 0.00 41.25 39.00 1rap s ASN 31 CO 0.51 -0.63 1.75 0.18 -2.79 0.00 0.00 177.10 176.11 1rap n LEU 32 N 3.59 1.16 -4.70 3.21 4.77 -0.77 -4.92 117.00 119.34 1rap n LEU 32 Ca 0.10 -0.43 -0.44 0.00 -0.03 0.00 0.00 56.01 55.21 1rap n LEU 32 Cb 0.42 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1rap n LEU 32 CO 0.59 0.22 1.19 1.57 -1.33 0.00 0.00 177.39 179.62 1rap n HIS 33 N -0.06 2.52 -2.17 -1.77 -0.00 -1.22 -2.08 115.22 110.44 1rap n HIS 33 Ca 0.18 0.27 -0.15 0.00 0.46 0.00 0.00 57.72 58.49 1rap n HIS 33 Cb 0.28 -2.56 -0.01 0.00 -0.12 0.00 0.00 29.99 27.57 1rap n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rap n GLY 34 N 2.73 -0.01 0.20 1.57 0.00 0.31 -4.96 105.19 105.04 1rap n GLY 34 Ca 0.12 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1rap n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rap h ILE 35 N 0.00 1.25 -2.85 -0.61 6.09 -1.61 -3.40 117.51 116.38 1rap h ILE 35 Ca -0.34 -1.17 -0.55 0.00 -1.37 0.00 0.00 64.86 61.42 1rap h ILE 35 Cb 1.22 1.55 -0.02 0.00 0.47 0.00 0.00 36.82 40.04 1rap h ILE 35 CO 0.42 0.34 0.90 -0.36 -3.07 0.00 0.00 178.15 176.39 1rap s PHE 36 N -4.34 2.67 0.00 2.19 0.08 -1.26 -1.55 117.98 115.78 1rap s PHE 36 Ca -0.04 0.76 0.00 0.00 0.12 0.00 0.00 56.93 57.77 1rap s PHE 36 Cb 0.14 -3.65 0.00 0.00 -0.57 0.00 0.00 43.02 38.94 1rap s PHE 36 CO 0.74 -2.46 0.00 0.41 -0.10 0.00 0.00 175.22 173.80 1rap n GLY 37 N 3.73 1.24 3.98 4.36 0.00 0.40 -5.00 105.19 113.90 1rap n GLY 37 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1rap n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rap s ARG 38 N -0.46 1.95 0.45 1.61 3.52 -0.59 -4.72 118.95 120.71 1rap s ARG 38 Ca 0.00 -0.87 0.08 0.00 -0.13 0.00 0.00 55.73 54.81 1rap s ARG 38 Cb 0.00 -2.33 0.02 0.00 -1.56 0.00 0.00 34.95 31.08 1rap s ARG 38 CO 0.00 -1.25 0.57 -1.01 -0.81 0.00 0.00 175.30 172.80 1rap s HIS 39 N -3.08 2.47 0.66 5.12 3.76 -1.26 0.29 115.29 123.26 1rap s HIS 39 Ca 0.63 -0.50 -0.12 0.00 -0.15 0.00 0.00 55.06 54.92 1rap s HIS 39 Cb -0.07 -2.29 -0.00 0.00 1.11 0.00 0.00 32.58 31.32 1rap s HIS 39 CO 0.43 -0.50 1.06 -1.54 -0.85 0.00 0.00 174.74 173.34 1rap s SER 40 N -4.36 5.47 -1.07 1.40 1.04 0.14 -4.08 113.70 112.24 1rap s SER 40 Ca 0.54 1.70 -0.04 0.00 0.48 0.00 0.00 55.95 58.63 1rap s SER 40 Cb -0.07 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1rap s SER 40 CO 0.33 -1.38 0.49 0.61 0.98 0.00 0.00 173.24 174.27 1rap n GLY 41 N -1.60 -0.15 0.00 7.32 0.00 -1.26 -4.73 105.19 104.77 1rap n GLY 41 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1rap n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rap n GLN 42 N -3.13 2.00 -2.06 1.61 1.13 -1.26 -4.93 117.38 110.75 1rap n GLN 42 Ca -0.07 -1.19 -0.42 0.00 -1.94 0.00 0.00 57.00 53.38 1rap n GLN 42 Cb 0.58 -0.90 -0.03 0.00 0.11 0.00 0.00 30.24 30.00 1rap n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rap s ALA 43 N -0.70 3.65 0.02 -1.58 0.00 -1.26 -4.92 121.76 116.97 1rap s ALA 43 Ca 0.00 1.11 -0.34 0.00 0.00 0.00 0.00 51.96 52.73 1rap s ALA 43 Cb 0.00 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 19.36 1rap s ALA 43 CO 0.00 -0.94 1.77 0.39 0.00 0.00 0.00 175.76 176.99 1rap n GLU 44 N 5.10 2.24 -0.98 0.00 -0.58 -1.26 -2.68 120.64 122.47 1rap n GLU 44 Ca 0.14 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.70 1rap n GLU 44 Cb 0.42 -2.64 0.00 0.00 -0.57 0.00 0.00 31.44 28.64 1rap n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rap n GLY 45 N 4.04 0.61 3.69 0.62 0.00 -1.26 -4.99 105.19 107.89 1rap n GLY 45 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1rap n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rap s TYR 46 N -2.53 3.15 -1.05 1.61 5.04 -1.09 -5.06 117.35 117.42 1rap s TYR 46 Ca 0.00 0.17 -0.14 0.00 -2.44 0.00 0.00 57.07 54.66 1rap s TYR 46 Cb 0.00 -1.76 0.20 0.00 0.35 0.00 0.00 41.96 40.75 1rap s TYR 46 CO 0.00 0.47 1.16 0.45 -1.34 0.00 0.00 175.55 176.29 1rap s SER 47 N -1.08 6.97 0.97 4.32 0.15 -1.26 -4.90 113.70 118.87 1rap s SER 47 Ca 0.15 -2.85 -0.15 0.00 0.70 0.00 0.00 55.95 53.80 1rap s SER 47 Cb -0.11 -2.32 0.19 0.00 -1.71 0.00 0.00 66.02 62.06 1rap s SER 47 CO 0.05 -0.68 1.23 -0.31 1.20 0.00 0.00 173.24 174.73 1rap s TYR 48 N 0.91 1.77 0.65 3.44 2.02 -1.26 -5.06 117.35 119.82 1rap s TYR 48 Ca 0.33 0.51 -0.08 0.00 -0.37 0.00 0.00 57.07 57.45 1rap s TYR 48 Cb -0.06 -3.78 0.02 0.00 -0.40 0.00 0.00 41.96 37.73 1rap s TYR 48 CO -0.06 -2.68 1.00 0.95 -1.57 0.00 0.00 175.55 173.18 1rap s THR 49 N -3.58 3.44 0.18 -0.71 -4.23 -1.26 -4.97 115.64 104.51 1rap s THR 49 Ca 0.70 0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 61.28 1rap s THR 49 Cb -0.08 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.42 1rap s THR 49 CO 0.53 -0.49 1.71 0.44 -0.54 0.00 0.00 174.62 176.27 1rap h ASP 50 N -0.43 0.91 -0.41 3.99 3.45 -1.97 -2.94 116.42 119.02 1rap h ASP 50 Ca -0.45 -0.21 0.09 0.00 0.43 0.00 0.00 57.03 56.88 1rap h ASP 50 Cb 1.26 -0.24 -0.09 0.00 -0.56 0.00 0.00 39.33 39.71 1rap h ASP 50 CO 0.62 0.88 -0.18 0.00 -1.57 0.00 0.00 179.24 178.98 1rap h ALA 51 N 1.07 0.13 0.48 3.45 0.00 -1.86 -0.98 119.26 121.54 1rap h ALA 51 Ca 0.20 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1rap h ALA 51 Cb 0.30 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1rap h ALA 51 CO -0.01 -0.54 -0.23 -0.97 0.00 0.00 0.00 179.25 177.50 1rap h ASN 52 N -0.10 -0.54 -0.27 0.00 -0.73 -1.86 -2.64 115.58 109.44 1rap h ASN 52 Ca 0.20 -0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.40 1rap h ASN 52 Cb 0.41 0.14 -0.08 0.00 0.27 0.00 0.00 38.32 39.06 1rap h ASN 52 CO -0.47 -0.33 -0.47 0.40 -0.37 0.00 0.00 177.43 176.18 1rap h ILE 53 N -0.72 0.08 0.00 2.57 2.04 -1.28 -2.85 117.51 117.35 1rap h ILE 53 Ca -0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1rap h ILE 53 Cb 0.53 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1rap h ILE 53 CO 0.11 0.00 -0.08 0.11 0.00 0.00 0.00 178.15 178.29 1rap h LYS 54 N -0.44 0.00 -0.01 2.37 1.57 -1.22 -2.58 116.57 116.26 1rap h LYS 54 Ca 0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1rap h LYS 54 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1rap h LYS 54 CO -0.50 0.08 -0.38 -0.22 -0.57 0.00 0.00 179.45 177.85 1rap h LYS 55 N 0.00 0.02 -6.62 3.15 1.63 -1.22 -3.46 116.57 110.06 1rap h LYS 55 Ca -0.00 -0.01 -0.53 0.00 -0.85 0.00 0.00 60.65 59.26 1rap h LYS 55 Cb 0.16 -0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 31.58 1rap h LYS 55 CO 0.01 0.40 -0.79 -1.71 -3.45 0.00 0.00 179.45 173.90 1rap n ASN 56 N -4.08 -3.20 -4.71 4.20 4.05 -0.97 -4.85 115.26 105.70 1rap n ASN 56 Ca -0.02 -0.94 -0.43 0.00 0.45 0.00 0.00 54.58 53.65 1rap n ASN 56 Cb 0.42 -2.63 -0.01 0.00 1.23 0.00 0.00 39.78 38.78 1rap n ASN 56 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1rap n VAL 57 N -4.26 1.53 -3.29 3.44 0.31 -1.26 -4.51 118.33 110.28 1rap n VAL 57 Ca 0.07 -0.38 -0.38 0.00 -0.01 0.00 0.00 64.34 63.64 1rap n VAL 57 Cb 0.49 -1.67 -0.06 0.00 -0.91 0.00 0.00 33.84 31.69 1rap n VAL 57 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1rap s LEU 58 N -0.75 4.37 -0.26 7.52 2.96 -1.26 0.23 118.68 131.49 1rap s LEU 58 Ca 0.60 1.00 -0.16 0.00 -0.22 0.00 0.00 54.13 55.35 1rap s LEU 58 Cb -0.56 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1rap s LEU 58 CO 0.56 0.10 0.42 0.26 -1.32 0.00 0.00 176.35 176.38 1rap s TRP 59 N -0.02 3.26 0.28 5.38 0.52 0.15 -4.91 118.94 123.60 1rap s TRP 59 Ca 0.28 0.50 0.03 0.00 0.02 0.00 0.00 56.10 56.93 1rap s TRP 59 Cb -0.17 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.49 1rap s TRP 59 CO 0.14 -0.23 0.18 0.16 0.02 0.00 0.00 176.95 177.22 1rap s ASP 60 N 1.57 1.15 0.37 2.95 1.47 -1.26 0.15 116.67 123.07 1rap s ASP 60 Ca 0.17 -1.56 0.08 0.00 1.18 0.00 0.00 52.55 52.42 1rap s ASP 60 Cb -0.16 0.43 0.73 0.00 -0.34 0.00 0.00 42.92 43.59 1rap s ASP 60 CO 0.10 -0.92 1.91 -0.33 0.68 0.00 0.00 175.17 176.61 1rap h GLU 61 N 2.32 0.34 0.00 2.11 3.07 -1.97 -2.34 114.58 118.12 1rap h GLU 61 Ca -0.32 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.41 1rap h GLU 61 Cb 1.24 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1rap h GLU 61 CO 0.48 0.43 -0.77 -0.91 -1.40 0.00 0.00 179.01 176.84 1rap h ASN 62 N 0.33 0.00 -0.05 1.42 2.35 -1.97 -2.68 115.58 114.97 1rap h ASN 62 Ca 0.07 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1rap h ASN 62 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1rap h ASN 62 CO 0.02 0.24 -0.29 0.78 -1.65 0.00 0.00 177.43 176.52 1rap h ASN 63 N 0.00 0.35 -0.23 5.81 2.35 -1.90 -2.85 115.58 119.11 1rap h ASN 63 Ca -0.04 -0.66 0.02 0.00 -0.55 0.00 0.00 56.30 55.07 1rap h ASN 63 Cb 1.22 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 1rap h ASN 63 CO 0.02 0.96 0.08 -0.03 -1.65 0.00 0.00 177.43 176.81 1rap h MET 64 N -0.23 0.18 -0.55 0.81 4.05 -1.50 0.59 114.93 118.29 1rap h MET 64 Ca -0.02 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 1rap h MET 64 Cb 0.96 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.69 1rap h MET 64 CO 0.06 0.12 0.17 1.03 0.23 0.00 0.00 176.91 178.52 1rap h SER 65 N 0.19 0.80 0.25 1.39 0.87 -1.56 0.37 113.55 115.86 1rap h SER 65 Ca 0.10 -0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.32 1rap h SER 65 Cb 0.06 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1rap h SER 65 CO -0.10 0.79 -0.54 1.05 -0.53 0.00 0.00 176.83 177.51 1rap h GLU 66 N 0.76 0.31 0.74 2.24 4.11 -1.22 -2.80 114.58 118.72 1rap h GLU 66 Ca 0.18 -0.19 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1rap h GLU 66 Cb 0.28 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1rap h GLU 66 CO -0.01 0.77 -0.35 -0.92 0.07 0.00 0.00 179.01 178.57 1rap h TYR 67 N 0.24 -0.92 0.00 2.06 -0.00 0.52 -2.85 116.97 116.02 1rap h TYR 67 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.71 1rap h TYR 67 Cb 1.02 0.30 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 1rap h TYR 67 CO 0.02 -0.55 0.00 1.28 -0.00 0.00 0.00 178.16 178.91 1rap n LEU 68 N -5.48 0.32 -0.01 2.82 4.77 0.13 -2.08 117.00 117.48 1rap n LEU 68 Ca -0.14 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 1rap n LEU 68 Cb 0.40 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1rap n LEU 68 CO 0.36 -0.63 0.71 0.74 -1.33 0.00 0.00 177.39 177.24 1rap h THR 69 N 0.00 1.28 -1.04 -5.08 2.02 -1.24 0.54 112.91 109.38 1rap h THR 69 Ca 0.00 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1rap h THR 69 Cb 0.11 1.78 -0.19 0.00 -1.74 0.00 0.00 68.15 68.11 1rap h THR 69 CO 0.00 0.23 -0.47 0.21 0.37 0.00 0.00 175.52 175.86 1rap s ASN 70 N -5.61 -1.41 0.00 4.18 3.84 -1.07 -3.65 114.94 111.22 1rap s ASN 70 Ca -0.15 -0.99 0.00 0.00 0.21 0.00 0.00 52.86 51.94 1rap s ASN 70 Cb 0.03 1.90 0.00 0.00 -0.55 0.00 0.00 41.25 42.63 1rap s ASN 70 CO 0.68 -0.15 0.00 -2.65 -2.79 0.00 0.00 177.10 172.19 1rap n PRO 71 N 4.15 0.00 0.00 0.43 -0.02 -0.88 -1.08 135.00 137.61 1rap n PRO 71 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1rap n PRO 71 Cb 0.56 -0.71 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 1rap n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1rap n LYS 73 N 0.23 0.00 0.03 -0.52 0.00 -1.26 -0.97 118.16 115.67 1rap n LYS 73 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 1rap n LYS 73 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1rap n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1rap h TYR 74 N 0.00 -0.06 -3.16 5.64 3.20 -1.42 -3.38 116.97 117.79 1rap h TYR 74 Ca 0.00 -0.00 -0.62 0.00 3.14 0.00 0.00 58.73 61.24 1rap h TYR 74 Cb 0.00 0.02 -0.41 0.00 1.54 0.00 0.00 36.73 37.88 1rap h TYR 74 CO 0.00 0.29 -0.68 0.42 -1.64 0.00 0.00 178.16 176.55 1rap s ILE 75 N -4.78 2.04 0.03 1.81 1.01 -0.15 -5.09 121.20 116.08 1rap s ILE 75 Ca -0.15 -3.06 -0.30 0.00 0.00 0.00 0.00 60.65 57.13 1rap s ILE 75 Cb 0.03 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.02 1rap s ILE 75 CO 0.65 -0.87 1.43 -2.84 0.00 0.00 0.00 174.94 173.31 1rap s PRO 76 N -0.11 4.28 0.00 2.79 0.02 -1.26 -2.18 135.00 138.53 1rap s PRO 76 Ca 0.18 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1rap s PRO 76 Cb -0.22 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 30.78 1rap s PRO 76 CO -0.02 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1rap n GLY 77 N 3.66 0.85 3.78 0.52 0.00 -1.26 -4.79 105.19 107.95 1rap n GLY 77 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1rap n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rap s THR 78 N -2.00 3.49 -0.75 2.61 -1.32 -0.93 -4.61 115.64 112.14 1rap s THR 78 Ca 0.00 1.14 0.23 0.00 -1.21 0.00 0.00 61.69 61.85 1rap s THR 78 Cb 0.00 -3.59 -0.07 0.00 -1.51 0.00 0.00 72.50 67.34 1rap s THR 78 CO 0.00 0.00 1.16 2.29 -2.21 0.00 0.00 174.62 175.87 1rap n LYS 79 N -0.20 0.19 -1.61 7.08 2.85 -1.26 -4.87 118.16 120.34 1rap n LYS 79 Ca 0.06 0.01 -0.43 0.00 -1.05 0.00 0.00 58.31 56.90 1rap n LYS 79 Cb 0.49 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.26 1rap n LYS 79 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1rap n MET 80 N -1.83 2.08 -1.92 -1.58 1.56 -1.26 -4.88 117.12 109.29 1rap n MET 80 Ca 0.03 0.60 -0.36 0.00 -0.27 0.00 0.00 57.70 57.71 1rap n MET 80 Cb 0.40 -3.21 -0.01 0.00 2.15 0.00 0.00 33.22 32.55 1rap n MET 80 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rap n ALA 81 N 11.18 6.50 -3.58 -5.12 0.00 -1.26 -4.89 120.51 123.33 1rap n ALA 81 Ca 0.29 -3.84 -0.31 0.00 0.00 0.00 0.00 53.44 49.58 1rap n ALA 81 Cb 0.44 -2.29 -0.17 0.00 0.00 0.00 0.00 19.45 17.44 1rap n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1rap s PHE 82 N -2.56 2.35 -0.32 0.00 2.19 -1.26 -5.04 117.98 113.33 1rap s PHE 82 Ca 0.53 -1.12 0.27 0.00 0.33 0.00 0.00 56.93 56.94 1rap s PHE 82 Cb 0.31 -1.63 0.76 0.00 -1.31 0.00 0.00 43.02 41.15 1rap s PHE 82 CO -0.22 -0.52 1.75 0.78 1.83 0.00 0.00 175.22 178.85 1rap h GLY 83 N 7.24 0.00 0.00 13.12 0.00 -1.96 -3.40 103.07 118.07 1rap h GLY 83 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1rap h GLY 83 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.66 1rap n GLY 84 N 0.73 2.73 3.25 4.60 0.00 -1.26 -4.63 105.19 110.60 1rap n GLY 84 Ca 0.03 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1rap n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rap s LEU 85 N 0.00 5.88 0.10 0.99 1.43 0.19 -4.96 118.68 122.31 1rap s LEU 85 Ca 0.00 -1.87 -0.25 0.00 -1.03 0.00 0.00 54.13 50.98 1rap s LEU 85 Cb 0.00 -2.08 -0.11 0.00 0.03 0.00 0.00 46.19 44.03 1rap s LEU 85 CO 0.00 -0.76 1.68 0.11 0.23 0.00 0.00 176.35 177.62 1rap h LYS 86 N 8.61 -0.27 -6.17 1.70 1.57 -1.83 -3.38 116.57 116.81 1rap h LYS 86 Ca -0.24 0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 57.99 1rap h LYS 86 Cb 1.08 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 1rap h LYS 86 CO 0.93 -0.18 0.76 0.15 -0.57 0.00 0.00 179.45 180.54 1rap s LYS 87 N -6.14 4.30 0.26 3.15 1.02 -1.26 -4.94 119.74 116.13 1rap s LYS 87 Ca -0.15 1.49 -0.02 0.00 0.02 0.00 0.00 55.97 57.32 1rap s LYS 87 Cb 0.07 -3.64 0.49 0.00 -0.52 0.00 0.00 37.83 34.23 1rap s LYS 87 CO 0.66 -0.55 1.80 1.49 -0.92 0.00 0.00 175.35 177.82 1rap h GLU 88 N 7.56 0.75 -0.66 1.68 4.81 -1.99 -1.03 114.58 125.70 1rap h GLU 88 Ca -0.26 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.01 1rap h GLU 88 Cb 1.10 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 1rap h GLU 88 CO 0.94 0.50 0.31 1.57 -0.73 0.00 0.00 179.01 181.60 1rap h LYS 89 N 0.77 0.54 -0.47 1.92 2.10 -1.97 0.78 116.57 120.24 1rap h LYS 89 Ca 0.45 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 59.05 1rap h LYS 89 Cb 0.51 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.69 1rap h LYS 89 CO -0.29 0.36 0.24 -0.44 -2.00 0.00 0.00 179.45 177.31 1rap h ASP 90 N 0.55 0.60 -0.44 7.07 3.45 -1.62 -1.90 116.42 124.14 1rap h ASP 90 Ca 0.32 -0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.60 1rap h ASP 90 Cb 0.32 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1rap h ASP 90 CO -0.25 0.55 0.05 0.03 -1.57 0.00 0.00 179.24 178.04 1rap h ARG 91 N 0.62 0.83 -0.35 3.56 3.08 0.01 -1.97 114.38 120.16 1rap h ARG 91 Ca 0.16 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1rap h ARG 91 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1rap h ARG 91 CO -0.02 0.80 0.06 -0.91 -1.07 0.00 0.00 179.97 178.83 1rap h ASN 92 N 0.78 0.56 0.20 7.04 2.35 0.84 -0.57 115.58 126.78 1rap h ASN 92 Ca 0.16 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1rap h ASN 92 Cb 0.41 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1rap h ASN 92 CO 0.01 0.68 -0.38 0.44 -1.65 0.00 0.00 177.43 176.53 1rap h ASP 93 N 0.42 -1.09 -0.44 5.81 3.32 -1.19 -0.10 116.42 123.15 1rap h ASP 93 Ca 0.11 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1rap h ASP 93 Cb 0.36 0.40 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1rap h ASP 93 CO 0.01 -0.48 0.25 0.25 -1.72 0.00 0.00 179.24 177.55 1rap h LEU 94 N -0.66 0.40 -1.46 1.55 5.85 -1.29 -1.72 115.31 117.97 1rap h LEU 94 Ca 0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1rap h LEU 94 Cb 0.66 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1rap h LEU 94 CO -0.18 0.28 -0.16 0.40 -0.34 0.00 0.00 178.44 178.45 1rap h ILE 95 N 0.51 0.48 0.21 4.05 2.04 -1.01 -0.94 117.51 122.84 1rap h ILE 95 Ca 0.18 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1rap h ILE 95 Cb 0.03 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1rap h ILE 95 CO -0.09 0.16 -0.10 0.74 0.00 0.00 0.00 178.15 178.85 1rap h THR 96 N 0.00 0.85 -0.59 -0.27 2.02 -0.33 -2.67 112.91 111.92 1rap h THR 96 Ca -0.00 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.34 1rap h THR 96 Cb 0.57 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 1rap h THR 96 CO 0.02 0.18 0.37 0.22 0.37 0.00 0.00 175.52 176.68 1rap h TYR 97 N -0.75 0.71 -0.94 3.16 3.20 -1.25 -2.69 116.97 118.40 1rap h TYR 97 Ca -0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1rap h TYR 97 Cb 0.50 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1rap h TYR 97 CO 0.05 0.43 0.62 -0.07 -1.64 0.00 0.00 178.16 177.55 1rap h LEU 98 N 0.75 1.09 -0.76 2.82 3.38 -1.19 0.66 115.31 122.06 1rap h LEU 98 Ca 0.22 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1rap h LEU 98 Cb -0.04 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.38 1rap h LEU 98 CO -0.07 0.80 0.44 0.50 0.09 0.00 0.00 178.44 180.20 1rap h LYS 99 N 1.28 0.78 0.04 1.13 3.11 -1.34 0.57 116.57 122.14 1rap h LYS 99 Ca 0.34 -0.05 -0.30 0.00 -2.81 0.00 0.00 60.65 57.84 1rap h LYS 99 Cb -0.14 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 30.88 1rap h LYS 99 CO -0.07 0.51 -1.70 1.57 -2.81 0.00 0.00 179.45 176.94 1rap h LYS 100 N 0.80 0.08 0.02 1.90 2.10 -1.10 -3.40 116.57 116.97 1rap h LYS 100 Ca 0.35 -0.13 -0.21 0.00 -2.00 0.00 0.00 60.65 58.65 1rap h LYS 100 Cb 0.22 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 1rap h LYS 100 CO -0.20 0.73 -0.95 0.00 -2.00 0.00 0.00 179.45 177.04 1rap h ALA 101 N 0.76 0.43 -0.21 0.07 0.00 0.63 -3.33 119.26 117.62 1rap h ALA 101 Ca -0.29 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1rap h ALA 101 Cb 2.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1rap h ALA 101 CO 0.09 0.97 0.00 0.00 0.00 0.00 0.00 179.25 180.31