#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r53 h ARG 27 N 0.00 -0.51 -0.43 1.97 3.08 -2.05 -3.38 114.38 113.06 2r53 h ARG 27 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2r53 h ARG 27 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2r53 h ARG 27 CO 0.00 -0.21 0.00 -0.11 -1.07 0.00 0.00 179.97 178.58 2r53 n LEU 28 N -5.15 3.31 -0.45 3.04 7.94 -1.26 -4.29 117.00 120.14 2r53 n LEU 28 Ca -0.09 -2.11 0.10 0.00 -1.11 0.00 0.00 56.01 52.81 2r53 n LEU 28 Cb 0.27 -0.33 -0.00 0.00 0.53 0.00 0.00 43.42 43.89 2r53 n LEU 28 CO 0.25 0.78 0.29 1.17 -1.11 0.00 0.00 177.39 178.77 2r53 n LYS 29 N 0.69 1.38 -2.39 1.96 4.81 -1.26 -4.94 118.16 118.41 2r53 n LYS 29 Ca 0.16 -0.93 -0.24 0.00 -0.87 0.00 0.00 58.31 56.42 2r53 n LYS 29 Cb 0.53 -1.40 0.05 0.00 0.02 0.00 0.00 35.03 34.22 2r53 n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2r53 s ALA 30 N -2.27 3.42 -0.26 3.14 0.00 -1.26 -2.78 121.76 121.75 2r53 s ALA 30 Ca 0.17 -1.01 -0.37 0.00 0.00 0.00 0.00 51.96 50.75 2r53 s ALA 30 Cb 0.16 -2.43 -0.13 0.00 0.00 0.00 0.00 23.12 20.72 2r53 s ALA 30 CO 0.51 -1.02 1.96 0.00 0.00 0.00 0.00 175.76 177.21 2r53 s ARG 32 N 4.77 1.73 0.23 0.00 1.70 -0.85 -4.83 118.95 121.68 2r53 s ARG 32 Ca 1.01 -1.17 -0.29 0.00 -0.47 0.00 0.00 55.73 54.81 2r53 s ARG 32 Cb -0.88 0.54 -0.09 0.00 -0.57 0.00 0.00 34.95 33.95 2r53 s ARG 32 CO 0.55 -0.76 0.92 0.21 -1.08 0.00 0.00 175.30 175.14 2r53 s LYS 33 N -3.80 4.82 0.08 3.89 2.20 -1.26 -2.46 119.74 123.21 2r53 s LYS 33 Ca 0.17 1.45 0.09 0.00 -0.36 0.00 0.00 55.97 57.31 2r53 s LYS 33 Cb -0.03 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2r53 s LYS 33 CO 0.09 0.52 -0.23 -1.01 -0.36 0.00 0.00 175.35 174.36 2r53 s HIS 34 N -1.14 1.97 0.20 4.03 3.76 0.52 -4.98 115.29 119.64 2r53 s HIS 34 Ca 0.40 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.62 2r53 s HIS 34 Cb -0.26 -1.12 -0.08 0.00 1.11 0.00 0.00 32.58 32.23 2r53 s HIS 34 CO 0.31 0.18 1.10 -1.21 -0.85 0.00 0.00 174.74 174.28 2r53 s GLU 35 N -1.60 4.60 -0.26 1.40 0.41 -1.26 -1.77 118.70 120.22 2r53 s GLU 35 Ca 0.09 1.74 -0.08 0.00 -0.41 0.00 0.00 54.97 56.31 2r53 s GLU 35 Cb -0.10 -3.26 0.12 0.00 -1.78 0.00 0.00 34.13 29.11 2r53 s GLU 35 CO 0.03 0.10 0.54 -1.17 -0.49 0.00 0.00 175.26 174.27 2r53 s LEU 36 N -0.59 -0.93 -0.16 1.80 2.96 -1.26 -4.86 118.68 115.64 2r53 s LEU 36 Ca 0.48 1.24 -0.08 0.00 -0.22 0.00 0.00 54.13 55.55 2r53 s LEU 36 Cb -0.30 1.85 -0.04 0.00 0.50 0.00 0.00 46.19 48.20 2r53 s LEU 36 CO 0.36 -0.23 0.11 -0.47 -1.32 0.00 0.00 176.35 174.81 2r53 s TYR 37 N 2.76 3.44 -0.10 5.38 5.04 -1.26 -1.12 117.35 131.49 2r53 s TYR 37 Ca -0.02 0.35 0.04 0.00 -2.44 0.00 0.00 57.07 55.01 2r53 s TYR 37 Cb -0.12 -2.04 -0.00 0.00 0.35 0.00 0.00 41.96 40.15 2r53 s TYR 37 CO -0.16 0.45 -0.24 0.08 -1.34 0.00 0.00 175.55 174.33 2r53 s VAL 38 N -0.24 2.07 -0.14 3.14 1.01 0.45 -4.92 120.40 121.77 2r53 s VAL 38 Ca 0.10 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2r53 s VAL 38 Cb -0.12 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 2r53 s VAL 38 CO 0.01 0.56 0.26 -0.55 0.00 0.00 0.00 175.10 175.38 2r53 s SER 39 N 0.31 6.44 0.58 3.32 0.15 -1.26 -0.99 113.70 122.25 2r53 s SER 39 Ca -0.18 0.52 0.28 0.00 0.70 0.00 0.00 55.95 57.27 2r53 s SER 39 Cb -0.18 -2.16 1.76 0.00 -1.71 0.00 0.00 66.02 63.73 2r53 s SER 39 CO 0.09 0.19 2.24 -0.26 1.20 0.00 0.00 173.24 176.70 2r53 h PHE 40 N 6.16 0.00 -0.20 3.44 0.04 -1.62 -1.12 116.94 123.64 2r53 h PHE 40 Ca -0.45 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.27 2r53 h PHE 40 Cb 1.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2r53 h PHE 40 CO 0.64 0.00 -0.11 0.37 -0.60 0.00 0.00 178.31 178.61 2r53 h GLN 41 N 0.00 0.32 0.00 1.51 4.15 -1.88 0.06 115.11 119.28 2r53 h GLN 41 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 2r53 h GLN 41 Cb 0.01 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.65 2r53 h GLN 41 CO 0.00 0.45 0.00 -0.25 -1.93 0.00 0.00 178.83 177.10 2r53 n ASP 42 N -4.26 0.18 -0.04 -0.69 8.00 -0.43 -2.75 116.55 116.57 2r53 n ASP 42 Ca -0.00 0.53 0.03 0.00 0.71 0.00 0.00 54.79 56.06 2r53 n ASP 42 Cb 0.28 -0.57 -0.16 0.00 -0.02 0.00 0.00 41.12 40.65 2r53 n ASP 42 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2r53 n LEU 43 N -1.68 0.06 0.00 0.64 4.32 -0.27 -5.01 117.00 115.06 2r53 n LEU 43 Ca 0.05 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2r53 n LEU 43 Cb 0.28 0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 2r53 n LEU 43 CO 0.22 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 2r53 n GLY 44 N 1.43 1.58 1.95 -0.72 0.00 -0.15 -5.00 105.19 104.29 2r53 n GLY 44 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 2r53 n GLY 44 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2r53 n TRP 45 N -1.02 2.35 -0.33 1.61 5.03 -0.58 -4.75 117.44 119.74 2r53 n TRP 45 Ca 0.00 -1.14 0.17 0.00 3.03 0.00 0.00 57.50 59.57 2r53 n TRP 45 Cb 0.00 -0.66 0.38 0.00 -1.03 0.00 0.00 31.31 30.00 2r53 n TRP 45 CO 0.00 0.00 0.00 0.37 -0.03 0.00 0.00 177.69 178.03 2r53 h GLN 46 N 2.56 0.49 0.00 -0.99 4.15 -1.85 -3.09 115.11 116.38 2r53 h GLN 46 Ca 0.25 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2r53 h GLN 46 Cb 2.26 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.84 2r53 h GLN 46 CO 0.71 0.32 -0.41 -0.25 -1.93 0.00 0.00 178.83 177.27 2r53 n ASP 47 N -4.95 1.03 0.01 -0.69 9.92 -1.26 -4.69 116.55 115.92 2r53 n ASP 47 Ca 0.26 -0.47 0.11 0.00 -0.53 0.00 0.00 54.79 54.17 2r53 n ASP 47 Cb 0.76 1.04 -0.05 0.00 -0.64 0.00 0.00 41.12 42.23 2r53 n ASP 47 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 2r53 n TRP 48 N -1.22 0.08 -3.37 1.24 4.27 -1.24 -4.93 117.44 112.28 2r53 n TRP 48 Ca 0.00 0.02 -0.38 0.00 -3.89 0.00 0.00 57.50 53.26 2r53 n TRP 48 Cb 0.07 -0.24 -0.06 0.00 -1.36 0.00 0.00 31.31 29.72 2r53 n TRP 48 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 2r53 s ILE 49 N -3.15 5.03 -0.26 -1.67 1.10 -1.17 -1.19 121.20 119.90 2r53 s ILE 49 Ca 0.04 0.98 -0.12 0.00 -0.51 0.00 0.00 60.65 61.04 2r53 s ILE 49 Cb 0.15 -3.80 -0.15 0.00 0.15 0.00 0.00 42.46 38.81 2r53 s ILE 49 CO 0.84 0.47 -0.21 -0.38 -2.11 0.00 0.00 174.94 173.54 2r53 n ILE 50 N 2.58 1.54 -3.62 2.00 5.41 0.45 -4.94 119.36 122.78 2r53 n ILE 50 Ca -0.10 -0.37 -0.06 0.00 1.00 0.00 0.00 62.75 63.22 2r53 n ILE 50 Cb 0.52 -1.83 -0.05 0.00 -0.71 0.00 0.00 39.64 37.57 2r53 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2r53 s ALA 51 N -2.49 -2.05 1.05 -1.39 0.00 -1.01 -4.79 121.76 111.08 2r53 s ALA 51 Ca -0.36 1.76 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 2r53 s ALA 51 Cb 0.12 -1.26 0.17 0.00 0.00 0.00 0.00 23.12 22.16 2r53 s ALA 51 CO 0.54 -0.25 0.87 -0.35 0.00 0.00 0.00 175.76 176.57 2r53 n PRO 52 N 0.85 -1.35 0.00 0.00 -0.04 -1.26 -0.25 135.00 132.94 2r53 n PRO 52 Ca -0.06 -1.35 0.11 0.00 -0.04 0.00 0.00 63.50 62.16 2r53 n PRO 52 Cb 0.58 -0.99 0.05 0.00 -0.04 0.00 0.00 33.50 33.09 2r53 n PRO 52 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2r53 n LYS 53 N -3.19 0.36 -3.82 0.54 4.76 -1.26 -4.94 118.16 110.60 2r53 n LYS 53 Ca 0.11 -0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2r53 n LYS 53 Cb 0.40 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 32.11 2r53 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2r53 n GLY 54 N 1.46 0.40 3.42 0.72 0.00 -1.26 -1.44 105.19 108.49 2r53 n GLY 54 Ca 0.06 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 2r53 n GLY 54 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r53 s TYR 55 N -2.17 -0.52 -0.91 1.61 1.13 -0.16 -4.95 117.35 111.38 2r53 s TYR 55 Ca 0.26 0.36 -0.21 0.00 -1.41 0.00 0.00 57.07 56.06 2r53 s TYR 55 Cb -0.02 0.53 0.09 0.00 -1.10 0.00 0.00 41.96 41.46 2r53 s TYR 55 CO 0.02 -0.82 1.20 0.00 -2.51 0.00 0.00 175.55 173.44 2r53 s ALA 56 N -3.56 3.11 0.12 9.51 0.00 -1.26 -0.41 121.76 129.28 2r53 s ALA 56 Ca 0.00 -2.42 -0.11 0.00 0.00 0.00 0.00 51.96 49.44 2r53 s ALA 56 Cb -0.01 -4.17 -0.09 0.00 0.00 0.00 0.00 23.12 18.85 2r53 s ALA 56 CO -0.11 -3.15 1.38 0.00 0.00 0.00 0.00 175.76 173.87 2r53 h ALA 57 N 9.28 0.43 -1.56 0.00 0.00 -1.38 -3.43 119.26 122.60 2r53 h ALA 57 Ca 0.08 -0.55 0.12 0.00 0.00 0.00 0.00 54.91 54.56 2r53 h ALA 57 Cb 1.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2r53 h ALA 57 CO 1.22 0.69 -0.16 0.09 0.00 0.00 0.00 179.25 181.09 2r53 n ASN 58 N -3.97 -4.35 -3.58 0.00 3.02 -0.59 -1.52 115.26 104.27 2r53 n ASN 58 Ca -0.05 0.47 -0.05 0.00 -0.03 0.00 0.00 54.58 54.91 2r53 n ASN 58 Cb 0.68 -1.31 -0.02 0.00 -0.61 0.00 0.00 39.78 38.51 2r53 n ASN 58 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2r53 s TYR 59 N -0.87 -0.17 -0.12 3.10 -0.85 -0.73 -4.76 117.35 112.96 2r53 s TYR 59 Ca 0.00 0.13 -0.07 0.00 -0.52 0.00 0.00 57.07 56.61 2r53 s TYR 59 Cb 0.00 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 2r53 s TYR 59 CO 0.00 -0.25 0.14 0.00 -1.52 0.00 0.00 175.55 173.93 2r53 s ASP 61 N -1.05 -0.51 0.00 0.00 2.15 -1.03 -4.92 116.67 111.32 2r53 s ASP 61 Ca 0.15 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.25 2r53 s ASP 61 Cb -0.12 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 2r53 s ASP 61 CO 0.04 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 2r53 n GLY 62 N -0.11 3.68 3.79 2.66 0.00 -1.26 -2.01 105.19 111.94 2r53 n GLY 62 Ca -0.14 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 2r53 n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r53 s GLU 63 N -3.54 3.94 -0.29 1.61 2.02 -1.12 -4.30 118.70 117.03 2r53 s GLU 63 Ca 0.00 1.48 -0.05 0.00 0.02 0.00 0.00 54.97 56.42 2r53 s GLU 63 Cb 0.00 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.93 2r53 s GLU 63 CO 0.00 -0.33 0.04 0.00 0.02 0.00 0.00 175.26 174.99 2r53 s SER 65 N 1.41 -0.20 0.53 0.00 1.04 -1.26 -4.69 113.70 110.53 2r53 s SER 65 Ca 0.01 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 55.86 2r53 s SER 65 Cb -0.18 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 2r53 s SER 65 CO 0.00 -0.87 1.30 0.49 0.98 0.00 0.00 173.24 175.14 2r53 n PHE 66 N -0.44 2.12 -2.60 5.02 3.72 -1.26 -4.32 117.46 119.70 2r53 n PHE 66 Ca -0.06 0.44 -0.39 0.00 -0.05 0.00 0.00 57.45 57.39 2r53 n PHE 66 Cb 0.61 -2.34 -0.05 0.00 -0.94 0.00 0.00 39.48 36.76 2r53 n PHE 66 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2r53 s PRO 67 N -2.73 4.60 0.09 -1.08 0.04 -1.26 -4.95 135.00 129.70 2r53 s PRO 67 Ca 0.70 1.61 0.05 0.00 0.04 0.00 0.00 61.00 63.40 2r53 s PRO 67 Cb -0.43 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 2r53 s PRO 67 CO 0.51 0.23 -0.14 -0.51 0.04 0.00 0.00 177.00 177.13 2r53 s LEU 68 N -1.68 2.33 -0.17 -3.56 1.43 -1.26 -5.11 118.68 110.65 2r53 s LEU 68 Ca 0.47 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2r53 s LEU 68 Cb -0.27 -0.51 0.05 0.00 0.03 0.00 0.00 46.19 45.50 2r53 s LEU 68 CO 0.34 -0.11 0.02 0.21 0.23 0.00 0.00 176.35 177.04 2r53 s ASN 69 N -2.01 2.69 0.51 2.29 3.84 -1.26 -5.01 114.94 115.98 2r53 s ASN 69 Ca 0.02 -0.69 0.29 0.00 0.21 0.00 0.00 52.86 52.69 2r53 s ASN 69 Cb -0.08 -0.59 1.22 0.00 -0.55 0.00 0.00 41.25 41.25 2r53 s ASN 69 CO 0.02 -0.28 1.94 0.00 -2.79 0.00 0.00 177.10 175.99 2r53 h ALA 70 N 8.25 1.03 0.00 1.71 0.00 -1.86 -1.94 119.26 126.45 2r53 h ALA 70 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2r53 h ALA 70 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2r53 h ALA 70 CO 0.33 0.13 -0.27 0.72 0.00 0.00 0.00 179.25 180.15 2r53 n HIS 71 N -3.26 0.01 -2.19 0.00 8.25 -1.26 -4.59 115.22 112.18 2r53 n HIS 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2r53 n HIS 71 Cb 0.34 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.09 2r53 n HIS 71 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2r53 n MET 72 N -1.51 3.98 0.18 -0.41 2.81 -1.07 -5.00 117.12 116.10 2r53 n MET 72 Ca 0.06 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.97 2r53 n MET 72 Cb 0.34 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 32.95 2r53 n MET 72 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2r53 h ASN 73 N 0.00 0.00 -1.22 7.83 2.35 -1.87 -3.44 115.58 119.23 2r53 h ASN 73 Ca 0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.30 2r53 h ASN 73 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 2r53 h ASN 73 CO 0.00 0.00 -0.21 0.00 -1.65 0.00 0.00 177.43 175.57 2r53 s ALA 74 N -3.17 4.58 0.32 -0.83 0.00 -0.75 -3.16 121.76 118.74 2r53 s ALA 74 Ca -0.00 -1.83 0.09 0.00 0.00 0.00 0.00 51.96 50.22 2r53 s ALA 74 Cb 0.01 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.52 2r53 s ALA 74 CO 0.03 -0.47 -0.11 0.95 0.00 0.00 0.00 175.76 176.17 2r53 s THR 75 N -2.46 2.15 0.24 0.00 -4.23 -1.23 -4.24 115.64 105.87 2r53 s THR 75 Ca 0.57 -2.22 -0.07 0.00 -1.18 0.00 0.00 61.69 58.78 2r53 s THR 75 Cb -0.08 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.44 2r53 s THR 75 CO 0.35 -0.26 1.91 0.78 -0.54 0.00 0.00 174.62 176.85 2r53 h ASN 76 N 2.13 1.03 -0.86 3.99 -0.26 -1.96 -2.26 115.58 117.40 2r53 h ASN 76 Ca -0.41 -0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.33 2r53 h ASN 76 Cb 1.25 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 38.21 2r53 h ASN 76 CO 0.68 0.74 0.56 -0.74 -1.06 0.00 0.00 177.43 177.60 2r53 h HIS 77 N 1.21 1.05 -0.25 1.19 2.76 -1.97 -1.85 115.15 117.29 2r53 h HIS 77 Ca 0.34 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.49 2r53 h HIS 77 Cb -0.10 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.49 2r53 h HIS 77 CO -0.01 0.63 -0.04 0.00 -1.30 0.00 0.00 177.93 177.21 2r53 h ALA 78 N 1.34 1.47 -0.01 5.26 0.00 -1.71 0.45 119.26 126.05 2r53 h ALA 78 Ca 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2r53 h ALA 78 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2r53 h ALA 78 CO -0.10 0.38 -0.00 0.82 0.00 0.00 0.00 179.25 180.35 2r53 h ILE 79 N 0.37 1.31 -0.76 0.00 2.04 -1.15 -0.82 117.51 118.50 2r53 h ILE 79 Ca 0.08 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2r53 h ILE 79 Cb 0.31 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 2r53 h ILE 79 CO 0.01 0.24 0.48 0.58 0.00 0.00 0.00 178.15 179.46 2r53 h VAL 80 N -0.35 1.21 -0.85 1.67 2.07 -1.05 -2.39 116.25 116.55 2r53 h VAL 80 Ca 0.00 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2r53 h VAL 80 Cb 0.39 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2r53 h VAL 80 CO 0.00 0.21 0.42 -0.61 0.02 0.00 0.00 177.57 177.61 2r53 h GLN 81 N 1.03 1.21 -0.80 1.57 4.15 -0.82 -2.09 115.11 119.37 2r53 h GLN 81 Ca 0.27 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.55 2r53 h GLN 81 Cb -0.07 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 27.35 2r53 h GLN 81 CO -0.06 0.92 0.51 1.15 -1.93 0.00 0.00 178.83 179.43 2r53 h THR 82 N 1.20 1.14 -0.55 2.39 2.02 -0.66 -0.83 112.91 117.61 2r53 h THR 82 Ca 0.29 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 2r53 h THR 82 Cb 0.09 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 2r53 h THR 82 CO -0.04 0.18 -0.11 -0.07 0.37 0.00 0.00 175.52 175.86 2r53 h LEU 83 N 1.00 1.04 -0.85 2.58 3.38 -1.09 -1.92 115.31 119.46 2r53 h LEU 83 Ca 0.31 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2r53 h LEU 83 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2r53 h LEU 83 CO -0.10 1.15 -0.35 0.58 0.09 0.00 0.00 178.44 179.81 2r53 h VAL 84 N 0.92 1.29 -0.54 1.22 2.07 -1.08 -2.91 116.25 117.22 2r53 h VAL 84 Ca 0.14 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 2r53 h VAL 84 Cb 0.68 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2r53 h VAL 84 CO 0.05 0.45 0.13 -0.74 0.02 0.00 0.00 177.57 177.48 2r53 h HIS 85 N 0.37 0.91 0.00 1.57 -0.00 -0.89 -1.47 115.15 115.64 2r53 h HIS 85 Ca 0.04 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2r53 h HIS 85 Cb 0.79 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.94 2r53 h HIS 85 CO 0.02 0.79 -0.02 -0.07 -0.00 0.00 0.00 177.93 178.65 2r53 h LEU 86 N 0.77 0.00 0.00 0.26 3.38 -1.16 0.31 115.31 118.86 2r53 h LEU 86 Ca 0.17 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.89 2r53 h LEU 86 Cb 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2r53 h LEU 86 CO 0.00 0.02 -1.92 0.23 0.09 0.00 0.00 178.44 176.87 2r53 n MET 87 N -3.60 0.65 -3.11 1.13 2.81 -0.98 -4.61 117.12 109.41 2r53 n MET 87 Ca -0.03 0.10 -0.19 0.00 -1.81 0.00 0.00 57.70 55.77 2r53 n MET 87 Cb 0.11 -1.66 -0.03 0.00 -0.71 0.00 0.00 33.22 30.93 2r53 n MET 87 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2r53 n ASN 88 N -2.79 -0.04 0.09 7.83 4.13 -0.59 -4.99 115.26 118.90 2r53 n ASN 88 Ca -0.19 -2.97 0.05 0.00 1.68 0.00 0.00 54.58 53.15 2r53 n ASN 88 Cb 0.97 -0.19 0.27 0.00 -1.54 0.00 0.00 39.78 39.29 2r53 n ASN 88 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2r53 n PRO 89 N 0.87 0.07 0.00 3.52 -0.04 0.11 -1.10 135.00 138.42 2r53 n PRO 89 Ca 0.20 0.53 0.10 0.00 -0.04 0.00 0.00 63.50 64.29 2r53 n PRO 89 Cb 0.61 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 2r53 n PRO 89 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2r53 n GLU 90 N -1.83 0.03 -0.10 0.54 4.71 -1.26 -4.45 120.64 118.27 2r53 n GLU 90 Ca -0.01 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.16 56.97 2r53 n GLU 90 Cb 0.10 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 28.94 2r53 n GLU 90 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2r53 n TYR 91 N -1.47 0.00 -4.53 -0.32 9.36 -0.25 -4.97 117.16 114.97 2r53 n TYR 91 Ca 0.04 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.97 2r53 n TYR 91 Cb 0.33 -0.78 -0.17 0.00 -0.63 0.00 0.00 39.34 38.10 2r53 n TYR 91 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2r53 s VAL 92 N -2.41 1.60 0.74 2.97 1.01 -0.89 -5.14 120.40 118.29 2r53 s VAL 92 Ca -0.28 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 2r53 s VAL 92 Cb 0.07 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2r53 s VAL 92 CO 0.46 0.46 1.12 -2.16 0.00 0.00 0.00 175.10 174.99 2r53 s PRO 93 N 0.91 2.53 0.76 2.72 0.04 -1.26 -4.44 135.00 136.26 2r53 s PRO 93 Ca -0.08 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.17 2r53 s PRO 93 Cb -0.15 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2r53 s PRO 93 CO -0.01 -1.23 1.10 0.15 0.04 0.00 0.00 177.00 177.05 2r53 s LYS 94 N -5.43 2.25 0.98 4.56 1.02 -1.26 -4.82 119.74 117.04 2r53 s LYS 94 Ca 0.59 1.27 -0.12 0.00 0.02 0.00 0.00 55.97 57.74 2r53 s LYS 94 Cb -0.11 -1.89 0.18 0.00 -0.52 0.00 0.00 37.83 35.49 2r53 s LYS 94 CO 0.51 -1.66 1.09 -2.14 -0.92 0.00 0.00 175.35 172.23 2r53 s PRO 95 N -4.67 0.57 0.25 -1.68 0.02 -1.26 -5.04 135.00 123.18 2r53 s PRO 95 Ca 0.63 0.62 0.11 0.00 0.02 0.00 0.00 61.00 62.39 2r53 s PRO 95 Cb -0.19 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 2r53 s PRO 95 CO 0.53 -2.66 -0.19 0.00 -0.33 0.00 0.00 177.00 174.34 2r53 s ALA 98 N 3.52 0.62 0.34 0.00 0.00 0.17 -4.67 121.76 121.74 2r53 s ALA 98 Ca 0.48 -1.31 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 2r53 s ALA 98 Cb -0.16 0.86 -0.11 0.00 0.00 0.00 0.00 23.12 23.71 2r53 s ALA 98 CO 0.12 -0.53 1.41 -2.14 0.00 0.00 0.00 175.76 174.62 2r53 s PRO 99 N -4.02 4.23 -0.01 0.00 0.02 -1.26 -0.04 135.00 133.92 2r53 s PRO 99 Ca 0.22 2.39 0.08 0.00 0.02 0.00 0.00 61.00 63.71 2r53 s PRO 99 Cb 0.06 -3.03 -0.12 0.00 0.02 0.00 0.00 34.50 31.44 2r53 s PRO 99 CO 0.01 -0.37 0.22 0.25 -0.33 0.00 0.00 177.00 176.78 2r53 n THR 100 N 0.83 0.00 -3.72 0.99 -2.24 -0.11 -4.77 114.28 105.26 2r53 n THR 100 Ca 0.01 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 2r53 n THR 100 Cb 0.40 0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 69.00 2r53 n THR 100 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2r53 s LYS 101 N -2.35 0.23 -0.00 -0.78 2.20 -1.16 -4.97 119.74 112.91 2r53 s LYS 101 Ca -0.01 0.57 0.04 0.00 -0.36 0.00 0.00 55.97 56.21 2r53 s LYS 101 Cb 0.05 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.26 2r53 s LYS 101 CO 0.33 -0.16 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.51 2r53 s LEU 102 N 1.28 2.05 0.23 5.43 1.43 -1.26 -0.73 118.68 127.11 2r53 s LEU 102 Ca -0.09 -0.28 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 2r53 s LEU 102 Cb -0.10 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 2r53 s LEU 102 CO -0.09 0.15 -0.07 0.20 0.23 0.00 0.00 176.35 176.77 2r53 s ASN 103 N -0.43 4.27 0.68 2.29 0.02 0.70 -4.75 114.94 117.73 2r53 s ASN 103 Ca 0.05 -0.67 -0.05 0.00 -1.02 0.00 0.00 52.86 51.16 2r53 s ASN 103 Cb -0.06 -0.71 0.06 0.00 0.02 0.00 0.00 41.25 40.57 2r53 s ASN 103 CO -0.00 0.05 0.98 0.00 0.02 0.00 0.00 177.10 178.15 2r53 s ALA 104 N -2.07 3.30 -0.01 0.60 0.00 -1.26 -1.10 121.76 121.22 2r53 s ALA 104 Ca 0.28 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2r53 s ALA 104 Cb -0.07 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.57 2r53 s ALA 104 CO 0.17 -1.23 0.05 0.96 0.00 0.00 0.00 175.76 175.70 2r53 s ILE 105 N -3.17 0.04 -0.05 0.00 -5.25 -0.34 -4.80 121.20 107.64 2r53 s ILE 105 Ca 0.60 -0.33 0.00 0.00 -0.99 0.00 0.00 60.65 59.94 2r53 s ILE 105 Cb -0.10 -0.18 -0.03 0.00 2.95 0.00 0.00 42.46 45.09 2r53 s ILE 105 CO 0.44 -0.18 -0.02 -0.44 -1.79 0.00 0.00 174.94 172.94 2r53 s SER 106 N -0.54 4.99 0.04 4.36 0.01 -1.26 -0.26 113.70 121.04 2r53 s SER 106 Ca -0.06 0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.27 2r53 s SER 106 Cb -0.04 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.85 2r53 s SER 106 CO 0.00 0.34 -0.12 0.68 0.41 0.00 0.00 173.24 174.55 2r53 s VAL 107 N -0.93 0.93 -0.24 3.43 -7.23 0.61 -4.58 120.40 112.39 2r53 s VAL 107 Ca 0.15 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.29 2r53 s VAL 107 Cb -0.11 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 2r53 s VAL 107 CO 0.05 -0.08 0.07 -0.76 -0.31 0.00 0.00 175.10 174.07 2r53 s LEU 108 N -1.17 3.47 0.20 1.32 1.43 0.65 -0.49 118.68 124.09 2r53 s LEU 108 Ca -0.01 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 2r53 s LEU 108 Cb -0.08 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2r53 s LEU 108 CO 0.01 -0.01 0.20 -0.72 0.23 0.00 0.00 176.35 176.06 2r53 s TYR 109 N 1.46 0.91 -0.04 0.29 -0.85 0.39 -0.41 117.35 119.08 2r53 s TYR 109 Ca 0.06 -1.19 -0.02 0.00 -0.52 0.00 0.00 57.07 55.40 2r53 s TYR 109 Cb -0.15 -0.37 -0.04 0.00 0.38 0.00 0.00 41.96 41.79 2r53 s TYR 109 CO 0.04 -0.69 0.08 -0.06 -1.52 0.00 0.00 175.55 173.39 2r53 s PHE 110 N -4.10 3.34 0.00 -3.49 2.99 -0.33 -0.76 117.98 115.62 2r53 s PHE 110 Ca 0.32 0.28 0.00 0.00 0.00 0.00 0.00 56.93 57.53 2r53 s PHE 110 Cb 0.05 -1.79 0.00 0.00 0.00 0.00 0.00 43.02 41.28 2r53 s PHE 110 CO 0.09 0.58 0.00 -0.40 -0.00 0.00 0.00 175.22 175.49 2r53 n ASP 111 N 1.52 0.90 0.09 1.36 5.68 -1.10 -4.87 116.55 120.13 2r53 n ASP 111 Ca -0.15 -0.84 0.12 0.00 -0.50 0.00 0.00 54.79 53.41 2r53 n ASP 111 Cb 0.53 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.97 2r53 n ASP 111 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2r53 n ASP 112 N -1.77 0.58 -1.43 -1.12 5.75 -1.26 -2.98 116.55 114.33 2r53 n ASP 112 Ca 0.00 0.60 0.08 0.00 -0.01 0.00 0.00 54.79 55.46 2r53 n ASP 112 Cb 0.00 -0.74 0.34 0.00 -1.03 0.00 0.00 41.12 39.69 2r53 n ASP 112 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2r53 n ASN 113 N -2.10 4.83 -0.81 -1.12 3.02 -1.26 -4.93 115.26 112.90 2r53 n ASN 113 Ca 0.04 -2.88 -0.11 0.00 -0.03 0.00 0.00 54.58 51.60 2r53 n ASN 113 Cb 0.31 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 2r53 n ASN 113 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2r53 n SER 114 N 0.24 -4.85 -4.74 6.41 2.88 -1.16 -4.98 113.62 107.41 2r53 n SER 114 Ca 0.25 0.26 -0.41 0.00 -1.33 0.00 0.00 58.87 57.64 2r53 n SER 114 Cb 1.02 -3.28 -0.04 0.00 -0.75 0.00 0.00 64.21 61.16 2r53 n SER 114 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2r53 s ASN 115 N -2.61 7.30 -0.26 -3.46 0.01 -1.26 -4.85 114.94 109.81 2r53 s ASN 115 Ca 0.00 2.06 -0.17 0.00 -0.71 0.00 0.00 52.86 54.03 2r53 s ASN 115 Cb 0.00 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 2r53 s ASN 115 CO 0.00 -0.19 0.49 -0.69 -1.51 0.00 0.00 177.10 175.20 2r53 s VAL 116 N -0.25 5.09 -0.04 1.60 1.01 -1.26 -2.73 120.40 123.82 2r53 s VAL 116 Ca 0.49 0.83 0.06 0.00 0.00 0.00 0.00 61.98 63.37 2r53 s VAL 116 Cb -0.29 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2r53 s VAL 116 CO 0.34 0.11 -0.23 -0.63 0.00 0.00 0.00 175.10 174.69 2r53 s ILE 117 N 2.19 2.27 -0.18 2.22 1.01 0.06 -4.98 121.20 123.78 2r53 s ILE 117 Ca 0.20 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2r53 s ILE 117 Cb -0.16 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2r53 s ILE 117 CO 0.09 0.58 -0.00 -0.22 0.00 0.00 0.00 174.94 175.39 2r53 s LEU 118 N -0.50 3.34 -0.02 2.97 2.96 -1.26 -0.46 118.68 125.71 2r53 s LEU 118 Ca 0.07 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2r53 s LEU 118 Cb -0.11 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2r53 s LEU 118 CO 0.01 0.11 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.26 2r53 s LYS 119 N 0.72 1.17 -0.20 1.98 2.20 0.36 -4.96 119.74 121.00 2r53 s LYS 119 Ca -0.00 -0.48 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 2r53 s LYS 119 Cb -0.14 -1.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.03 2r53 s LYS 119 CO 0.02 0.26 0.07 0.21 -0.36 0.00 0.00 175.35 175.56 2r53 s LYS 120 N -0.21 3.94 -0.26 4.03 2.20 -1.26 -0.28 119.74 127.90 2r53 s LYS 120 Ca 0.03 -0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.24 2r53 s LYS 120 Cb -0.06 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 2r53 s LYS 120 CO -0.00 0.19 -0.00 0.71 -0.36 0.00 0.00 175.35 175.89 2r53 s TYR 121 N 0.59 3.07 0.60 4.03 2.02 0.65 -4.97 117.35 123.34 2r53 s TYR 121 Ca 0.04 -1.17 -0.13 0.00 -0.37 0.00 0.00 57.07 55.44 2r53 s TYR 121 Cb -0.13 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2r53 s TYR 121 CO 0.01 -0.62 1.03 1.03 -1.57 0.00 0.00 175.55 175.43 2r53 s ARG 122 N 1.43 3.55 -1.27 -0.62 0.52 -1.26 -1.20 118.95 120.10 2r53 s ARG 122 Ca 0.03 0.91 -0.12 0.00 -0.52 0.00 0.00 55.73 56.03 2r53 s ARG 122 Cb -0.16 -2.07 -0.00 0.00 0.52 0.00 0.00 34.95 33.23 2r53 s ARG 122 CO -0.02 -0.61 0.60 0.09 0.02 0.00 0.00 175.30 175.39 2r53 n ASN 123 N -2.36 -2.76 -0.02 0.23 3.02 -1.24 -4.90 115.26 107.23 2r53 n ASN 123 Ca 0.07 -1.03 0.02 0.00 -0.03 0.00 0.00 54.58 53.60 2r53 n ASN 123 Cb 0.54 -3.11 -0.08 0.00 -0.61 0.00 0.00 39.78 36.51 2r53 n ASN 123 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2r53 n MET 124 N -4.35 1.09 -4.45 3.52 2.81 -0.45 -4.93 117.12 110.36 2r53 n MET 124 Ca -0.20 -0.06 -0.33 0.00 -1.81 0.00 0.00 57.70 55.30 2r53 n MET 124 Cb 0.64 -1.25 -0.16 0.00 -0.71 0.00 0.00 33.22 31.73 2r53 n MET 124 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2r53 s VAL 125 N -2.55 2.24 -0.18 2.03 1.01 -0.26 -4.62 120.40 118.07 2r53 s VAL 125 Ca -0.04 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 2r53 s VAL 125 Cb 0.05 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 2r53 s VAL 125 CO 0.43 0.53 1.01 -0.69 0.00 0.00 0.00 175.10 176.38 2r53 s VAL 126 N 0.98 4.74 -0.20 2.92 1.01 -0.58 -0.21 120.40 129.06 2r53 s VAL 126 Ca -0.03 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.01 2r53 s VAL 126 Cb -0.15 -4.29 -0.16 0.00 0.00 0.00 0.00 36.38 31.78 2r53 s VAL 126 CO -0.05 -0.09 -0.11 0.54 0.00 0.00 0.00 175.10 175.39 2r53 n ARG 127 N 5.72 0.77 -3.88 2.72 5.12 0.10 -4.78 116.66 122.42 2r53 n ARG 127 Ca 0.10 0.08 -0.10 0.00 -1.93 0.00 0.00 57.85 56.00 2r53 n ARG 127 Cb 0.47 -1.43 -0.09 0.00 -1.16 0.00 0.00 32.46 30.25 2r53 n ARG 127 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2r53 s ALA 128 N -2.42 -0.25 0.16 7.54 0.00 -1.17 -4.93 121.76 120.69 2r53 s ALA 128 Ca -0.22 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2r53 s ALA 128 Cb 0.07 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2r53 s ALA 128 CO 0.56 -0.31 -0.14 0.00 0.00 0.00 0.00 175.76 175.86 2r53 s GLY 130 N -2.83 0.29 -0.30 0.00 0.00 0.94 -4.79 107.32 100.63 2r53 s GLY 130 Ca 0.15 -0.65 -0.20 0.00 0.00 0.00 0.00 44.72 44.02 2r53 s GLY 130 CO 0.04 -0.44 0.63 0.00 0.00 0.00 0.00 173.10 173.33