#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r52 n THR 29 N 0.00 0.00 -2.18 3.15 5.66 -1.26 -4.87 114.28 114.78 2r52 n THR 29 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 2r52 n THR 29 Cb 0.00 -0.46 -0.01 0.00 -1.55 0.00 0.00 70.33 68.31 2r52 n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2r52 s ALA 30 N -2.00 3.03 -0.13 1.79 0.00 -1.26 -0.18 121.76 123.00 2r52 s ALA 30 Ca 0.43 0.12 -0.35 0.00 0.00 0.00 0.00 51.96 52.16 2r52 s ALA 30 Cb 0.20 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 20.07 2r52 s ALA 30 CO 0.33 -0.46 1.88 0.00 0.00 0.00 0.00 175.76 177.51 2r52 s ARG 32 N 4.12 1.87 -0.18 0.00 1.70 -0.15 -4.85 118.95 121.45 2r52 s ARG 32 Ca 0.94 -1.29 -0.22 0.00 -0.47 0.00 0.00 55.73 54.70 2r52 s ARG 32 Cb -0.75 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.16 2r52 s ARG 32 CO 0.54 -0.83 0.67 0.21 -1.08 0.00 0.00 175.30 174.80 2r52 s LYS 33 N -3.38 4.25 -0.16 3.89 2.36 -1.26 -2.33 119.74 123.10 2r52 s LYS 33 Ca 0.18 0.70 -0.05 0.00 -2.55 0.00 0.00 55.97 54.25 2r52 s LYS 33 Cb -0.04 -3.56 -0.03 0.00 -1.05 0.00 0.00 37.83 33.15 2r52 s LYS 33 CO 0.11 -0.22 0.01 -1.01 1.55 0.00 0.00 175.35 175.79 2r52 s HIS 34 N 1.83 3.14 0.34 4.03 3.76 0.63 -4.96 115.29 124.05 2r52 s HIS 34 Ca 0.31 -0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 2r52 s HIS 34 Cb -0.16 -1.99 -0.11 0.00 1.11 0.00 0.00 32.58 31.43 2r52 s HIS 34 CO 0.11 0.10 1.39 -1.21 -0.85 0.00 0.00 174.74 174.28 2r52 s GLU 35 N 0.24 4.25 -0.29 1.40 0.41 -1.26 -1.24 118.70 122.21 2r52 s GLU 35 Ca 0.00 2.36 -0.02 0.00 -0.41 0.00 0.00 54.97 56.90 2r52 s GLU 35 Cb -0.13 -3.04 0.18 0.00 -1.78 0.00 0.00 34.13 29.36 2r52 s GLU 35 CO 0.02 -0.35 0.57 -1.17 -0.49 0.00 0.00 175.26 173.84 2r52 s LEU 36 N -1.70 -1.26 -0.01 1.80 2.96 -1.26 -4.82 118.68 114.38 2r52 s LEU 36 Ca 0.52 0.85 -0.21 0.00 -0.22 0.00 0.00 54.13 55.07 2r52 s LEU 36 Cb -0.43 2.03 -0.05 0.00 0.50 0.00 0.00 46.19 48.24 2r52 s LEU 36 CO 0.55 -0.26 0.63 -0.47 -1.32 0.00 0.00 176.35 175.48 2r52 s TYR 37 N 2.82 3.67 -0.17 5.38 6.14 -1.26 -0.88 117.35 133.05 2r52 s TYR 37 Ca 0.17 1.23 -0.01 0.00 0.64 0.00 0.00 57.07 59.10 2r52 s TYR 37 Cb -0.15 -2.66 -0.01 0.00 0.42 0.00 0.00 41.96 39.57 2r52 s TYR 37 CO -0.20 0.30 -0.12 0.08 0.64 0.00 0.00 175.55 176.25 2r52 s VAL 38 N -0.01 2.94 -0.20 3.14 1.01 0.24 -4.90 120.40 122.62 2r52 s VAL 38 Ca 0.33 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2r52 s VAL 38 Cb -0.18 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2r52 s VAL 38 CO 0.18 0.50 0.18 -0.55 0.00 0.00 0.00 175.10 175.41 2r52 s SER 39 N 0.86 6.24 0.40 3.32 0.15 -1.26 -1.17 113.70 122.24 2r52 s SER 39 Ca -0.03 0.27 0.29 0.00 0.70 0.00 0.00 55.95 57.17 2r52 s SER 39 Cb -0.15 -2.12 1.35 0.00 -1.71 0.00 0.00 66.02 63.39 2r52 s SER 39 CO -0.00 0.13 1.86 -0.26 1.20 0.00 0.00 173.24 176.16 2r52 h PHE 40 N 6.90 0.00 -0.09 3.44 0.04 -1.74 -2.21 116.94 123.29 2r52 h PHE 40 Ca -0.40 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.14 2r52 h PHE 40 Cb 1.16 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.32 2r52 h PHE 40 CO 0.61 0.00 -0.86 0.37 -0.60 0.00 0.00 178.31 177.83 2r52 h GLN 41 N 0.00 0.70 -0.10 1.51 4.15 -1.92 0.31 115.11 119.76 2r52 h GLN 41 Ca 0.00 -0.63 -0.03 0.00 0.77 0.00 0.00 58.65 58.76 2r52 h GLN 41 Cb 0.24 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2r52 h GLN 41 CO 0.00 1.23 -0.06 -0.44 -1.93 0.00 0.00 178.83 177.63 2r52 h ASP 42 N 0.45 0.13 0.85 -0.69 3.32 -1.79 0.44 116.42 119.12 2r52 h ASP 42 Ca -0.07 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2r52 h ASP 42 Cb 1.49 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.01 2r52 h ASP 42 CO 0.17 0.22 -0.26 0.18 -1.72 0.00 0.00 179.24 177.83 2r52 n LEU 43 N -4.38 0.35 0.00 1.55 4.77 -1.15 -4.92 117.00 113.22 2r52 n LEU 43 Ca -0.01 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2r52 n LEU 43 Cb 0.19 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2r52 n LEU 43 CO 0.36 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2r52 n GLY 44 N 1.46 0.54 0.40 -0.72 0.00 0.14 -4.91 105.19 102.11 2r52 n GLY 44 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2r52 n GLY 44 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2r52 n TRP 45 N -2.91 0.09 0.37 1.61 7.02 0.10 -4.29 117.44 119.43 2r52 n TRP 45 Ca 0.00 -0.04 0.01 0.00 -1.02 0.00 0.00 57.50 56.45 2r52 n TRP 45 Cb 0.00 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 28.96 2r52 n TRP 45 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2r52 n GLN 46 N -0.00 0.18 -0.12 -0.99 0.00 -1.03 -2.47 117.38 112.96 2r52 n GLN 46 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 57.00 56.93 2r52 n GLN 46 Cb 0.28 -1.21 -0.11 0.00 0.00 0.00 0.00 30.24 29.21 2r52 n GLN 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2r52 n ASP 47 N -0.71 1.90 0.08 2.61 8.00 -1.26 -4.63 116.55 122.54 2r52 n ASP 47 Ca 0.02 0.38 -0.23 0.00 0.71 0.00 0.00 54.79 55.67 2r52 n ASP 47 Cb 0.01 -0.90 -0.15 0.00 -0.02 0.00 0.00 41.12 40.06 2r52 n ASP 47 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2r52 h TRP 48 N -0.97 0.72 -3.00 1.24 5.08 -1.81 -3.46 115.95 113.74 2r52 h TRP 48 Ca -0.49 -0.52 -0.56 0.00 1.08 0.00 0.00 58.89 58.39 2r52 h TRP 48 Cb 1.44 -0.03 -0.03 0.00 -3.00 0.00 0.00 29.16 27.54 2r52 h TRP 48 CO 0.02 1.65 0.81 0.42 -1.28 0.00 0.00 178.44 180.07 2r52 s ILE 49 N -2.58 4.31 -0.15 0.12 1.01 -1.03 -0.61 121.20 122.27 2r52 s ILE 49 Ca -0.15 1.61 -0.09 0.00 0.00 0.00 0.00 60.65 62.02 2r52 s ILE 49 Cb 0.05 -4.03 -0.24 0.00 0.01 0.00 0.00 42.46 38.25 2r52 s ILE 49 CO 0.86 -0.08 0.27 -0.38 0.00 0.00 0.00 174.94 175.61 2r52 n ILE 50 N 5.05 1.71 -3.73 2.92 5.41 0.28 -4.73 119.36 126.27 2r52 n ILE 50 Ca 0.12 -0.53 -0.13 0.00 1.00 0.00 0.00 62.75 63.21 2r52 n ILE 50 Cb 0.46 -1.77 -0.10 0.00 -0.71 0.00 0.00 39.64 37.52 2r52 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2r52 s ALA 51 N -2.52 -1.03 0.97 -1.39 0.00 -0.76 -4.65 121.76 112.39 2r52 s ALA 51 Ca -0.25 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 2r52 s ALA 51 Cb 0.07 -0.70 0.16 0.00 0.00 0.00 0.00 23.12 22.65 2r52 s ALA 51 CO 0.72 -0.20 0.94 -0.35 0.00 0.00 0.00 175.76 176.87 2r52 n PRO 52 N 2.94 -0.85 0.10 0.00 -0.04 -1.26 0.14 135.00 136.03 2r52 n PRO 52 Ca -0.14 -1.53 0.12 0.00 -0.04 0.00 0.00 63.50 61.91 2r52 n PRO 52 Cb 0.57 -0.95 0.17 0.00 -0.04 0.00 0.00 33.50 33.25 2r52 n PRO 52 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2r52 h LYS 53 N 0.00 0.00 0.00 0.54 6.56 -1.95 -3.47 116.57 118.25 2r52 h LYS 53 Ca -0.31 0.00 0.30 0.00 -1.06 0.00 0.00 60.65 59.58 2r52 h LYS 53 Cb 0.86 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.46 2r52 h LYS 53 CO 0.22 0.00 0.73 0.41 -2.06 0.00 0.00 179.45 178.75 2r52 n GLY 54 N 1.26 0.18 3.56 3.86 0.00 -1.26 -1.90 105.19 110.88 2r52 n GLY 54 Ca 0.03 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 2r52 n GLY 54 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r52 s TYR 55 N -2.04 -0.28 -0.72 1.61 1.13 -0.32 -4.98 117.35 111.76 2r52 s TYR 55 Ca 0.23 0.12 -0.27 0.00 -1.41 0.00 0.00 57.07 55.75 2r52 s TYR 55 Cb -0.00 0.55 0.03 0.00 -1.10 0.00 0.00 41.96 41.45 2r52 s TYR 55 CO -0.02 -0.55 1.23 0.00 -2.51 0.00 0.00 175.55 173.71 2r52 s ALA 56 N -3.05 2.81 -0.07 9.51 0.00 -1.26 -0.59 121.76 129.10 2r52 s ALA 56 Ca 0.07 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 2r52 s ALA 56 Cb -0.01 -4.19 -0.29 0.00 0.00 0.00 0.00 23.12 18.63 2r52 s ALA 56 CO -0.07 -3.18 0.63 0.00 0.00 0.00 0.00 175.76 173.15 2r52 h ALA 57 N 9.93 0.14 -2.41 0.00 0.00 -1.29 -3.43 119.26 122.21 2r52 h ALA 57 Ca -0.28 -1.07 0.27 0.00 0.00 0.00 0.00 54.91 53.83 2r52 h ALA 57 Cb 1.05 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 2r52 h ALA 57 CO 1.26 0.87 -0.56 0.09 0.00 0.00 0.00 179.25 180.90 2r52 n ASN 58 N -3.80 -6.28 -3.46 0.00 5.03 -0.51 -1.58 115.26 104.65 2r52 n ASN 58 Ca -0.24 0.63 -0.10 0.00 0.87 0.00 0.00 54.58 55.74 2r52 n ASN 58 Cb 0.97 -3.32 -0.02 0.00 -1.02 0.00 0.00 39.78 36.39 2r52 n ASN 58 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2r52 s TYR 59 N -2.56 -0.44 -0.10 3.10 1.13 -0.38 -4.68 117.35 113.42 2r52 s TYR 59 Ca 0.00 0.28 -0.12 0.00 -1.41 0.00 0.00 57.07 55.82 2r52 s TYR 59 Cb 0.00 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.36 2r52 s TYR 59 CO 0.00 -0.70 0.29 0.00 -2.51 0.00 0.00 175.55 172.63 2r52 s ASP 61 N -0.47 -0.54 0.00 0.00 2.15 -0.99 -4.90 116.67 111.92 2r52 s ASP 61 Ca 0.18 0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.69 2r52 s ASP 61 Cb -0.14 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.97 2r52 s ASP 61 CO 0.07 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.09 2r52 n GLY 62 N 0.93 4.00 3.78 2.66 0.00 -1.26 -0.98 105.19 114.32 2r52 n GLY 62 Ca -0.19 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 2r52 n GLY 62 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r52 s GLU 63 N -3.13 4.57 -0.38 1.61 2.12 0.74 -4.15 118.70 120.08 2r52 s GLU 63 Ca 0.00 1.27 -0.07 0.00 0.36 0.00 0.00 54.97 56.53 2r52 s GLU 63 Cb 0.00 -2.88 0.07 0.00 0.26 0.00 0.00 34.13 31.58 2r52 s GLU 63 CO 0.00 0.33 0.19 0.00 -0.54 0.00 0.00 175.26 175.24 2r52 s SER 65 N 1.78 -0.09 0.30 0.00 1.04 -1.26 -4.38 113.70 111.09 2r52 s SER 65 Ca 0.02 -0.88 -0.28 0.00 0.48 0.00 0.00 55.95 55.29 2r52 s SER 65 Cb -0.22 0.75 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 2r52 s SER 65 CO 0.02 -1.46 1.06 -0.36 0.98 0.00 0.00 173.24 173.48 2r52 s PHE 66 N -2.88 3.57 0.46 5.02 0.08 -1.26 -3.63 117.98 119.34 2r52 s PHE 66 Ca 0.14 1.72 -0.20 0.00 0.12 0.00 0.00 56.93 58.71 2r52 s PHE 66 Cb -0.05 -3.20 -0.09 0.00 -0.57 0.00 0.00 43.02 39.10 2r52 s PHE 66 CO 0.09 -0.42 1.00 -1.25 -0.10 0.00 0.00 175.22 174.54 2r52 s PRO 67 N -1.65 3.99 -0.45 0.24 0.04 -1.26 -5.13 135.00 130.78 2r52 s PRO 67 Ca 0.47 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 2r52 s PRO 67 Cb -0.29 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.21 2r52 s PRO 67 CO 0.37 -0.25 0.33 -0.51 0.04 0.00 0.00 177.00 176.97 2r52 s LEU 68 N -3.38 5.46 0.30 -3.56 1.43 -1.24 -5.05 118.68 112.64 2r52 s LEU 68 Ca 0.65 -1.57 -0.29 0.00 -1.03 0.00 0.00 54.13 51.88 2r52 s LEU 68 Cb -0.13 -2.06 -0.12 0.00 0.03 0.00 0.00 46.19 43.91 2r52 s LEU 68 CO 0.17 -0.62 1.41 -3.20 0.23 0.00 0.00 176.35 174.34 2r52 n ASN 69 N 5.01 3.07 -0.05 2.29 5.15 -1.26 -4.85 115.26 124.62 2r52 n ASN 69 Ca -0.10 1.18 0.22 0.00 -0.60 0.00 0.00 54.58 55.27 2r52 n ASN 69 Cb 0.42 -1.50 0.69 0.00 -0.53 0.00 0.00 39.78 38.87 2r52 n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2r52 h ALA 70 N 3.58 2.57 0.00 5.20 0.00 -2.01 -0.35 119.26 128.25 2r52 h ALA 70 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2r52 h ALA 70 Cb 1.27 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2r52 h ALA 70 CO 0.70 -0.75 -0.10 0.45 0.00 0.00 0.00 179.25 179.55 2r52 h HIS 71 N 0.01 0.00 0.00 0.00 3.86 -1.97 -2.11 115.15 114.95 2r52 h HIS 71 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2r52 h HIS 71 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2r52 h HIS 71 CO -0.00 0.10 0.00 -1.33 0.86 0.00 0.00 177.93 177.56 2r52 n MET 72 N -3.46 0.81 -2.98 2.45 2.81 -0.14 -4.86 117.12 111.75 2r52 n MET 72 Ca -0.01 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.72 2r52 n MET 72 Cb 0.26 -1.05 -0.04 0.00 -0.71 0.00 0.00 33.22 31.68 2r52 n MET 72 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2r52 n ASN 73 N -0.55 -0.28 -4.71 7.83 4.13 -0.79 -2.75 115.26 118.14 2r52 n ASN 73 Ca 0.02 -0.53 -0.43 0.00 1.68 0.00 0.00 54.58 55.32 2r52 n ASN 73 Cb 0.01 -0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 37.56 2r52 n ASN 73 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2r52 n ALA 74 N -2.21 1.76 -1.92 5.41 0.00 -1.26 -4.82 120.51 117.47 2r52 n ALA 74 Ca -0.03 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 53.52 2r52 n ALA 74 Cb 0.23 -2.36 0.07 0.00 0.00 0.00 0.00 19.45 17.40 2r52 n ALA 74 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2r52 s THR 75 N -0.11 2.46 0.22 0.00 -4.23 -1.24 -4.91 115.64 107.82 2r52 s THR 75 Ca 0.65 -0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 2r52 s THR 75 Cb -0.58 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.32 2r52 s THR 75 CO 0.50 -0.13 1.87 0.78 -0.54 0.00 0.00 174.62 177.09 2r52 h ASN 76 N -0.76 0.81 -0.93 3.99 2.35 -1.96 -2.23 115.58 116.85 2r52 h ASN 76 Ca -0.45 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.35 2r52 h ASN 76 Cb 1.31 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 39.43 2r52 h ASN 76 CO 0.63 0.57 0.61 -0.74 -1.65 0.00 0.00 177.43 176.85 2r52 h HIS 77 N 0.96 1.10 -0.48 1.19 2.76 -1.98 -0.75 115.15 117.94 2r52 h HIS 77 Ca 0.30 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.37 2r52 h HIS 77 Cb -0.02 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 2r52 h HIS 77 CO -0.03 0.59 -0.20 0.00 -1.30 0.00 0.00 177.93 176.99 2r52 h ALA 78 N 1.49 0.72 -0.15 5.26 0.00 -1.73 -0.05 119.26 124.81 2r52 h ALA 78 Ca 0.39 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2r52 h ALA 78 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2r52 h ALA 78 CO -0.14 0.67 0.07 0.82 0.00 0.00 0.00 179.25 180.67 2r52 h ILE 79 N 0.85 1.12 -0.22 0.00 2.04 -0.86 0.13 117.51 120.56 2r52 h ILE 79 Ca 0.11 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2r52 h ILE 79 Cb 0.77 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2r52 h ILE 79 CO 0.06 0.11 0.15 0.58 0.00 0.00 0.00 178.15 179.05 2r52 h VAL 80 N 0.12 1.06 -0.72 1.67 2.07 -1.04 -2.14 116.25 117.26 2r52 h VAL 80 Ca 0.05 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2r52 h VAL 80 Cb 0.11 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2r52 h VAL 80 CO -0.01 0.06 0.47 -0.61 0.02 0.00 0.00 177.57 177.50 2r52 h GLN 81 N 0.30 0.92 -0.71 1.57 4.15 -0.75 0.27 115.11 120.86 2r52 h GLN 81 Ca 0.08 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.49 2r52 h GLN 81 Cb -0.03 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.40 2r52 h GLN 81 CO -0.02 0.61 0.42 1.15 -1.93 0.00 0.00 178.83 179.06 2r52 h THR 82 N 0.94 1.03 0.11 2.39 2.02 -0.55 0.25 112.91 119.12 2r52 h THR 82 Ca 0.27 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2r52 h THR 82 Cb -0.07 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2r52 h THR 82 CO -0.07 0.15 -0.05 0.25 0.37 0.00 0.00 175.52 176.16 2r52 h LEU 83 N 0.80 -0.13 -1.50 2.58 5.85 -0.63 -1.82 115.31 120.47 2r52 h LEU 83 Ca 0.30 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2r52 h LEU 83 Cb 0.11 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2r52 h LEU 83 CO -0.15 0.22 0.38 0.58 -0.34 0.00 0.00 178.44 179.13 2r52 h VAL 84 N -0.49 1.07 -0.53 1.05 2.07 -0.17 -1.22 116.25 118.02 2r52 h VAL 84 Ca -0.02 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2r52 h VAL 84 Cb 0.40 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2r52 h VAL 84 CO 0.03 0.12 0.05 -0.74 0.02 0.00 0.00 177.57 177.04 2r52 h HIS 85 N 0.65 0.97 0.00 1.57 -0.00 -0.40 -1.11 115.15 116.83 2r52 h HIS 85 Ca 0.23 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2r52 h HIS 85 Cb 0.10 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 2r52 h HIS 85 CO -0.00 0.88 0.00 1.25 -0.00 0.00 0.00 177.93 180.06 2r52 h LEU 86 N 0.78 0.00 0.00 0.26 5.85 -0.34 0.70 115.31 122.55 2r52 h LEU 86 Ca 0.16 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.52 2r52 h LEU 86 Cb 0.46 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 2r52 h LEU 86 CO 0.02 0.00 -2.23 0.23 -0.34 0.00 0.00 178.44 176.12 2r52 n MET 87 N -2.69 0.68 -3.14 1.25 2.81 -0.92 -4.70 117.12 110.41 2r52 n MET 87 Ca -0.00 0.07 -0.22 0.00 -1.81 0.00 0.00 57.70 55.74 2r52 n MET 87 Cb 0.17 -1.59 -0.05 0.00 -0.71 0.00 0.00 33.22 31.04 2r52 n MET 87 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2r52 n ASN 88 N -2.84 -0.11 -0.29 7.83 4.13 -0.47 -4.98 115.26 118.54 2r52 n ASN 88 Ca -0.29 -2.80 0.03 0.00 1.68 0.00 0.00 54.58 53.20 2r52 n ASN 88 Cb 1.13 -0.36 0.24 0.00 -1.54 0.00 0.00 39.78 39.25 2r52 n ASN 88 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2r52 h PRO 89 N 3.89 1.00 0.00 3.52 0.13 -1.08 -0.71 132.00 138.75 2r52 h PRO 89 Ca 0.05 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2r52 h PRO 89 Cb 0.91 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 2r52 h PRO 89 CO 0.45 0.66 -0.01 0.93 -0.23 0.00 0.00 178.00 179.80 2r52 h GLU 90 N 1.03 0.00 0.00 0.86 3.07 -1.94 -3.32 114.58 114.28 2r52 h GLU 90 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 2r52 h GLU 90 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2r52 h GLU 90 CO -0.13 0.01 -0.10 2.48 -1.40 0.00 0.00 179.01 179.87 2r52 n TYR 91 N -4.21 0.19 -3.99 4.33 -0.00 -0.38 -4.98 117.16 108.12 2r52 n TYR 91 Ca -0.03 0.08 -0.36 0.00 -0.00 0.00 0.00 57.90 57.59 2r52 n TYR 91 Cb 0.09 -0.35 -0.08 0.00 -0.00 0.00 0.00 39.34 39.00 2r52 n TYR 91 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2r52 s VAL 92 N -1.24 5.09 0.79 -3.48 1.01 -0.58 -5.11 120.40 116.87 2r52 s VAL 92 Ca -0.03 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 2r52 s VAL 92 Cb 0.00 -3.23 0.12 0.00 0.00 0.00 0.00 36.38 33.27 2r52 s VAL 92 CO 0.04 0.56 1.10 -2.16 0.00 0.00 0.00 175.10 174.64 2r52 s PRO 93 N -0.51 1.60 0.54 2.72 0.04 -1.26 -4.42 135.00 133.71 2r52 s PRO 93 Ca 0.11 -0.52 -0.16 0.00 0.04 0.00 0.00 61.00 60.48 2r52 s PRO 93 Cb -0.12 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 2r52 s PRO 93 CO 0.02 -1.64 1.00 0.15 0.04 0.00 0.00 177.00 176.57 2r52 s LYS 94 N -5.41 3.79 0.98 4.56 1.02 -1.26 -4.70 119.74 118.71 2r52 s LYS 94 Ca 0.66 0.98 -0.11 0.00 0.02 0.00 0.00 55.97 57.51 2r52 s LYS 94 Cb -0.07 -2.11 0.18 0.00 -0.52 0.00 0.00 37.83 35.31 2r52 s LYS 94 CO 0.47 -0.41 1.11 -2.14 -0.92 0.00 0.00 175.35 173.46 2r52 s PRO 95 N -4.20 0.56 -0.01 -1.68 0.02 -1.26 -4.98 135.00 123.44 2r52 s PRO 95 Ca 0.59 1.29 -0.01 0.00 0.02 0.00 0.00 61.00 62.89 2r52 s PRO 95 Cb -0.11 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 2r52 s PRO 95 CO 0.35 -2.86 0.10 0.00 -0.33 0.00 0.00 177.00 174.26 2r52 s ALA 98 N 4.12 0.90 0.32 0.00 0.00 -0.52 -4.64 121.76 121.94 2r52 s ALA 98 Ca 0.49 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.67 2r52 s ALA 98 Cb -0.11 0.88 -0.10 0.00 0.00 0.00 0.00 23.12 23.79 2r52 s ALA 98 CO 0.23 -0.49 1.24 -1.25 0.00 0.00 0.00 175.76 175.49 2r52 s PRO 99 N -4.05 4.44 -0.01 0.00 0.04 -1.26 -0.55 135.00 133.61 2r52 s PRO 99 Ca 0.25 2.08 0.11 0.00 0.04 0.00 0.00 61.00 63.48 2r52 s PRO 99 Cb 0.07 -3.10 -0.14 0.00 0.04 0.00 0.00 34.50 31.37 2r52 s PRO 99 CO 0.02 -0.06 0.39 0.25 0.04 0.00 0.00 177.00 177.64 2r52 n THR 100 N 0.90 0.00 -3.67 1.26 -2.24 0.69 -4.81 114.28 106.42 2r52 n THR 100 Ca -0.00 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 2r52 n THR 100 Cb 0.43 0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 69.26 2r52 n THR 100 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2r52 s LYS 101 N -2.34 0.29 0.08 -0.78 3.01 -1.17 -4.96 119.74 113.87 2r52 s LYS 101 Ca 0.01 0.90 0.07 0.00 -1.01 0.00 0.00 55.97 55.94 2r52 s LYS 101 Cb 0.08 0.16 -0.03 0.00 -1.01 0.00 0.00 37.83 37.03 2r52 s LYS 101 CO 0.47 -0.24 -0.18 -0.51 0.51 0.00 0.00 175.35 175.39 2r52 s LEU 102 N 2.30 2.27 0.35 3.17 1.02 -1.26 -0.42 118.68 126.11 2r52 s LEU 102 Ca -0.03 -0.63 0.08 0.00 0.02 0.00 0.00 54.13 53.57 2r52 s LEU 102 Cb -0.11 -0.77 -0.03 0.00 0.02 0.00 0.00 46.19 45.30 2r52 s LEU 102 CO -0.12 0.03 0.26 0.20 0.02 0.00 0.00 176.35 176.75 2r52 s ASN 103 N -1.73 5.11 0.29 2.29 0.02 0.25 -4.72 114.94 116.44 2r52 s ASN 103 Ca 0.04 -0.60 0.07 0.00 -1.02 0.00 0.00 52.86 51.35 2r52 s ASN 103 Cb -0.10 -0.87 -0.03 0.00 0.02 0.00 0.00 41.25 40.28 2r52 s ASN 103 CO 0.03 -0.38 0.28 0.00 0.02 0.00 0.00 177.10 177.06 2r52 s ALA 104 N -2.36 3.79 0.04 0.60 0.00 -1.26 -0.60 121.76 121.97 2r52 s ALA 104 Ca 0.41 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2r52 s ALA 104 Cb -0.05 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 2r52 s ALA 104 CO 0.26 0.14 -0.06 0.96 0.00 0.00 0.00 175.76 177.05 2r52 s ILE 105 N -2.17 0.41 -0.09 0.00 -4.36 0.04 -4.84 121.20 110.19 2r52 s ILE 105 Ca 0.37 -1.09 -0.05 0.00 -0.26 0.00 0.00 60.65 59.62 2r52 s ILE 105 Cb -0.08 -0.58 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 2r52 s ILE 105 CO 0.27 -0.46 0.11 -0.44 0.24 0.00 0.00 174.94 174.66 2r52 s SER 106 N -1.65 6.07 0.03 4.36 0.01 -1.26 0.89 113.70 122.14 2r52 s SER 106 Ca -0.10 0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.55 2r52 s SER 106 Cb -0.09 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.23 2r52 s SER 106 CO -0.01 0.37 -0.13 0.68 0.41 0.00 0.00 173.24 174.56 2r52 s VAL 107 N -1.05 1.06 -0.24 3.43 -7.23 0.22 -4.49 120.40 112.10 2r52 s VAL 107 Ca 0.17 -0.89 -0.06 0.00 -1.81 0.00 0.00 61.98 59.39 2r52 s VAL 107 Cb -0.12 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 2r52 s VAL 107 CO 0.06 0.05 0.02 -0.22 -0.31 0.00 0.00 175.10 174.71 2r52 s LEU 108 N -0.96 3.23 0.19 1.32 2.96 0.12 -1.21 118.68 124.34 2r52 s LEU 108 Ca 0.02 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 2r52 s LEU 108 Cb -0.07 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2r52 s LEU 108 CO 0.01 -0.05 0.24 -0.72 -1.32 0.00 0.00 176.35 174.51 2r52 s TYR 109 N 1.54 0.75 -0.09 5.38 1.13 0.01 0.98 117.35 127.05 2r52 s TYR 109 Ca 0.06 -1.06 -0.05 0.00 -1.41 0.00 0.00 57.07 54.60 2r52 s TYR 109 Cb -0.15 -0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.42 2r52 s TYR 109 CO 0.00 -0.72 0.13 -0.06 -2.51 0.00 0.00 175.55 172.39 2r52 s PHE 110 N -4.06 3.54 0.00 -3.49 0.08 0.22 0.02 117.98 114.29 2r52 s PHE 110 Ca 0.28 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.78 2r52 s PHE 110 Cb 0.04 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2r52 s PHE 110 CO 0.07 0.69 0.00 -0.40 -0.10 0.00 0.00 175.22 175.48 2r52 n ASP 111 N 1.76 0.00 -0.16 1.36 5.68 -0.74 -4.73 116.55 119.72 2r52 n ASP 111 Ca -0.18 -0.79 0.01 0.00 -0.50 0.00 0.00 54.79 53.34 2r52 n ASP 111 Cb 0.54 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.82 2r52 n ASP 111 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2r52 h ASP 112 N 0.00 0.76 -0.30 -1.12 3.04 -2.00 -2.06 116.42 114.74 2r52 h ASP 112 Ca 0.00 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 2r52 h ASP 112 Cb 0.00 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.10 2r52 h ASP 112 CO 0.00 0.55 0.00 0.59 -2.04 0.00 0.00 179.24 178.34 2r52 n ASN 113 N -4.44 3.39 -1.41 4.15 5.03 -1.26 -4.90 115.26 115.83 2r52 n ASN 113 Ca 0.07 -2.46 -0.18 0.00 0.87 0.00 0.00 54.58 52.87 2r52 n ASN 113 Cb 0.04 -0.59 -0.08 0.00 -1.02 0.00 0.00 39.78 38.13 2r52 n ASN 113 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2r52 n SER 114 N 0.33 -5.45 -4.78 6.41 7.64 -0.77 -4.98 113.62 112.02 2r52 n SER 114 Ca 0.14 0.46 -0.37 0.00 1.01 0.00 0.00 58.87 60.10 2r52 n SER 114 Cb 0.73 -4.57 -0.06 0.00 -1.01 0.00 0.00 64.21 59.30 2r52 n SER 114 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2r52 s ASN 115 N -2.73 7.27 -0.36 6.43 0.02 -1.26 -4.74 114.94 119.58 2r52 s ASN 115 Ca 0.00 1.90 -0.18 0.00 -1.02 0.00 0.00 52.86 53.56 2r52 s ASN 115 Cb 0.00 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.68 2r52 s ASN 115 CO 0.00 -0.12 0.52 -0.69 0.02 0.00 0.00 177.10 176.84 2r52 s VAL 116 N -1.56 5.00 0.01 1.60 1.01 -1.26 -1.80 120.40 123.41 2r52 s VAL 116 Ca 0.50 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.83 2r52 s VAL 116 Cb -0.21 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2r52 s VAL 116 CO 0.26 -0.26 -0.13 -0.63 0.00 0.00 0.00 175.10 174.35 2r52 s ILE 117 N 2.42 3.20 -0.34 2.22 1.09 0.10 -4.95 121.20 124.94 2r52 s ILE 117 Ca 0.19 -0.95 0.01 0.00 -1.10 0.00 0.00 60.65 58.80 2r52 s ILE 117 Cb -0.15 -2.36 0.09 0.00 -1.06 0.00 0.00 42.46 38.98 2r52 s ILE 117 CO 0.14 0.40 0.06 -0.22 -0.10 0.00 0.00 174.94 175.22 2r52 s LEU 118 N -1.34 4.58 -0.10 2.97 2.96 -1.26 -0.81 118.68 125.69 2r52 s LEU 118 Ca 0.15 -1.87 0.01 0.00 -0.22 0.00 0.00 54.13 52.21 2r52 s LEU 118 Cb -0.11 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 2r52 s LEU 118 CO 0.06 -0.38 -0.12 -0.75 -1.32 0.00 0.00 176.35 173.83 2r52 s LYS 119 N 1.06 3.03 -0.26 1.98 2.20 -0.35 -4.94 119.74 122.46 2r52 s LYS 119 Ca 0.05 -0.66 -0.20 0.00 -0.36 0.00 0.00 55.97 54.79 2r52 s LYS 119 Cb -0.20 -2.56 -0.02 0.00 -1.51 0.00 0.00 37.83 33.54 2r52 s LYS 119 CO -0.05 0.41 0.63 0.21 -0.36 0.00 0.00 175.35 176.19 2r52 s LYS 120 N -0.15 4.09 -0.30 4.03 2.20 -1.26 -0.61 119.74 127.73 2r52 s LYS 120 Ca -0.00 0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 56.03 2r52 s LYS 120 Cb -0.13 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 2r52 s LYS 120 CO 0.03 -0.43 0.16 0.71 -0.36 0.00 0.00 175.35 175.47 2r52 s TYR 121 N 2.52 3.18 0.59 4.03 2.02 0.26 -4.95 117.35 125.00 2r52 s TYR 121 Ca 0.26 -0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.53 2r52 s TYR 121 Cb -0.15 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 2r52 s TYR 121 CO 0.09 -0.36 0.96 1.03 -1.57 0.00 0.00 175.55 175.70 2r52 s ARG 122 N 1.66 3.41 -1.24 -0.62 3.00 -1.26 -0.78 118.95 123.12 2r52 s ARG 122 Ca 0.06 0.49 -0.10 0.00 0.00 0.00 0.00 55.73 56.18 2r52 s ARG 122 Cb -0.17 -2.17 -0.01 0.00 0.00 0.00 0.00 34.95 32.61 2r52 s ARG 122 CO 0.08 -0.55 0.68 0.09 0.00 0.00 0.00 175.30 175.59 2r52 n ASN 123 N -2.64 -3.08 -0.05 0.23 3.02 -1.21 -4.91 115.26 106.62 2r52 n ASN 123 Ca 0.05 -0.96 -0.06 0.00 -0.03 0.00 0.00 54.58 53.58 2r52 n ASN 123 Cb 0.55 -3.53 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 2r52 n ASN 123 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2r52 n MET 124 N -4.22 1.80 -4.17 3.52 2.81 0.23 -4.97 117.12 112.13 2r52 n MET 124 Ca -0.20 0.02 -0.34 0.00 -1.81 0.00 0.00 57.70 55.37 2r52 n MET 124 Cb 0.64 -1.23 -0.15 0.00 -0.71 0.00 0.00 33.22 31.77 2r52 n MET 124 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2r52 s VAL 125 N -2.22 2.68 -0.23 2.03 1.01 -0.27 -4.69 120.40 118.71 2r52 s VAL 125 Ca -0.08 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2r52 s VAL 125 Cb 0.03 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.25 2r52 s VAL 125 CO 0.33 0.49 1.03 -0.69 0.00 0.00 0.00 175.10 176.27 2r52 s VAL 126 N 1.21 4.69 -0.25 2.92 1.01 -0.62 0.84 120.40 130.21 2r52 s VAL 126 Ca 0.02 2.01 -0.06 0.00 0.00 0.00 0.00 61.98 63.95 2r52 s VAL 126 Cb -0.14 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.78 2r52 s VAL 126 CO -0.06 -0.17 -0.18 0.54 0.00 0.00 0.00 175.10 175.23 2r52 n ARG 127 N 6.28 0.63 -3.98 2.72 5.12 0.44 -4.79 116.66 123.08 2r52 n ARG 127 Ca 0.12 0.23 -0.10 0.00 -1.93 0.00 0.00 57.85 56.17 2r52 n ARG 127 Cb 0.46 -1.55 -0.11 0.00 -1.16 0.00 0.00 32.46 30.10 2r52 n ARG 127 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2r52 s ALA 128 N -2.51 0.17 0.16 7.54 0.00 -1.05 -4.93 121.76 121.14 2r52 s ALA 128 Ca -0.35 -0.57 0.11 0.00 0.00 0.00 0.00 51.96 51.16 2r52 s ALA 128 Cb 0.11 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2r52 s ALA 128 CO 0.58 -0.13 -0.24 0.00 0.00 0.00 0.00 175.76 175.97 2r52 s GLY 130 N -2.41 0.40 -0.27 0.00 0.00 0.29 -4.47 107.32 100.85 2r52 s GLY 130 Ca 0.18 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 44.05 2r52 s GLY 130 CO 0.09 -0.33 0.08 0.00 0.00 0.00 0.00 173.10 172.95