#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 -0.00 0.00 1.64 3.08 -1.95 -3.34 114.38 113.80 2r53 h ARG 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2r53 h ARG 27 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2r53 h ARG 27 CO 0.00 -0.00 0.00 1.47 -1.07 0.00 0.00 179.97 180.37 2r53 n LEU 28 N -2.98 0.00 -0.07 3.04 -0.00 -1.26 -3.74 117.00 111.99 2r53 n LEU 28 Ca -0.00 0.83 0.14 0.00 -0.00 0.00 0.00 56.01 56.99 2r53 n LEU 28 Cb 0.00 -0.33 0.62 0.00 -0.00 0.00 0.00 43.42 43.70 2r53 n LEU 28 CO 0.00 -0.33 0.88 1.17 -0.00 0.00 0.00 177.39 179.11 2r53 n LYS 29 N -1.88 0.52 -1.19 1.47 4.81 -1.26 -4.97 118.16 115.67 2r53 n LYS 29 Ca 0.00 -0.15 -0.32 0.00 -0.87 0.00 0.00 58.31 56.98 2r53 n LYS 29 Cb 0.00 -1.50 0.11 0.00 0.02 0.00 0.00 35.03 33.66 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 -2.58 2.05 0.00 3.14 0.00 -1.25 -2.64 121.76 120.49 2r53 s ALA 30 Ca 0.26 0.46 -0.36 0.00 0.00 0.00 0.00 51.96 52.32 2r53 s ALA 30 Cb 0.20 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.82 2r53 s ALA 30 CO 0.49 -1.99 1.59 0.00 0.00 0.00 0.00 175.76 175.86 2r53 s ARG 32 N 1.92 0.82 -0.01 0.00 1.70 -0.56 -4.87 118.95 117.94 2r53 s ARG 32 Ca 0.87 -0.43 -0.30 0.00 -0.47 0.00 0.00 55.73 55.41 2r53 s ARG 32 Cb -0.85 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 2r53 s ARG 32 CO 0.49 -0.37 1.27 0.21 -1.08 0.00 0.00 175.30 175.82 2r53 s LYS 33 N -2.92 4.34 -0.02 3.89 2.20 -1.26 -2.48 119.74 123.49 2r53 s LYS 33 Ca 0.12 1.79 0.01 0.00 -0.36 0.00 0.00 55.97 57.53 2r53 s LYS 33 Cb 0.01 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2r53 s LYS 33 CO -0.02 -0.45 -0.02 -1.01 -0.36 0.00 0.00 175.35 173.49 2r53 s HIS 34 N 2.04 3.03 0.14 4.03 3.76 0.53 -4.98 115.29 123.84 2r53 s HIS 34 Ca 0.59 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 55.26 2r53 s HIS 34 Cb -0.28 -1.67 -0.07 0.00 1.11 0.00 0.00 32.58 31.66 2r53 s HIS 34 CO 0.25 0.43 1.25 -1.21 -0.85 0.00 0.00 174.74 174.61 2r53 s GLU 35 N -1.37 4.43 -0.25 1.40 2.02 -1.26 -1.98 118.70 121.68 2r53 s GLU 35 Ca 0.17 1.91 -0.03 0.00 0.02 0.00 0.00 54.97 57.05 2r53 s GLU 35 Cb -0.11 -3.27 0.14 0.00 0.10 0.00 0.00 34.13 30.99 2r53 s GLU 35 CO 0.08 -0.23 0.41 -1.17 0.02 0.00 0.00 175.26 174.37 2r53 s LEU 36 N 0.41 -0.74 -0.19 1.80 2.96 -1.26 -4.86 118.68 116.81 2r53 s LEU 36 Ca 0.57 0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.75 2r53 s LEU 36 Cb -0.33 1.28 -0.05 0.00 0.50 0.00 0.00 46.19 47.59 2r53 s LEU 36 CO 0.33 -0.29 0.17 -0.47 -1.32 0.00 0.00 176.35 174.77 2r53 s TYR 37 N 2.59 3.42 -0.12 5.38 6.14 -1.26 0.08 117.35 133.58 2r53 s TYR 37 Ca 0.13 0.39 0.01 0.00 0.64 0.00 0.00 57.07 58.24 2r53 s TYR 37 Cb -0.15 -2.20 -0.01 0.00 0.42 0.00 0.00 41.96 40.02 2r53 s TYR 37 CO -0.16 0.28 -0.15 0.54 0.64 0.00 0.00 175.55 176.69 2r53 s VAL 38 N 0.38 2.83 -0.13 3.14 0.11 0.91 -4.90 120.40 122.75 2r53 s VAL 38 Ca 0.10 -0.74 -0.03 0.00 -2.93 0.00 0.00 61.98 58.38 2r53 s VAL 38 Cb -0.11 -2.17 -0.03 0.00 -1.53 0.00 0.00 36.38 32.54 2r53 s VAL 38 CO -0.01 0.53 -0.03 -0.94 -3.33 0.00 0.00 175.10 171.32 2r53 s SER 39 N 0.35 4.86 0.48 3.54 1.04 -1.26 -1.01 113.70 121.70 2r53 s SER 39 Ca -0.13 -0.06 0.33 0.00 0.48 0.00 0.00 55.95 56.57 2r53 s SER 39 Cb -0.16 -1.62 1.68 0.00 0.10 0.00 0.00 66.02 66.01 2r53 s SER 39 CO 0.06 0.24 1.99 -0.26 0.98 0.00 0.00 173.24 176.25 2r53 h PHE 40 N 6.17 0.00 -0.20 5.02 0.04 -1.85 -0.55 116.94 125.57 2r53 h PHE 40 Ca -0.38 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.25 2r53 h PHE 40 Cb 1.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 2r53 h PHE 40 CO 0.55 0.00 -0.48 0.37 -0.60 0.00 0.00 178.31 178.16 2r53 h GLN 41 N 0.00 0.52 0.00 1.51 4.15 -1.90 0.30 115.11 119.69 2r53 h GLN 41 Ca 0.00 -0.30 -0.13 0.00 0.77 0.00 0.00 58.65 59.00 2r53 h GLN 41 Cb 0.11 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2r53 h GLN 41 CO 0.00 0.89 -0.60 -0.44 -1.93 0.00 0.00 178.83 176.75 2r53 h ASP 42 N 0.42 0.00 1.75 -0.69 3.32 -1.48 -2.89 116.42 116.84 2r53 h ASP 42 Ca 0.02 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2r53 h ASP 42 Cb 0.99 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2r53 h ASP 42 CO 0.09 0.60 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.92 2r53 h LEU 43 N 0.00 0.00 0.00 1.55 3.38 -1.35 -3.47 115.31 115.42 2r53 h LEU 43 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2r53 h LEU 43 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2r53 h LEU 43 CO 0.08 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2r53 n GLY 44 N 1.11 0.87 1.07 0.83 0.00 -0.37 -4.99 105.19 103.71 2r53 n GLY 44 Ca 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.22 1.01 0.18 1.61 8.01 0.92 -4.67 117.44 122.29 2r53 n TRP 45 Ca 0.00 -0.67 0.03 0.00 -1.31 0.00 0.00 57.50 55.55 2r53 n TRP 45 Cb 0.00 -0.21 0.40 0.00 -2.01 0.00 0.00 31.31 29.49 2r53 n TRP 45 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2r53 h GLN 46 N 2.68 0.07 0.00 -0.99 -0.00 -1.84 -2.84 115.11 112.20 2r53 h GLN 46 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 2r53 h GLN 46 Cb 1.25 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 28.72 2r53 h GLN 46 CO 0.17 0.33 -0.11 0.38 -0.00 0.00 0.00 178.83 179.60 2r53 h ASP 47 N 0.07 0.00 -0.00 0.06 2.03 -1.93 -3.28 116.42 113.37 2r53 h ASP 47 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2r53 h ASP 47 Cb 0.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 2r53 h ASP 47 CO 0.04 0.11 -0.09 -2.67 -1.03 0.00 0.00 179.24 175.60 2r53 n TRP 48 N -3.92 0.00 -3.13 4.15 4.27 -1.20 -4.97 117.44 112.64 2r53 n TRP 48 Ca -0.02 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.17 2r53 n TRP 48 Cb 0.21 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.09 2r53 n TRP 48 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2r53 s ILE 49 N -1.14 4.93 -0.08 -1.67 1.01 -1.08 -1.31 121.20 121.88 2r53 s ILE 49 Ca 0.01 0.72 -0.12 0.00 0.00 0.00 0.00 60.65 61.26 2r53 s ILE 49 Cb 0.02 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 2r53 s ILE 49 CO 0.08 -0.20 0.43 0.40 0.00 0.00 0.00 174.94 175.66 2r53 h ILE 50 N 5.59 0.36 -2.60 2.92 2.04 -1.37 -3.47 117.51 120.97 2r53 h ILE 50 Ca -0.27 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 2r53 h ILE 50 Cb 1.12 0.64 -0.23 0.00 -0.74 0.00 0.00 36.82 37.61 2r53 h ILE 50 CO 0.81 0.11 -0.15 0.00 0.00 0.00 0.00 178.15 178.92 2r53 s ALA 51 N -3.14 -1.17 0.90 1.87 0.00 -0.71 -4.65 121.76 114.87 2r53 s ALA 51 Ca -0.07 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 2r53 s ALA 51 Cb 0.00 -0.61 0.17 0.00 0.00 0.00 0.00 23.12 22.68 2r53 s ALA 51 CO 0.23 -0.24 1.07 -0.35 0.00 0.00 0.00 175.76 176.47 2r53 n PRO 52 N 2.49 -0.77 -0.07 0.00 -0.04 -1.26 0.20 135.00 135.54 2r53 n PRO 52 Ca -0.15 -1.98 0.12 0.00 -0.04 0.00 0.00 63.50 61.45 2r53 n PRO 52 Cb 0.57 -0.99 0.31 0.00 -0.04 0.00 0.00 33.50 33.34 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 -3.18 2.04 -3.44 0.54 4.76 -1.26 -4.93 118.16 112.68 2r53 n LYS 53 Ca 0.14 -1.54 0.00 0.00 -2.87 0.00 0.00 58.31 54.04 2r53 n LYS 53 Cb 0.51 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 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 1.28 -1.89 3.63 0.72 0.00 -1.26 -2.50 105.19 105.17 2r53 n GLY 54 Ca 0.17 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.02 -0.16 -0.62 1.61 1.13 -0.18 -4.99 117.35 112.12 2r53 s TYR 55 Ca 0.00 -0.01 -0.24 0.00 -1.41 0.00 0.00 57.07 55.40 2r53 s TYR 55 Cb 0.00 0.57 0.05 0.00 -1.10 0.00 0.00 41.96 41.48 2r53 s TYR 55 CO 0.00 -0.52 1.02 0.00 -2.51 0.00 0.00 175.55 173.54 2r53 s ALA 56 N -2.89 3.06 -0.18 9.51 0.00 -1.26 -0.06 121.76 129.94 2r53 s ALA 56 Ca 0.10 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.43 2r53 s ALA 56 Cb 0.00 -3.89 -0.21 0.00 0.00 0.00 0.00 23.12 19.02 2r53 s ALA 56 CO -0.03 -2.69 0.32 0.00 0.00 0.00 0.00 175.76 173.36 2r53 h ALA 57 N 9.54 0.25 -1.80 0.00 0.00 -0.65 -3.44 119.26 123.16 2r53 h ALA 57 Ca -0.27 -1.16 0.21 0.00 0.00 0.00 0.00 54.91 53.69 2r53 h ALA 57 Cb 1.07 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2r53 h ALA 57 CO 1.16 0.73 -0.28 0.09 0.00 0.00 0.00 179.25 180.95 2r53 n ASN 58 N -4.28 -4.84 -3.62 0.00 3.02 0.11 -2.02 115.26 103.63 2r53 n ASN 58 Ca -0.29 0.83 -0.04 0.00 -0.03 0.00 0.00 54.58 55.04 2r53 n ASN 58 Cb 0.73 -2.33 -0.01 0.00 -0.61 0.00 0.00 39.78 37.56 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 -1.57 -0.18 -0.08 3.10 1.13 -0.84 -4.76 117.35 114.15 2r53 s TYR 59 Ca 0.00 0.01 -0.04 0.00 -1.41 0.00 0.00 57.07 55.63 2r53 s TYR 59 Cb 0.00 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 2r53 s TYR 59 CO 0.00 -0.51 0.10 0.00 -2.51 0.00 0.00 175.55 172.63 2r53 s ASP 61 N -1.17 -0.42 0.00 0.00 2.15 -1.04 -4.91 116.67 111.28 2r53 s ASP 61 Ca 0.17 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.43 2r53 s ASP 61 Cb -0.12 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 2r53 s ASP 61 CO 0.06 -0.52 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 2r53 n GLY 62 N 0.33 3.33 3.77 2.66 0.00 -1.26 -1.50 105.19 112.53 2r53 n GLY 62 Ca -0.11 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 2r53 n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2r53 s GLU 63 N -2.44 4.29 -0.77 1.61 -1.05 -1.08 -4.27 118.70 114.99 2r53 s GLU 63 Ca 0.00 1.60 0.03 0.00 -0.15 0.00 0.00 54.97 56.45 2r53 s GLU 63 Cb 0.00 -2.73 0.20 0.00 -0.44 0.00 0.00 34.13 31.16 2r53 s GLU 63 CO 0.00 -0.05 0.63 0.00 0.95 0.00 0.00 175.26 176.80 2r53 s SER 65 N -1.15 0.16 0.39 0.00 1.04 -1.26 -4.51 113.70 108.38 2r53 s SER 65 Ca 0.27 -1.01 -0.27 0.00 0.48 0.00 0.00 55.95 55.42 2r53 s SER 65 Cb -0.03 0.37 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 2r53 s SER 65 CO -0.14 -0.82 1.41 -0.36 0.98 0.00 0.00 173.24 174.32 2r53 s PHE 66 N -4.00 2.66 0.36 5.02 0.08 -1.26 -4.11 117.98 116.73 2r53 s PHE 66 Ca 0.20 1.27 -0.24 0.00 0.12 0.00 0.00 56.93 58.28 2r53 s PHE 66 Cb 0.05 -3.89 -0.10 0.00 -0.57 0.00 0.00 43.02 38.51 2r53 s PHE 66 CO 0.00 -2.66 0.94 -1.25 -0.10 0.00 0.00 175.22 172.16 2r53 s PRO 67 N -2.16 4.45 -0.50 0.24 0.04 -1.26 -4.87 135.00 130.93 2r53 s PRO 67 Ca 0.55 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.65 2r53 s PRO 67 Cb -0.43 -2.57 0.07 0.00 0.04 0.00 0.00 34.50 31.60 2r53 s PRO 67 CO 0.57 0.17 0.54 -0.51 0.04 0.00 0.00 177.00 177.82 2r53 s LEU 68 N -2.47 5.27 0.29 -3.56 1.43 -1.26 -4.72 118.68 113.67 2r53 s LEU 68 Ca 0.54 -1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 2r53 s LEU 68 Cb -0.15 -2.33 -0.13 0.00 0.03 0.00 0.00 46.19 43.60 2r53 s LEU 68 CO 0.20 -0.82 1.21 -3.20 0.23 0.00 0.00 176.35 173.97 2r53 n ASN 69 N 5.80 2.20 0.26 2.29 5.15 -1.26 -4.88 115.26 124.82 2r53 n ASN 69 Ca -0.09 1.18 0.14 0.00 -0.60 0.00 0.00 54.58 55.21 2r53 n ASN 69 Cb 0.44 -1.39 0.71 0.00 -0.53 0.00 0.00 39.78 39.01 2r53 n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2r53 h ALA 70 N 2.73 1.17 -0.28 5.20 0.00 -2.02 -3.11 119.26 122.95 2r53 h ALA 70 Ca -0.44 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2r53 h ALA 70 Cb 1.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2r53 h ALA 70 CO 0.65 0.15 0.01 0.45 0.00 0.00 0.00 179.25 180.50 2r53 h HIS 71 N 0.00 0.42 0.00 0.00 3.86 -2.01 -2.53 115.15 114.89 2r53 h HIS 71 Ca -0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2r53 h HIS 71 Cb 0.41 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2r53 h HIS 71 CO 0.00 0.42 0.00 0.00 0.86 0.00 0.00 177.93 179.21 2r53 n MET 72 N -4.32 0.28 -3.83 2.45 0.00 -1.18 -4.96 117.12 105.56 2r53 n MET 72 Ca 0.01 0.03 -0.33 0.00 0.00 0.00 0.00 57.70 57.41 2r53 n MET 72 Cb 0.21 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 31.95 2r53 n MET 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2r53 n ASN 73 N -1.35 -4.89 -4.76 3.17 3.02 -0.95 -4.68 115.26 104.82 2r53 n ASN 73 Ca 0.11 -1.04 -0.38 0.00 -0.03 0.00 0.00 54.58 53.24 2r53 n ASN 73 Cb 0.25 -2.24 0.01 0.00 -0.61 0.00 0.00 39.78 37.19 2r53 n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r53 s ALA 74 N -3.28 2.94 0.77 5.41 0.00 -1.26 -4.97 121.76 121.36 2r53 s ALA 74 Ca 0.28 1.10 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 2r53 s ALA 74 Cb -0.14 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.61 2r53 s ALA 74 CO 0.91 -0.93 1.10 0.95 0.00 0.00 0.00 175.76 177.80 2r53 s THR 75 N -1.44 2.13 0.22 0.00 -4.23 -1.26 -4.93 115.64 106.14 2r53 s THR 75 Ca 0.66 -0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.93 2r53 s THR 75 Cb -0.34 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.69 2r53 s THR 75 CO 0.40 0.00 1.89 0.78 -0.54 0.00 0.00 174.62 177.15 2r53 h ASN 76 N -0.86 0.92 -0.80 3.99 -0.26 -1.99 -2.53 115.58 114.04 2r53 h ASN 76 Ca -0.45 -0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.27 2r53 h ASN 76 Cb 1.32 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 38.31 2r53 h ASN 76 CO 0.61 0.66 0.53 -0.74 -1.06 0.00 0.00 177.43 177.43 2r53 h HIS 77 N 1.08 1.01 -0.50 1.19 2.76 -1.99 -1.87 115.15 116.84 2r53 h HIS 77 Ca 0.30 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.41 2r53 h HIS 77 Cb -0.12 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.48 2r53 h HIS 77 CO -0.02 0.64 0.01 0.00 -1.30 0.00 0.00 177.93 177.27 2r53 h ALA 78 N 1.29 1.08 -0.36 5.26 0.00 -1.80 -0.16 119.26 124.57 2r53 h ALA 78 Ca 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2r53 h ALA 78 Cb -0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2r53 h ALA 78 CO -0.06 0.58 0.11 0.82 0.00 0.00 0.00 179.25 180.70 2r53 h ILE 79 N 0.77 1.21 -0.59 0.00 2.04 -1.13 0.17 117.51 119.99 2r53 h ILE 79 Ca 0.15 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 2r53 h ILE 79 Cb 0.46 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2r53 h ILE 79 CO 0.02 0.24 0.25 0.58 0.00 0.00 0.00 178.15 179.24 2r53 h VAL 80 N 0.43 1.22 -0.62 1.67 2.07 -1.04 -2.26 116.25 117.72 2r53 h VAL 80 Ca 0.11 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2r53 h VAL 80 Cb 0.26 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2r53 h VAL 80 CO -0.00 0.26 0.18 -0.61 0.02 0.00 0.00 177.57 177.42 2r53 h GLN 81 N 0.81 0.97 -0.60 1.57 4.15 -0.78 -0.26 115.11 120.98 2r53 h GLN 81 Ca 0.20 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2r53 h GLN 81 Cb 0.18 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2r53 h GLN 81 CO -0.02 0.87 0.31 1.15 -1.93 0.00 0.00 178.83 179.20 2r53 h THR 82 N 0.89 1.19 -0.04 2.39 2.02 -0.76 0.10 112.91 118.69 2r53 h THR 82 Ca 0.20 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 2r53 h THR 82 Cb 0.31 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2r53 h THR 82 CO -0.00 0.22 -0.30 0.25 0.37 0.00 0.00 175.52 176.05 2r53 h LEU 83 N 0.83 0.34 -1.51 2.58 5.85 -1.11 -3.07 115.31 119.23 2r53 h LEU 83 Ca 0.21 -0.69 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 2r53 h LEU 83 Cb 0.06 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2r53 h LEU 83 CO -0.03 0.97 -0.11 0.58 -0.34 0.00 0.00 178.44 179.51 2r53 h VAL 84 N -0.28 1.15 -0.09 1.05 2.07 -0.90 -1.34 116.25 117.92 2r53 h VAL 84 Ca -0.03 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 2r53 h VAL 84 Cb 0.99 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2r53 h VAL 84 CO 0.06 0.20 -0.26 -0.74 0.02 0.00 0.00 177.57 176.85 2r53 h HIS 85 N 0.17 0.16 -0.46 1.57 -0.00 -0.98 -1.02 115.15 114.59 2r53 h HIS 85 Ca 0.04 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.25 2r53 h HIS 85 Cb 0.31 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 2r53 h HIS 85 CO 0.00 0.41 -0.23 -0.07 -0.00 0.00 0.00 177.93 178.04 2r53 h LEU 86 N 0.14 0.98 -0.01 0.26 3.38 -1.14 -1.89 115.31 117.02 2r53 h LEU 86 Ca 0.02 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 2r53 h LEU 86 Cb 0.54 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2r53 h LEU 86 CO 0.04 1.16 -0.44 0.24 0.09 0.00 0.00 178.44 179.53 2r53 h MET 87 N 0.82 0.32 -2.24 1.13 2.86 -1.30 -3.38 114.93 113.14 2r53 h MET 87 Ca 0.10 -0.33 -0.59 0.00 -2.06 0.00 0.00 59.70 56.82 2r53 h MET 87 Cb 0.80 0.09 -0.42 0.00 0.06 0.00 0.00 31.60 32.13 2r53 h MET 87 CO 0.07 1.01 -0.64 0.09 1.06 0.00 0.00 176.91 178.50 2r53 n ASN 88 N -4.34 4.08 -0.11 1.22 5.03 -0.41 -4.93 115.26 115.79 2r53 n ASN 88 Ca -0.10 -3.57 0.27 0.00 0.87 0.00 0.00 54.58 52.05 2r53 n ASN 88 Cb 0.59 -0.60 0.65 0.00 -1.02 0.00 0.00 39.78 39.40 2r53 n ASN 88 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2r53 h PRO 89 N 3.42 0.00 -0.00 3.52 0.11 -1.53 -0.83 132.00 136.69 2r53 h PRO 89 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2r53 h PRO 89 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2r53 h PRO 89 CO 0.81 0.00 -0.65 -1.91 -0.21 0.00 0.00 178.00 176.04 2r53 n GLU 90 N -3.64 0.10 0.00 1.05 2.13 -1.26 -4.36 120.64 114.65 2r53 n GLU 90 Ca 0.17 -0.07 0.02 0.00 0.66 0.00 0.00 57.16 57.94 2r53 n GLU 90 Cb 1.08 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 31.28 2r53 n GLU 90 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2r53 n TYR 91 N -1.39 0.00 -3.70 4.31 4.02 -0.33 -4.97 117.16 115.10 2r53 n TYR 91 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.79 2r53 n TYR 91 Cb 0.34 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.51 2r53 n TYR 91 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2r53 s VAL 92 N -0.98 -0.18 0.74 -0.72 1.01 -1.12 -5.13 120.40 114.02 2r53 s VAL 92 Ca 0.03 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 2r53 s VAL 92 Cb 0.03 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.16 2r53 s VAL 92 CO 0.12 0.11 1.09 -2.16 0.00 0.00 0.00 175.10 174.27 2r53 s PRO 93 N 1.84 2.56 0.59 2.72 0.04 -1.26 -4.62 135.00 136.88 2r53 s PRO 93 Ca -0.02 0.64 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 2r53 s PRO 93 Cb -0.12 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2r53 s PRO 93 CO -0.06 -1.29 1.05 0.15 0.04 0.00 0.00 177.00 176.89 2r53 s LYS 94 N -5.20 3.36 1.14 4.56 1.02 -1.26 -4.82 119.74 118.52 2r53 s LYS 94 Ca 0.59 1.15 -0.12 0.00 0.02 0.00 0.00 55.97 57.61 2r53 s LYS 94 Cb -0.13 -2.04 0.27 0.00 -0.52 0.00 0.00 37.83 35.41 2r53 s LYS 94 CO 0.54 -0.78 1.04 -2.14 -0.92 0.00 0.00 175.35 173.09 2r53 s PRO 95 N -4.16 -0.70 0.01 -1.68 0.02 -1.26 -5.01 135.00 122.21 2r53 s PRO 95 Ca 0.63 0.97 0.04 0.00 0.02 0.00 0.00 61.00 62.66 2r53 s PRO 95 Cb -0.15 -1.57 -0.03 0.00 0.02 0.00 0.00 34.50 32.77 2r53 s PRO 95 CO 0.38 -3.62 -0.11 0.00 -0.33 0.00 0.00 177.00 173.32 2r53 s ALA 98 N 4.72 1.62 0.28 0.00 0.00 0.11 -4.61 121.76 123.88 2r53 s ALA 98 Ca 0.54 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 2r53 s ALA 98 Cb -0.12 0.64 -0.11 0.00 0.00 0.00 0.00 23.12 23.53 2r53 s ALA 98 CO 0.29 -0.32 1.50 -2.14 0.00 0.00 0.00 175.76 175.08 2r53 s PRO 99 N -3.92 4.20 -0.01 0.00 0.02 -1.26 -0.35 135.00 133.68 2r53 s PRO 99 Ca 0.29 2.43 0.15 0.00 0.02 0.00 0.00 61.00 63.89 2r53 s PRO 99 Cb 0.06 -3.07 -0.21 0.00 0.02 0.00 0.00 34.50 31.31 2r53 s PRO 99 CO 0.08 -0.50 0.45 0.25 -0.33 0.00 0.00 177.00 176.95 2r53 n THR 100 N 2.12 0.00 -3.65 0.99 -2.24 0.88 -4.81 114.28 107.57 2r53 n THR 100 Ca 0.07 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.51 2r53 n THR 100 Cb 0.39 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.80 0.61 0.15 -0.78 2.20 -1.16 -4.95 119.74 113.00 2r53 s LYS 101 Ca -0.01 1.17 0.06 0.00 -0.36 0.00 0.00 55.97 56.83 2r53 s LYS 101 Cb 0.10 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 2r53 s LYS 101 CO 0.62 -0.17 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.81 2r53 s LEU 102 N 1.85 2.49 -0.04 5.43 1.02 -1.26 0.46 118.68 128.63 2r53 s LEU 102 Ca -0.09 -0.94 0.06 0.00 0.02 0.00 0.00 54.13 53.18 2r53 s LEU 102 Cb -0.07 -0.52 -0.02 0.00 0.02 0.00 0.00 46.19 45.60 2r53 s LEU 102 CO -0.18 -0.21 -0.23 0.20 0.02 0.00 0.00 176.35 175.95 2r53 s ASN 103 N -2.94 3.28 0.93 2.29 0.02 0.26 -4.81 114.94 113.98 2r53 s ASN 103 Ca 0.15 -0.43 -0.12 0.00 -1.02 0.00 0.00 52.86 51.44 2r53 s ASN 103 Cb -0.01 -0.68 0.15 0.00 0.02 0.00 0.00 41.25 40.72 2r53 s ASN 103 CO 0.03 0.29 1.12 0.00 0.02 0.00 0.00 177.10 178.56 2r53 s ALA 104 N -0.42 1.53 0.08 0.60 0.00 -1.26 -1.21 121.76 121.08 2r53 s ALA 104 Ca 0.04 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 2r53 s ALA 104 Cb -0.12 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.96 2r53 s ALA 104 CO 0.01 -2.43 0.33 0.96 0.00 0.00 0.00 175.76 174.63 2r53 s ILE 105 N -3.16 0.09 -0.07 0.00 -4.36 0.14 -4.83 121.20 109.01 2r53 s ILE 105 Ca 0.64 -0.71 0.01 0.00 -0.26 0.00 0.00 60.65 60.32 2r53 s ILE 105 Cb -0.16 -1.09 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 2r53 s ILE 105 CO 0.55 -0.39 -0.07 -0.44 0.24 0.00 0.00 174.94 174.82 2r53 s SER 106 N -2.44 4.63 -0.02 4.36 0.01 -1.26 0.14 113.70 119.12 2r53 s SER 106 Ca -0.01 -0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.26 2r53 s SER 106 Cb 0.01 -1.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 2r53 s SER 106 CO -0.07 0.35 -0.13 -0.69 0.41 0.00 0.00 173.24 173.10 2r53 s VAL 107 N -0.74 1.08 -0.20 3.43 1.01 0.81 -4.44 120.40 121.35 2r53 s VAL 107 Ca 0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2r53 s VAL 107 Cb -0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 2r53 s VAL 107 CO 0.02 0.31 -0.08 -0.22 0.00 0.00 0.00 175.10 175.13 2r53 s LEU 108 N -0.16 2.79 0.20 3.92 2.96 0.13 0.21 118.68 128.73 2r53 s LEU 108 Ca 0.02 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.41 2r53 s LEU 108 Cb -0.07 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.94 2r53 s LEU 108 CO 0.00 0.03 0.42 -0.72 -1.32 0.00 0.00 176.35 174.76 2r53 s TYR 109 N 1.19 0.23 -0.18 5.38 1.13 0.86 -0.96 117.35 124.99 2r53 s TYR 109 Ca 0.02 -0.58 -0.18 0.00 -1.41 0.00 0.00 57.07 54.91 2r53 s TYR 109 Cb -0.14 0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 40.85 2r53 s TYR 109 CO -0.02 -0.88 0.50 -0.06 -2.51 0.00 0.00 175.55 172.58 2r53 s PHE 110 N -3.96 3.40 0.38 -3.49 0.40 -0.42 -0.42 117.98 113.87 2r53 s PHE 110 Ca 0.17 0.79 -0.06 0.00 -0.60 0.00 0.00 56.93 57.22 2r53 s PHE 110 Cb 0.01 -2.64 0.09 0.00 0.51 0.00 0.00 43.02 40.99 2r53 s PHE 110 CO 0.02 -0.04 0.49 -0.40 0.70 0.00 0.00 175.22 175.99 2r53 n ASP 111 N 4.53 -0.18 0.13 1.36 5.68 -0.30 -4.88 116.55 122.88 2r53 n ASP 111 Ca -0.05 -1.12 0.12 0.00 -0.50 0.00 0.00 54.79 53.24 2r53 n ASP 111 Cb 0.51 -0.38 0.48 0.00 -1.14 0.00 0.00 41.12 40.59 2r53 n ASP 111 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2r53 n ASP 112 N -3.38 0.68 -1.50 -1.12 8.00 -1.26 -2.16 116.55 115.82 2r53 n ASP 112 Ca 0.06 0.66 0.09 0.00 0.71 0.00 0.00 54.79 56.30 2r53 n ASP 112 Cb 0.22 -0.81 0.34 0.00 -0.02 0.00 0.00 41.12 40.85 2r53 n ASP 112 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2r53 n ASN 113 N -2.24 4.75 -0.74 -2.24 4.13 -1.26 -4.94 115.26 112.71 2r53 n ASN 113 Ca 0.02 -2.60 -0.10 0.00 1.68 0.00 0.00 54.58 53.59 2r53 n ASN 113 Cb 0.25 -0.57 -0.04 0.00 -1.54 0.00 0.00 39.78 37.87 2r53 n ASN 113 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2r53 n SER 114 N 0.75 -4.76 -4.79 6.41 7.64 -0.92 -5.00 113.62 112.95 2r53 n SER 114 Ca 0.25 0.24 -0.36 0.00 1.01 0.00 0.00 58.87 60.01 2r53 n SER 114 Cb 0.93 -3.12 -0.07 0.00 -1.01 0.00 0.00 64.21 60.95 2r53 n SER 114 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2r53 s ASN 115 N -2.60 7.21 -0.32 6.43 0.01 -1.26 -4.79 114.94 119.62 2r53 s ASN 115 Ca 0.00 1.77 -0.14 0.00 -0.71 0.00 0.00 52.86 53.78 2r53 s ASN 115 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 2r53 s ASN 115 CO 0.00 -0.15 0.31 -0.69 -1.51 0.00 0.00 177.10 175.06 2r53 s VAL 116 N -1.78 5.22 0.02 1.60 1.01 -1.26 -1.15 120.40 124.05 2r53 s VAL 116 Ca 0.53 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.69 2r53 s VAL 116 Cb -0.16 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2r53 s VAL 116 CO 0.20 0.01 -0.26 -0.63 0.00 0.00 0.00 175.10 174.43 2r53 s ILE 117 N 1.92 2.15 -0.22 2.22 1.01 0.43 -4.96 121.20 123.75 2r53 s ILE 117 Ca 0.10 -1.25 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 2r53 s ILE 117 Cb -0.17 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.52 2r53 s ILE 117 CO 0.11 0.46 -0.08 -0.22 0.00 0.00 0.00 174.94 175.21 2r53 s LEU 118 N -0.97 2.87 -0.03 2.97 2.96 -1.26 -0.10 118.68 125.13 2r53 s LEU 118 Ca 0.11 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.45 2r53 s LEU 118 Cb -0.10 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2r53 s LEU 118 CO 0.01 -0.06 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.04 2r53 s LYS 119 N 1.39 1.75 -0.36 1.98 2.20 0.13 -4.95 119.74 121.88 2r53 s LYS 119 Ca 0.04 -0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 54.80 2r53 s LYS 119 Cb -0.15 -1.60 -0.00 0.00 -1.51 0.00 0.00 37.83 34.56 2r53 s LYS 119 CO -0.05 0.36 0.39 0.21 -0.36 0.00 0.00 175.35 175.90 2r53 s LYS 120 N -0.27 3.48 -0.36 4.03 2.20 -1.26 -0.13 119.74 127.43 2r53 s LYS 120 Ca 0.03 -0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 55.06 2r53 s LYS 120 Cb -0.09 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 2r53 s LYS 120 CO 0.01 -0.60 0.23 0.71 -0.36 0.00 0.00 175.35 175.33 2r53 s TYR 121 N 2.08 3.22 0.64 4.03 2.02 0.37 -4.92 117.35 124.80 2r53 s TYR 121 Ca 0.13 -0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 56.24 2r53 s TYR 121 Cb -0.17 -2.47 0.02 0.00 -0.40 0.00 0.00 41.96 38.94 2r53 s TYR 121 CO 0.12 -0.48 0.97 -0.98 -1.57 0.00 0.00 175.55 173.61 2r53 s ARG 122 N 1.66 2.81 -1.23 -0.62 1.70 -1.26 0.23 118.95 122.24 2r53 s ARG 122 Ca 0.05 0.11 -0.05 0.00 -0.47 0.00 0.00 55.73 55.37 2r53 s ARG 122 Cb -0.18 -2.18 -0.01 0.00 -0.57 0.00 0.00 34.95 32.01 2r53 s ARG 122 CO 0.09 -0.87 0.77 0.09 -1.08 0.00 0.00 175.30 174.30 2r53 n ASN 123 N -2.76 -2.79 -0.02 -2.89 3.02 -1.26 -4.88 115.26 103.69 2r53 n ASN 123 Ca 0.06 -0.82 -0.02 0.00 -0.03 0.00 0.00 54.58 53.77 2r53 n ASN 123 Cb 0.58 -4.21 -0.05 0.00 -0.61 0.00 0.00 39.78 35.49 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 -4.08 2.59 -4.20 3.52 2.81 -1.06 -4.97 117.12 111.73 2r53 n MET 124 Ca -0.23 -0.01 -0.33 0.00 -1.81 0.00 0.00 57.70 55.31 2r53 n MET 124 Cb 0.65 -1.15 -0.15 0.00 -0.71 0.00 0.00 33.22 31.86 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 -2.19 2.50 -0.23 2.03 1.01 -0.35 -4.66 120.40 118.51 2r53 s VAL 125 Ca -0.03 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 2r53 s VAL 125 Cb 0.02 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2r53 s VAL 125 CO 0.24 0.51 0.60 0.68 0.00 0.00 0.00 175.10 177.13 2r53 s VAL 126 N 1.19 5.03 -0.16 2.92 -7.23 -0.85 0.93 120.40 122.22 2r53 s VAL 126 Ca 0.02 1.10 0.04 0.00 -1.81 0.00 0.00 61.98 61.33 2r53 s VAL 126 Cb -0.14 -3.91 -0.23 0.00 0.56 0.00 0.00 36.38 32.66 2r53 s VAL 126 CO -0.07 0.09 0.18 0.54 -0.31 0.00 0.00 175.10 175.53 2r53 n ARG 127 N 5.30 0.69 -3.94 4.82 5.12 0.17 -4.81 116.66 124.02 2r53 n ARG 127 Ca -0.02 0.19 -0.10 0.00 -1.93 0.00 0.00 57.85 55.99 2r53 n ARG 127 Cb 0.50 -1.63 -0.10 0.00 -1.16 0.00 0.00 32.46 30.06 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 -2.54 -0.03 0.34 7.54 0.00 -1.10 -4.94 121.76 121.03 2r53 s ALA 128 Ca -0.21 -0.50 0.10 0.00 0.00 0.00 0.00 51.96 51.35 2r53 s ALA 128 Cb 0.07 0.18 -0.06 0.00 0.00 0.00 0.00 23.12 23.31 2r53 s ALA 128 CO 0.74 -0.23 -0.09 0.00 0.00 0.00 0.00 175.76 176.18 2r53 s GLY 130 N -3.62 -0.39 -0.22 0.00 0.00 0.53 -4.69 107.32 98.93 2r53 s GLY 130 Ca 0.33 0.99 -0.26 0.00 0.00 0.00 0.00 44.72 45.78 2r53 s GLY 130 CO 0.17 0.32 0.88 0.00 0.00 0.00 0.00 173.10 174.46