#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y00 s LEU 2 N 0.00 3.74 -0.49 4.03 2.96 -1.26 -5.07 118.68 122.59 1y00 s LEU 2 Ca 0.00 -1.35 -0.17 0.00 -0.22 0.00 0.00 54.13 52.39 1y00 s LEU 2 Cb 0.00 -1.64 0.07 0.00 0.50 0.00 0.00 46.19 45.11 1y00 s LEU 2 CO 0.00 -0.24 0.51 -0.63 -1.32 0.00 0.00 176.35 174.67 1y00 s ILE 3 N 1.18 5.06 -0.24 6.68 -1.09 -1.26 -5.02 121.20 126.52 1y00 s ILE 3 Ca -0.06 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.58 1y00 s ILE 3 Cb -0.20 -4.21 0.06 0.00 -1.58 0.00 0.00 42.46 36.53 1y00 s ILE 3 CO -0.03 -0.69 -0.07 -0.22 -1.23 0.00 0.00 174.94 172.70 1y00 s LEU 4 N 2.12 2.75 -0.87 2.97 1.98 -1.26 -5.04 118.68 121.33 1y00 s LEU 4 Ca 0.09 -1.20 -0.26 0.00 -2.89 0.00 0.00 54.13 49.87 1y00 s LEU 4 Cb -0.22 -1.27 -0.23 0.00 0.66 0.00 0.00 46.19 45.13 1y00 s LEU 4 CO 0.09 -0.22 1.96 0.41 -1.89 0.00 0.00 176.35 176.71 1y00 n THR 5 N 4.62 0.55 -2.78 3.68 -1.04 -1.26 -4.89 114.28 113.16 1y00 n THR 5 Ca -0.13 -0.55 -0.37 0.00 -2.04 0.00 0.00 64.05 60.96 1y00 n THR 5 Cb 0.44 -2.06 -0.06 0.00 -1.82 0.00 0.00 70.33 66.82 1y00 n THR 5 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1y00 s ARG 6 N 7.54 4.62 0.00 -2.82 0.52 -1.26 -4.84 118.95 122.70 1y00 s ARG 6 Ca 0.75 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 1y00 s ARG 6 Cb 0.01 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.61 1y00 s ARG 6 CO 0.20 0.32 0.00 -2.13 0.02 0.00 0.00 175.30 173.71 1y00 n ARG 7 N 0.71 0.00 -0.13 3.54 0.63 -1.24 -4.54 116.66 115.63 1y00 n ARG 7 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1y00 n ARG 7 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1y00 n ARG 7 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1y00 n VAL 8 N 0.00 0.00 0.00 5.15 0.24 -1.25 -4.07 118.33 118.40 1y00 n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1y00 n VAL 8 Cb 0.03 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1y00 n VAL 8 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y00 n GLY 9 N 0.00 1.50 0.00 7.63 0.00 -1.26 -5.14 105.19 107.93 1y00 n GLY 9 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1y00 n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1y00 n GLU 10 N 0.00 2.45 -3.84 1.61 4.07 -1.26 -5.04 120.64 118.63 1y00 n GLU 10 Ca 0.00 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.87 1y00 n GLU 10 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 1y00 n GLU 10 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1y00 s THR 11 N 1.03 2.59 0.16 6.31 -4.23 -1.26 -4.74 115.64 115.50 1y00 s THR 11 Ca 0.00 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 1y00 s THR 11 Cb 0.00 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1y00 s THR 11 CO 0.00 -0.02 0.03 -1.48 -0.54 0.00 0.00 174.62 172.61 1y00 s LEU 12 N -4.01 3.45 -0.31 4.79 2.34 -1.10 -4.92 118.68 118.92 1y00 s LEU 12 Ca 0.44 -0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.32 1y00 s LEU 12 Cb -0.00 -2.10 0.10 0.00 -0.56 0.00 0.00 46.19 43.63 1y00 s LEU 12 CO 0.25 0.09 0.09 -0.32 -1.06 0.00 0.00 176.35 175.40 1y00 s MET 13 N -2.93 0.86 -0.17 1.48 -2.45 -1.26 -1.90 119.30 112.93 1y00 s MET 13 Ca 0.28 -1.21 -0.01 0.00 -1.25 0.00 0.00 55.69 53.50 1y00 s MET 13 Cb -0.10 -2.22 -0.01 0.00 1.25 0.00 0.00 34.83 33.76 1y00 s MET 13 CO 0.20 -0.97 -0.11 -1.50 1.05 0.00 0.00 175.02 173.69 1y00 s ILE 14 N 1.49 3.00 0.00 10.11 1.10 -1.26 -4.91 121.20 130.72 1y00 s ILE 14 Ca 0.10 -0.65 0.00 0.00 -0.51 0.00 0.00 60.65 59.59 1y00 s ILE 14 Cb -0.18 -2.30 0.00 0.00 0.15 0.00 0.00 42.46 40.14 1y00 s ILE 14 CO -0.22 0.49 0.00 0.61 -2.11 0.00 0.00 174.94 173.71 1y00 n GLY 15 N 4.17 1.07 0.10 1.50 0.00 -1.26 -4.66 105.19 106.11 1y00 n GLY 15 Ca -0.19 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1y00 n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y00 n ASP 16 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -5.01 116.55 111.81 1y00 n ASP 16 Ca 0.00 -0.96 0.00 0.00 -1.51 0.00 0.00 54.79 52.32 1y00 n ASP 16 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1y00 n ASP 16 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1y00 n GLU 17 N 0.00 0.00 0.00 -0.67 4.07 -1.26 -5.16 120.64 117.62 1y00 n GLU 17 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1y00 n GLU 17 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1y00 n GLU 17 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1y00 n VAL 18 N 0.00 0.00 0.00 6.31 0.24 -1.26 -4.27 118.33 119.35 1y00 n VAL 18 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1y00 n VAL 18 Cb 0.00 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 1y00 n VAL 18 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1y00 n THR 19 N 0.00 0.00 -4.05 3.34 5.66 0.52 -4.87 114.28 114.88 1y00 n THR 19 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1y00 n THR 19 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 1y00 n THR 19 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1y00 s VAL 20 N 0.00 2.34 -0.38 1.08 1.01 -0.80 -0.60 120.40 123.05 1y00 s VAL 20 Ca 0.00 -1.30 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 1y00 s VAL 20 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1y00 s VAL 20 CO 0.00 0.17 0.43 -0.89 0.00 0.00 0.00 175.10 174.81 1y00 s THR 21 N 1.21 5.09 -0.34 3.92 2.01 0.65 -2.69 115.64 125.49 1y00 s THR 21 Ca -0.03 -0.03 0.26 0.00 0.31 0.00 0.00 61.69 62.20 1y00 s THR 21 Cb -0.17 -3.95 0.34 0.00 0.01 0.00 0.00 72.50 68.73 1y00 s THR 21 CO -0.07 -0.26 1.74 -0.37 -0.69 0.00 0.00 174.62 174.97 1y00 h VAL 22 N 5.64 0.00 0.00 3.82 -1.51 -1.85 0.47 116.25 122.82 1y00 h VAL 22 Ca -0.28 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1y00 h VAL 22 Cb 1.13 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1y00 h VAL 22 CO 0.76 0.00 0.00 -0.11 -1.23 0.00 0.00 177.57 176.99 1y00 n LEU 23 N -2.94 0.00 0.00 4.19 -0.00 -1.26 -4.42 117.00 112.57 1y00 n LEU 23 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1y00 n LEU 23 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1y00 n LEU 23 CO 0.31 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 1y00 n GLY 24 N 0.00 2.32 3.78 -3.96 0.00 -1.26 -3.71 105.19 102.35 1y00 n GLY 24 Ca 0.00 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1y00 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y00 s VAL 25 N -0.57 4.52 0.00 1.61 1.01 -1.26 -4.85 120.40 120.86 1y00 s VAL 25 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1y00 s VAL 25 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1y00 s VAL 25 CO 0.00 0.51 0.00 0.29 0.00 0.00 0.00 175.10 175.90 1y00 n LYS 26 N 1.81 0.00 -2.41 2.72 4.76 -1.26 -4.47 118.16 119.30 1y00 n LYS 26 Ca -0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 1y00 n LYS 26 Cb 0.49 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.66 1y00 n LYS 26 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1y00 s GLY 27 N 0.00 0.94 0.00 0.72 0.00 -1.26 -4.60 107.32 103.11 1y00 s GLY 27 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1y00 s GLY 27 CO 0.00 2.76 0.00 0.70 0.00 0.00 0.00 173.10 176.56 1y00 n ASN 28 N 9.37 0.00 -4.76 1.64 4.13 -1.26 -4.72 115.26 119.66 1y00 n ASN 28 Ca 0.12 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.98 1y00 n ASN 28 Cb 0.49 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.68 1y00 n ASN 28 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1y00 s GLN 29 N 0.00 4.52 -0.27 3.52 2.00 -1.26 -5.04 119.66 123.14 1y00 s GLN 29 Ca 0.00 1.11 -0.17 0.00 -2.00 0.00 0.00 55.36 54.29 1y00 s GLN 29 Cb 0.00 -3.32 -0.03 0.00 0.80 0.00 0.00 33.01 30.46 1y00 s GLN 29 CO 0.00 0.41 0.48 0.08 -0.50 0.00 0.00 175.29 175.76 1y00 s VAL 30 N -0.53 5.09 -0.73 1.34 1.01 -1.26 -4.62 120.40 120.71 1y00 s VAL 30 Ca 0.37 0.79 -0.26 0.00 0.00 0.00 0.00 61.98 62.88 1y00 s VAL 30 Cb -0.22 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1y00 s VAL 30 CO 0.24 0.09 1.54 -0.60 0.00 0.00 0.00 175.10 176.38 1y00 s ARG 31 N 2.26 2.98 -0.21 2.72 6.06 -1.26 -4.97 118.95 126.53 1y00 s ARG 31 Ca 0.20 -0.01 -0.18 0.00 -2.50 0.00 0.00 55.73 53.23 1y00 s ARG 31 Cb -0.16 -4.40 -0.03 0.00 0.06 0.00 0.00 34.95 30.42 1y00 s ARG 31 CO 0.09 -2.44 0.50 0.42 -2.50 0.00 0.00 175.30 171.38 1y00 s ILE 32 N 7.13 5.11 -0.27 4.11 -1.09 -1.26 -4.57 121.20 130.35 1y00 s ILE 32 Ca 0.49 0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 59.73 1y00 s ILE 32 Cb -0.09 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1y00 s ILE 32 CO 0.14 0.17 0.12 -0.83 -1.23 0.00 0.00 174.94 173.31 1y00 s GLY 33 N 1.22 1.84 -0.40 6.18 0.00 0.16 -5.02 107.32 111.30 1y00 s GLY 33 Ca 0.23 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 1y00 s GLY 33 CO 0.09 0.60 0.21 0.14 0.00 0.00 0.00 173.10 174.15 1y00 s VAL 34 N 1.66 3.77 -0.44 1.40 1.01 -1.26 -0.25 120.40 126.29 1y00 s VAL 34 Ca 0.06 -1.62 -0.15 0.00 0.00 0.00 0.00 61.98 60.27 1y00 s VAL 34 Cb -0.16 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.89 1y00 s VAL 34 CO 0.07 -0.53 0.34 0.21 0.00 0.00 0.00 175.10 175.18 1y00 s ASN 35 N 1.95 6.08 -0.00 3.32 3.84 0.23 -4.98 114.94 125.38 1y00 s ASN 35 Ca 0.04 -1.13 -0.04 0.00 0.21 0.00 0.00 52.86 51.93 1y00 s ASN 35 Cb -0.23 -2.15 -0.00 0.00 -0.55 0.00 0.00 41.25 38.32 1y00 s ASN 35 CO -0.00 -0.54 0.08 0.00 -2.79 0.00 0.00 177.10 173.85 1y00 s ALA 36 N 1.64 -0.18 0.59 1.71 0.00 -1.26 -0.36 121.76 123.90 1y00 s ALA 36 Ca 0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.69 1y00 s ALA 36 Cb -0.22 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1y00 s ALA 36 CO 0.08 -0.16 1.03 -1.25 0.00 0.00 0.00 175.76 175.46 1y00 s PRO 37 N -1.08 3.53 -0.24 0.00 0.04 -1.26 -4.96 135.00 131.03 1y00 s PRO 37 Ca -0.12 0.99 0.02 0.00 0.04 0.00 0.00 61.00 61.93 1y00 s PRO 37 Cb -0.07 -2.07 0.35 0.00 0.04 0.00 0.00 34.50 32.75 1y00 s PRO 37 CO 0.01 -0.62 1.51 1.17 0.04 0.00 0.00 177.00 179.10 1y00 n LYS 38 N -2.19 1.67 -0.09 4.56 4.81 -1.26 -3.98 118.16 121.69 1y00 n LYS 38 Ca 0.07 -1.61 -0.11 0.00 -0.87 0.00 0.00 58.31 55.79 1y00 n LYS 38 Cb 0.54 -1.63 -0.09 0.00 0.02 0.00 0.00 35.03 33.87 1y00 n LYS 38 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1y00 n GLU 39 N -0.36 0.71 -3.40 1.64 4.07 -1.26 -4.99 120.64 117.05 1y00 n GLU 39 Ca 0.32 0.08 -0.34 0.00 -0.06 0.00 0.00 57.16 57.17 1y00 n GLU 39 Cb 1.11 -1.36 -0.06 0.00 -0.06 0.00 0.00 31.44 31.07 1y00 n GLU 39 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1y00 s VAL 40 N -2.36 4.91 -0.62 6.31 1.01 -1.26 -4.97 120.40 123.43 1y00 s VAL 40 Ca -0.21 0.63 -0.27 0.00 0.00 0.00 0.00 61.98 62.13 1y00 s VAL 40 Cb 0.06 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.66 1y00 s VAL 40 CO 0.45 0.08 2.49 -0.24 0.00 0.00 0.00 175.10 177.88 1y00 n SER 41 N 0.33 1.79 -4.11 3.32 2.88 -1.26 -4.91 113.62 111.65 1y00 n SER 41 Ca -0.02 -0.32 -0.31 0.00 -1.33 0.00 0.00 58.87 56.89 1y00 n SER 41 Cb 0.52 -1.41 -0.17 0.00 -0.75 0.00 0.00 64.21 62.41 1y00 n SER 41 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1y00 s VAL 42 N 11.33 1.80 -0.03 2.46 0.11 -1.26 -5.12 120.40 129.69 1y00 s VAL 42 Ca 1.08 -0.82 0.04 0.00 -2.93 0.00 0.00 61.98 59.35 1y00 s VAL 42 Cb -0.47 -1.62 -0.00 0.00 -1.53 0.00 0.00 36.38 32.76 1y00 s VAL 42 CO 0.32 0.50 -0.15 -1.00 -3.33 0.00 0.00 175.10 171.45 1y00 s HIS 43 N 0.95 1.44 0.25 1.54 3.76 -1.26 -5.14 115.29 116.84 1y00 s HIS 43 Ca -0.05 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1y00 s HIS 43 Cb -0.15 -0.98 0.00 0.00 1.11 0.00 0.00 32.58 32.57 1y00 s HIS 43 CO -0.03 -0.12 0.33 0.54 -0.85 0.00 0.00 174.74 174.61 1y00 n ARG 44 N 3.10 0.48 -1.76 1.40 3.00 -1.26 -5.13 116.66 116.49 1y00 n ARG 44 Ca -0.17 -2.03 -0.42 0.00 -0.01 0.00 0.00 57.85 55.22 1y00 n ARG 44 Cb 0.54 1.92 -0.01 0.00 0.00 0.00 0.00 32.46 34.91 1y00 n ARG 44 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1y00 n GLU 45 N -0.42 2.64 0.32 5.56 2.13 -1.26 -4.93 120.64 124.67 1y00 n GLU 45 Ca 0.01 0.93 -0.17 0.00 0.66 0.00 0.00 57.16 58.59 1y00 n GLU 45 Cb 0.42 -2.67 -0.09 0.00 0.27 0.00 0.00 31.44 29.37 1y00 n GLU 45 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1y00 h GLU 46 N 3.66 -0.94 -0.85 5.31 3.07 -2.00 -2.73 114.58 120.10 1y00 h GLU 46 Ca -0.49 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 58.54 1y00 h GLU 46 Cb 1.24 0.21 -0.08 0.00 -0.84 0.00 0.00 28.75 29.28 1y00 h GLU 46 CO 0.70 -0.62 0.49 0.97 -1.40 0.00 0.00 179.01 179.15 1y00 h ILE 47 N -0.97 0.89 -0.41 3.13 2.10 -1.96 0.54 117.51 120.83 1y00 h ILE 47 Ca -0.07 -0.28 0.06 0.00 1.08 0.00 0.00 64.86 65.65 1y00 h ILE 47 Cb 0.81 0.02 -0.09 0.00 -1.09 0.00 0.00 36.82 36.47 1y00 h ILE 47 CO 0.01 0.15 -0.51 1.88 -1.08 0.00 0.00 178.15 178.59 1y00 h TYR 48 N 0.80 -1.55 0.00 2.19 -1.99 -1.88 0.26 116.97 114.80 1y00 h TYR 48 Ca 0.42 0.08 -0.02 0.00 2.00 0.00 0.00 58.73 61.21 1y00 h TYR 48 Cb 0.42 0.73 -0.00 0.00 2.00 0.00 0.00 36.73 39.88 1y00 h TYR 48 CO -0.06 -0.48 -0.08 1.96 -0.00 0.00 0.00 178.16 179.51 1y00 h GLN 49 N -0.38 0.00 0.00 4.88 4.20 -1.19 -2.62 115.11 120.01 1y00 h GLN 49 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1y00 h GLN 49 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1y00 h GLN 49 CO -0.59 0.08 0.00 2.89 -0.67 0.00 0.00 178.83 180.54 1y00 n ARG 50 N -3.15 0.18 -0.06 1.46 1.85 0.15 0.14 116.66 117.23 1y00 n ARG 50 Ca 0.02 0.32 -0.07 0.00 -1.00 0.00 0.00 57.85 57.13 1y00 n ARG 50 Cb 0.47 -1.79 -0.08 0.00 -1.05 0.00 0.00 32.46 30.01 1y00 n ARG 50 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1y00 n ILE 51 N -2.11 0.79 -0.09 8.89 5.41 -0.37 -1.21 119.36 130.66 1y00 n ILE 51 Ca 0.03 -0.43 -0.20 0.00 1.00 0.00 0.00 62.75 63.16 1y00 n ILE 51 Cb 0.28 -0.80 -0.07 0.00 -0.71 0.00 0.00 39.64 38.35 1y00 n ILE 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y00 n GLN 52 N -2.57 0.41 0.05 0.38 3.00 -1.00 -4.67 117.38 112.98 1y00 n GLN 52 Ca -0.21 0.18 -0.02 0.00 -0.01 0.00 0.00 57.00 56.95 1y00 n GLN 52 Cb 0.84 -1.19 -0.01 0.00 0.00 0.00 0.00 30.24 29.87 1y00 n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1y00 h ALA 53 N -0.70 -0.92 -3.07 -1.58 0.00 -0.76 -3.42 119.26 108.80 1y00 h ALA 53 Ca -0.46 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 1y00 h ALA 53 Cb 1.37 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.91 1y00 h ALA 53 CO -0.28 -0.91 -0.75 -2.00 0.00 0.00 0.00 179.25 175.31 1y00 s GLU 54 N -3.04 3.17 -0.51 0.00 2.56 0.36 -5.00 118.70 116.24 1y00 s GLU 54 Ca -0.02 -0.75 -0.27 0.00 0.00 0.00 0.00 54.97 53.93 1y00 s GLU 54 Cb 0.00 -2.94 -0.09 0.00 2.00 0.00 0.00 34.13 33.10 1y00 s GLU 54 CO 0.05 -0.26 2.42 1.63 -0.56 0.00 0.00 175.26 178.54 1y00 n LYS 55 N 4.74 1.03 0.00 4.30 5.02 -1.26 -3.77 118.16 128.22 1y00 n LYS 55 Ca -0.18 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1y00 n LYS 55 Cb 0.50 -3.16 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 1y00 n LYS 55 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y00 n SER 56 N 14.55 -1.82 -4.80 4.39 2.88 -0.35 -4.71 113.62 123.76 1y00 n SER 56 Ca 0.40 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.62 1y00 n SER 56 Cb 0.46 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.97 1y00 n SER 56 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1y00 s GLN 57 N 0.00 2.95 0.04 -1.46 -0.21 -1.26 -4.87 119.66 114.84 1y00 s GLN 57 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 55.36 56.48 1y00 s GLN 57 Cb 0.00 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.02 1y00 s GLN 57 CO 0.00 -1.10 0.00 0.94 -2.12 0.00 0.00 175.29 173.01 1y00 n GLN 58 N -2.79 0.00 -1.51 2.91 7.27 -1.26 -4.97 117.38 117.03 1y00 n GLN 58 Ca 0.08 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.18 1y00 n GLN 58 Cb 0.53 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.25 1y00 n GLN 58 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1y00 n SER 59 N -2.46 1.42 -4.06 1.69 2.88 -1.26 -5.04 113.62 106.79 1y00 n SER 59 Ca 0.00 -2.50 -0.31 0.00 -1.33 0.00 0.00 58.87 54.73 1y00 n SER 59 Cb 0.00 -0.38 -0.16 0.00 -0.75 0.00 0.00 64.21 62.92 1y00 n SER 59 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1y00 s SER 60 N -2.59 2.84 0.00 -3.46 0.01 -1.26 -5.25 113.70 103.98 1y00 s SER 60 Ca 0.35 -0.54 0.13 0.00 1.31 0.00 0.00 55.95 57.20 1y00 s SER 60 Cb 0.38 -1.28 0.10 0.00 0.21 0.00 0.00 66.02 65.43 1y00 s SER 60 CO -0.12 -0.03 0.91 -1.22 0.41 0.00 0.00 173.24 173.19