#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s0y s MET 3 N 0.00 1.32 0.01 0.54 -1.94 -1.26 -0.50 119.30 117.47 1s0y s MET 3 Ca 0.00 -0.42 0.04 0.00 -1.71 0.00 0.00 55.69 53.59 1s0y s MET 3 Cb 0.00 -1.18 -0.01 0.00 2.01 0.00 0.00 34.83 35.65 1s0y s MET 3 CO 0.00 0.15 -0.12 0.42 -0.01 0.00 0.00 175.02 175.47 1s0y s ILE 4 N 0.19 0.91 0.01 2.53 1.01 0.61 -4.96 121.20 121.49 1s0y s ILE 4 Ca -0.04 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 59.98 1s0y s ILE 4 Cb -0.10 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1s0y s ILE 4 CO 0.01 0.13 -0.13 -0.94 0.00 0.00 0.00 174.94 174.01 1s0y s SER 5 N -0.61 1.52 -0.18 3.58 1.04 -1.26 -0.66 113.70 117.14 1s0y s SER 5 Ca 0.02 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1s0y s SER 5 Cb -0.06 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.96 1s0y s SER 5 CO 0.00 0.11 -0.07 0.00 0.98 0.00 0.00 173.24 174.26 1s0y s ASP 7 N 1.54 6.26 0.14 0.00 1.01 -1.26 -0.66 116.67 123.69 1s0y s ASP 7 Ca 0.00 -0.25 0.06 0.00 0.71 0.00 0.00 52.55 53.06 1s0y s ASP 7 Cb -0.16 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1s0y s ASP 7 CO -0.08 -0.50 -0.13 -0.04 0.21 0.00 0.00 175.17 174.63 1s0y s MET 8 N 2.29 1.06 0.54 8.23 -1.94 0.38 -4.97 119.30 124.88 1s0y s MET 8 Ca 0.16 -1.32 -0.21 0.00 -1.71 0.00 0.00 55.69 52.61 1s0y s MET 8 Cb -0.16 -0.87 -0.05 0.00 2.01 0.00 0.00 34.83 35.76 1s0y s MET 8 CO 0.14 0.15 1.20 1.03 -0.01 0.00 0.00 175.02 177.53 1s0y s ARG 9 N -2.99 3.32 0.73 2.03 0.52 -1.26 -1.29 118.95 120.01 1s0y s ARG 9 Ca 0.12 1.82 -0.13 0.00 -0.52 0.00 0.00 55.73 57.01 1s0y s ARG 9 Cb -0.03 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.35 1s0y s ARG 9 CO 0.03 -0.93 1.14 -0.47 0.02 0.00 0.00 175.30 175.09 1s0y s TYR 10 N -1.58 2.33 0.00 -0.53 5.04 0.20 -4.48 117.35 118.33 1s0y s TYR 10 Ca 0.71 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.94 1s0y s TYR 10 Cb -0.30 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 38.76 1s0y s TYR 10 CO 0.34 -2.10 0.00 0.41 -1.34 0.00 0.00 175.55 172.86 1s0y n GLY 11 N -0.31 2.89 3.78 8.97 0.00 -1.26 -4.20 105.19 115.05 1s0y n GLY 11 Ca 0.11 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1s0y n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s0y s ARG 12 N 0.00 3.98 0.72 1.61 3.00 -1.26 -4.78 118.95 122.21 1s0y s ARG 12 Ca 0.00 2.55 -0.11 0.00 0.00 0.00 0.00 55.73 58.17 1s0y s ARG 12 Cb 0.00 -2.88 0.02 0.00 0.00 0.00 0.00 34.95 32.09 1s0y s ARG 12 CO 0.00 -0.63 1.08 0.95 0.00 0.00 0.00 175.30 176.70 1s0y s THR 13 N -1.14 3.71 0.29 0.02 -4.23 -1.26 -4.88 115.64 108.15 1s0y s THR 13 Ca 0.55 0.56 0.02 0.00 -1.18 0.00 0.00 61.69 61.64 1s0y s THR 13 Cb -0.46 -3.41 0.29 0.00 1.34 0.00 0.00 72.50 70.26 1s0y s THR 13 CO 0.62 -0.73 1.83 0.44 -0.54 0.00 0.00 174.62 176.25 1s0y h ASP 14 N -0.75 0.89 -0.25 3.99 3.45 -2.00 -1.81 116.42 119.95 1s0y h ASP 14 Ca -0.45 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.06 1s0y h ASP 14 Cb 1.24 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 1s0y h ASP 14 CO 0.60 0.45 0.15 -0.33 -1.57 0.00 0.00 179.24 178.55 1s0y h GLU 15 N 0.95 0.33 -0.67 3.56 4.39 -1.99 -1.65 114.58 119.50 1s0y h GLU 15 Ca 0.51 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.13 1s0y h GLU 15 Cb 0.56 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1s0y h GLU 15 CO -0.28 0.26 0.24 1.96 -1.16 0.00 0.00 179.01 180.03 1s0y h GLN 16 N 0.32 1.00 0.13 2.33 4.20 -1.76 -2.18 115.11 119.15 1s0y h GLN 16 Ca 0.09 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1s0y h GLN 16 Cb 0.00 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1s0y h GLN 16 CO -0.02 0.84 -0.06 0.87 -0.67 0.00 0.00 178.83 179.79 1s0y h LYS 17 N 0.97 -0.17 0.00 1.46 1.57 -1.02 -0.03 116.57 119.35 1s0y h LYS 17 Ca 0.22 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1s0y h LYS 17 Cb 0.23 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1s0y h LYS 17 CO -0.01 -0.04 0.00 2.89 -0.57 0.00 0.00 179.45 181.71 1s0y n ARG 18 N -5.13 0.07 -0.01 3.15 1.85 -0.65 -0.95 116.66 114.99 1s0y n ARG 18 Ca -0.08 0.14 -0.10 0.00 -1.00 0.00 0.00 57.85 56.80 1s0y n ARG 18 Cb 0.13 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 29.90 1s0y n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s0y h ALA 19 N 2.76 0.72 -0.06 2.89 0.00 -1.01 -2.77 119.26 121.79 1s0y h ALA 19 Ca 0.00 -1.43 -0.23 0.00 0.00 0.00 0.00 54.91 53.25 1s0y h ALA 19 Cb 0.31 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1s0y h ALA 19 CO 0.00 1.54 -0.89 1.25 0.00 0.00 0.00 179.25 181.15 1s0y h LEU 20 N 0.01 0.75 -0.76 0.00 7.12 -0.30 -2.84 115.31 119.28 1s0y h LEU 20 Ca -0.29 -0.55 -0.12 0.00 0.13 0.00 0.00 57.88 57.05 1s0y h LEU 20 Cb 2.01 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.90 1s0y h LEU 20 CO 0.08 1.34 -0.37 0.77 -0.13 0.00 0.00 178.44 180.13 1s0y h SER 21 N 0.37 0.53 -0.41 1.25 4.64 -1.14 -0.74 113.55 118.06 1s0y h SER 21 Ca -0.08 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1s0y h SER 21 Cb 1.52 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 1s0y h SER 21 CO 0.17 0.86 0.13 0.00 -0.87 0.00 0.00 176.83 177.12 1s0y h ALA 22 N 1.17 0.54 -0.12 5.18 0.00 -1.48 0.15 119.26 124.70 1s0y h ALA 22 Ca 0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1s0y h ALA 22 Cb 0.84 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1s0y h ALA 22 CO 0.07 0.17 -0.56 0.78 0.00 0.00 0.00 179.25 179.71 1s0y h GLY 23 N 0.52 0.40 0.52 0.00 0.00 -1.35 -2.11 103.07 101.05 1s0y h GLY 23 Ca 0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1s0y h GLY 23 CO -0.01 0.42 -0.15 1.41 0.00 0.00 0.00 176.54 178.22 1s0y h LEU 24 N 0.28 0.20 -1.38 3.11 4.07 -0.97 -2.22 115.31 118.39 1s0y h LEU 24 Ca 0.00 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.32 1s0y h LEU 24 Cb 1.07 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.72 1s0y h LEU 24 CO 0.09 0.81 0.36 -0.07 -1.08 0.00 0.00 178.44 178.56 1s0y h LEU 25 N -0.39 0.68 0.27 1.67 4.07 -0.72 -1.96 115.31 118.92 1s0y h LEU 25 Ca -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1s0y h LEU 25 Cb 0.80 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1s0y h LEU 25 CO 0.03 0.51 -0.13 0.03 -1.08 0.00 0.00 178.44 177.81 1s0y h ARG 26 N 0.80 -0.34 -0.31 1.13 -0.00 -1.37 -0.85 114.38 113.43 1s0y h ARG 26 Ca 0.21 0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.73 1s0y h ARG 26 Cb -0.05 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 29.97 1s0y h ARG 26 CO -0.04 -0.04 0.18 -0.39 0.00 0.00 0.00 179.97 179.68 1s0y h VAL 27 N -0.66 1.03 -0.25 2.04 -1.51 -1.23 -1.10 116.25 114.56 1s0y h VAL 27 Ca -0.04 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 65.26 1s0y h VAL 27 Cb 0.46 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 1s0y h VAL 27 CO 0.06 0.07 -0.07 0.40 -1.23 0.00 0.00 177.57 176.80 1s0y h ILE 28 N 0.37 1.19 -0.24 7.19 1.08 -1.42 -0.89 117.51 124.78 1s0y h ILE 28 Ca 0.12 -0.79 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 1s0y h ILE 28 Cb 0.01 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 1s0y h ILE 28 CO -0.06 0.26 -0.00 -1.28 -0.69 0.00 0.00 178.15 176.38 1s0y h SER 29 N 0.38 0.42 0.89 1.72 0.87 -0.43 -1.00 113.55 116.40 1s0y h SER 29 Ca 0.08 -0.31 -0.15 0.00 -1.23 0.00 0.00 61.79 60.18 1s0y h SER 29 Cb 0.36 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1s0y h SER 29 CO 0.02 0.63 -0.70 -0.33 -0.53 0.00 0.00 176.83 175.92 1s0y h GLU 30 N 0.21 0.00 0.02 2.24 5.08 -1.02 0.25 114.58 121.35 1s0y h GLU 30 Ca 0.07 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.17 1s0y h GLU 30 Cb 0.41 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.68 1s0y h GLU 30 CO 0.01 0.70 -1.04 0.00 -1.00 0.00 0.00 179.01 177.69 1s0y h ALA 31 N 1.30 0.20 -0.01 3.43 0.00 -1.13 -3.33 119.26 119.72 1s0y h ALA 31 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1s0y h ALA 31 Cb 1.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1s0y h ALA 31 CO 0.09 0.74 -0.71 0.25 0.00 0.00 0.00 179.25 179.62 1s0y n THR 32 N -3.80 0.00 -0.88 0.00 -2.24 -0.38 -4.94 114.28 102.04 1s0y n THR 32 Ca -0.10 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1s0y n THR 32 Cb 0.88 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1s0y n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s0y n GLY 33 N 1.46 0.32 3.75 3.38 0.00 0.86 -4.96 105.19 110.01 1s0y n GLY 33 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1s0y n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s0y s GLU 34 N -0.86 4.30 0.72 1.61 2.56 -1.12 -5.01 118.70 120.91 1s0y s GLU 34 Ca 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 54.97 55.47 1s0y s GLU 34 Cb 0.00 -3.37 0.04 0.00 2.00 0.00 0.00 34.13 32.80 1s0y s GLU 34 CO 0.00 0.31 1.16 -1.25 -0.56 0.00 0.00 175.26 174.91 1s0y s PRO 35 N 0.06 2.29 0.37 4.30 0.04 -1.26 -4.34 135.00 136.45 1s0y s PRO 35 Ca 0.30 1.57 0.14 0.00 0.04 0.00 0.00 61.00 63.05 1s0y s PRO 35 Cb -0.17 -1.87 0.99 0.00 0.04 0.00 0.00 34.50 33.49 1s0y s PRO 35 CO 0.15 -1.68 1.77 0.00 0.04 0.00 0.00 177.00 177.28 1s0y h ARG 36 N -0.37 0.49 0.00 4.56 3.08 -1.93 0.25 114.38 120.45 1s0y h ARG 36 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1s0y h ARG 36 Cb 1.27 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1s0y h ARG 36 CO 0.51 0.32 0.00 0.93 -1.07 0.00 0.00 179.97 180.66 1s0y h GLU 37 N 0.50 0.00 -0.68 0.04 5.08 -1.97 -2.24 114.58 115.31 1s0y h GLU 37 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1s0y h GLU 37 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1s0y h GLU 37 CO -0.33 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.77 1s0y n ASN 38 N -2.31 4.11 -4.27 1.42 3.02 0.08 -4.84 115.26 112.46 1s0y n ASN 38 Ca 0.01 -2.19 -0.36 0.00 -0.03 0.00 0.00 54.58 52.01 1s0y n ASN 38 Cb 0.18 -0.51 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 1s0y n ASN 38 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1s0y s ILE 39 N -1.41 3.55 0.06 2.41 1.01 -0.84 -0.60 121.20 125.38 1s0y s ILE 39 Ca 0.48 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1s0y s ILE 39 Cb 0.27 -2.89 -0.06 0.00 0.01 0.00 0.00 42.46 39.79 1s0y s ILE 39 CO 0.28 0.03 0.65 0.12 0.00 0.00 0.00 174.94 176.02 1s0y s PHE 40 N 1.41 3.77 -0.03 3.97 5.36 0.35 -4.97 117.98 127.83 1s0y s PHE 40 Ca 0.00 1.35 0.01 0.00 -0.96 0.00 0.00 56.93 57.33 1s0y s PHE 40 Cb -0.18 -2.64 0.02 0.00 -0.34 0.00 0.00 43.02 39.88 1s0y s PHE 40 CO 0.00 0.44 -0.03 0.12 -1.46 0.00 0.00 175.22 174.30 1s0y s PHE 41 N -0.62 0.54 -0.04 10.12 5.36 -1.26 -0.28 117.98 131.80 1s0y s PHE 41 Ca 0.32 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.22 1s0y s PHE 41 Cb -0.20 -0.52 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 1s0y s PHE 41 CO 0.20 -0.15 -0.14 0.54 -1.46 0.00 0.00 175.22 174.22 1s0y s VAL 42 N 0.85 1.21 -0.17 3.12 0.11 0.17 -4.99 120.40 120.70 1s0y s VAL 42 Ca -0.10 -0.58 -0.07 0.00 -2.93 0.00 0.00 61.98 58.30 1s0y s VAL 42 Cb -0.13 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1s0y s VAL 42 CO -0.01 0.36 0.04 -0.63 -3.33 0.00 0.00 175.10 171.54 1s0y s ILE 43 N 0.19 4.63 -0.19 7.04 1.01 -1.26 -0.57 121.20 132.05 1s0y s ILE 43 Ca -0.06 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1s0y s ILE 43 Cb -0.11 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.31 1s0y s ILE 43 CO 0.02 0.47 -0.19 -0.13 0.00 0.00 0.00 174.94 175.11 1s0y s ARG 44 N 0.32 2.94 -0.03 2.79 0.52 0.16 -4.95 118.95 120.70 1s0y s ARG 44 Ca 0.02 -0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1s0y s ARG 44 Cb -0.13 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1s0y s ARG 44 CO 0.01 -0.24 0.02 -1.21 0.02 0.00 0.00 175.30 173.90 1s0y s GLU 45 N 1.28 2.91 0.01 3.54 2.02 -1.25 -0.47 118.70 126.73 1s0y s GLU 45 Ca 0.04 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1s0y s GLU 45 Cb -0.14 -2.75 -0.00 0.00 0.10 0.00 0.00 34.13 31.34 1s0y s GLU 45 CO -0.12 0.66 0.01 0.41 0.02 0.00 0.00 175.26 176.23 1s0y n GLY 46 N 1.60 4.00 3.92 -1.39 0.00 -0.41 -4.83 105.19 108.09 1s0y n GLY 46 Ca -0.16 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 1s0y n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s0y s SER 47 N -1.06 6.36 0.27 1.61 0.15 -1.26 0.63 113.70 120.39 1s0y s SER 47 Ca 0.01 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1s0y s SER 47 Cb 0.00 -2.09 0.58 0.00 -1.71 0.00 0.00 66.02 62.81 1s0y s SER 47 CO 0.01 -0.25 1.74 1.23 1.20 0.00 0.00 173.24 177.16 1s0y h GLY 48 N 1.19 1.41 1.77 9.45 0.00 -1.78 0.09 103.07 115.19 1s0y h GLY 48 Ca -0.49 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 46.64 1s0y h GLY 48 CO 0.64 -0.11 0.10 1.19 0.00 0.00 0.00 176.54 178.36 1s0y h ILE 49 N 0.55 0.36 0.00 2.60 6.09 -1.81 -1.28 117.51 124.01 1s0y h ILE 49 Ca 0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.98 1s0y h ILE 49 Cb 0.77 0.92 0.00 0.00 0.47 0.00 0.00 36.82 38.98 1s0y h ILE 49 CO -0.41 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.26 1s0y n ASN 50 N -3.60 0.36 -4.44 2.19 4.13 0.02 -4.74 115.26 109.18 1s0y n ASN 50 Ca -0.01 0.54 -0.34 0.00 1.68 0.00 0.00 54.58 56.45 1s0y n ASN 50 Cb 0.19 -0.64 -0.13 0.00 -1.54 0.00 0.00 39.78 37.66 1s0y n ASN 50 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1s0y s PHE 51 N -3.07 3.00 -0.25 3.10 0.40 -0.49 -5.02 117.98 115.65 1s0y s PHE 51 Ca 0.11 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1s0y s PHE 51 Cb 0.15 -2.02 0.06 0.00 0.51 0.00 0.00 43.02 41.72 1s0y s PHE 51 CO 0.51 -0.20 -0.07 0.08 0.70 0.00 0.00 175.22 176.24 1s0y s VAL 52 N 0.76 1.82 -0.30 -0.44 1.01 -1.26 -1.39 120.40 120.59 1s0y s VAL 52 Ca -0.01 -1.45 -0.15 0.00 0.00 0.00 0.00 61.98 60.37 1s0y s VAL 52 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1s0y s VAL 52 CO 0.02 -0.10 0.35 -1.61 0.00 0.00 0.00 175.10 173.76 1s0y s GLU 53 N 1.25 3.80 -1.45 2.72 0.41 -0.27 -4.49 118.70 120.68 1s0y s GLU 53 Ca -0.06 -0.20 -0.03 0.00 -0.41 0.00 0.00 54.97 54.26 1s0y s GLU 53 Cb -0.19 -3.73 0.00 0.00 -1.78 0.00 0.00 34.13 28.43 1s0y s GLU 53 CO -0.06 -0.39 0.26 -2.39 -0.49 0.00 0.00 175.26 172.19 1s0y n HIS 54 N 5.34 -1.46 0.00 1.61 1.44 -1.26 -0.92 115.22 119.98 1s0y n HIS 54 Ca -0.09 0.62 0.00 0.00 -2.01 0.00 0.00 57.72 56.24 1s0y n HIS 54 Cb 0.50 -3.22 0.00 0.00 0.12 0.00 0.00 29.99 27.39 1s0y n HIS 54 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1s0y n GLY 55 N -2.26 2.86 3.64 -1.39 0.00 -1.26 -5.00 105.19 101.78 1s0y n GLY 55 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1s0y n GLY 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s0y s GLU 56 N -0.08 4.01 0.11 1.61 4.04 -0.09 -5.06 118.70 123.24 1s0y s GLU 56 Ca 0.00 -0.31 -0.30 0.00 0.04 0.00 0.00 54.97 54.40 1s0y s GLU 56 Cb 0.00 -3.36 -0.06 0.00 0.02 0.00 0.00 34.13 30.73 1s0y s GLU 56 CO 0.00 0.17 1.03 -1.01 -1.84 0.00 0.00 175.26 173.61 1s0y s HIS 57 N 0.70 3.68 0.53 4.83 0.09 -1.26 -1.11 115.29 122.75 1s0y s HIS 57 Ca 0.06 1.67 -0.18 0.00 -0.00 0.00 0.00 55.06 56.60 1s0y s HIS 57 Cb -0.13 -3.17 -0.07 0.00 -0.00 0.00 0.00 32.58 29.21 1s0y s HIS 57 CO 0.02 -0.24 1.04 -0.51 -0.00 0.00 0.00 174.74 175.05 1s0y s LEU 58 N 0.17 3.71 0.50 0.89 1.43 -0.49 -4.92 118.68 119.98 1s0y s LEU 58 Ca 0.50 1.87 -0.04 0.00 -1.03 0.00 0.00 54.13 55.43 1s0y s LEU 58 Cb -0.25 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.40 1s0y s LEU 58 CO 0.31 -0.91 0.79 -2.16 0.23 0.00 0.00 176.35 174.61 1s0y s PRO 59 N -3.58 3.26 0.63 1.29 0.04 -1.26 -2.59 135.00 132.79 1s0y s PRO 59 Ca 0.66 -0.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.52 1s0y s PRO 59 Cb -0.16 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 1s0y s PRO 59 CO 0.27 -0.36 0.52 -0.25 0.04 0.00 0.00 177.00 177.22 1s0y n ASP 60 N -2.31 -1.09 -4.72 6.66 10.43 -1.26 -4.47 116.55 119.79 1s0y n ASP 60 Ca 0.02 0.68 -0.39 0.00 2.57 0.00 0.00 54.79 57.67 1s0y n ASP 60 Cb 0.56 -1.19 -0.05 0.00 1.84 0.00 0.00 41.12 42.28 1s0y n ASP 60 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1s0y s TYR 61 N -1.78 3.57 -0.20 1.24 5.04 -1.26 -4.92 117.35 119.03 1s0y s TYR 61 Ca 0.68 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 1s0y s TYR 61 Cb -0.41 -2.69 0.05 0.00 0.35 0.00 0.00 41.96 39.26 1s0y s TYR 61 CO 0.55 0.15 -0.07 0.08 -1.34 0.00 0.00 175.55 174.92 1s0y s VAL 62 N 0.63 1.42 -1.20 3.14 1.01 -1.26 -4.72 120.40 119.41 1s0y s VAL 62 Ca 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1s0y s VAL 62 Cb -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1s0y s VAL 62 CO 0.15 0.06 0.30 -0.81 0.00 0.00 0.00 175.10 174.80