#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 2.17 -0.04 0.54 -1.94 -1.26 -0.95 119.30 117.83 1s0y s MET 3 Ca 0.00 -0.61 0.07 0.00 -1.71 0.00 0.00 55.69 53.43 1s0y s MET 3 Cb 0.00 -1.74 -0.01 0.00 2.01 0.00 0.00 34.83 35.09 1s0y s MET 3 CO 0.00 0.13 -0.24 0.42 -0.01 0.00 0.00 175.02 175.32 1s0y s ILE 4 N 0.42 1.94 0.15 2.53 1.09 0.15 -4.97 121.20 122.51 1s0y s ILE 4 Ca -0.14 -1.02 0.09 0.00 -1.10 0.00 0.00 60.65 58.48 1s0y s ILE 4 Cb -0.16 -1.63 -0.04 0.00 -1.06 0.00 0.00 42.46 39.57 1s0y s ILE 4 CO 0.05 0.54 -0.21 -0.94 -0.10 0.00 0.00 174.94 174.29 1s0y s SER 5 N -0.31 2.84 -0.22 3.58 1.04 -1.26 0.06 113.70 119.43 1s0y s SER 5 Ca 0.02 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 1s0y s SER 5 Cb -0.12 -0.18 0.09 0.00 0.10 0.00 0.00 66.02 65.91 1s0y s SER 5 CO 0.02 0.04 0.15 0.00 0.98 0.00 0.00 173.24 174.43 1s0y s ASP 7 N 2.20 6.73 0.17 0.00 1.01 -1.26 -0.20 116.67 125.32 1s0y s ASP 7 Ca 0.06 0.88 -0.22 0.00 0.71 0.00 0.00 52.55 53.99 1s0y s ASP 7 Cb -0.16 -2.36 0.06 0.00 1.01 0.00 0.00 42.92 41.47 1s0y s ASP 7 CO -0.19 -0.28 0.59 0.00 0.21 0.00 0.00 175.17 175.49 1s0y s MET 8 N 1.90 1.33 0.63 8.23 0.23 -0.30 -4.96 119.30 126.36 1s0y s MET 8 Ca 0.30 -0.59 -0.19 0.00 -1.03 0.00 0.00 55.69 54.18 1s0y s MET 8 Cb -0.16 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1s0y s MET 8 CO 0.11 -0.58 1.30 0.54 -2.03 0.00 0.00 175.02 174.36 1s0y n ARG 9 N -0.37 1.20 -1.73 3.16 1.74 -1.26 -2.73 116.66 116.68 1s0y n ARG 9 Ca -0.15 0.47 -0.33 0.00 -0.77 0.00 0.00 57.85 57.07 1s0y n ARG 9 Cb 0.64 -2.54 0.05 0.00 -1.02 0.00 0.00 32.46 29.59 1s0y n ARG 9 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1s0y s TYR 10 N -1.37 2.61 0.00 -1.55 6.14 0.27 -4.34 117.35 119.11 1s0y s TYR 10 Ca 0.81 1.55 0.00 0.00 0.64 0.00 0.00 57.07 60.07 1s0y s TYR 10 Cb -0.39 -3.17 0.00 0.00 0.42 0.00 0.00 41.96 38.83 1s0y s TYR 10 CO 0.42 -1.70 0.00 0.41 0.64 0.00 0.00 175.55 175.31 1s0y n GLY 11 N -0.55 1.19 3.68 8.97 0.00 -1.26 -4.39 105.19 112.83 1s0y n GLY 11 Ca 0.10 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1s0y n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s0y n ARG 12 N 0.00 1.82 -2.14 1.61 3.00 -1.26 -4.96 116.66 114.72 1s0y n ARG 12 Ca 0.00 0.65 -0.28 0.00 -0.01 0.00 0.00 57.85 58.21 1s0y n ARG 12 Cb 0.00 -2.31 0.04 0.00 0.00 0.00 0.00 32.46 30.19 1s0y n ARG 12 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1s0y s THR 13 N -1.21 3.37 0.24 0.55 -4.23 -1.26 -4.88 115.64 108.23 1s0y s THR 13 Ca 0.61 0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 61.24 1s0y s THR 13 Cb -0.52 -3.40 0.22 0.00 1.34 0.00 0.00 72.50 70.14 1s0y s THR 13 CO 0.58 -0.47 1.87 0.44 -0.54 0.00 0.00 174.62 176.50 1s0y h ASP 14 N -0.46 0.92 -0.33 3.99 3.45 -1.99 0.12 116.42 122.12 1s0y h ASP 14 Ca -0.45 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.03 1s0y h ASP 14 Cb 1.26 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.81 1s0y h ASP 14 CO 0.62 0.62 0.18 -0.33 -1.57 0.00 0.00 179.24 178.76 1s0y h GLU 15 N 1.07 0.37 -0.64 3.56 5.08 -2.00 -1.64 114.58 120.38 1s0y h GLU 15 Ca 0.36 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1s0y h GLU 15 Cb 0.06 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1s0y h GLU 15 CO -0.14 0.24 0.36 1.96 -1.00 0.00 0.00 179.01 180.43 1s0y h GLN 16 N 0.38 0.88 -0.84 2.33 4.20 -1.68 -1.94 115.11 118.44 1s0y h GLN 16 Ca 0.14 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1s0y h GLN 16 Cb 0.02 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 1s0y h GLN 16 CO -0.08 0.66 0.41 0.87 -0.67 0.00 0.00 178.83 180.02 1s0y h LYS 17 N 0.87 1.20 0.00 1.46 1.57 -0.48 -0.47 116.57 120.72 1s0y h LYS 17 Ca 0.23 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1s0y h LYS 17 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1s0y h LYS 17 CO -0.04 0.92 -0.44 0.07 -0.57 0.00 0.00 179.45 179.39 1s0y h ARG 18 N 1.19 0.00 -0.16 3.15 0.11 -1.18 -0.86 114.38 116.63 1s0y h ARG 18 Ca 0.29 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.23 1s0y h ARG 18 Cb 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1s0y h ARG 18 CO -0.04 0.44 -0.49 0.00 0.10 0.00 0.00 179.97 179.99 1s0y h ALA 19 N 1.56 0.85 0.41 0.08 0.00 -0.99 -1.55 119.26 119.62 1s0y h ALA 19 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1s0y h ALA 19 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1s0y h ALA 19 CO 0.06 0.66 -0.20 1.25 0.00 0.00 0.00 179.25 181.03 1s0y h LEU 20 N 0.34 -0.46 -0.64 0.00 6.46 -0.75 -2.02 115.31 118.24 1s0y h LEU 20 Ca 0.02 -0.12 0.08 0.00 -0.12 0.00 0.00 57.88 57.74 1s0y h LEU 20 Cb 0.98 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 1s0y h LEU 20 CO 0.09 -0.07 0.31 0.77 -0.62 0.00 0.00 178.44 178.91 1s0y h SER 21 N -0.94 0.40 -0.86 1.25 4.64 -1.17 0.32 113.55 117.20 1s0y h SER 21 Ca -0.06 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 1s0y h SER 21 Cb 0.55 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 1s0y h SER 21 CO 0.09 0.25 0.55 0.00 -0.87 0.00 0.00 176.83 176.85 1s0y h ALA 22 N 1.38 1.13 0.15 5.18 0.00 -1.30 0.15 119.26 125.95 1s0y h ALA 22 Ca 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1s0y h ALA 22 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1s0y h ALA 22 CO -0.24 0.38 -0.07 0.78 0.00 0.00 0.00 179.25 180.10 1s0y h GLY 23 N 1.06 -0.21 0.92 0.00 0.00 -0.49 -1.99 103.07 102.38 1s0y h GLY 23 Ca 0.34 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.77 1s0y h GLY 23 CO -0.12 -0.08 0.34 1.41 0.00 0.00 0.00 176.54 178.09 1s0y h LEU 24 N -0.55 0.57 -1.42 3.11 4.07 -0.79 -1.48 115.31 118.82 1s0y h LEU 24 Ca -0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1s0y h LEU 24 Cb 0.42 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1s0y h LEU 24 CO 0.03 0.40 0.29 -0.07 -1.08 0.00 0.00 178.44 178.01 1s0y h LEU 25 N 0.68 0.60 0.07 1.67 4.07 -0.72 0.03 115.31 121.71 1s0y h LEU 25 Ca 0.21 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 1s0y h LEU 25 Cb -0.02 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.57 1s0y h LEU 25 CO -0.08 0.48 -0.03 -0.09 -1.08 0.00 0.00 178.44 177.64 1s0y h ARG 26 N 0.69 -0.09 0.00 1.13 2.43 -0.58 -1.17 114.38 116.80 1s0y h ARG 26 Ca 0.18 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1s0y h ARG 26 Cb -0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1s0y h ARG 26 CO -0.03 0.33 -0.31 -0.39 -1.51 0.00 0.00 179.97 178.05 1s0y h VAL 27 N -0.52 1.04 -0.20 0.20 -1.51 -1.10 -0.96 116.25 113.20 1s0y h VAL 27 Ca -0.01 -1.14 -0.09 0.00 -1.23 0.00 0.00 66.70 64.23 1s0y h VAL 27 Cb 0.45 1.65 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1s0y h VAL 27 CO 0.01 0.31 -0.24 0.40 -1.23 0.00 0.00 177.57 176.82 1s0y h ILE 28 N 0.00 1.33 -0.09 7.19 1.08 -0.96 -2.40 117.51 123.66 1s0y h ILE 28 Ca -0.00 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1s0y h ILE 28 Cb 0.62 1.79 -0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1s0y h ILE 28 CO 0.04 0.44 0.05 0.28 -0.69 0.00 0.00 178.15 178.27 1s0y h SER 29 N 0.19 0.11 0.29 1.72 0.02 -0.71 -0.02 113.55 115.15 1s0y h SER 29 Ca 0.03 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1s0y h SER 29 Cb 0.81 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 1s0y h SER 29 CO 0.06 0.13 -0.13 1.05 -1.14 0.00 0.00 176.83 176.80 1s0y h GLU 30 N 0.08 0.00 0.04 3.45 4.11 -1.22 0.47 114.58 121.51 1s0y h GLU 30 Ca 0.03 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.20 1s0y h GLU 30 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1s0y h GLU 30 CO -0.01 0.13 -1.37 0.00 0.07 0.00 0.00 179.01 177.84 1s0y h ALA 31 N 1.87 0.43 0.00 1.06 0.00 -1.05 -3.39 119.26 118.18 1s0y h ALA 31 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1s0y h ALA 31 Cb 0.31 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1s0y h ALA 31 CO 0.02 1.30 -1.06 0.25 0.00 0.00 0.00 179.25 179.75 1s0y n THR 32 N -3.31 0.00 -0.21 0.00 -2.24 -0.05 -4.99 114.28 103.48 1s0y n THR 32 Ca -0.10 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1s0y n THR 32 Cb 1.01 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 1.50 2.43 3.76 3.38 0.00 0.16 -5.01 105.19 111.41 1s0y n GLY 33 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.05 4.57 0.64 1.61 2.56 -1.25 -5.02 118.70 121.76 1s0y s GLU 34 Ca 0.00 1.81 -0.11 0.00 0.00 0.00 0.00 54.97 56.67 1s0y s GLU 34 Cb 0.00 -3.11 -0.02 0.00 2.00 0.00 0.00 34.13 32.99 1s0y s GLU 34 CO 0.00 0.14 1.04 -1.25 -0.56 0.00 0.00 175.26 174.63 1s0y s PRO 35 N -1.58 3.38 0.56 4.30 0.04 -1.26 -4.34 135.00 136.10 1s0y s PRO 35 Ca 0.46 0.64 0.25 0.00 0.04 0.00 0.00 61.00 62.39 1s0y s PRO 35 Cb -0.32 -2.08 1.49 0.00 0.04 0.00 0.00 34.50 33.64 1s0y s PRO 35 CO 0.41 -0.69 2.06 0.07 0.04 0.00 0.00 177.00 178.89 1s0y h ARG 36 N -0.39 0.00 0.00 4.56 -0.00 -1.95 -0.43 114.38 116.17 1s0y h ARG 36 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.53 1s0y h ARG 36 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.18 1s0y h ARG 36 CO 0.62 0.00 -0.05 0.93 -0.00 0.00 0.00 179.97 181.47 1s0y h GLU 37 N 0.00 0.00 -0.41 0.08 4.39 -2.02 -2.71 114.58 113.92 1s0y h GLU 37 Ca 0.14 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 1s0y h GLU 37 Cb 0.63 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1s0y h GLU 37 CO -0.00 0.05 0.03 0.09 -1.16 0.00 0.00 179.01 178.02 1s0y n ASN 38 N -3.26 4.42 -4.15 1.42 3.02 -0.17 -4.94 115.26 111.60 1s0y n ASN 38 Ca -0.01 -3.07 -0.31 0.00 -0.03 0.00 0.00 54.58 51.16 1s0y n ASN 38 Cb 0.24 -0.61 -0.17 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.86 1.87 -0.03 2.41 1.01 -1.02 -2.70 121.20 119.88 1s0y s ILE 39 Ca 0.47 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1s0y s ILE 39 Cb 0.38 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1s0y s ILE 39 CO 0.11 0.52 -0.13 0.12 0.00 0.00 0.00 174.94 175.55 1s0y s PHE 40 N 0.69 2.73 -0.01 3.97 5.36 -0.12 -5.01 117.98 125.59 1s0y s PHE 40 Ca -0.11 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 1s0y s PHE 40 Cb -0.16 -1.61 0.01 0.00 -0.34 0.00 0.00 43.02 40.92 1s0y s PHE 40 CO 0.02 0.24 -0.00 0.12 -1.46 0.00 0.00 175.22 174.15 1s0y s PHE 41 N -0.82 0.14 -0.03 10.12 5.36 -1.26 0.31 117.98 131.81 1s0y s PHE 41 Ca 0.13 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.13 1s0y s PHE 41 Cb -0.11 -0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.40 1s0y s PHE 41 CO 0.03 -0.05 -0.05 0.54 -1.46 0.00 0.00 175.22 174.23 1s0y s VAL 42 N 0.45 0.50 -0.17 3.12 0.11 0.11 -4.96 120.40 119.56 1s0y s VAL 42 Ca -0.04 -0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 58.76 1s0y s VAL 42 Cb -0.06 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 1s0y s VAL 42 CO -0.01 0.19 0.10 -0.63 -3.33 0.00 0.00 175.10 171.42 1s0y s ILE 43 N 0.47 5.16 -0.19 7.04 1.01 -1.26 -0.20 121.20 133.23 1s0y s ILE 43 Ca -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1s0y s ILE 43 Cb -0.10 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1s0y s ILE 43 CO -0.00 0.50 -0.14 -0.13 0.00 0.00 0.00 174.94 175.17 1s0y s ARG 44 N -0.04 3.16 0.08 2.79 0.52 0.72 -4.90 118.95 121.27 1s0y s ARG 44 Ca 0.08 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.57 1s0y s ARG 44 Cb -0.12 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 1s0y s ARG 44 CO 0.00 -0.16 0.07 -1.21 0.02 0.00 0.00 175.30 174.03 1s0y s GLU 45 N 1.24 2.87 0.24 3.54 2.02 -1.26 -1.16 118.70 126.20 1s0y s GLU 45 Ca 0.03 -0.69 -0.16 0.00 0.02 0.00 0.00 54.97 54.17 1s0y s GLU 45 Cb -0.14 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.38 1s0y s GLU 45 CO -0.07 0.57 0.56 0.20 0.02 0.00 0.00 175.26 176.54 1s0y s GLY 46 N -2.34 0.20 0.52 -1.39 0.00 -1.10 -4.86 107.32 98.34 1s0y s GLY 46 Ca 0.29 -0.55 -0.17 0.00 0.00 0.00 0.00 44.72 44.29 1s0y s GLY 46 CO 0.21 -0.38 1.00 -0.45 0.00 0.00 0.00 173.10 173.48 1s0y s SER 47 N -2.95 6.45 0.41 1.64 0.15 -1.26 -0.57 113.70 117.57 1s0y s SER 47 Ca 0.16 1.65 0.23 0.00 0.70 0.00 0.00 55.95 58.68 1s0y s SER 47 Cb -0.02 -2.52 1.23 0.00 -1.71 0.00 0.00 66.02 62.99 1s0y s SER 47 CO 0.05 -0.71 1.72 1.23 1.20 0.00 0.00 173.24 176.74 1s0y h GLY 48 N 0.91 1.24 2.00 9.45 0.00 -1.79 0.24 103.07 115.11 1s0y h GLY 48 Ca -0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1s0y h GLY 48 CO 0.60 -0.23 -0.03 1.19 0.00 0.00 0.00 176.54 178.07 1s0y h ILE 49 N 0.27 0.18 -0.02 2.60 6.09 -1.85 -1.54 117.51 123.25 1s0y h ILE 49 Ca 0.67 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.90 1s0y h ILE 49 Cb 1.89 1.21 0.00 0.00 0.47 0.00 0.00 36.82 40.40 1s0y h ILE 49 CO -0.34 0.03 0.00 0.59 -3.07 0.00 0.00 178.15 175.36 1s0y n ASN 50 N -3.28 0.81 -4.27 2.19 3.02 0.85 -4.79 115.26 109.80 1s0y n ASN 50 Ca -0.02 -1.31 -0.33 0.00 -0.03 0.00 0.00 54.58 52.89 1s0y n ASN 50 Cb 0.17 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.18 1s0y n ASN 50 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1s0y s PHE 51 N -1.98 2.82 -0.18 3.10 0.40 -0.59 -5.02 117.98 116.52 1s0y s PHE 51 Ca 0.41 -1.04 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1s0y s PHE 51 Cb 0.21 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.83 1s0y s PHE 51 CO 0.34 -0.49 -0.18 0.08 0.70 0.00 0.00 175.22 175.66 1s0y s VAL 52 N 0.93 2.21 -0.03 -0.44 1.01 -1.26 -0.85 120.40 121.97 1s0y s VAL 52 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1s0y s VAL 52 Cb -0.15 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1s0y s VAL 52 CO -0.01 0.53 -0.13 -1.61 0.00 0.00 0.00 175.10 173.88 1s0y s GLU 53 N 1.23 1.27 -1.40 2.72 2.02 -0.53 -4.79 118.70 119.22 1s0y s GLU 53 Ca 0.03 -0.45 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 1s0y s GLU 53 Cb -0.14 -1.16 0.03 0.00 0.10 0.00 0.00 34.13 32.97 1s0y s GLU 53 CO -0.10 0.20 0.79 0.72 0.02 0.00 0.00 175.26 176.88 1s0y n HIS 54 N 3.12 -2.04 -2.19 1.61 8.25 -1.26 -1.29 115.22 121.42 1s0y n HIS 54 Ca -0.17 0.86 -0.19 0.00 -0.26 0.00 0.00 57.72 57.95 1s0y n HIS 54 Cb 0.54 -4.18 -0.03 0.00 1.12 0.00 0.00 29.99 27.45 1s0y n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s0y n GLY 55 N -1.65 0.11 3.11 -1.41 0.00 -1.26 -4.97 105.19 99.12 1s0y n GLY 55 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1s0y n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s0y s GLU 56 N -4.68 0.26 0.58 1.61 0.41 -0.41 -5.14 118.70 111.32 1s0y s GLU 56 Ca 0.00 0.56 -0.20 0.00 -0.41 0.00 0.00 54.97 54.92 1s0y s GLU 56 Cb 0.00 -0.06 -0.04 0.00 -1.78 0.00 0.00 34.13 32.25 1s0y s GLU 56 CO 0.00 -0.14 1.24 -1.01 -0.49 0.00 0.00 175.26 174.85 1s0y s HIS 57 N 1.12 2.39 0.25 1.61 3.76 -1.26 -1.46 115.29 121.71 1s0y s HIS 57 Ca -0.08 1.49 -0.04 0.00 -0.15 0.00 0.00 55.06 56.28 1s0y s HIS 57 Cb -0.09 -3.55 -0.05 0.00 1.11 0.00 0.00 32.58 30.01 1s0y s HIS 57 CO -0.08 -2.32 0.49 -0.51 -0.85 0.00 0.00 174.74 171.47 1s0y s LEU 58 N -3.89 4.13 0.96 0.89 1.43 -0.03 -4.89 118.68 117.28 1s0y s LEU 58 Ca 0.76 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 1s0y s LEU 58 Cb -0.33 -3.42 0.17 0.00 0.03 0.00 0.00 46.19 42.65 1s0y s LEU 58 CO 0.36 -0.12 1.19 -2.16 0.23 0.00 0.00 176.35 175.85 1s0y s PRO 59 N -3.37 0.68 0.17 1.29 0.04 -1.26 -3.43 135.00 129.11 1s0y s PRO 59 Ca 0.42 0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 1s0y s PRO 59 Cb -0.11 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1s0y s PRO 59 CO 0.29 -2.46 1.14 -0.51 0.04 0.00 0.00 177.00 175.50 1s0y s ASP 60 N -4.31 7.19 0.36 6.66 -0.00 -1.26 -4.39 116.67 120.93 1s0y s ASP 60 Ca 0.68 2.12 -0.25 0.00 -0.00 0.00 0.00 52.55 55.09 1s0y s ASP 60 Cb -0.10 -2.60 -0.13 0.00 -0.00 0.00 0.00 42.92 40.09 1s0y s ASP 60 CO 0.53 -0.29 0.87 0.00 -0.00 0.00 0.00 175.17 176.28 1s0y n TYR 61 N 2.59 0.70 0.96 4.23 9.36 -1.26 -4.98 117.16 128.75 1s0y n TYR 61 Ca 0.04 0.65 0.12 0.00 3.32 0.00 0.00 57.90 62.02 1s0y n TYR 61 Cb 0.46 -2.16 0.10 0.00 -0.63 0.00 0.00 39.34 37.10 1s0y n TYR 61 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36