#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 2.38 0.03 -0.52 -1.94 -1.26 0.54 119.30 118.54 1s0y s MET 3 Ca 0.00 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.13 1s0y s MET 3 Cb 0.00 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.74 1s0y s MET 3 CO 0.00 0.41 -0.12 0.42 -0.01 0.00 0.00 175.02 175.72 1s0y s ILE 4 N -0.25 0.93 0.01 2.53 -1.09 0.81 -4.94 121.20 119.20 1s0y s ILE 4 Ca -0.00 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1s0y s ILE 4 Cb -0.13 -0.86 -0.01 0.00 -1.58 0.00 0.00 42.46 39.89 1s0y s ILE 4 CO 0.02 -0.05 -0.03 -0.94 -1.23 0.00 0.00 174.94 172.72 1s0y s SER 5 N -1.10 0.28 -0.22 3.58 1.04 -1.26 -1.44 113.70 114.59 1s0y s SER 5 Ca -0.00 -0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 1s0y s SER 5 Cb -0.08 -0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.10 1s0y s SER 5 CO 0.01 -0.04 -0.01 0.00 0.98 0.00 0.00 173.24 174.18 1s0y s ASP 7 N 1.61 6.39 0.19 0.00 1.01 -1.26 0.03 116.67 124.64 1s0y s ASP 7 Ca -0.04 0.09 0.05 0.00 0.71 0.00 0.00 52.55 53.36 1s0y s ASP 7 Cb -0.18 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 1s0y s ASP 7 CO -0.07 -0.55 -0.07 -0.04 0.21 0.00 0.00 175.17 174.65 1s0y s MET 8 N 2.59 1.22 0.59 8.23 -1.94 0.89 -4.95 119.30 125.93 1s0y s MET 8 Ca 0.22 -1.57 -0.17 0.00 -1.71 0.00 0.00 55.69 52.46 1s0y s MET 8 Cb -0.15 -0.72 -0.04 0.00 2.01 0.00 0.00 34.83 35.93 1s0y s MET 8 CO 0.14 0.03 1.09 1.03 -0.01 0.00 0.00 175.02 177.30 1s0y s ARG 9 N -3.77 3.23 0.59 2.03 0.52 -1.26 -2.35 118.95 117.94 1s0y s ARG 9 Ca 0.22 1.39 -0.17 0.00 -0.52 0.00 0.00 55.73 56.65 1s0y s ARG 9 Cb 0.03 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 1s0y s ARG 9 CO 0.05 -0.90 1.09 -0.47 0.02 0.00 0.00 175.30 175.08 1s0y s TYR 10 N -2.18 2.81 0.00 -0.53 6.14 -0.02 -4.44 117.35 119.13 1s0y s TYR 10 Ca 0.67 1.54 0.00 0.00 0.64 0.00 0.00 57.07 59.92 1s0y s TYR 10 Cb -0.19 -3.13 0.00 0.00 0.42 0.00 0.00 41.96 39.06 1s0y s TYR 10 CO 0.33 -1.35 0.00 0.41 0.64 0.00 0.00 175.55 175.59 1s0y n GLY 11 N -0.50 1.37 3.76 8.97 0.00 -1.26 -4.28 105.19 113.26 1s0y n GLY 11 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 3.60 0.68 1.61 3.00 -1.26 -5.00 118.95 121.57 1s0y s ARG 12 Ca 0.00 1.99 -0.11 0.00 0.00 0.00 0.00 55.73 57.61 1s0y s ARG 12 Cb 0.00 -2.42 -0.00 0.00 0.00 0.00 0.00 34.95 32.52 1s0y s ARG 12 CO 0.00 -0.74 1.06 0.95 0.00 0.00 0.00 175.30 176.56 1s0y s THR 13 N -1.42 4.11 0.43 0.02 -4.23 -1.26 -4.90 115.64 108.39 1s0y s THR 13 Ca 0.65 0.69 0.10 0.00 -1.18 0.00 0.00 61.69 61.94 1s0y s THR 13 Cb -0.34 -3.57 0.28 0.00 1.34 0.00 0.00 72.50 70.21 1s0y s THR 13 CO 0.41 -0.90 2.06 0.44 -0.54 0.00 0.00 174.62 176.10 1s0y h ASP 14 N -0.59 0.37 -0.30 3.99 3.45 -1.99 -1.90 116.42 119.45 1s0y h ASP 14 Ca -0.44 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 56.97 1s0y h ASP 14 Cb 1.22 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 1s0y h ASP 14 CO 0.60 0.26 0.02 -0.33 -1.57 0.00 0.00 179.24 178.22 1s0y h GLU 15 N 0.44 0.52 -0.60 3.56 4.39 -2.00 -2.54 114.58 118.35 1s0y h GLU 15 Ca 0.15 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1s0y h GLU 15 Cb 0.06 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1s0y h GLU 15 CO -0.03 0.65 0.34 1.96 -1.16 0.00 0.00 179.01 180.76 1s0y h GLN 16 N 0.32 0.83 -0.01 2.33 4.20 -1.78 -2.04 115.11 118.97 1s0y h GLN 16 Ca 0.09 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1s0y h GLN 16 Cb 0.40 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1s0y h GLN 16 CO 0.01 0.62 -0.10 0.87 -0.67 0.00 0.00 178.83 179.56 1s0y h LYS 17 N 0.81 0.01 0.00 1.46 1.57 -1.22 0.57 116.57 119.76 1s0y h LYS 17 Ca 0.21 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1s0y h LYS 17 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1s0y h LYS 17 CO -0.04 0.11 -0.59 0.07 -0.57 0.00 0.00 179.45 178.43 1s0y h ARG 18 N 0.01 0.00 0.00 3.15 0.11 -1.10 -1.50 114.38 115.05 1s0y h ARG 18 Ca 0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 1s0y h ARG 18 Cb 0.19 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.24 1s0y h ARG 18 CO 0.01 0.00 -0.77 0.00 0.10 0.00 0.00 179.97 179.32 1s0y h ALA 19 N 2.10 0.56 -0.03 0.08 0.00 -0.59 -1.84 119.26 119.53 1s0y h ALA 19 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1s0y h ALA 19 Cb 0.95 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1s0y h ALA 19 CO 0.00 0.96 -0.10 1.25 0.00 0.00 0.00 179.25 181.36 1s0y h LEU 20 N 0.00 0.15 -0.81 0.00 6.46 -0.80 -1.64 115.31 118.68 1s0y h LEU 20 Ca -0.01 -0.61 -0.06 0.00 -0.12 0.00 0.00 57.88 57.08 1s0y h LEU 20 Cb 1.52 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.38 1s0y h LEU 20 CO 0.10 0.73 0.18 0.77 -0.62 0.00 0.00 178.44 179.61 1s0y h SER 21 N -0.43 1.01 -0.47 1.25 4.64 -1.27 0.18 113.55 118.46 1s0y h SER 21 Ca -0.00 -0.20 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 1s0y h SER 21 Cb 0.72 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1s0y h SER 21 CO 0.02 0.96 -0.21 0.00 -0.87 0.00 0.00 176.83 176.74 1s0y h ALA 22 N 1.16 0.66 -0.40 5.18 0.00 -1.39 0.72 119.26 125.19 1s0y h ALA 22 Ca 0.22 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1s0y h ALA 22 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1s0y h ALA 22 CO -0.00 0.65 0.03 0.78 0.00 0.00 0.00 179.25 180.71 1s0y h GLY 23 N 0.83 0.74 1.14 0.00 0.00 -0.92 -2.21 103.07 102.66 1s0y h GLY 23 Ca 0.11 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.72 1s0y h GLY 23 CO 0.06 0.48 -0.62 1.41 0.00 0.00 0.00 176.54 177.88 1s0y h LEU 24 N 0.53 0.96 -0.66 3.11 4.07 -0.56 -2.90 115.31 119.86 1s0y h LEU 24 Ca 0.12 -0.57 -0.06 0.00 0.08 0.00 0.00 57.88 57.46 1s0y h LEU 24 Cb 0.42 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1s0y h LEU 24 CO 0.01 1.35 0.19 -0.07 -1.08 0.00 0.00 178.44 178.85 1s0y h LEU 25 N 0.61 0.97 0.67 1.67 4.07 -0.87 -1.99 115.31 120.44 1s0y h LEU 25 Ca -0.01 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 1s0y h LEU 25 Cb 1.24 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1s0y h LEU 25 CO 0.13 0.93 -0.46 -0.09 -1.08 0.00 0.00 178.44 177.88 1s0y h ARG 26 N 0.97 -1.03 -0.45 1.13 2.43 -1.38 0.75 114.38 116.79 1s0y h ARG 26 Ca 0.21 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1s0y h ARG 26 Cb 0.32 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1s0y h ARG 26 CO -0.00 -0.69 0.26 -0.39 -1.51 0.00 0.00 179.97 177.64 1s0y h VAL 27 N -1.07 1.15 -0.55 0.20 -1.51 -1.51 -1.15 116.25 111.82 1s0y h VAL 27 Ca -0.08 -0.37 -0.04 0.00 -1.23 0.00 0.00 66.70 64.97 1s0y h VAL 27 Cb 0.88 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 30.59 1s0y h VAL 27 CO 0.06 0.16 0.17 0.40 -1.23 0.00 0.00 177.57 177.12 1s0y h ILE 28 N 0.60 1.22 -0.17 7.19 5.03 -1.34 -1.39 117.51 128.65 1s0y h ILE 28 Ca 0.16 -0.74 -0.00 0.00 -0.12 0.00 0.00 64.86 64.15 1s0y h ILE 28 Cb 0.02 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 34.42 1s0y h ILE 28 CO -0.03 0.28 0.09 -1.28 -0.68 0.00 0.00 178.15 176.53 1s0y h SER 29 N 0.80 0.22 -0.34 1.72 0.87 -0.34 0.65 113.55 117.13 1s0y h SER 29 Ca 0.18 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1s0y h SER 29 Cb 0.24 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1s0y h SER 29 CO -0.01 0.26 0.08 -0.33 -0.53 0.00 0.00 176.83 176.30 1s0y h GLU 30 N 0.17 0.56 -0.05 2.24 5.08 -0.96 0.31 114.58 121.92 1s0y h GLU 30 Ca 0.06 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1s0y h GLU 30 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1s0y h GLU 30 CO -0.01 0.62 -0.47 0.00 -1.00 0.00 0.00 179.01 178.15 1s0y h ALA 31 N 0.92 1.13 0.00 3.43 0.00 -1.21 -3.28 119.26 120.25 1s0y h ALA 31 Ca 0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1s0y h ALA 31 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1s0y h ALA 31 CO 0.00 0.61 -1.50 2.41 0.00 0.00 0.00 179.25 180.77 1s0y n THR 32 N -3.98 0.66 -0.88 0.00 -1.04 0.21 -4.94 114.28 104.32 1s0y n THR 32 Ca -0.02 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1s0y n THR 32 Cb 0.50 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1s0y n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s0y n GLY 33 N 1.31 1.15 3.73 3.41 0.00 0.11 -4.98 105.19 109.91 1s0y n GLY 33 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.04 4.44 0.57 1.61 2.56 -1.16 -5.02 118.70 121.66 1s0y s GLU 34 Ca 0.00 0.94 -0.19 0.00 0.00 0.00 0.00 54.97 55.71 1s0y s GLU 34 Cb 0.00 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.68 1s0y s GLU 34 CO 0.00 0.17 1.19 -1.25 -0.56 0.00 0.00 175.26 174.81 1s0y s PRO 35 N 0.41 3.12 0.41 4.30 0.04 -1.26 -4.37 135.00 137.65 1s0y s PRO 35 Ca 0.37 1.78 0.22 0.00 0.04 0.00 0.00 61.00 63.42 1s0y s PRO 35 Cb -0.19 -1.98 1.22 0.00 0.04 0.00 0.00 34.50 33.59 1s0y s PRO 35 CO 0.20 -1.08 1.71 0.00 0.04 0.00 0.00 177.00 177.87 1s0y h ARG 36 N 1.05 0.27 0.00 4.56 3.08 -1.94 -0.57 114.38 120.83 1s0y h ARG 36 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1s0y h ARG 36 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1s0y h ARG 36 CO 0.56 0.18 0.00 0.93 -1.07 0.00 0.00 179.97 180.57 1s0y h GLU 37 N 0.28 0.00 -0.66 0.04 5.08 -1.98 -2.04 114.58 115.29 1s0y h GLU 37 Ca 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1s0y h GLU 37 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1s0y h GLU 37 CO -0.36 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.74 1s0y n ASN 38 N -2.64 4.50 -4.29 1.42 3.02 -0.22 -4.83 115.26 112.21 1s0y n ASN 38 Ca -0.01 -2.38 -0.38 0.00 -0.03 0.00 0.00 54.58 51.78 1s0y n ASN 38 Cb 0.14 -0.56 -0.12 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 -1.76 3.94 0.16 2.41 1.09 -0.77 -0.62 121.20 125.64 1s0y s ILE 39 Ca 0.49 -1.10 -0.24 0.00 -1.10 0.00 0.00 60.65 58.69 1s0y s ILE 39 Cb 0.31 -3.24 -0.08 0.00 -1.06 0.00 0.00 42.46 38.39 1s0y s ILE 39 CO 0.24 -0.21 0.75 0.12 -0.10 0.00 0.00 174.94 175.74 1s0y s PHE 40 N 1.43 3.88 -0.03 3.97 5.36 0.19 -4.96 117.98 127.81 1s0y s PHE 40 Ca -0.01 1.57 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1s0y s PHE 40 Cb -0.20 -2.72 0.03 0.00 -0.34 0.00 0.00 43.02 39.79 1s0y s PHE 40 CO 0.03 0.51 0.03 0.12 -1.46 0.00 0.00 175.22 174.46 1s0y s PHE 41 N -1.17 0.12 -0.02 10.12 5.36 -1.26 -0.13 117.98 131.00 1s0y s PHE 41 Ca 0.35 0.14 0.05 0.00 -0.96 0.00 0.00 56.93 56.51 1s0y s PHE 41 Cb -0.22 -0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 42.06 1s0y s PHE 41 CO 0.25 -0.15 -0.16 0.54 -1.46 0.00 0.00 175.22 174.24 1s0y s VAL 42 N 1.52 1.30 -0.12 3.12 0.11 -0.52 -4.99 120.40 120.81 1s0y s VAL 42 Ca -0.03 -0.70 -0.02 0.00 -2.93 0.00 0.00 61.98 58.30 1s0y s VAL 42 Cb -0.13 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 1s0y s VAL 42 CO -0.03 0.37 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.44 1s0y s ILE 43 N -0.33 3.84 -0.15 7.04 1.01 -1.26 -1.10 121.20 130.26 1s0y s ILE 43 Ca 0.05 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1s0y s ILE 43 Cb -0.07 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.76 1s0y s ILE 43 CO -0.00 0.53 -0.20 -0.13 0.00 0.00 0.00 174.94 175.14 1s0y s ARG 44 N -0.07 3.06 0.27 2.79 0.52 0.10 -4.94 118.95 120.69 1s0y s ARG 44 Ca 0.01 -0.83 0.08 0.00 -0.52 0.00 0.00 55.73 54.47 1s0y s ARG 44 Cb -0.13 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1s0y s ARG 44 CO 0.03 -0.02 0.14 -1.21 0.02 0.00 0.00 175.30 174.26 1s0y s GLU 45 N 0.85 2.70 0.16 3.54 2.02 -1.25 -0.08 118.70 126.65 1s0y s GLU 45 Ca -0.06 -1.21 -0.23 0.00 0.02 0.00 0.00 54.97 53.50 1s0y s GLU 45 Cb -0.15 -2.42 0.08 0.00 0.10 0.00 0.00 34.13 31.74 1s0y s GLU 45 CO -0.02 0.35 1.05 0.20 0.02 0.00 0.00 175.26 176.86 1s0y s GLY 46 N -3.81 0.05 0.77 -1.39 0.00 -0.99 -4.87 107.32 97.07 1s0y s GLY 46 Ca 0.33 -0.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.71 1s0y s GLY 46 CO 0.23 2.29 1.10 -0.56 0.00 0.00 0.00 173.10 176.17 1s0y s SER 47 N -3.37 4.43 0.33 1.64 0.01 -1.26 -0.84 113.70 114.64 1s0y s SER 47 Ca 0.21 1.91 0.02 0.00 1.31 0.00 0.00 55.95 59.40 1s0y s SER 47 Cb -0.02 -2.53 0.56 0.00 0.21 0.00 0.00 66.02 64.24 1s0y s SER 47 CO 0.04 -2.09 1.93 1.23 0.41 0.00 0.00 173.24 174.77 1s0y h GLY 48 N -0.98 0.82 2.00 3.44 0.00 -1.81 -1.79 103.07 104.74 1s0y h GLY 48 Ca -0.44 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1s0y h GLY 48 CO 0.51 0.37 0.00 1.19 0.00 0.00 0.00 176.54 178.61 1s0y h ILE 49 N 0.76 0.00 0.00 2.60 2.10 -1.80 -2.24 117.51 118.93 1s0y h ILE 49 Ca 0.19 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1s0y h ILE 49 Cb 0.11 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 1s0y h ILE 49 CO -0.02 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.64 1s0y n ASN 50 N -2.37 0.05 -4.37 2.19 4.13 -0.67 -4.72 115.26 109.49 1s0y n ASN 50 Ca 0.01 0.51 -0.33 0.00 1.68 0.00 0.00 54.58 56.45 1s0y n ASN 50 Cb 0.20 -0.52 -0.15 0.00 -1.54 0.00 0.00 39.78 37.77 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 -3.01 2.71 -0.16 3.10 0.40 -0.86 -5.03 117.98 115.14 1s0y s PHE 51 Ca 0.12 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1s0y s PHE 51 Cb 0.16 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.97 1s0y s PHE 51 CO 0.46 -0.14 -0.12 0.08 0.70 0.00 0.00 175.22 176.20 1s0y s VAL 52 N 0.03 1.49 -0.12 -0.44 1.01 -1.26 -0.58 120.40 120.53 1s0y s VAL 52 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1s0y s VAL 52 Cb -0.15 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1s0y s VAL 52 CO 0.05 0.37 -0.19 -1.61 0.00 0.00 0.00 175.10 173.72 1s0y s GLU 53 N 1.50 2.65 -1.20 2.72 0.41 0.08 -4.72 118.70 120.14 1s0y s GLU 53 Ca 0.03 -0.72 -0.06 0.00 -0.41 0.00 0.00 54.97 53.81 1s0y s GLU 53 Cb -0.14 -2.17 0.01 0.00 -1.78 0.00 0.00 34.13 30.05 1s0y s GLU 53 CO -0.10 -0.02 1.04 0.72 -0.49 0.00 0.00 175.26 176.42 1s0y n HIS 54 N 4.08 -2.49 0.00 1.61 8.25 -1.26 -2.17 115.22 123.24 1s0y n HIS 54 Ca -0.20 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 1s0y n HIS 54 Cb 0.51 -4.70 0.00 0.00 1.12 0.00 0.00 29.99 26.92 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 -1.72 2.19 3.68 -1.41 0.00 -1.26 -4.97 105.19 101.70 1s0y n GLY 55 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.46 0.60 1.61 4.04 -0.92 -5.08 118.70 122.41 1s0y s GLU 56 Ca 0.00 -0.35 -0.17 0.00 0.04 0.00 0.00 54.97 54.50 1s0y s GLU 56 Cb 0.00 -3.01 -0.03 0.00 0.02 0.00 0.00 34.13 31.11 1s0y s GLU 56 CO 0.00 0.53 1.10 -1.01 -1.84 0.00 0.00 175.26 174.04 1s0y s HIS 57 N -0.38 2.75 0.26 4.83 0.09 -1.26 -0.74 115.29 120.84 1s0y s HIS 57 Ca 0.09 1.54 -0.06 0.00 -0.00 0.00 0.00 55.06 56.63 1s0y s HIS 57 Cb -0.12 -3.15 -0.06 0.00 -0.00 0.00 0.00 32.58 29.25 1s0y s HIS 57 CO 0.02 -1.45 0.54 -0.51 -0.00 0.00 0.00 174.74 173.33 1s0y s LEU 58 N -4.41 4.10 0.34 0.89 1.43 0.26 -4.85 118.68 116.43 1s0y s LEU 58 Ca 0.68 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.37 1s0y s LEU 58 Cb -0.20 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 1s0y s LEU 58 CO 0.35 -0.15 0.77 -2.16 0.23 0.00 0.00 176.35 175.40 1s0y s PRO 59 N -3.30 4.04 0.53 1.29 0.04 -1.26 -2.44 135.00 133.90 1s0y s PRO 59 Ca 0.45 0.75 -0.20 0.00 0.04 0.00 0.00 61.00 62.03 1s0y s PRO 59 Cb -0.11 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 1s0y s PRO 59 CO 0.27 0.12 0.68 -0.25 0.04 0.00 0.00 177.00 177.86 1s0y n ASP 60 N -0.42 -0.35 -0.06 6.66 10.43 -1.26 -4.59 116.55 126.95 1s0y n ASP 60 Ca 0.04 0.82 0.16 0.00 2.57 0.00 0.00 54.79 58.38 1s0y n ASP 60 Cb 0.53 -1.23 0.90 0.00 1.84 0.00 0.00 41.12 43.16 1s0y n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13