#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zgg s ASP 2 N 0.00 0.65 0.04 6.12 -1.08 -1.26 -1.15 116.67 120.00 1zgg s ASP 2 Ca 0.00 0.15 0.08 0.00 -0.52 0.00 0.00 52.55 52.26 1zgg s ASP 2 Cb 0.00 -0.00 -0.03 0.00 -1.46 0.00 0.00 42.92 41.43 1zgg s ASP 2 CO 0.00 -0.21 -0.24 -0.63 0.52 0.00 0.00 175.17 174.61 1zgg s ILE 3 N 1.81 1.92 -0.19 4.11 1.01 -0.43 -0.88 121.20 128.55 1zgg s ILE 3 Ca -0.00 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.39 1zgg s ILE 3 Cb -0.12 -1.64 0.03 0.00 0.01 0.00 0.00 42.46 40.73 1zgg s ILE 3 CO -0.04 0.32 -0.16 -0.63 0.00 0.00 0.00 174.94 174.43 1zgg s ILE 4 N -0.77 1.88 0.14 2.92 1.01 -0.26 -0.40 121.20 125.71 1zgg s ILE 4 Ca 0.10 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1zgg s ILE 4 Cb -0.09 -1.79 -0.07 0.00 0.01 0.00 0.00 42.46 40.52 1zgg s ILE 4 CO 0.02 0.38 0.90 -0.36 0.00 0.00 0.00 174.94 175.87 1zgg s PHE 5 N 1.33 3.85 -0.10 3.97 0.08 -0.36 -0.59 117.98 126.17 1zgg s PHE 5 Ca 0.02 1.75 -0.09 0.00 0.12 0.00 0.00 56.93 58.74 1zgg s PHE 5 Cb -0.14 -2.96 0.03 0.00 -0.57 0.00 0.00 43.02 39.37 1zgg s PHE 5 CO -0.11 0.32 0.26 0.54 -0.10 0.00 0.00 175.22 176.13 1zgg s VAL 6 N -0.43 -0.01 0.00 -0.44 0.11 -0.41 -1.12 120.40 118.10 1zgg s VAL 6 Ca 0.43 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1zgg s VAL 6 Cb -0.23 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1zgg s VAL 6 CO 0.29 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 172.06 1zgg h THR 8 N 0.17 1.05 -0.45 0.00 1.35 -1.93 -1.04 112.91 112.07 1zgg h THR 8 Ca 0.00 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1zgg h THR 8 Cb 0.00 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1zgg h THR 8 CO 0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1zgg n GLY 9 N 0.33 2.26 5.00 5.82 0.00 -1.26 -1.03 105.19 116.31 1zgg n GLY 9 Ca -0.08 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1zgg n GLY 9 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1zgg n ASN 10 N 1.04 0.00 0.32 1.61 5.15 -1.26 -4.47 115.26 117.66 1zgg n ASN 10 Ca 0.17 0.00 0.21 0.00 -0.60 0.00 0.00 54.58 54.35 1zgg n ASN 10 Cb 0.51 0.00 1.11 0.00 -0.53 0.00 0.00 39.78 40.86 1zgg n ASN 10 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1zgg h THR 11 N 0.00 0.11 -0.83 -0.44 1.35 -1.89 -1.70 112.91 109.51 1zgg h THR 11 Ca 0.00 -0.07 0.08 0.00 -0.55 0.00 0.00 66.41 65.86 1zgg h THR 11 Cb 0.00 1.06 -0.06 0.00 -1.73 0.00 0.00 68.15 67.43 1zgg h THR 11 CO 0.00 0.01 0.54 0.00 -0.25 0.00 0.00 175.52 175.82 1zgg n ARG 13 N -4.50 0.00 -0.17 0.00 0.63 -1.15 -4.34 116.66 107.13 1zgg n ARG 13 Ca 0.13 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.03 1zgg n ARG 13 Cb 0.25 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.20 1zgg n ARG 13 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1zgg h SER 14 N 0.00 -0.55 0.91 6.15 0.02 -1.56 -0.87 113.55 117.66 1zgg h SER 14 Ca 0.00 0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1zgg h SER 14 Cb 0.00 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1zgg h SER 14 CO 0.00 -0.19 -0.24 1.55 -1.14 0.00 0.00 176.83 176.81 1zgg h PRO 15 N -0.02 0.00 -0.24 3.45 0.13 -1.87 -0.39 132.00 133.07 1zgg h PRO 15 Ca 0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.36 1zgg h PRO 15 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1zgg h PRO 15 CO -0.55 0.24 0.07 0.52 -0.23 0.00 0.00 178.00 178.04 1zgg h MET 16 N 0.00 0.38 -0.56 0.86 2.86 -1.54 -0.88 114.93 116.05 1zgg h MET 16 Ca -0.00 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 1zgg h MET 16 Cb 0.76 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1zgg h MET 16 CO 0.03 0.47 0.04 0.00 1.06 0.00 0.00 176.91 178.51 1zgg h ALA 17 N 0.89 0.74 -0.15 6.32 0.00 -0.70 -0.48 119.26 125.88 1zgg h ALA 17 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1zgg h ALA 17 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1zgg h ALA 17 CO -0.00 0.54 0.10 1.49 0.00 0.00 0.00 179.25 181.37 1zgg h GLU 18 N 0.84 0.20 -0.42 0.00 4.81 -1.07 0.05 114.58 118.99 1zgg h GLU 18 Ca 0.16 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1zgg h GLU 18 Cb 0.49 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1zgg h GLU 18 CO 0.02 0.13 -0.09 0.00 -0.73 0.00 0.00 179.01 178.35 1zgg h ALA 19 N 1.05 0.58 -0.31 2.92 0.00 -0.89 0.37 119.26 122.98 1zgg h ALA 19 Ca 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1zgg h ALA 19 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1zgg h ALA 19 CO -0.01 0.44 0.12 -0.07 0.00 0.00 0.00 179.25 179.73 1zgg h LEU 20 N 0.62 0.43 -0.87 0.00 3.38 -1.01 -1.64 115.31 116.22 1zgg h LEU 20 Ca 0.11 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1zgg h LEU 20 Cb 0.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1zgg h LEU 20 CO 0.04 0.48 -0.36 0.15 0.09 0.00 0.00 178.44 178.84 1zgg h PHE 21 N 0.35 0.45 -0.40 1.13 3.57 -0.66 -0.12 116.94 121.26 1zgg h PHE 21 Ca 0.10 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1zgg h PHE 21 Cb 0.19 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1zgg h PHE 21 CO -0.00 0.71 0.24 0.87 -2.23 0.00 0.00 178.31 177.90 1zgg h LYS 22 N 0.33 0.48 -0.69 1.11 1.57 -0.78 0.22 116.57 118.82 1zgg h LYS 22 Ca 0.04 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1zgg h LYS 22 Cb 0.80 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1zgg h LYS 22 CO 0.06 0.32 0.27 0.66 -0.57 0.00 0.00 179.45 180.19 1zgg h SER 23 N 0.49 0.96 -0.45 0.86 4.64 -0.46 -0.95 113.55 118.64 1zgg h SER 23 Ca 0.16 -0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1zgg h SER 23 Cb -0.01 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1zgg h SER 23 CO -0.06 0.88 -0.20 0.40 -0.87 0.00 0.00 176.83 176.97 1zgg h ILE 24 N 0.99 1.27 -0.43 0.95 2.04 -0.75 -1.21 117.51 120.37 1zgg h ILE 24 Ca 0.23 -1.35 -0.10 0.00 1.00 0.00 0.00 64.86 64.64 1zgg h ILE 24 Cb 0.22 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1zgg h ILE 24 CO -0.02 0.46 -0.14 0.00 0.00 0.00 0.00 178.15 178.45 1zgg h ALA 25 N 0.84 0.94 -0.41 1.87 0.00 -0.35 -0.09 119.26 122.06 1zgg h ALA 25 Ca 0.10 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1zgg h ALA 25 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1zgg h ALA 25 CO 0.06 0.62 -0.10 1.49 0.00 0.00 0.00 179.25 181.32 1zgg h GLU 26 N 0.72 0.80 -0.10 0.00 4.81 -0.93 0.14 114.58 120.01 1zgg h GLU 26 Ca 0.11 -0.31 -0.18 0.00 -0.13 0.00 0.00 59.36 58.86 1zgg h GLU 26 Cb 0.64 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1zgg h GLU 26 CO 0.04 0.93 -0.68 0.07 -0.73 0.00 0.00 179.01 178.64 1zgg h ARG 27 N 0.62 0.42 0.00 1.92 -0.00 -1.02 -3.23 114.38 113.10 1zgg h ARG 27 Ca 0.10 -0.32 0.00 0.00 -0.00 0.00 0.00 59.98 59.76 1zgg h ARG 27 Cb 0.63 0.06 0.00 0.00 -0.00 0.00 0.00 29.97 30.66 1zgg h ARG 27 CO 0.04 0.95 -0.64 1.49 -0.00 0.00 0.00 179.97 181.81 1zgg h GLU 28 N 0.30 0.00 -3.57 0.08 4.57 -0.97 -3.48 114.58 111.51 1zgg h GLU 28 Ca -0.02 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1zgg h GLU 28 Cb 1.25 0.00 0.07 0.00 -0.16 0.00 0.00 28.75 29.91 1zgg h GLU 28 CO 0.12 0.00 -0.33 0.41 -1.18 0.00 0.00 179.01 178.03 1zgg n GLY 29 N 1.28 0.10 3.37 1.92 0.00 0.32 -5.03 105.19 107.14 1zgg n GLY 29 Ca 0.03 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1zgg n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zgg s LEU 30 N -3.88 3.94 -0.54 0.99 0.20 -0.26 -5.05 118.68 114.08 1zgg s LEU 30 Ca 0.00 -0.68 -0.28 0.00 0.69 0.00 0.00 54.13 53.87 1zgg s LEU 30 Cb -0.00 -1.91 -0.00 0.00 -0.43 0.00 0.00 46.19 43.84 1zgg s LEU 30 CO 0.32 -0.20 1.60 0.21 -0.29 0.00 0.00 176.35 177.99 1zgg s ASN 31 N 1.53 5.84 0.27 3.68 2.47 -1.26 -4.74 114.94 122.72 1zgg s ASN 31 Ca 0.03 0.45 -0.02 0.00 0.42 0.00 0.00 52.86 53.74 1zgg s ASN 31 Cb -0.17 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.07 1zgg s ASN 31 CO 0.03 -1.90 0.30 0.68 -3.72 0.00 0.00 177.10 172.49 1zgg s VAL 32 N 7.05 0.00 0.05 -5.21 -7.23 -1.26 -4.55 120.40 109.26 1zgg s VAL 32 Ca 0.61 -1.80 0.06 0.00 -1.81 0.00 0.00 61.98 59.04 1zgg s VAL 32 Cb -0.13 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1zgg s VAL 32 CO 0.25 0.00 -0.16 0.21 -0.31 0.00 0.00 175.10 175.09 1zgg s ASN 33 N -3.19 1.90 0.02 4.85 2.47 -0.30 -4.99 114.94 115.70 1zgg s ASN 33 Ca 0.34 -0.52 0.01 0.00 0.42 0.00 0.00 52.86 53.11 1zgg s ASN 33 Cb 0.03 -0.11 -0.02 0.00 -1.45 0.00 0.00 41.25 39.70 1zgg s ASN 33 CO 0.16 0.04 -0.05 0.68 -3.72 0.00 0.00 177.10 174.21 1zgg s VAL 34 N -0.96 0.29 0.27 -5.21 -7.23 -1.26 -1.32 120.40 104.99 1zgg s VAL 34 Ca 0.02 -0.79 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1zgg s VAL 34 Cb -0.09 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 1zgg s VAL 34 CO 0.02 -0.33 0.10 -0.13 -0.31 0.00 0.00 175.10 174.45 1zgg s ARG 35 N -1.18 1.47 0.06 4.82 0.52 0.46 -4.94 118.95 120.16 1zgg s ARG 35 Ca -0.10 -1.81 0.05 0.00 -0.52 0.00 0.00 55.73 53.35 1zgg s ARG 35 Cb -0.08 -0.30 -0.03 0.00 0.52 0.00 0.00 34.95 35.07 1zgg s ARG 35 CO -0.00 -0.31 -0.14 -1.12 0.02 0.00 0.00 175.30 173.75 1zgg s SER 36 N -3.35 1.60 0.34 0.23 0.01 -1.26 -1.23 113.70 110.06 1zgg s SER 36 Ca 0.37 -0.55 -0.06 0.00 1.31 0.00 0.00 55.95 57.02 1zgg s SER 36 Cb 0.07 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1zgg s SER 36 CO 0.14 -0.05 0.54 0.00 0.41 0.00 0.00 173.24 174.28 1zgg s ALA 37 N -1.13 0.38 -0.00 1.44 0.00 -0.28 -4.71 121.76 117.47 1zgg s ALA 37 Ca -0.01 -1.31 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 1zgg s ALA 37 Cb -0.09 1.05 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 1zgg s ALA 37 CO 0.02 -0.84 0.01 0.20 0.00 0.00 0.00 175.76 175.16 1zgg s GLY 38 N -3.19 0.05 0.58 0.00 0.00 -1.16 -3.17 107.32 100.43 1zgg s GLY 38 Ca 0.27 -0.10 0.34 0.00 0.00 0.00 0.00 44.72 45.23 1zgg s GLY 38 CO 0.18 -0.12 2.18 -0.39 0.00 0.00 0.00 173.10 174.94 1zgg h VAL 39 N 4.98 0.32 0.00 1.40 -1.51 -0.92 -0.21 116.25 120.32 1zgg h VAL 39 Ca -0.26 -0.28 -0.14 0.00 -1.23 0.00 0.00 66.70 64.79 1zgg h VAL 39 Cb 1.21 1.21 -0.30 0.00 -2.13 0.00 0.00 31.29 31.28 1zgg h VAL 39 CO 0.47 0.05 -0.90 0.49 -1.23 0.00 0.00 177.57 176.45 1zgg n PHE 40 N -3.45 0.00 -1.21 5.19 3.72 -0.20 -4.70 117.46 116.82 1zgg n PHE 40 Ca -0.02 -0.58 -0.29 0.00 -0.05 0.00 0.00 57.45 56.50 1zgg n PHE 40 Cb 0.17 -0.15 0.20 0.00 -0.94 0.00 0.00 39.48 38.76 1zgg n PHE 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1zgg s ALA 41 N -0.45 0.92 0.01 4.37 0.00 -1.00 -4.74 121.76 120.88 1zgg s ALA 41 Ca 0.31 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1zgg s ALA 41 Cb 0.35 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 1zgg s ALA 41 CO -0.14 -3.11 -0.05 -1.12 0.00 0.00 0.00 175.76 171.34 1zgg s SER 42 N -3.78 0.62 0.00 0.00 0.01 -1.26 -4.18 113.70 105.11 1zgg s SER 42 Ca 0.68 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1zgg s SER 42 Cb -0.14 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1zgg s SER 42 CO 0.56 -0.01 0.00 -2.65 0.41 0.00 0.00 173.24 171.55 1zgg n PRO 43 N 2.59 0.00 0.00 12.44 -0.02 -1.26 -2.55 135.00 146.21 1zgg n PRO 43 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1zgg n PRO 43 Cb 0.57 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 1zgg n PRO 43 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1zgg n ASN 44 N -0.11 0.00 -4.75 2.55 5.15 -1.26 -4.72 115.26 112.12 1zgg n ASN 44 Ca 0.00 -1.00 -0.40 0.00 -0.60 0.00 0.00 54.58 52.58 1zgg n ASN 44 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1zgg n ASN 44 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1zgg s GLY 45 N 0.00 3.10 -0.17 8.20 0.00 -1.06 -4.89 107.32 112.50 1zgg s GLY 45 Ca 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 44.72 45.31 1zgg s GLY 45 CO 0.00 1.25 0.14 1.25 0.00 0.00 0.00 173.10 175.73 1zgg s LYS 46 N -1.05 0.09 0.35 2.90 2.20 -1.26 -0.26 119.74 122.72 1zgg s LYS 46 Ca 0.42 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 1zgg s LYS 46 Cb -0.26 -1.46 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 1zgg s LYS 46 CO 0.32 -0.62 0.00 0.00 -0.36 0.00 0.00 175.35 174.69 1zgg n ALA 47 N 5.30 0.00 -2.10 3.13 0.00 -1.03 -4.87 120.51 120.93 1zgg n ALA 47 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1zgg n ALA 47 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 1zgg n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1zgg s THR 48 N 0.00 0.30 0.56 0.00 -4.23 -1.26 -4.85 115.64 106.16 1zgg s THR 48 Ca 0.00 -1.83 0.28 0.00 -1.18 0.00 0.00 61.69 58.96 1zgg s THR 48 Cb 0.00 -1.56 0.28 0.00 1.34 0.00 0.00 72.50 72.56 1zgg s THR 48 CO 0.00 -0.97 1.84 -0.65 -0.54 0.00 0.00 174.62 174.30 1zgg h PRO 49 N 3.11 0.00 0.00 3.99 0.11 -1.99 -2.60 132.00 134.63 1zgg h PRO 49 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1zgg h PRO 49 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1zgg h PRO 49 CO 0.66 0.00 -0.99 0.72 -0.21 0.00 0.00 178.00 178.18 1zgg n HIS 50 N -2.77 0.00 -0.03 0.65 8.25 -1.26 -4.08 115.22 115.98 1zgg n HIS 50 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1zgg n HIS 50 Cb 0.35 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.41 1zgg n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zgg h ALA 51 N 0.00 0.18 -0.76 -1.41 0.00 -1.93 0.16 119.26 115.50 1zgg h ALA 51 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1zgg h ALA 51 Cb 0.82 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1zgg h ALA 51 CO 0.00 -0.27 0.43 -0.24 0.00 0.00 0.00 179.25 179.17 1zgg h VAL 52 N 0.11 1.22 -0.37 0.00 3.04 -1.72 -1.50 116.25 117.03 1zgg h VAL 52 Ca 0.05 -0.53 -0.13 0.00 -1.01 0.00 0.00 66.70 65.08 1zgg h VAL 52 Cb 0.10 0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 1zgg h VAL 52 CO -0.01 0.24 -0.30 -0.08 -1.01 0.00 0.00 177.57 176.42 1zgg h GLU 53 N 1.04 0.80 -0.75 4.17 4.81 -1.67 0.87 114.58 123.84 1zgg h GLU 53 Ca 0.27 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1zgg h GLU 53 Cb 0.01 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1zgg h GLU 53 CO -0.05 0.99 0.29 0.00 -0.73 0.00 0.00 179.01 179.51 1zgg h ALA 54 N 0.99 0.98 0.00 2.92 0.00 -0.47 0.48 119.26 124.16 1zgg h ALA 54 Ca 0.08 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1zgg h ALA 54 Cb 0.83 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1zgg h ALA 54 CO 0.07 0.62 -0.52 -0.07 0.00 0.00 0.00 179.25 179.35 1zgg h LEU 55 N 1.09 0.00 -0.63 0.00 -0.00 -1.06 -0.89 115.31 113.82 1zgg h LEU 55 Ca 0.25 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.99 1zgg h LEU 55 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1zgg h LEU 55 CO -0.02 0.31 -0.43 -0.26 -0.00 0.00 0.00 178.44 178.05 1zgg h PHE 56 N 0.00 0.70 -0.36 1.13 0.04 -0.50 0.76 116.94 118.71 1zgg h PHE 56 Ca -0.02 -0.21 -0.10 0.00 2.80 0.00 0.00 57.97 60.43 1zgg h PHE 56 Cb 1.26 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 39.24 1zgg h PHE 56 CO 0.00 0.91 -0.20 1.49 -0.60 0.00 0.00 178.31 179.91 1zgg h GLU 57 N 0.48 0.69 0.00 1.51 4.57 -0.82 -0.69 114.58 120.32 1zgg h GLU 57 Ca 0.04 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1zgg h GLU 57 Cb 0.94 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1zgg h GLU 57 CO 0.08 0.84 0.00 1.17 -1.18 0.00 0.00 179.01 179.92 1zgg n LYS 58 N -4.13 0.17 -3.66 1.92 3.00 -0.35 -4.90 118.16 110.22 1zgg n LYS 58 Ca 0.00 0.17 -0.22 0.00 -0.00 0.00 0.00 58.31 58.26 1zgg n LYS 58 Cb 0.41 -1.50 0.05 0.00 0.00 0.00 0.00 35.03 33.99 1zgg n LYS 58 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1zgg n HIS 59 N -1.30 -2.16 0.07 5.64 1.44 -0.26 -4.92 115.22 113.72 1zgg n HIS 59 Ca 0.06 0.90 0.04 0.00 -2.01 0.00 0.00 57.72 56.71 1zgg n HIS 59 Cb 0.11 -4.57 -0.06 0.00 0.12 0.00 0.00 29.99 25.59 1zgg n HIS 59 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1zgg n ILE 60 N -4.40 0.00 -3.35 0.61 5.41 0.13 -5.01 119.36 112.76 1zgg n ILE 60 Ca -0.20 -0.21 -0.15 0.00 1.00 0.00 0.00 62.75 63.19 1zgg n ILE 60 Cb 0.64 0.46 0.03 0.00 -0.71 0.00 0.00 39.64 40.05 1zgg n ILE 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1zgg n ALA 61 N -1.66 -2.55 -1.70 -1.39 0.00 -1.19 -4.92 120.51 107.12 1zgg n ALA 61 Ca -0.01 -0.05 -0.44 0.00 0.00 0.00 0.00 53.44 52.94 1zgg n ALA 61 Cb 0.19 -3.24 -0.03 0.00 0.00 0.00 0.00 19.45 16.37 1zgg n ALA 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1zgg n LEU 62 N -2.85 3.57 -3.21 0.00 0.00 -1.26 -4.99 117.00 108.26 1zgg n LEU 62 Ca -0.08 1.11 -0.00 0.00 0.00 0.00 0.00 56.01 57.04 1zgg n LEU 62 Cb 0.58 -1.49 -0.03 0.00 0.00 0.00 0.00 43.42 42.47 1zgg n LEU 62 CO 0.59 -0.16 0.08 0.21 0.00 0.00 0.00 177.39 178.12 1zgg s ASN 63 N 0.66 -0.89 -0.21 1.96 3.84 -1.26 -4.91 114.94 114.13 1zgg s ASN 63 Ca 0.71 0.57 -0.04 0.00 0.21 0.00 0.00 52.86 54.31 1zgg s ASN 63 Cb -0.59 1.82 0.11 0.00 -0.55 0.00 0.00 41.25 42.04 1zgg s ASN 63 CO 0.43 -0.28 0.34 -2.28 -2.79 0.00 0.00 177.10 172.52 1zgg s HIS 64 N 2.76 -0.65 0.02 0.43 2.46 -1.26 -5.07 115.29 113.97 1zgg s HIS 64 Ca 0.17 0.82 -0.25 0.00 0.47 0.00 0.00 55.06 56.28 1zgg s HIS 64 Cb -0.14 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.23 1zgg s HIS 64 CO -0.21 -0.61 0.76 0.08 -2.47 0.00 0.00 174.74 172.29 1zgg s VAL 65 N 2.49 4.79 1.07 0.89 1.01 -1.26 -2.47 120.40 126.93 1zgg s VAL 65 Ca 0.08 1.61 -0.16 0.00 0.00 0.00 0.00 61.98 63.51 1zgg s VAL 65 Cb -0.15 -4.11 0.23 0.00 0.00 0.00 0.00 36.38 32.35 1zgg s VAL 65 CO -0.14 0.34 1.14 -0.44 0.00 0.00 0.00 175.10 176.00 1zgg s SER 66 N 0.13 2.05 0.03 3.32 0.01 0.65 -4.98 113.70 114.90 1zgg s SER 66 Ca 0.39 0.77 -0.27 0.00 1.31 0.00 0.00 55.95 58.15 1zgg s SER 66 Cb -0.20 -1.16 0.07 0.00 0.21 0.00 0.00 66.02 64.94 1zgg s SER 66 CO 0.22 -3.44 0.64 -0.44 0.41 0.00 0.00 173.24 170.63 1zgg s SER 67 N -3.94 -0.61 0.36 2.44 0.01 -1.26 -4.10 113.70 106.61 1zgg s SER 67 Ca 0.69 0.43 -0.27 0.00 1.31 0.00 0.00 55.95 58.11 1zgg s SER 67 Cb -0.12 0.56 -0.09 0.00 0.21 0.00 0.00 66.02 66.58 1zgg s SER 67 CO 0.56 -0.74 1.17 -2.16 0.41 0.00 0.00 173.24 172.47 1zgg s PRO 68 N -2.17 4.23 -0.24 12.44 0.04 -1.26 -2.96 135.00 145.07 1zgg s PRO 68 Ca -0.06 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 1zgg s PRO 68 Cb -0.00 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1zgg s PRO 68 CO 0.01 -0.18 1.82 -1.17 0.04 0.00 0.00 177.00 177.52 1zgg s LEU 69 N -2.17 3.71 0.16 -3.56 2.96 -0.10 -4.79 118.68 114.88 1zgg s LEU 69 Ca 0.53 1.63 0.04 0.00 -0.22 0.00 0.00 54.13 56.11 1zgg s LEU 69 Cb -0.32 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 1zgg s LEU 69 CO 0.41 -1.53 -0.07 0.42 -1.32 0.00 0.00 176.35 174.25 1zgg s THR 70 N 6.31 1.07 0.33 3.68 -4.23 -1.26 -4.85 115.64 116.70 1zgg s THR 70 Ca 0.81 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 59.36 1zgg s THR 70 Cb -0.27 -1.94 0.08 0.00 1.34 0.00 0.00 72.50 71.71 1zgg s THR 70 CO 0.33 -0.66 1.78 -0.08 -0.54 0.00 0.00 174.62 175.45 1zgg h GLU 71 N 2.73 0.20 -0.40 3.99 4.81 -1.99 -1.23 114.58 122.70 1zgg h GLU 71 Ca -0.37 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 58.70 1zgg h GLU 71 Cb 1.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1zgg h GLU 71 CO 0.64 0.51 -0.12 1.05 -0.73 0.00 0.00 179.01 180.36 1zgg h GLU 72 N 0.18 0.71 -0.25 1.92 4.11 -1.98 0.01 114.58 119.28 1zgg h GLU 72 Ca 0.02 -0.23 -0.12 0.00 0.07 0.00 0.00 59.36 59.10 1zgg h GLU 72 Cb 0.67 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1zgg h GLU 72 CO 0.05 0.81 -0.29 1.25 0.07 0.00 0.00 179.01 180.89 1zgg h LEU 73 N 0.65 0.70 -0.96 3.06 5.85 -1.66 0.75 115.31 123.70 1zgg h LEU 73 Ca 0.11 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 58.46 1zgg h LEU 73 Cb 0.57 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 1zgg h LEU 73 CO 0.04 1.05 0.59 -0.03 -0.34 0.00 0.00 178.44 179.74 1zgg h MET 74 N 0.36 0.91 0.00 1.25 4.05 -0.97 0.13 114.93 120.66 1zgg h MET 74 Ca 0.03 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 1zgg h MET 74 Cb 0.87 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 1zgg h MET 74 CO 0.07 0.60 -0.62 0.93 0.23 0.00 0.00 176.91 178.12 1zgg h GLU 75 N 0.93 0.00 0.00 0.39 4.39 -0.86 -3.11 114.58 116.33 1zgg h GLU 75 Ca 0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.18 1zgg h GLU 75 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1zgg h GLU 75 CO -0.27 0.48 0.00 0.77 -1.16 0.00 0.00 179.01 178.83 1zgg h SER 76 N 0.00 0.00 -0.82 1.42 0.02 0.37 -3.45 113.55 111.09 1zgg h SER 76 Ca -0.02 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.37 1zgg h SER 76 Cb 1.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 1zgg h SER 76 CO 0.06 0.00 -0.30 0.00 -1.14 0.00 0.00 176.83 175.46 1zgg s ALA 77 N -3.48 4.36 0.00 3.77 0.00 -0.08 -4.96 121.76 121.38 1zgg s ALA 77 Ca 0.03 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1zgg s ALA 77 Cb 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1zgg s ALA 77 CO 0.53 -0.45 0.00 -3.47 0.00 0.00 0.00 175.76 172.37 1zgg n ASP 78 N -1.77 1.79 -4.13 0.00 2.03 -0.19 -4.92 116.55 109.36 1zgg n ASP 78 Ca 0.02 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.10 1zgg n ASP 78 Cb 0.63 0.32 -0.15 0.00 -0.72 0.00 0.00 41.12 41.21 1zgg n ASP 78 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1zgg s LEU 79 N -1.29 2.07 -0.03 -2.67 2.96 -0.06 -4.84 118.68 114.82 1zgg s LEU 79 Ca 0.00 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1zgg s LEU 79 Cb 0.00 -0.73 -0.00 0.00 0.50 0.00 0.00 46.19 45.95 1zgg s LEU 79 CO 0.00 0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.36 1zgg s VAL 80 N -0.48 1.02 -0.31 1.68 1.01 -0.28 -1.10 120.40 121.93 1zgg s VAL 80 Ca 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1zgg s VAL 80 Cb -0.06 -0.89 0.10 0.00 0.00 0.00 0.00 36.38 35.53 1zgg s VAL 80 CO -0.00 0.30 0.12 -0.22 0.00 0.00 0.00 175.10 175.30 1zgg s LEU 81 N 0.04 1.76 -0.11 3.92 0.20 0.25 -1.19 118.68 123.54 1zgg s LEU 81 Ca -0.01 -1.62 -0.09 0.00 0.69 0.00 0.00 54.13 53.10 1zgg s LEU 81 Cb -0.09 -0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 44.91 1zgg s LEU 81 CO 0.01 -0.41 0.18 0.00 -0.29 0.00 0.00 176.35 175.84 1zgg s ALA 82 N 1.66 3.82 0.32 5.97 0.00 0.10 -1.28 121.76 132.35 1zgg s ALA 82 Ca 0.10 -0.58 0.27 0.00 0.00 0.00 0.00 51.96 51.76 1zgg s ALA 82 Cb -0.17 -2.07 1.31 0.00 0.00 0.00 0.00 23.12 22.19 1zgg s ALA 82 CO -0.26 0.53 2.00 0.52 0.00 0.00 0.00 175.76 178.55 1zgg h MET 83 N 5.18 0.00 -4.07 0.00 0.00 -1.45 0.12 114.93 114.71 1zgg h MET 83 Ca -0.53 0.00 -0.11 0.00 0.00 0.00 0.00 59.70 59.06 1zgg h MET 83 Cb 1.22 0.00 -0.15 0.00 0.00 0.00 0.00 31.60 32.67 1zgg h MET 83 CO 0.61 0.15 -0.58 0.95 0.00 0.00 0.00 176.91 178.04 1zgg s THR 84 N -3.99 0.19 0.39 2.22 -4.23 -1.26 -4.31 115.64 104.64 1zgg s THR 84 Ca -0.02 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 1zgg s THR 84 Cb 0.12 -1.36 0.22 0.00 1.34 0.00 0.00 72.50 72.81 1zgg s THR 84 CO 0.59 -0.85 1.98 1.12 -0.54 0.00 0.00 174.62 176.93 1zgg h HIS 85 N 3.14 0.47 -0.76 3.99 2.07 -1.90 -1.32 115.15 120.85 1zgg h HIS 85 Ca -0.34 -0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.15 1zgg h HIS 85 Cb 1.16 -0.15 -0.04 0.00 2.57 0.00 0.00 27.41 30.96 1zgg h HIS 85 CO 0.51 0.39 0.42 0.37 -3.07 0.00 0.00 177.93 176.55 1zgg h GLN 86 N 0.47 1.06 -0.56 5.12 5.75 -1.99 0.66 115.11 125.63 1zgg h GLN 86 Ca 0.12 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1zgg h GLN 86 Cb 0.12 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1zgg h GLN 86 CO -0.01 0.78 0.20 0.45 -2.65 0.00 0.00 178.83 177.60 1zgg h HIS 87 N 1.05 0.87 -0.62 3.99 3.86 -1.80 -0.71 115.15 121.80 1zgg h HIS 87 Ca 0.27 -0.08 0.08 0.00 -1.16 0.00 0.00 60.37 59.48 1zgg h HIS 87 Cb 0.02 -0.26 -0.06 0.00 1.06 0.00 0.00 27.41 28.17 1zgg h HIS 87 CO -0.00 0.72 0.27 -0.22 0.86 0.00 0.00 177.93 179.57 1zgg h LYS 88 N 0.77 0.48 -0.44 2.45 3.64 -0.46 -0.32 116.57 122.70 1zgg h LYS 88 Ca 0.18 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1zgg h LYS 88 Cb 0.23 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1zgg h LYS 88 CO -0.01 0.32 -0.09 1.96 -2.27 0.00 0.00 179.45 179.36 1zgg h GLN 89 N 0.49 0.77 -0.22 1.90 4.20 -0.53 -0.88 115.11 120.84 1zgg h GLN 89 Ca 0.30 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1zgg h GLN 89 Cb 0.31 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1zgg h GLN 89 CO -0.26 0.84 0.09 0.82 -0.67 0.00 0.00 178.83 179.65 1zgg h ILE 90 N 0.70 1.16 -0.42 2.54 2.04 -0.31 -0.49 117.51 122.73 1zgg h ILE 90 Ca 0.12 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.56 1zgg h ILE 90 Cb 0.56 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1zgg h ILE 90 CO 0.03 0.16 0.15 0.40 0.00 0.00 0.00 178.15 178.89 1zgg h ILE 91 N 0.21 0.87 -0.88 -0.67 2.04 -0.68 0.02 117.51 118.42 1zgg h ILE 91 Ca 0.07 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1zgg h ILE 91 Cb 0.16 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1zgg h ILE 91 CO -0.01 0.06 0.47 0.00 0.00 0.00 0.00 178.15 178.67 1zgg h ALA 92 N 1.28 1.13 -0.23 1.87 0.00 -1.00 -1.59 119.26 120.71 1zgg h ALA 92 Ca 0.20 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1zgg h ALA 92 Cb 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1zgg h ALA 92 CO -0.20 0.65 -0.47 0.77 0.00 0.00 0.00 179.25 179.99 1zgg h SER 93 N 1.23 0.65 0.51 0.00 0.02 -0.00 0.33 113.55 116.29 1zgg h SER 93 Ca 0.31 -0.32 -0.27 0.00 -0.84 0.00 0.00 61.79 60.67 1zgg h SER 93 Cb 0.05 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.41 1zgg h SER 93 CO -0.05 1.02 -1.20 0.06 -1.14 0.00 0.00 176.83 175.52 1zgg h GLN 94 N 0.48 0.35 0.00 3.45 3.07 -0.79 -3.36 115.11 118.31 1zgg h GLN 94 Ca 0.03 -0.53 0.00 0.00 0.09 0.00 0.00 58.65 58.24 1zgg h GLN 94 Cb 1.00 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1zgg h GLN 94 CO 0.09 1.23 -1.34 1.19 0.09 0.00 0.00 178.83 180.08 1zgg n PHE 95 N -3.61 0.21 -1.10 0.06 3.72 -0.62 -5.01 117.46 111.11 1zgg n PHE 95 Ca -0.09 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1zgg n PHE 95 Cb 0.99 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1zgg n PHE 95 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1zgg n GLY 96 N 1.33 0.90 3.69 1.37 0.00 -0.30 -4.55 105.19 107.64 1zgg n GLY 96 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1zgg n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1zgg n ARG 97 N -1.09 -4.89 0.00 1.61 0.63 -0.05 -4.88 116.66 107.99 1zgg n ARG 97 Ca 0.00 0.62 0.02 0.00 -0.92 0.00 0.00 57.85 57.57 1zgg n ARG 97 Cb 0.37 -5.18 0.11 0.00 0.45 0.00 0.00 32.46 28.21 1zgg n ARG 97 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1zgg n TYR 98 N -4.26 0.00 -0.58 -0.14 4.02 -1.26 -4.40 117.16 110.53 1zgg n TYR 98 Ca -0.30 0.00 0.47 0.00 -0.01 0.00 0.00 57.90 58.06 1zgg n TYR 98 Cb 0.68 0.00 0.80 0.00 -0.02 0.00 0.00 39.34 40.80 1zgg n TYR 98 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1zgg h ARG 99 N 0.00 0.00 -0.82 -0.72 2.43 -1.89 -2.38 114.38 111.00 1zgg h ARG 99 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1zgg h ARG 99 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 1zgg h ARG 99 CO 0.00 0.00 0.54 0.22 -1.51 0.00 0.00 179.97 179.22 1zgg h ASP 100 N 0.00 0.53 1.10 -3.80 3.58 -2.01 -0.27 116.42 115.56 1zgg h ASP 100 Ca 0.81 0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.29 1zgg h ASP 100 Cb 3.28 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 44.26 1zgg h ASP 100 CO -0.01 0.28 0.00 0.29 -2.88 0.00 0.00 179.24 176.92 1zgg n LYS 101 N -4.52 0.07 -3.76 0.28 5.02 -0.90 -4.87 118.16 109.48 1zgg n LYS 101 Ca 0.16 0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 56.16 1zgg n LYS 101 Cb 0.49 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1zgg n LYS 101 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zgg s VAL 102 N -3.03 5.43 0.12 -0.18 1.01 -0.11 -1.13 120.40 122.51 1zgg s VAL 102 Ca 0.13 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.41 1zgg s VAL 102 Cb 0.17 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1zgg s VAL 102 CO 0.54 0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 175.62 1zgg s PHE 103 N -0.14 1.53 0.39 5.22 0.40 -0.34 -4.98 117.98 120.08 1zgg s PHE 103 Ca 0.11 -0.50 -0.11 0.00 -0.60 0.00 0.00 56.93 55.83 1zgg s PHE 103 Cb -0.12 -0.80 -0.07 0.00 0.51 0.00 0.00 43.02 42.54 1zgg s PHE 103 CO 0.01 0.19 0.77 0.99 0.70 0.00 0.00 175.22 177.87 1zgg s THR 104 N -1.88 4.77 0.15 0.64 2.01 -1.26 -0.72 115.64 119.34 1zgg s THR 104 Ca 0.09 0.66 -0.17 0.00 0.31 0.00 0.00 61.69 62.58 1zgg s THR 104 Cb -0.06 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1zgg s THR 104 CO 0.04 -0.48 1.77 0.25 -0.69 0.00 0.00 174.62 175.51 1zgg h LEU 105 N 1.38 0.23 -0.19 4.42 5.85 -0.89 0.11 115.31 126.22 1zgg h LEU 105 Ca -0.47 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.08 1zgg h LEU 105 Cb 1.19 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1zgg h LEU 105 CO 0.64 0.17 -0.88 0.11 -0.34 0.00 0.00 178.44 178.14 1zgg h LYS 106 N 0.34 0.00 -0.56 1.25 1.79 -1.71 -3.34 116.57 114.34 1zgg h LYS 106 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1zgg h LYS 106 Cb 0.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 1zgg h LYS 106 CO -0.11 0.88 0.36 1.49 -1.08 0.00 0.00 179.45 180.99 1zgg h GLU 107 N 0.00 0.74 0.00 3.15 4.81 -0.43 0.17 114.58 123.02 1zgg h GLU 107 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1zgg h GLU 107 Cb 1.59 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1zgg h GLU 107 CO 0.11 0.51 0.00 -0.92 -0.73 0.00 0.00 179.01 177.98 1zgg h TYR 108 N 0.75 0.00 0.00 0.92 3.20 -1.15 -2.01 116.97 118.69 1zgg h TYR 108 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1zgg h TYR 108 Cb -0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1zgg h TYR 108 CO -0.03 0.00 -0.97 0.28 -1.64 0.00 0.00 178.16 175.80 1zgg n VAL 109 N -3.01 0.00 0.15 1.81 0.31 -0.92 -4.77 118.33 111.91 1zgg n VAL 109 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.42 1zgg n VAL 109 Cb 0.10 -1.47 0.07 0.00 -0.91 0.00 0.00 33.84 31.63 1zgg n VAL 109 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1zgg h THR 110 N 0.00 0.03 0.00 2.52 1.35 -0.79 -3.48 112.91 112.54 1zgg h THR 110 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1zgg h THR 110 Cb 0.97 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1zgg h THR 110 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1zgg n GLY 111 N 1.15 0.75 2.96 5.82 0.00 -0.76 -5.02 105.19 110.10 1zgg n GLY 111 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1zgg n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zgg s SER 112 N -2.52 0.56 0.51 1.61 0.01 -1.25 -4.93 113.70 107.70 1zgg s SER 112 Ca 0.00 -0.15 -0.23 0.00 1.31 0.00 0.00 55.95 56.88 1zgg s SER 112 Cb 0.00 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.13 1zgg s SER 112 CO 0.00 0.01 1.40 1.41 0.41 0.00 0.00 173.24 176.47 1zgg n HIS 113 N 2.75 2.49 -0.16 2.43 -0.00 -1.26 -1.79 115.22 119.68 1zgg n HIS 113 Ca -0.14 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 1zgg n HIS 113 Cb 0.58 -2.41 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 1zgg n HIS 113 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1zgg n GLY 114 N 0.68 -2.71 3.16 -1.41 0.00 -1.26 -4.83 105.19 98.81 1zgg n GLY 114 Ca 0.08 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1zgg n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zgg s ASP 115 N -0.16 0.29 0.84 1.61 2.15 -1.26 -2.35 116.67 117.78 1zgg s ASP 115 Ca 0.00 -1.19 -0.12 0.00 0.43 0.00 0.00 52.55 51.67 1zgg s ASP 115 Cb 0.00 0.31 0.10 0.00 -0.30 0.00 0.00 42.92 43.03 1zgg s ASP 115 CO 0.00 -0.74 1.17 -0.69 -0.17 0.00 0.00 175.17 174.74 1zgg s VAL 116 N -4.04 2.00 0.11 1.11 1.01 -1.26 -4.87 120.40 114.46 1zgg s VAL 116 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 61.98 61.86 1zgg s VAL 116 Cb 0.07 -2.94 -0.16 0.00 0.00 0.00 0.00 36.38 33.35 1zgg s VAL 116 CO 0.02 0.00 1.31 -0.11 0.00 0.00 0.00 175.10 176.31 1zgg n LEU 117 N -3.45 1.70 -4.39 3.92 -0.00 -1.26 -4.97 117.00 108.56 1zgg n LEU 117 Ca 0.08 1.12 -0.44 0.00 -0.00 0.00 0.00 56.01 56.77 1zgg n LEU 117 Cb 0.61 -1.21 -0.07 0.00 -0.00 0.00 0.00 43.42 42.74 1zgg n LEU 117 CO 0.57 -1.07 0.07 -0.62 -0.00 0.00 0.00 177.39 176.34 1zgg s ASP 118 N 0.38 6.16 0.00 1.96 2.15 -1.26 -4.84 116.67 121.21 1zgg s ASP 118 Ca 0.81 -1.31 0.28 0.00 0.43 0.00 0.00 52.55 52.76 1zgg s ASP 118 Cb -0.91 -2.20 0.98 0.00 -0.30 0.00 0.00 42.92 40.49 1zgg s ASP 118 CO 0.48 -0.68 1.70 -0.81 -0.17 0.00 0.00 175.17 175.69 1zgg n PRO 119 N 5.31 1.08 -1.63 4.34 -0.04 -1.26 -4.96 135.00 137.83 1zgg n PRO 119 Ca -0.12 -0.58 -0.46 0.00 -0.04 0.00 0.00 63.50 62.30 1zgg n PRO 119 Cb 0.44 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1zgg n PRO 119 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zgg n PHE 120 N -0.45 2.22 -0.18 0.54 7.35 -1.26 -0.45 117.46 125.23 1zgg n PHE 120 Ca 0.15 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1zgg n PHE 120 Cb 0.33 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.47 1zgg n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1zgg n GLY 121 N 4.94 0.64 3.97 7.13 0.00 -1.26 -5.08 105.19 115.53 1zgg n GLY 121 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1zgg n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1zgg s GLY 122 N -1.42 1.78 0.82 -0.02 0.00 0.40 -5.10 107.32 103.79 1zgg s GLY 122 Ca 0.00 -1.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.04 1zgg s GLY 122 CO 0.00 -0.83 1.13 -0.56 0.00 0.00 0.00 173.10 172.84 1zgg s SER 123 N -4.88 4.31 0.37 1.64 0.01 -1.26 -4.92 113.70 108.98 1zgg s SER 123 Ca 0.72 1.03 0.12 0.00 1.31 0.00 0.00 55.95 59.13 1zgg s SER 123 Cb -0.03 -1.66 0.91 0.00 0.21 0.00 0.00 66.02 65.44 1zgg s SER 123 CO 0.50 -2.05 1.83 -0.29 0.41 0.00 0.00 173.24 173.64 1zgg h ILE 124 N -1.15 0.73 -0.05 1.44 6.09 -1.97 -0.08 117.51 122.52 1zgg h ILE 124 Ca -0.48 -0.20 -0.04 0.00 -1.37 0.00 0.00 64.86 62.77 1zgg h ILE 124 Cb 1.30 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.66 1zgg h ILE 124 CO 0.63 0.11 -0.17 -0.78 -3.07 0.00 0.00 178.15 174.87 1zgg h ASP 125 N 0.60 0.08 -0.39 2.19 3.58 -1.97 0.19 116.42 120.70 1zgg h ASP 125 Ca 0.50 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.80 1zgg h ASP 125 Cb 0.98 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1zgg h ASP 125 CO -0.25 0.25 -0.31 0.40 -2.88 0.00 0.00 179.24 176.46 1zgg h ILE 126 N 0.08 1.28 -0.16 2.25 1.08 -1.36 0.12 117.51 120.79 1zgg h ILE 126 Ca 0.02 -1.47 -0.10 0.00 -0.39 0.00 0.00 64.86 62.91 1zgg h ILE 126 Cb 0.34 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1zgg h ILE 126 CO 0.02 0.49 -0.34 1.88 -0.69 0.00 0.00 178.15 179.52 1zgg h TYR 127 N 0.70 0.38 -0.22 1.37 -1.99 -1.22 -1.62 116.97 114.37 1zgg h TYR 127 Ca 0.07 -0.09 -0.16 0.00 2.00 0.00 0.00 58.73 60.55 1zgg h TYR 127 Cb 0.89 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.52 1zgg h TYR 127 CO 0.06 0.64 -0.52 1.57 -0.00 0.00 0.00 178.16 179.91 1zgg h LYS 128 N 0.29 0.63 -0.59 4.88 5.09 -0.24 0.13 116.57 126.75 1zgg h LYS 128 Ca 0.04 -0.38 -0.02 0.00 0.09 0.00 0.00 60.65 60.37 1zgg h LYS 128 Cb 0.74 0.04 -0.03 0.00 0.10 0.00 0.00 32.23 33.08 1zgg h LYS 128 CO 0.06 0.99 0.29 1.96 -2.09 0.00 0.00 179.45 180.66 1zgg h GLN 129 N 0.49 0.85 -0.10 0.07 4.20 -0.86 -2.68 115.11 117.08 1zgg h GLN 129 Ca 0.02 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1zgg h GLN 129 Cb 1.07 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 1zgg h GLN 129 CO 0.10 0.68 0.06 1.15 -0.67 0.00 0.00 178.83 180.15 1zgg h THR 130 N 0.81 1.07 -0.10 -0.54 2.02 -0.90 -2.82 112.91 112.46 1zgg h THR 130 Ca 0.20 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 1zgg h THR 130 Cb 0.11 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1zgg h THR 130 CO -0.03 0.06 -0.17 0.08 0.37 0.00 0.00 175.52 175.83 1zgg h ARG 131 N 0.09 0.16 -0.28 6.66 0.11 -0.60 0.14 114.38 120.66 1zgg h ARG 131 Ca 0.04 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1zgg h ARG 131 Cb 0.05 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 1zgg h ARG 131 CO -0.01 0.33 -0.18 0.22 0.10 0.00 0.00 179.97 180.44 1zgg h ASP 132 N 0.15 0.63 -0.33 0.08 3.58 -1.34 0.29 116.42 119.48 1zgg h ASP 132 Ca 0.03 -0.43 -0.08 0.00 0.42 0.00 0.00 57.03 56.97 1zgg h ASP 132 Cb 0.40 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1zgg h ASP 132 CO 0.03 0.93 -0.11 -0.08 -2.88 0.00 0.00 179.24 177.13 1zgg h GLU 133 N 0.34 0.65 -0.76 0.28 4.81 -1.15 -2.76 114.58 115.99 1zgg h GLU 133 Ca 0.06 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1zgg h GLU 133 Cb 0.71 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1zgg h GLU 133 CO 0.05 0.84 0.38 1.25 -0.73 0.00 0.00 179.01 180.80 1zgg h LEU 134 N 0.43 0.99 -0.47 1.64 5.85 -0.70 -1.28 115.31 121.76 1zgg h LEU 134 Ca 0.08 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1zgg h LEU 134 Cb 0.62 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1zgg h LEU 134 CO 0.04 0.83 0.11 -0.08 -0.34 0.00 0.00 178.44 179.00 1zgg h GLU 135 N 1.07 0.76 -0.60 1.25 4.81 -0.89 0.29 114.58 121.26 1zgg h GLU 135 Ca 0.26 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1zgg h GLU 135 Cb 0.09 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1zgg h GLU 135 CO -0.04 0.74 0.20 1.49 -0.73 0.00 0.00 179.01 180.68 1zgg h GLU 136 N 0.64 0.93 -0.37 1.92 4.81 -1.15 0.46 114.58 121.81 1zgg h GLU 136 Ca 0.15 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1zgg h GLU 136 Cb 0.33 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1zgg h GLU 136 CO 0.00 0.82 0.07 1.25 -0.73 0.00 0.00 179.01 180.42 1zgg h LEU 137 N 0.85 0.59 -1.04 1.64 5.85 -1.07 -2.57 115.31 119.55 1zgg h LEU 137 Ca 0.20 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1zgg h LEU 137 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1zgg h LEU 137 CO -0.01 0.69 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.37 1zgg h LEU 138 N 0.46 0.00 -0.79 2.25 3.38 -0.58 -0.57 115.31 119.46 1zgg h LEU 138 Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1zgg h LEU 138 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1zgg h LEU 138 CO 0.01 0.33 -0.25 0.03 0.09 0.00 0.00 178.44 178.65 1zgg h ARG 139 N 0.00 0.64 -0.08 1.13 3.08 -0.76 -1.56 114.38 116.83 1zgg h ARG 139 Ca -0.00 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 1zgg h ARG 139 Cb 0.82 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1zgg h ARG 139 CO 0.04 0.83 -0.40 1.96 -1.07 0.00 0.00 179.97 181.33 1zgg h GLN 140 N 0.56 0.17 -0.48 0.04 4.20 -0.84 -0.82 115.11 117.94 1zgg h GLN 140 Ca 0.08 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1zgg h GLN 140 Cb 0.72 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 1zgg h GLN 140 CO 0.06 0.55 0.26 -0.07 -0.67 0.00 0.00 178.83 178.96 1zgg h LEU 141 N 0.15 0.40 -0.68 1.46 4.07 -0.69 -0.97 115.31 119.05 1zgg h LEU 141 Ca 0.01 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1zgg h LEU 141 Cb 0.78 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 1zgg h LEU 141 CO 0.06 0.28 0.25 0.00 -1.08 0.00 0.00 178.44 177.95 1zgg h ALA 142 N 1.23 0.89 -0.43 1.53 0.00 -0.91 -0.01 119.26 121.55 1zgg h ALA 142 Ca 0.20 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1zgg h ALA 142 Cb 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1zgg h ALA 142 CO -0.12 0.53 0.16 -0.22 0.00 0.00 0.00 179.25 179.60 1zgg h LYS 143 N 0.97 0.33 0.25 0.00 3.64 -0.83 -0.51 116.57 120.42 1zgg h LYS 143 Ca 0.22 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1zgg h LYS 143 Cb 0.24 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1zgg h LYS 143 CO -0.01 0.22 -0.12 1.96 -2.27 0.00 0.00 179.45 179.22 1zgg h GLN 144 N 0.34 -0.33 -0.06 1.90 4.20 -0.79 -2.91 115.11 117.45 1zgg h GLN 144 Ca 0.20 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 1zgg h GLN 144 Cb 0.18 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1zgg h GLN 144 CO -0.19 -0.03 -0.30 -0.07 -0.67 0.00 0.00 178.83 177.56 1zgg h LEU 145 N -0.63 0.11 -0.48 1.46 3.38 -0.79 0.30 115.31 118.66 1zgg h LEU 145 Ca -0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1zgg h LEU 145 Cb 0.45 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1zgg h LEU 145 CO 0.06 0.42 0.24 0.11 0.09 0.00 0.00 178.44 179.36 1zgg h LYS 146 N 0.10 0.69 -0.10 1.13 1.79 -1.16 -3.25 116.57 115.78 1zgg h LYS 146 Ca 0.01 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1zgg h LYS 146 Cb 0.59 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1zgg h LYS 146 CO 0.04 0.57 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.73 1zgg h LYS 147 N 0.64 0.19 -2.07 3.15 3.64 -0.96 -3.47 116.57 117.70 1zgg h LYS 147 Ca 0.17 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1zgg h LYS 147 Cb 0.10 -0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 31.70 1zgg h LYS 147 CO -0.02 0.53 0.09 0.34 -2.27 0.00 0.00 179.45 178.11 1zgg s ASP 148 N -5.80 -0.73 -1.03 4.20 2.15 -0.05 -5.08 116.67 110.33 1zgg s ASP 148 Ca -0.15 1.39 -0.23 0.00 0.43 0.00 0.00 52.55 54.00 1zgg s ASP 148 Cb 0.04 1.41 -0.02 0.00 -0.30 0.00 0.00 42.92 44.05 1zgg s ASP 148 CO 0.71 -0.24 1.81 -0.60 -0.17 0.00 0.00 175.17 176.68 1zgg s ARG 149 N 0.43 2.94 0.00 4.34 3.52 -1.26 -3.95 118.95 124.97 1zgg s ARG 149 Ca -0.01 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1zgg s ARG 149 Cb -0.05 -5.22 0.00 0.00 -1.56 0.00 0.00 34.95 28.12 1zgg s ARG 149 CO -0.00 -3.12 0.23 0.54 -0.81 0.00 0.00 175.30 172.14