#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 1.81 -0.12 6.12 2.15 -1.26 -1.13 116.67 124.23 1zgg s ASP 2 Ca 0.00 -0.26 -0.04 0.00 0.43 0.00 0.00 52.55 52.67 1zgg s ASP 2 Cb 0.00 -0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 42.27 1zgg s ASP 2 CO 0.00 -0.27 0.04 -0.63 -0.17 0.00 0.00 175.17 174.15 1zgg s ILE 3 N 2.06 4.65 -0.32 4.11 1.01 -0.61 -0.65 121.20 131.45 1zgg s ILE 3 Ca 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 1zgg s ILE 3 Cb -0.14 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1zgg s ILE 3 CO -0.06 0.56 0.09 -0.63 0.00 0.00 0.00 174.94 174.90 1zgg s ILE 4 N -0.50 3.77 0.23 2.92 1.01 -0.31 -0.38 121.20 127.94 1zgg s ILE 4 Ca 0.10 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 1zgg s ILE 4 Cb -0.12 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.19 1zgg s ILE 4 CO 0.02 -0.09 1.01 -0.36 0.00 0.00 0.00 174.94 175.52 1zgg s PHE 5 N 1.42 3.80 -0.03 3.97 0.08 -0.38 -0.66 117.98 126.19 1zgg s PHE 5 Ca -0.01 1.80 -0.18 0.00 0.12 0.00 0.00 56.93 58.66 1zgg s PHE 5 Cb -0.19 -3.11 0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1zgg s PHE 5 CO 0.02 0.01 0.40 0.54 -0.10 0.00 0.00 175.22 176.10 1zgg s VAL 6 N -0.91 0.04 0.00 -0.44 0.11 -0.42 -1.43 120.40 117.35 1zgg s VAL 6 Ca 0.44 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1zgg s VAL 6 Cb -0.28 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1zgg s VAL 6 CO 0.35 -0.18 0.00 0.00 -3.33 0.00 0.00 175.10 171.94 1zgg h THR 8 N 0.83 0.00 -3.56 0.00 1.35 -1.92 -2.04 112.91 107.57 1zgg h THR 8 Ca 0.00 -0.25 -0.62 0.00 -0.55 0.00 0.00 66.41 64.99 1zgg h THR 8 Cb 0.00 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.26 1zgg h THR 8 CO 0.00 0.00 -0.53 -0.83 -0.25 0.00 0.00 175.52 173.91 1zgg s GLY 9 N -2.33 1.94 0.26 5.82 0.00 -1.26 -1.20 107.32 110.55 1zgg s GLY 9 Ca -0.14 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 43.66 1zgg s GLY 9 CO 0.41 0.37 1.68 -0.57 0.00 0.00 0.00 173.10 174.98 1zgg h ASN 10 N 7.51 0.05 0.12 1.64 -1.24 -1.80 -0.91 115.58 120.95 1zgg h ASN 10 Ca -0.38 0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.80 1zgg h ASN 10 Cb 1.17 0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.43 1zgg h ASN 10 CO 0.65 -0.06 0.00 0.35 -1.29 0.00 0.00 177.43 177.07 1zgg n THR 11 N -5.16 1.24 -1.72 -3.57 -2.24 -1.26 -3.10 114.28 98.48 1zgg n THR 11 Ca 0.17 0.59 -0.37 0.00 -2.27 0.00 0.00 64.05 62.18 1zgg n THR 11 Cb 0.55 -1.57 -0.05 0.00 -2.10 0.00 0.00 70.33 67.16 1zgg n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zgg n ARG 13 N 7.60 0.00 -0.21 0.00 0.63 -1.26 -4.74 116.66 118.68 1zgg n ARG 13 Ca 0.48 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.40 1zgg n ARG 13 Cb 0.43 -0.87 0.07 0.00 0.45 0.00 0.00 32.46 32.54 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 -0.58 1.04 6.15 0.02 -1.77 -0.40 113.55 118.00 1zgg h SER 14 Ca 0.00 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1zgg h SER 14 Cb 0.00 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1zgg h SER 14 CO 0.00 -0.21 -0.17 1.55 -1.14 0.00 0.00 176.83 176.86 1zgg h PRO 15 N 0.00 0.00 -0.38 3.45 0.13 -1.87 -1.06 132.00 132.27 1zgg h PRO 15 Ca 0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.40 1zgg h PRO 15 Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1zgg h PRO 15 CO -0.65 0.17 0.10 0.52 -0.23 0.00 0.00 178.00 177.92 1zgg h MET 16 N 0.00 0.60 -0.76 0.86 2.86 -1.47 -1.21 114.93 115.81 1zgg h MET 16 Ca -0.00 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1zgg h MET 16 Cb 0.74 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1zgg h MET 16 CO 0.02 0.63 0.26 0.00 1.06 0.00 0.00 176.91 178.88 1zgg h ALA 17 N 0.95 1.01 -0.18 6.32 0.00 -0.77 -0.52 119.26 126.07 1zgg h ALA 17 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1zgg h ALA 17 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1zgg h ALA 17 CO -0.00 0.67 0.12 1.49 0.00 0.00 0.00 179.25 181.53 1zgg h GLU 18 N 1.13 0.24 -0.38 0.00 4.81 -1.08 0.13 114.58 119.43 1zgg h GLU 18 Ca 0.25 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1zgg h GLU 18 Cb 0.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1zgg h GLU 18 CO -0.01 0.17 -0.16 0.00 -0.73 0.00 0.00 179.01 178.27 1zgg h ALA 19 N 1.06 0.53 -0.34 2.92 0.00 -0.90 0.49 119.26 123.01 1zgg h ALA 19 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1zgg h ALA 19 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1zgg h ALA 19 CO -0.01 0.45 0.14 -0.07 0.00 0.00 0.00 179.25 179.76 1zgg h LEU 20 N 0.58 0.47 -0.63 0.00 3.38 -1.02 -1.74 115.31 116.35 1zgg h LEU 20 Ca 0.09 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1zgg h LEU 20 Cb 0.70 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1zgg h LEU 20 CO 0.05 0.51 -0.55 0.15 0.09 0.00 0.00 178.44 178.69 1zgg h PHE 21 N 0.41 0.48 -0.24 1.13 3.57 -0.46 0.13 116.94 121.96 1zgg h PHE 21 Ca 0.11 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1zgg h PHE 21 Cb 0.18 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1zgg h PHE 21 CO -0.00 0.85 0.11 0.87 -2.23 0.00 0.00 178.31 177.90 1zgg h LYS 22 N 0.30 0.23 -0.66 1.11 1.57 -0.83 0.19 116.57 118.48 1zgg h LYS 22 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1zgg h LYS 22 Cb 1.06 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1zgg h LYS 22 CO 0.09 0.15 0.10 0.77 -0.57 0.00 0.00 179.45 179.99 1zgg h SER 23 N 0.24 1.06 -0.39 0.86 0.02 -0.73 -0.99 113.55 113.61 1zgg h SER 23 Ca 0.10 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.64 1zgg h SER 23 Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1zgg h SER 23 CO -0.08 1.06 -0.29 0.40 -1.14 0.00 0.00 176.83 176.78 1zgg h ILE 24 N 1.02 1.27 -0.60 3.27 2.04 -0.55 -1.40 117.51 122.56 1zgg h ILE 24 Ca 0.20 -1.46 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 1zgg h ILE 24 Cb 0.46 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1zgg h ILE 24 CO 0.02 0.49 0.15 0.00 0.00 0.00 0.00 178.15 178.80 1zgg h ALA 25 N 0.88 0.80 -0.59 1.87 0.00 -0.38 -0.85 119.26 120.98 1zgg h ALA 25 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1zgg h ALA 25 Cb 0.87 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1zgg h ALA 25 CO 0.08 0.51 0.24 1.49 0.00 0.00 0.00 179.25 181.56 1zgg h GLU 26 N 0.88 0.88 -0.18 0.00 4.57 -0.92 0.15 114.58 119.95 1zgg h GLU 26 Ca 0.19 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 1zgg h GLU 26 Cb 0.35 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1zgg h GLU 26 CO 0.00 0.75 -0.53 0.07 -1.18 0.00 0.00 179.01 178.12 1zgg h ARG 27 N 0.81 0.51 0.00 1.92 -0.00 -1.05 -3.16 114.38 113.41 1zgg h ARG 27 Ca 0.20 -0.31 0.00 0.00 -0.00 0.00 0.00 59.98 59.86 1zgg h ARG 27 Cb 0.20 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.20 1zgg h ARG 27 CO -0.02 0.92 -0.28 1.49 -0.00 0.00 0.00 179.97 182.08 1zgg h GLU 28 N 0.40 0.00 -0.06 0.08 4.57 -0.90 -3.48 114.58 115.20 1zgg h GLU 28 Ca 0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1zgg h GLU 28 Cb 1.06 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1zgg h GLU 28 CO 0.10 0.00 -0.01 0.41 -1.18 0.00 0.00 179.01 178.32 1zgg n GLY 29 N 1.28 0.39 3.85 1.92 0.00 0.36 -5.06 105.19 107.93 1zgg n GLY 29 Ca 0.04 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1zgg n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zgg s LEU 30 N -0.16 3.42 -0.31 0.99 1.43 -0.24 -5.03 118.68 118.78 1zgg s LEU 30 Ca 0.00 1.53 0.15 0.00 -1.03 0.00 0.00 54.13 54.77 1zgg s LEU 30 Cb 0.00 -4.49 0.47 0.00 0.03 0.00 0.00 46.19 42.20 1zgg s LEU 30 CO 0.00 -0.79 1.09 -3.20 0.23 0.00 0.00 176.35 173.67 1zgg n ASN 31 N -2.19 2.85 -4.25 2.29 5.15 -1.26 -4.49 115.26 113.35 1zgg n ASN 31 Ca 0.07 -2.89 -0.29 0.00 -0.60 0.00 0.00 54.58 50.86 1zgg n ASN 31 Cb 0.54 -0.46 0.21 0.00 -0.53 0.00 0.00 39.78 39.54 1zgg n ASN 31 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1zgg s VAL 32 N -4.11 1.81 0.14 3.44 -7.23 -1.26 -4.77 120.40 108.41 1zgg s VAL 32 Ca 0.36 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.61 1zgg s VAL 32 Cb 0.39 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1zgg s VAL 32 CO -0.03 0.00 -0.12 0.21 -0.31 0.00 0.00 175.10 174.86 1zgg s ASN 33 N -3.65 4.23 0.04 4.85 2.47 -0.29 -5.02 114.94 117.57 1zgg s ASN 33 Ca 0.68 -0.50 0.01 0.00 0.42 0.00 0.00 52.86 53.47 1zgg s ASN 33 Cb -0.14 -0.73 -0.03 0.00 -1.45 0.00 0.00 41.25 38.90 1zgg s ASN 33 CO 0.57 0.15 -0.05 0.68 -3.72 0.00 0.00 177.10 174.73 1zgg s VAL 34 N -1.38 0.35 0.23 -5.21 -7.23 -1.26 -1.57 120.40 104.33 1zgg s VAL 34 Ca 0.22 -1.14 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 1zgg s VAL 34 Cb -0.10 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 1zgg s VAL 34 CO 0.13 -0.52 0.06 -0.13 -0.31 0.00 0.00 175.10 174.33 1zgg s ARG 35 N -1.91 1.32 0.03 4.82 1.81 0.49 -4.92 118.95 120.59 1zgg s ARG 35 Ca -0.09 -1.69 0.02 0.00 -1.72 0.00 0.00 55.73 52.25 1zgg s ARG 35 Cb -0.07 -0.30 -0.02 0.00 -0.45 0.00 0.00 34.95 34.11 1zgg s ARG 35 CO -0.01 -0.23 -0.08 -1.12 -0.68 0.00 0.00 175.30 173.18 1zgg s SER 36 N -3.27 0.89 0.35 0.23 0.01 -1.26 -1.24 113.70 109.39 1zgg s SER 36 Ca 0.33 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.10 1zgg s SER 36 Cb 0.07 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1zgg s SER 36 CO 0.11 -0.11 0.55 0.00 0.41 0.00 0.00 173.24 174.20 1zgg s ALA 37 N -1.00 0.32 0.01 1.44 0.00 -0.52 -4.58 121.76 117.43 1zgg s ALA 37 Ca -0.06 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 1zgg s ALA 37 Cb -0.08 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1zgg s ALA 37 CO 0.00 -0.84 0.01 0.20 0.00 0.00 0.00 175.76 175.13 1zgg s GLY 38 N -3.18 0.14 0.58 0.00 0.00 -1.10 -3.31 107.32 100.45 1zgg s GLY 38 Ca 0.26 -0.33 0.33 0.00 0.00 0.00 0.00 44.72 44.98 1zgg s GLY 38 CO 0.17 -0.39 2.20 -0.39 0.00 0.00 0.00 173.10 174.69 1zgg h VAL 39 N 4.75 0.37 0.00 1.40 -1.51 -1.13 -0.29 116.25 119.84 1zgg h VAL 39 Ca -0.29 -0.24 -0.11 0.00 -1.23 0.00 0.00 66.70 64.83 1zgg h VAL 39 Cb 1.21 1.17 -0.23 0.00 -2.13 0.00 0.00 31.29 31.30 1zgg h VAL 39 CO 0.44 0.04 -0.80 0.49 -1.23 0.00 0.00 177.57 176.51 1zgg n PHE 40 N -3.52 0.00 -1.34 5.19 3.72 -0.34 -4.76 117.46 116.40 1zgg n PHE 40 Ca -0.02 -0.59 -0.29 0.00 -0.05 0.00 0.00 57.45 56.50 1zgg n PHE 40 Cb 0.16 -0.15 0.20 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.65 1.19 0.03 4.37 0.00 -1.12 -4.74 121.76 120.83 1zgg s ALA 41 Ca 0.28 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1zgg s ALA 41 Cb 0.31 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1zgg s ALA 41 CO -0.11 -2.97 -0.05 -1.12 0.00 0.00 0.00 175.76 171.50 1zgg s SER 42 N -4.01 0.52 0.00 0.00 0.01 -1.26 -4.13 113.70 104.83 1zgg s SER 42 Ca 0.69 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1zgg s SER 42 Cb -0.11 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1zgg s SER 42 CO 0.55 -0.25 0.32 -2.65 0.41 0.00 0.00 173.24 171.62 1zgg n PRO 43 N 1.56 0.00 -0.74 12.44 -0.02 -1.26 -2.15 135.00 144.83 1zgg n PRO 43 Ca -0.23 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.25 1zgg n PRO 43 Cb 0.55 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 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 -0.81 0.20 -4.80 2.55 5.15 -1.26 -4.67 115.26 111.62 1zgg n ASN 44 Ca 0.00 -1.92 -0.31 0.00 -0.60 0.00 0.00 54.58 51.75 1zgg n ASN 44 Cb 0.00 -0.19 0.05 0.00 -0.53 0.00 0.00 39.78 39.11 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 -1.15 1.78 0.18 8.20 0.00 -0.91 -4.91 107.32 110.51 1zgg s GLY 45 Ca 0.08 0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.81 1zgg s GLY 45 CO -0.04 0.53 0.54 -1.59 0.00 0.00 0.00 173.10 172.54 1zgg s LYS 46 N -4.79 1.35 0.18 2.90 -2.85 -1.26 -0.40 119.74 114.87 1zgg s LYS 46 Ca 0.60 -0.76 -0.31 0.00 -1.00 0.00 0.00 55.97 54.50 1zgg s LYS 46 Cb -0.15 0.54 -0.16 0.00 -2.06 0.00 0.00 37.83 35.99 1zgg s LYS 46 CO 0.51 -0.58 0.88 0.00 0.10 0.00 0.00 175.35 176.27 1zgg n ALA 47 N -0.34 -1.85 -1.48 0.59 0.00 -0.92 -4.92 120.51 111.59 1zgg n ALA 47 Ca -0.12 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 1zgg n ALA 47 Cb 0.63 -1.83 0.05 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.63 3.60 -1.58 0.00 -4.23 -1.26 -4.82 115.64 106.71 1zgg s THR 48 Ca 0.69 0.61 0.09 0.00 -1.18 0.00 0.00 61.69 61.91 1zgg s THR 48 Cb -0.91 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 69.93 1zgg s THR 48 CO 0.56 -0.59 1.11 -0.81 -0.54 0.00 0.00 174.62 174.35 1zgg n PRO 49 N -2.88 0.17 -0.01 3.99 -0.04 -1.26 -1.79 135.00 133.18 1zgg n PRO 49 Ca 0.09 0.15 -0.01 0.00 -0.04 0.00 0.00 63.50 63.69 1zgg n PRO 49 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1zgg n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1zgg n HIS 50 N -1.21 0.00 -0.03 0.54 8.25 -1.26 -4.00 115.22 117.51 1zgg n HIS 50 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 1zgg n HIS 50 Cb 0.06 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 30.99 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 0.13 0.18 -0.68 -1.41 0.00 -1.90 0.60 119.26 116.17 1zgg h ALA 51 Ca -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1zgg h ALA 51 Cb 1.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1zgg h ALA 51 CO 0.00 -0.24 0.22 -0.24 0.00 0.00 0.00 179.25 179.00 1zgg h VAL 52 N 0.06 1.25 -0.27 0.00 3.04 -1.61 -1.51 116.25 117.21 1zgg h VAL 52 Ca 0.05 -0.84 -0.16 0.00 -1.01 0.00 0.00 66.70 64.73 1zgg h VAL 52 Cb 0.17 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 29.93 1zgg h VAL 52 CO -0.00 0.33 -0.48 -0.08 -1.01 0.00 0.00 177.57 176.33 1zgg h GLU 53 N 1.00 0.74 -0.58 4.17 4.57 -1.66 0.27 114.58 123.09 1zgg h GLU 53 Ca 0.22 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1zgg h GLU 53 Cb 0.27 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1zgg h GLU 53 CO -0.01 1.05 0.35 0.00 -1.18 0.00 0.00 179.01 179.22 1zgg h ALA 54 N 0.88 0.74 0.00 2.92 0.00 -0.42 0.50 119.26 123.87 1zgg h ALA 54 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1zgg h ALA 54 Cb 1.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1zgg h ALA 54 CO 0.10 0.22 -0.18 -0.07 0.00 0.00 0.00 179.25 179.31 1zgg h LEU 55 N 0.78 0.00 -0.56 0.00 -0.00 -1.17 -1.07 115.31 113.30 1zgg h LEU 55 Ca 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.95 1zgg h LEU 55 Cb -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1zgg h LEU 55 CO -0.04 0.18 -0.28 0.15 -0.00 0.00 0.00 178.44 178.45 1zgg h PHE 56 N 0.00 0.99 -0.33 1.13 3.57 -0.39 0.91 116.94 122.82 1zgg h PHE 56 Ca -0.00 -0.26 -0.11 0.00 3.53 0.00 0.00 57.97 61.13 1zgg h PHE 56 Cb 1.11 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1zgg h PHE 56 CO 0.00 1.03 -0.26 1.49 -2.23 0.00 0.00 178.31 178.35 1zgg h GLU 57 N 0.73 0.65 0.00 1.11 4.81 -0.71 -0.57 114.58 120.60 1zgg h GLU 57 Ca 0.09 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1zgg h GLU 57 Cb 0.83 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1zgg h GLU 57 CO 0.07 0.85 0.00 1.17 -0.73 0.00 0.00 179.01 180.37 1zgg n LYS 58 N -4.10 0.17 -2.82 1.92 3.00 -0.42 -4.90 118.16 111.01 1zgg n LYS 58 Ca -0.00 0.55 -0.11 0.00 -0.00 0.00 0.00 58.31 58.75 1zgg n LYS 58 Cb 0.44 -1.94 0.05 0.00 0.00 0.00 0.00 35.03 33.58 1zgg n LYS 58 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1zgg n HIS 59 N -2.29 -1.48 0.00 5.64 -0.00 -0.22 -4.97 115.22 111.90 1zgg n HIS 59 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.72 58.31 1zgg n HIS 59 Cb 0.12 -3.84 0.00 0.00 -0.00 0.00 0.00 29.99 26.28 1zgg n HIS 59 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1zgg n ILE 60 N -2.88 0.00 -3.45 3.57 5.41 0.23 -5.02 119.36 117.23 1zgg n ILE 60 Ca -0.14 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.45 1zgg n ILE 60 Cb 0.60 -0.03 0.02 0.00 -0.71 0.00 0.00 39.64 39.51 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 -1.39 -2.60 -1.63 -1.39 0.00 -1.10 -4.92 120.51 107.48 1zgg n ALA 61 Ca 0.00 -0.13 -0.44 0.00 0.00 0.00 0.00 53.44 52.87 1zgg n ALA 61 Cb 0.14 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.23 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 -2.79 2.52 -3.59 0.00 0.00 -1.26 -4.98 117.00 106.90 1zgg n LEU 62 Ca -0.12 1.18 -0.06 0.00 0.00 0.00 0.00 56.01 57.02 1zgg n LEU 62 Cb 0.59 -1.37 -0.07 0.00 0.00 0.00 0.00 43.42 42.57 1zgg n LEU 62 CO 0.60 -0.99 0.09 0.21 0.00 0.00 0.00 177.39 177.31 1zgg s ASN 63 N -0.37 -0.53 -0.11 1.96 3.84 -1.26 -4.91 114.94 113.57 1zgg s ASN 63 Ca 0.59 1.07 -0.14 0.00 0.21 0.00 0.00 52.86 54.58 1zgg s ASN 63 Cb -0.66 1.65 0.04 0.00 -0.55 0.00 0.00 41.25 41.73 1zgg s ASN 63 CO 0.59 -0.24 0.38 -2.28 -2.79 0.00 0.00 177.10 172.77 1zgg s HIS 64 N 2.70 -0.37 -0.11 0.43 2.46 -1.26 -5.06 115.29 114.08 1zgg s HIS 64 Ca 0.00 0.85 0.01 0.00 0.47 0.00 0.00 55.06 56.39 1zgg s HIS 64 Cb -0.13 0.14 0.02 0.00 -0.13 0.00 0.00 32.58 32.49 1zgg s HIS 64 CO -0.15 -0.26 -0.13 0.08 -2.47 0.00 0.00 174.74 171.81 1zgg s VAL 65 N -0.22 1.34 1.19 0.89 1.01 -1.26 -2.16 120.40 121.19 1zgg s VAL 65 Ca -0.04 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1zgg s VAL 65 Cb -0.03 -1.26 0.29 0.00 0.00 0.00 0.00 36.38 35.38 1zgg s VAL 65 CO 0.02 0.41 0.99 -1.20 0.00 0.00 0.00 175.10 175.33 1zgg n SER 66 N 4.45 -1.80 -3.48 3.32 7.64 0.47 -4.96 113.62 119.25 1zgg n SER 66 Ca -0.17 -0.18 -0.13 0.00 1.01 0.00 0.00 58.87 59.39 1zgg n SER 66 Cb 0.51 -1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 62.42 1zgg n SER 66 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1zgg s SER 67 N -2.39 -0.55 0.29 6.43 0.01 -1.24 -4.00 113.70 112.25 1zgg s SER 67 Ca 0.69 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.95 1zgg s SER 67 Cb -0.25 0.52 -0.10 0.00 0.21 0.00 0.00 66.02 66.40 1zgg s SER 67 CO 0.65 -0.73 1.17 -2.16 0.41 0.00 0.00 173.24 172.59 1zgg s PRO 68 N -2.48 4.54 -0.27 12.44 0.04 -1.26 -2.69 135.00 145.32 1zgg s PRO 68 Ca -0.03 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1zgg s PRO 68 Cb -0.01 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1zgg s PRO 68 CO -0.03 0.07 1.65 -1.17 0.04 0.00 0.00 177.00 177.56 1zgg s LEU 69 N -1.44 3.75 0.18 -3.56 2.96 -0.13 -4.79 118.68 115.66 1zgg s LEU 69 Ca 0.46 1.45 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 1zgg s LEU 69 Cb -0.34 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.77 1zgg s LEU 69 CO 0.44 -1.40 0.01 0.42 -1.32 0.00 0.00 176.35 174.49 1zgg s THR 70 N 5.70 0.71 0.31 3.68 -4.23 -1.26 -4.82 115.64 115.72 1zgg s THR 70 Ca 0.73 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 1zgg s THR 70 Cb -0.23 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.48 1zgg s THR 70 CO 0.31 -0.44 1.71 -0.08 -0.54 0.00 0.00 174.62 175.58 1zgg h GLU 71 N 2.66 0.16 -0.57 3.99 4.81 -1.99 -1.59 114.58 122.05 1zgg h GLU 71 Ca -0.37 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 1zgg h GLU 71 Cb 1.21 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1zgg h GLU 71 CO 0.63 0.57 0.12 1.05 -0.73 0.00 0.00 179.01 180.64 1zgg h GLU 72 N 0.13 0.90 -0.32 1.92 4.11 -1.98 0.16 114.58 119.51 1zgg h GLU 72 Ca 0.01 -0.20 -0.10 0.00 0.07 0.00 0.00 59.36 59.13 1zgg h GLU 72 Cb 0.83 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1zgg h GLU 72 CO 0.06 0.82 -0.20 1.25 0.07 0.00 0.00 179.01 181.01 1zgg h LEU 73 N 0.86 0.73 -0.53 3.06 5.85 -1.71 -0.81 115.31 122.75 1zgg h LEU 73 Ca 0.18 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1zgg h LEU 73 Cb 0.34 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1zgg h LEU 73 CO 0.00 1.00 0.29 -0.03 -0.34 0.00 0.00 178.44 179.36 1zgg h MET 74 N 0.46 0.54 -0.27 1.25 4.05 -0.95 -1.03 114.93 118.98 1zgg h MET 74 Ca 0.07 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.34 1zgg h MET 74 Cb 0.75 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1zgg h MET 74 CO 0.06 0.36 -0.30 0.93 0.23 0.00 0.00 176.91 178.18 1zgg h GLU 75 N 0.56 0.55 -0.60 0.39 5.08 -0.55 -2.91 114.58 117.11 1zgg h GLU 75 Ca 0.23 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1zgg h GLU 75 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1zgg h GLU 75 CO -0.14 0.79 0.01 0.77 -1.00 0.00 0.00 179.01 179.44 1zgg h SER 76 N 0.47 1.01 -4.48 1.42 0.02 -0.64 -3.46 113.55 107.90 1zgg h SER 76 Ca 0.06 -0.28 -0.48 0.00 -0.84 0.00 0.00 61.79 60.25 1zgg h SER 76 Cb 0.76 -0.27 0.09 0.00 0.14 0.00 0.00 62.40 63.12 1zgg h SER 76 CO 0.06 1.05 0.40 0.00 -1.14 0.00 0.00 176.83 177.20 1zgg s ALA 77 N -5.04 2.82 -0.03 3.77 0.00 -0.44 -4.91 121.76 117.94 1zgg s ALA 77 Ca -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1zgg s ALA 77 Cb 0.14 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1zgg s ALA 77 CO 0.85 -1.36 0.05 -3.47 0.00 0.00 0.00 175.76 171.83 1zgg n ASP 78 N -3.12 3.11 -3.89 0.00 2.03 0.18 -4.94 116.55 109.92 1zgg n ASP 78 Ca 0.07 -0.18 -0.11 0.00 0.52 0.00 0.00 54.79 55.10 1zgg n ASP 78 Cb 0.59 1.05 -0.11 0.00 -0.72 0.00 0.00 41.12 41.94 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 -2.77 1.71 -0.03 -2.67 2.96 -0.39 -4.91 118.68 112.57 1zgg s LEU 79 Ca -0.00 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1zgg s LEU 79 Cb 0.01 0.51 0.00 0.00 0.50 0.00 0.00 46.19 47.21 1zgg s LEU 79 CO 0.07 -0.31 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.01 1zgg s VAL 80 N -1.20 0.80 -0.35 1.68 1.01 -0.24 -1.16 120.40 120.94 1zgg s VAL 80 Ca -0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1zgg s VAL 80 Cb -0.07 -0.71 0.12 0.00 0.00 0.00 0.00 36.38 35.72 1zgg s VAL 80 CO 0.01 0.25 0.18 -0.22 0.00 0.00 0.00 175.10 175.32 1zgg s LEU 81 N 0.21 1.59 0.11 3.92 0.20 0.17 -1.32 118.68 123.56 1zgg s LEU 81 Ca -0.04 -2.00 -0.26 0.00 0.69 0.00 0.00 54.13 52.52 1zgg s LEU 81 Cb -0.09 -0.65 -0.07 0.00 -0.43 0.00 0.00 46.19 44.96 1zgg s LEU 81 CO 0.01 -0.35 0.82 0.00 -0.29 0.00 0.00 176.35 176.54 1zgg s ALA 82 N 1.21 3.37 0.30 5.97 0.00 0.08 -1.30 121.76 131.40 1zgg s ALA 82 Ca 0.14 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.49 1zgg s ALA 82 Cb -0.21 -3.05 0.51 0.00 0.00 0.00 0.00 23.12 20.37 1zgg s ALA 82 CO -0.12 0.14 1.94 0.52 0.00 0.00 0.00 175.76 178.23 1zgg h MET 83 N 5.08 1.02 -4.03 0.00 0.00 -1.14 0.11 114.93 115.97 1zgg h MET 83 Ca -0.45 -0.06 -0.19 0.00 0.00 0.00 0.00 59.70 59.00 1zgg h MET 83 Cb 1.21 -0.23 -0.22 0.00 0.00 0.00 0.00 31.60 32.36 1zgg h MET 83 CO 0.69 0.67 -0.71 0.99 0.00 0.00 0.00 176.91 178.56 1zgg s THR 84 N -5.90 0.15 0.34 2.22 2.01 -1.26 -3.92 115.64 109.29 1zgg s THR 84 Ca -0.11 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.12 1zgg s THR 84 Cb 0.19 -0.28 0.12 0.00 0.01 0.00 0.00 72.50 72.55 1zgg s THR 84 CO 0.80 -0.43 1.84 1.12 -0.69 0.00 0.00 174.62 177.26 1zgg h HIS 85 N 4.80 0.37 -0.69 4.92 2.07 -1.87 -0.91 115.15 123.84 1zgg h HIS 85 Ca -0.32 -0.05 -0.05 0.00 -2.85 0.00 0.00 60.37 57.10 1zgg h HIS 85 Cb 1.21 -0.10 -0.03 0.00 2.57 0.00 0.00 27.41 31.06 1zgg h HIS 85 CO 0.63 0.50 0.24 0.37 -3.07 0.00 0.00 177.93 176.60 1zgg h GLN 86 N 0.32 1.06 -0.56 5.12 5.75 -1.99 -1.44 115.11 123.37 1zgg h GLN 86 Ca 0.06 -0.22 -0.11 0.00 -0.15 0.00 0.00 58.65 58.23 1zgg h GLN 86 Cb 0.48 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1zgg h GLN 86 CO 0.03 0.90 -0.08 0.45 -2.65 0.00 0.00 178.83 177.48 1zgg h HIS 87 N 1.00 1.15 -0.51 3.99 3.86 -1.63 -0.17 115.15 122.83 1zgg h HIS 87 Ca 0.22 -0.23 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1zgg h HIS 87 Cb 0.27 -0.29 -0.07 0.00 1.06 0.00 0.00 27.41 28.38 1zgg h HIS 87 CO 0.02 1.05 0.11 -0.22 0.86 0.00 0.00 177.93 179.75 1zgg h LYS 88 N 0.93 0.25 -0.15 2.45 3.64 -1.06 -1.03 116.57 121.59 1zgg h LYS 88 Ca 0.15 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1zgg h LYS 88 Cb 0.65 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1zgg h LYS 88 CO 0.04 0.16 -0.31 1.96 -2.27 0.00 0.00 179.45 179.03 1zgg h GLN 89 N 0.25 0.30 -0.37 1.90 4.20 -0.59 -1.39 115.11 119.41 1zgg h GLN 89 Ca 0.26 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1zgg h GLN 89 Cb 0.34 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1zgg h GLN 89 CO -0.32 0.59 0.15 0.82 -0.67 0.00 0.00 178.83 179.39 1zgg h ILE 90 N 0.26 1.19 -0.22 2.54 2.04 -0.25 0.37 117.51 123.45 1zgg h ILE 90 Ca 0.03 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1zgg h ILE 90 Cb 0.69 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1zgg h ILE 90 CO 0.05 0.21 0.02 0.40 0.00 0.00 0.00 178.15 178.84 1zgg h ILE 91 N 0.46 0.87 -0.68 -0.67 2.04 -0.75 -0.11 117.51 118.66 1zgg h ILE 91 Ca 0.12 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1zgg h ILE 91 Cb 0.19 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1zgg h ILE 91 CO -0.01 0.02 0.29 0.00 0.00 0.00 0.00 178.15 178.45 1zgg h ALA 92 N 1.18 1.22 -0.55 1.87 0.00 -1.10 -1.55 119.26 120.34 1zgg h ALA 92 Ca 0.10 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1zgg h ALA 92 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1zgg h ALA 92 CO -0.16 0.58 -0.11 0.77 0.00 0.00 0.00 179.25 180.33 1zgg h SER 93 N 0.98 1.03 0.54 0.00 0.02 -0.01 0.18 113.55 116.28 1zgg h SER 93 Ca 0.23 -0.34 -0.20 0.00 -0.84 0.00 0.00 61.79 60.64 1zgg h SER 93 Cb 0.16 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1zgg h SER 93 CO -0.02 1.14 -0.90 0.06 -1.14 0.00 0.00 176.83 175.97 1zgg h GLN 94 N 0.92 0.24 -0.02 3.45 3.07 -0.73 -3.30 115.11 118.73 1zgg h GLN 94 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 58.65 58.62 1zgg h GLN 94 Cb 0.67 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1zgg h GLN 94 CO 0.05 0.99 -0.06 1.19 0.09 0.00 0.00 178.83 181.09 1zgg n PHE 95 N -3.67 0.00 -1.40 0.06 3.72 -0.61 -4.98 117.46 110.58 1zgg n PHE 95 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1zgg n PHE 95 Cb 0.82 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 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 1.31 0.59 3.90 1.37 0.00 -0.61 -4.07 105.19 107.68 1zgg n GLY 96 Ca 0.15 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.87 -4.55 0.00 1.61 0.63 0.53 -4.88 116.66 109.13 1zgg n ARG 97 Ca 0.00 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1zgg n ARG 97 Cb 0.38 -5.13 0.00 0.00 0.45 0.00 0.00 32.46 28.16 1zgg n ARG 97 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1zgg n TYR 98 N -4.46 0.00 0.18 -0.14 4.19 -1.26 -4.42 117.16 111.25 1zgg n TYR 98 Ca -0.13 -0.09 0.18 0.00 3.31 0.00 0.00 57.90 61.17 1zgg n TYR 98 Cb 0.60 -0.11 0.73 0.00 0.49 0.00 0.00 39.34 41.06 1zgg n TYR 98 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 1zgg h ARG 99 N 0.33 0.00 -0.63 2.98 2.43 -1.89 -3.24 114.38 114.35 1zgg h ARG 99 Ca 0.00 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 1zgg h ARG 99 Cb 0.45 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1zgg h ARG 99 CO 0.00 0.00 0.45 0.22 -1.51 0.00 0.00 179.97 179.13 1zgg h ASP 100 N 0.00 0.11 -0.32 -3.80 3.58 -2.01 -1.08 116.42 112.91 1zgg h ASP 100 Ca 0.12 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1zgg h ASP 100 Cb 1.03 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1zgg h ASP 100 CO -0.00 0.06 0.00 2.29 -2.88 0.00 0.00 179.24 178.71 1zgg n LYS 101 N -4.40 2.21 -4.99 0.28 2.85 -1.22 -4.99 118.16 107.91 1zgg n LYS 101 Ca 0.12 -2.02 -0.32 0.00 -1.05 0.00 0.00 58.31 55.04 1zgg n LYS 101 Cb 0.62 -1.39 -0.15 0.00 -0.65 0.00 0.00 35.03 33.46 1zgg n LYS 101 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1zgg s VAL 102 N -1.22 2.63 0.03 0.58 -7.23 -0.41 -1.08 120.40 113.70 1zgg s VAL 102 Ca 0.30 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1zgg s VAL 102 Cb 0.17 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1zgg s VAL 102 CO 0.24 0.55 -0.06 -0.36 -0.31 0.00 0.00 175.10 175.16 1zgg s PHE 103 N 0.15 0.52 0.61 2.82 0.40 -0.44 -4.96 117.98 117.07 1zgg s PHE 103 Ca -0.10 -0.49 -0.13 0.00 -0.60 0.00 0.00 56.93 55.61 1zgg s PHE 103 Cb -0.16 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.01 1zgg s PHE 103 CO 0.06 -0.12 1.03 0.99 0.70 0.00 0.00 175.22 177.88 1zgg s THR 104 N -1.36 4.35 0.13 0.64 2.01 -1.26 -0.74 115.64 119.41 1zgg s THR 104 Ca -0.12 0.91 -0.20 0.00 0.31 0.00 0.00 61.69 62.60 1zgg s THR 104 Cb -0.10 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1zgg s THR 104 CO -0.00 -0.85 1.73 0.25 -0.69 0.00 0.00 174.62 175.05 1zgg h LEU 105 N 0.03 -0.06 0.00 4.42 5.85 -0.86 -0.50 115.31 124.19 1zgg h LEU 105 Ca -0.45 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.14 1zgg h LEU 105 Cb 1.20 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1zgg h LEU 105 CO 0.60 -0.00 -0.82 0.11 -0.34 0.00 0.00 178.44 177.99 1zgg h LYS 106 N 0.07 0.00 -0.51 1.25 6.56 -1.59 -3.35 116.57 119.00 1zgg h LYS 106 Ca 0.09 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.72 1zgg h LYS 106 Cb 0.10 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.72 1zgg h LYS 106 CO -0.14 0.72 0.27 1.49 -2.06 0.00 0.00 179.45 179.73 1zgg h GLU 107 N 0.00 0.51 0.00 3.15 4.81 -0.46 0.17 114.58 122.76 1zgg h GLU 107 Ca -0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1zgg h GLU 107 Cb 1.60 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 1zgg h GLU 107 CO 0.10 0.34 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.74 1zgg h TYR 108 N 0.53 0.00 0.00 0.92 3.20 -1.26 -2.03 116.97 118.33 1zgg h TYR 108 Ca 0.22 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 1zgg h TYR 108 Cb 0.10 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1zgg h TYR 108 CO -0.09 0.06 -1.42 0.28 -1.64 0.00 0.00 178.16 175.35 1zgg n VAL 109 N -3.88 0.31 0.00 1.81 0.31 -0.70 -4.73 118.33 111.44 1zgg n VAL 109 Ca -0.03 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1zgg n VAL 109 Cb 0.15 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1zgg n VAL 109 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1zgg n THR 110 N -2.08 0.00 -1.00 2.52 -2.24 0.52 -5.01 114.28 106.99 1zgg n THR 110 Ca -0.08 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1zgg n THR 110 Cb 0.54 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1zgg n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zgg n GLY 111 N 1.40 0.56 2.92 3.38 0.00 -0.76 -5.01 105.19 107.67 1zgg n GLY 111 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.13 0.37 0.50 1.61 0.01 -1.26 -4.95 113.70 107.84 1zgg s SER 112 Ca 0.00 -0.05 -0.23 0.00 1.31 0.00 0.00 55.95 56.97 1zgg s SER 112 Cb 0.00 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 1zgg s SER 112 CO 0.00 0.03 1.37 -1.00 0.41 0.00 0.00 173.24 174.06 1zgg s HIS 113 N -0.02 2.41 0.00 2.43 0.09 -1.26 -1.75 115.29 117.19 1zgg s HIS 113 Ca 0.01 1.34 0.00 0.00 -0.00 0.00 0.00 55.06 56.40 1zgg s HIS 113 Cb -0.02 -3.82 0.00 0.00 -0.00 0.00 0.00 32.58 28.74 1zgg s HIS 113 CO -0.00 -2.81 0.00 0.41 -0.00 0.00 0.00 174.74 172.34 1zgg n GLY 114 N 0.65 0.78 3.22 -2.22 0.00 -1.26 -4.82 105.19 101.55 1zgg n GLY 114 Ca 0.08 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.28 0.91 1.61 2.15 -1.26 -1.79 116.67 119.56 1zgg s ASP 115 Ca 0.00 -1.10 -0.13 0.00 0.43 0.00 0.00 52.55 51.74 1zgg s ASP 115 Cb 0.00 0.09 0.14 0.00 -0.30 0.00 0.00 42.92 42.85 1zgg s ASP 115 CO 0.00 -0.51 1.17 -0.69 -0.17 0.00 0.00 175.17 174.97 1zgg s VAL 116 N -3.60 1.98 0.02 1.11 1.01 -1.26 -4.89 120.40 114.76 1zgg s VAL 116 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 61.98 61.80 1zgg s VAL 116 Cb 0.05 -2.82 -0.17 0.00 0.00 0.00 0.00 36.38 33.44 1zgg s VAL 116 CO 0.01 0.00 1.40 -0.11 0.00 0.00 0.00 175.10 176.40 1zgg n LEU 117 N -3.72 1.71 -4.43 3.92 -0.00 -1.26 -4.95 117.00 108.27 1zgg n LEU 117 Ca 0.08 1.11 -0.44 0.00 -0.00 0.00 0.00 56.01 56.77 1zgg n LEU 117 Cb 0.60 -1.17 -0.07 0.00 -0.00 0.00 0.00 43.42 42.78 1zgg n LEU 117 CO 0.55 -0.97 0.26 -0.62 -0.00 0.00 0.00 177.39 176.61 1zgg s ASP 118 N 1.01 6.20 0.00 1.96 2.15 -1.26 -4.83 116.67 121.90 1zgg s ASP 118 Ca 0.87 -1.03 0.27 0.00 0.43 0.00 0.00 52.55 53.10 1zgg s ASP 118 Cb -0.99 -2.26 0.96 0.00 -0.30 0.00 0.00 42.92 40.33 1zgg s ASP 118 CO 0.51 -0.83 1.69 -0.81 -0.17 0.00 0.00 175.17 175.56 1zgg n PRO 119 N 5.92 1.74 -1.48 4.34 -0.04 -1.26 -4.98 135.00 139.24 1zgg n PRO 119 Ca -0.08 -1.07 -0.51 0.00 -0.04 0.00 0.00 63.50 61.80 1zgg n PRO 119 Cb 0.45 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.30 1.68 -0.56 0.54 7.35 -1.26 -0.30 117.46 125.21 1zgg n PHE 120 Ca 0.18 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 57.16 1zgg n PHE 120 Cb 0.38 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.68 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 6.25 0.76 3.90 7.13 0.00 -1.26 -5.07 105.19 116.90 1zgg n GLY 121 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.68 1.79 0.88 -0.02 0.00 0.59 -5.08 107.32 103.81 1zgg s GLY 122 Ca 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 44.72 43.32 1zgg s GLY 122 CO 0.00 -0.45 1.12 -1.35 0.00 0.00 0.00 173.10 172.42 1zgg s SER 123 N -4.85 3.71 0.46 1.64 1.04 -1.26 -4.89 113.70 109.56 1zgg s SER 123 Ca 0.76 1.14 0.21 0.00 0.48 0.00 0.00 55.95 58.54 1zgg s SER 123 Cb -0.03 -1.78 1.22 0.00 0.10 0.00 0.00 66.02 65.53 1zgg s SER 123 CO 0.54 -2.44 1.90 -0.29 0.98 0.00 0.00 173.24 173.93 1zgg h ILE 124 N -1.42 0.68 -0.64 -1.02 6.09 -1.97 -0.28 117.51 118.97 1zgg h ILE 124 Ca -0.50 -0.09 -0.03 0.00 -1.37 0.00 0.00 64.86 62.88 1zgg h ILE 124 Cb 1.31 0.41 -0.03 0.00 0.47 0.00 0.00 36.82 38.97 1zgg h ILE 124 CO 0.60 0.05 0.28 -0.78 -3.07 0.00 0.00 178.15 175.23 1zgg h ASP 125 N 0.25 0.83 -0.36 2.19 3.58 -1.97 0.24 116.42 121.18 1zgg h ASP 125 Ca 0.40 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.62 1zgg h ASP 125 Cb 1.20 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1zgg h ASP 125 CO -0.10 0.73 -0.30 0.40 -2.88 0.00 0.00 179.24 177.09 1zgg h ILE 126 N 0.91 1.28 -0.30 2.25 1.08 -1.40 -0.28 117.51 121.05 1zgg h ILE 126 Ca 0.22 -1.46 -0.07 0.00 -0.39 0.00 0.00 64.86 63.16 1zgg h ILE 126 Cb 0.13 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 1zgg h ILE 126 CO -0.02 0.48 -0.11 1.88 -0.69 0.00 0.00 178.15 179.69 1zgg h TYR 127 N 0.64 0.54 -0.36 1.37 0.05 -1.26 -1.35 116.97 116.60 1zgg h TYR 127 Ca 0.07 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 1zgg h TYR 127 Cb 0.88 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 1zgg h TYR 127 CO 0.06 0.60 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.53 1zgg h LYS 128 N 0.47 0.65 -0.79 4.88 3.11 -0.10 0.51 116.57 125.31 1zgg h LYS 128 Ca 0.09 -0.22 -0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1zgg h LYS 128 Cb 0.47 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.61 1zgg h LYS 128 CO 0.03 0.78 0.49 1.96 -2.81 0.00 0.00 179.45 179.89 1zgg h GLN 129 N 0.46 1.06 -0.16 1.90 4.20 -0.83 -2.56 115.11 119.18 1zgg h GLN 129 Ca 0.10 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1zgg h GLN 129 Cb 0.50 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1zgg h GLN 129 CO 0.02 0.73 0.08 1.15 -0.67 0.00 0.00 178.83 180.14 1zgg h THR 130 N 1.07 1.12 -0.27 -0.54 2.02 -1.00 -2.89 112.91 112.42 1zgg h THR 130 Ca 0.28 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1zgg h THR 130 Cb -0.06 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1zgg h THR 130 CO -0.06 0.11 -0.02 0.08 0.37 0.00 0.00 175.52 176.01 1zgg h ARG 131 N 0.13 0.41 -0.34 6.66 0.11 -0.58 0.80 114.38 121.57 1zgg h ARG 131 Ca 0.05 -0.08 -0.07 0.00 0.10 0.00 0.00 59.98 59.99 1zgg h ARG 131 Cb 0.11 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 1zgg h ARG 131 CO -0.01 0.45 -0.06 0.22 0.10 0.00 0.00 179.97 180.68 1zgg h ASP 132 N 0.40 0.64 -0.34 0.08 3.58 -1.35 -0.21 116.42 119.21 1zgg h ASP 132 Ca 0.09 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.12 1zgg h ASP 132 Cb 0.29 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1zgg h ASP 132 CO 0.01 0.84 -0.08 -0.08 -2.88 0.00 0.00 179.24 177.05 1zgg h GLU 133 N 0.43 0.65 -0.83 0.28 4.81 -1.20 -2.76 114.58 115.97 1zgg h GLU 133 Ca 0.09 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1zgg h GLU 133 Cb 0.54 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1zgg h GLU 133 CO 0.03 0.82 0.42 1.25 -0.73 0.00 0.00 179.01 180.80 1zgg h LEU 134 N 0.44 1.07 -0.53 1.64 5.85 -0.78 -1.34 115.31 121.66 1zgg h LEU 134 Ca 0.09 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1zgg h LEU 134 Cb 0.58 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1zgg h LEU 134 CO 0.03 0.89 0.05 -0.08 -0.34 0.00 0.00 178.44 178.99 1zgg h GLU 135 N 1.17 0.90 -0.56 1.25 4.81 -0.99 0.19 114.58 121.35 1zgg h GLU 135 Ca 0.29 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1zgg h GLU 135 Cb 0.09 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1zgg h GLU 135 CO -0.04 0.89 0.23 1.49 -0.73 0.00 0.00 179.01 180.86 1zgg h GLU 136 N 0.78 0.82 -0.36 1.92 4.57 -1.13 -0.17 114.58 121.01 1zgg h GLU 136 Ca 0.16 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1zgg h GLU 136 Cb 0.45 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1zgg h GLU 136 CO 0.02 0.70 0.10 1.25 -1.18 0.00 0.00 179.01 179.90 1zgg h LEU 137 N 0.76 0.54 -1.09 1.64 5.85 -1.11 -2.98 115.31 118.91 1zgg h LEU 137 Ca 0.19 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1zgg h LEU 137 Cb 0.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1zgg h LEU 137 CO -0.02 0.62 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.37 1zgg h LEU 138 N 0.43 0.00 -0.77 2.25 4.07 -0.52 -0.73 115.31 120.04 1zgg h LEU 138 Ca 0.11 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.96 1zgg h LEU 138 Cb 0.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1zgg h LEU 138 CO -0.00 0.27 -0.30 0.03 -1.08 0.00 0.00 178.44 177.36 1zgg h ARG 139 N 0.00 0.60 -0.61 1.13 3.08 -0.95 -1.59 114.38 116.03 1zgg h ARG 139 Ca -0.00 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 1zgg h ARG 139 Cb 0.77 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 1zgg h ARG 139 CO 0.03 0.83 0.10 1.96 -1.07 0.00 0.00 179.97 181.82 1zgg h GLN 140 N 0.52 0.99 -0.52 0.04 4.20 -1.04 -1.92 115.11 117.38 1zgg h GLN 140 Ca 0.06 -0.25 0.07 0.00 0.06 0.00 0.00 58.65 58.60 1zgg h GLN 140 Cb 0.77 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.36 1zgg h GLN 140 CO 0.06 0.92 0.18 -0.07 -0.67 0.00 0.00 178.83 179.25 1zgg h LEU 141 N 0.94 0.17 -0.91 1.46 4.07 -0.89 -1.25 115.31 118.90 1zgg h LEU 141 Ca 0.19 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 1zgg h LEU 141 Cb 0.41 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 1zgg h LEU 141 CO 0.01 0.12 0.52 0.00 -1.08 0.00 0.00 178.44 178.01 1zgg h ALA 142 N 1.35 1.16 -0.45 1.53 0.00 -0.90 -1.19 119.26 120.76 1zgg h ALA 142 Ca 0.25 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1zgg h ALA 142 Cb 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1zgg h ALA 142 CO -0.26 0.64 0.26 0.87 0.00 0.00 0.00 179.25 180.75 1zgg h LYS 143 N 1.26 0.50 -0.46 0.00 1.57 -0.57 -0.57 116.57 118.30 1zgg h LYS 143 Ca 0.32 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1zgg h LYS 143 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1zgg h LYS 143 CO -0.06 0.33 0.23 1.96 -0.57 0.00 0.00 179.45 181.34 1zgg h GLN 144 N 0.51 0.66 -0.42 3.15 4.20 -0.39 -0.20 115.11 122.63 1zgg h GLN 144 Ca 0.19 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 1zgg h GLN 144 Cb 0.04 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1zgg h GLN 144 CO -0.10 0.55 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.30 1zgg h LEU 145 N 0.60 0.93 -1.38 1.46 3.38 -1.03 -1.92 115.31 117.35 1zgg h LEU 145 Ca 0.16 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1zgg h LEU 145 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1zgg h LEU 145 CO -0.02 1.14 0.43 0.11 0.09 0.00 0.00 178.44 180.19 1zgg h LYS 146 N 0.72 0.83 0.06 1.13 1.79 -0.91 0.10 116.57 120.28 1zgg h LYS 146 Ca 0.09 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1zgg h LYS 146 Cb 0.81 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1zgg h LYS 146 CO 0.07 0.55 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.74 1zgg h LYS 147 N 0.85 -0.08 0.00 3.15 3.64 -0.56 -3.42 116.57 120.15 1zgg h LYS 147 Ca 0.24 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1zgg h LYS 147 Cb -0.06 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 1zgg h LYS 147 CO -0.06 0.34 -0.37 -3.47 -2.27 0.00 0.00 179.45 173.62 1zgg n ASP 148 N -4.92 0.03 0.00 4.20 2.03 -0.76 -5.02 116.55 112.10 1zgg n ASP 148 Ca -0.08 -1.66 0.00 0.00 0.52 0.00 0.00 54.79 53.57 1zgg n ASP 148 Cb 0.23 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1zgg n ASP 148 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1zgg n ARG 149 N 0.05 0.00 0.00 -0.67 0.63 0.35 -4.99 116.66 112.03 1zgg n ARG 149 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1zgg n ARG 149 Cb 0.68 -2.95 0.00 0.00 0.45 0.00 0.00 32.46 30.64 1zgg n ARG 149 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66