#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 0.31 0.01 6.12 -1.08 -1.26 -0.91 116.67 119.86 1zgg s ASP 2 Ca 0.00 0.25 0.07 0.00 -0.52 0.00 0.00 52.55 52.35 1zgg s ASP 2 Cb 0.00 0.14 -0.02 0.00 -1.46 0.00 0.00 42.92 41.58 1zgg s ASP 2 CO 0.00 -0.19 -0.23 -0.63 0.52 0.00 0.00 175.17 174.65 1zgg s ILE 3 N 1.61 1.82 -0.27 4.11 1.01 -0.48 -0.78 121.20 128.21 1zgg s ILE 3 Ca -0.04 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.55 1zgg s ILE 3 Cb -0.12 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 40.88 1zgg s ILE 3 CO -0.05 0.41 -0.09 -0.63 0.00 0.00 0.00 174.94 174.58 1zgg s ILE 4 N -0.64 2.21 0.11 2.92 1.01 -0.30 -0.29 121.20 126.23 1zgg s ILE 4 Ca 0.09 -1.73 -0.30 0.00 0.00 0.00 0.00 60.65 58.71 1zgg s ILE 4 Cb -0.09 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.97 1zgg s ILE 4 CO 0.00 -0.11 1.16 -0.36 0.00 0.00 0.00 174.94 175.64 1zgg s PHE 5 N 1.08 3.49 -0.15 3.97 0.08 -0.43 -0.38 117.98 125.64 1zgg s PHE 5 Ca -0.06 1.42 -0.06 0.00 0.12 0.00 0.00 56.93 58.35 1zgg s PHE 5 Cb -0.20 -3.37 0.07 0.00 -0.57 0.00 0.00 43.02 38.95 1zgg s PHE 5 CO -0.05 -1.03 0.31 0.54 -0.10 0.00 0.00 175.22 174.89 1zgg s VAL 6 N 0.50 -0.35 0.10 -0.44 0.11 -0.30 -1.48 120.40 118.53 1zgg s VAL 6 Ca 0.55 0.21 0.04 0.00 -2.93 0.00 0.00 61.98 59.85 1zgg s VAL 6 Cb -0.30 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1zgg s VAL 6 CO 0.32 0.09 -0.11 0.00 -3.33 0.00 0.00 175.10 172.07 1zgg h THR 8 N 3.65 0.71 -3.35 0.00 2.02 -1.91 -3.04 112.91 110.99 1zgg h THR 8 Ca -0.38 -0.18 -0.66 0.00 0.77 0.00 0.00 66.41 65.96 1zgg h THR 8 Cb 1.19 0.13 -0.29 0.00 -1.74 0.00 0.00 68.15 67.45 1zgg h THR 8 CO 0.51 0.10 -0.74 -0.83 0.37 0.00 0.00 175.52 174.92 1zgg s GLY 9 N -3.43 1.58 0.31 2.16 0.00 -1.26 -1.38 107.32 105.30 1zgg s GLY 9 Ca -0.12 -1.16 0.07 0.00 0.00 0.00 0.00 44.72 43.51 1zgg s GLY 9 CO 0.77 0.38 1.74 -0.57 0.00 0.00 0.00 173.10 175.42 1zgg h ASN 10 N 8.03 0.65 0.02 1.64 -1.24 -1.71 -1.17 115.58 121.79 1zgg h ASN 10 Ca -0.42 0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.72 1zgg h ASN 10 Cb 1.16 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1zgg h ASN 10 CO 0.61 0.14 0.00 0.71 -1.29 0.00 0.00 177.43 177.60 1zgg h THR 11 N 0.60 0.00 0.00 -3.57 1.35 -1.90 -3.01 112.91 106.39 1zgg h THR 11 Ca 0.61 -0.01 -0.62 0.00 -0.55 0.00 0.00 66.41 65.84 1zgg h THR 11 Cb 1.09 0.84 0.02 0.00 -1.73 0.00 0.00 68.15 68.36 1zgg h THR 11 CO -0.45 0.00 2.75 0.00 -0.25 0.00 0.00 175.52 177.57 1zgg n ARG 13 N 5.85 0.00 -0.22 0.00 0.63 -1.25 -4.75 116.66 116.91 1zgg n ARG 13 Ca 0.52 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.46 1zgg n ARG 13 Cb 0.33 -0.45 0.13 0.00 0.45 0.00 0.00 32.46 32.92 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 0.26 1.03 6.15 0.02 -1.76 -0.54 113.55 118.71 1zgg h SER 14 Ca 0.00 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1zgg h SER 14 Cb 0.00 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1zgg h SER 14 CO 0.00 0.15 -0.32 1.55 -1.14 0.00 0.00 176.83 177.06 1zgg h PRO 15 N 0.44 0.00 -0.18 3.45 0.13 -1.89 -0.98 132.00 132.97 1zgg h PRO 15 Ca 0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.45 1zgg h PRO 15 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1zgg h PRO 15 CO -0.32 0.32 0.08 0.52 -0.23 0.00 0.00 178.00 178.38 1zgg h MET 16 N 0.00 0.27 -0.71 0.86 2.86 -1.58 -1.25 114.93 115.38 1zgg h MET 16 Ca -0.00 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1zgg h MET 16 Cb 0.93 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 1zgg h MET 16 CO 0.04 0.32 0.25 0.00 1.06 0.00 0.00 176.91 178.58 1zgg h ALA 17 N 0.94 1.09 0.05 6.32 0.00 -0.83 0.10 119.26 126.93 1zgg h ALA 17 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1zgg h ALA 17 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1zgg h ALA 17 CO -0.01 0.63 -0.06 1.49 0.00 0.00 0.00 179.25 181.31 1zgg h GLU 18 N 1.05 -0.12 -0.49 0.00 4.81 -1.08 0.52 114.58 119.26 1zgg h GLU 18 Ca 0.24 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1zgg h GLU 18 Cb 0.25 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1zgg h GLU 18 CO -0.01 -0.08 -0.06 0.00 -0.73 0.00 0.00 179.01 178.13 1zgg h ALA 19 N 0.82 0.67 -0.45 2.92 0.00 -0.74 0.18 119.26 122.66 1zgg h ALA 19 Ca 0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1zgg h ALA 19 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1zgg h ALA 19 CO -0.03 0.53 -0.22 1.25 0.00 0.00 0.00 179.25 180.79 1zgg h LEU 20 N 0.77 0.97 -0.56 0.00 6.46 -0.93 -1.65 115.31 120.37 1zgg h LEU 20 Ca 0.13 -0.40 -0.15 0.00 -0.12 0.00 0.00 57.88 57.34 1zgg h LEU 20 Cb 0.59 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1zgg h LEU 20 CO 0.04 1.16 -0.52 0.15 -0.62 0.00 0.00 178.44 178.65 1zgg h PHE 21 N 0.79 0.68 -0.56 1.25 3.57 -0.62 -0.49 116.94 121.56 1zgg h PHE 21 Ca 0.10 -0.23 0.05 0.00 3.53 0.00 0.00 57.97 61.42 1zgg h PHE 21 Cb 0.79 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1zgg h PHE 21 CO 0.06 0.95 0.29 0.87 -2.23 0.00 0.00 178.31 178.25 1zgg h LYS 22 N 0.43 0.55 -0.51 1.11 1.57 -0.82 0.23 116.57 119.12 1zgg h LYS 22 Ca 0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1zgg h LYS 22 Cb 1.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1zgg h LYS 22 CO 0.10 0.36 0.21 0.77 -0.57 0.00 0.00 179.45 180.32 1zgg h SER 23 N 0.56 0.69 -0.52 0.86 0.02 -0.89 -0.96 113.55 113.32 1zgg h SER 23 Ca 0.25 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1zgg h SER 23 Cb 0.15 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1zgg h SER 23 CO -0.16 0.66 -0.08 0.40 -1.14 0.00 0.00 176.83 176.51 1zgg h ILE 24 N 0.68 1.27 -0.59 3.27 2.04 -0.60 -1.21 117.51 122.36 1zgg h ILE 24 Ca 0.17 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1zgg h ILE 24 Cb 0.18 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1zgg h ILE 24 CO -0.02 0.43 0.24 0.00 0.00 0.00 0.00 178.15 178.81 1zgg h ALA 25 N 1.00 1.32 -0.56 1.87 0.00 -0.31 -0.61 119.26 121.97 1zgg h ALA 25 Ca 0.15 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1zgg h ALA 25 Cb 0.63 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1zgg h ALA 25 CO 0.04 0.51 -0.03 1.49 0.00 0.00 0.00 179.25 181.26 1zgg h GLU 26 N 0.84 1.00 -0.40 0.00 4.57 -0.67 0.19 114.58 120.12 1zgg h GLU 26 Ca 0.20 -0.32 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1zgg h GLU 26 Cb 0.15 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1zgg h GLU 26 CO -0.02 1.00 0.22 0.00 -1.18 0.00 0.00 179.01 179.04 1zgg h ARG 27 N 0.91 0.44 0.00 1.92 2.47 -0.22 -3.14 114.38 116.76 1zgg h ARG 27 Ca 0.16 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1zgg h ARG 27 Cb 0.57 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1zgg h ARG 27 CO 0.03 0.29 -0.44 0.93 0.56 0.00 0.00 179.97 181.35 1zgg h GLU 28 N 0.45 0.00 -1.86 0.04 4.39 -0.93 -3.47 114.58 113.20 1zgg h GLU 28 Ca 0.16 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.63 1zgg h GLU 28 Cb 0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1zgg h GLU 28 CO -0.09 0.00 -0.31 0.41 -1.16 0.00 0.00 179.01 177.87 1zgg n GLY 29 N 1.25 -0.10 3.65 -3.84 0.00 0.49 -4.99 105.19 101.66 1zgg n GLY 29 Ca 0.03 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.48 4.05 -0.52 0.99 0.20 -0.21 -4.99 118.68 114.73 1zgg s LEU 30 Ca 0.03 1.21 -0.28 0.00 0.69 0.00 0.00 54.13 55.78 1zgg s LEU 30 Cb -0.01 -3.46 -0.00 0.00 -0.43 0.00 0.00 46.19 42.28 1zgg s LEU 30 CO 0.04 -0.70 1.60 0.21 -0.29 0.00 0.00 176.35 177.21 1zgg s ASN 31 N 1.36 5.89 0.19 3.68 2.47 -1.26 -4.77 114.94 122.49 1zgg s ASN 31 Ca 0.42 0.54 -0.05 0.00 0.42 0.00 0.00 52.86 54.20 1zgg s ASN 31 Cb -0.14 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.09 1zgg s ASN 31 CO 0.09 -1.85 0.21 0.68 -3.72 0.00 0.00 177.10 172.51 1zgg s VAL 32 N 6.91 0.04 0.10 -5.21 -7.23 -1.26 -4.59 120.40 109.16 1zgg s VAL 32 Ca 0.62 -1.75 0.10 0.00 -1.81 0.00 0.00 61.98 59.14 1zgg s VAL 32 Cb -0.14 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1zgg s VAL 32 CO 0.26 -0.16 -0.26 0.21 -0.31 0.00 0.00 175.10 174.84 1zgg s ASN 33 N -3.07 3.13 0.03 4.85 2.47 -0.09 -5.00 114.94 117.26 1zgg s ASN 33 Ca 0.28 -0.68 0.03 0.00 0.42 0.00 0.00 52.86 52.90 1zgg s ASN 33 Cb 0.05 -0.23 -0.02 0.00 -1.45 0.00 0.00 41.25 39.60 1zgg s ASN 33 CO 0.07 0.19 -0.08 0.68 -3.72 0.00 0.00 177.10 174.23 1zgg s VAL 34 N -0.99 0.61 0.28 -5.21 -7.23 -1.26 -1.38 120.40 105.22 1zgg s VAL 34 Ca 0.12 -0.87 0.03 0.00 -1.81 0.00 0.00 61.98 59.45 1zgg s VAL 34 Cb -0.10 -0.62 -0.06 0.00 0.56 0.00 0.00 36.38 36.17 1zgg s VAL 34 CO 0.04 -0.20 0.06 -0.13 -0.31 0.00 0.00 175.10 174.56 1zgg s ARG 35 N -1.17 1.48 -0.02 4.82 1.81 0.61 -4.93 118.95 121.55 1zgg s ARG 35 Ca -0.05 -1.80 -0.07 0.00 -1.72 0.00 0.00 55.73 52.09 1zgg s ARG 35 Cb -0.08 -0.56 0.01 0.00 -0.45 0.00 0.00 34.95 33.87 1zgg s ARG 35 CO 0.00 -0.21 0.16 -1.54 -0.68 0.00 0.00 175.30 173.03 1zgg s SER 36 N -3.38 -0.06 0.13 0.23 1.04 -1.26 -1.31 113.70 109.09 1zgg s SER 36 Ca 0.35 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.78 1zgg s SER 36 Cb 0.08 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1zgg s SER 36 CO 0.13 -0.25 0.22 0.00 0.98 0.00 0.00 173.24 174.32 1zgg n ALA 37 N 2.05 -0.37 -3.27 5.32 0.00 -0.55 -4.67 120.51 119.02 1zgg n ALA 37 Ca -0.19 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.62 1zgg n ALA 37 Cb 0.57 0.40 -0.07 0.00 0.00 0.00 0.00 19.45 20.35 1zgg n ALA 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1zgg s GLY 38 N -1.73 -0.31 0.50 0.00 0.00 -1.19 -2.75 107.32 101.83 1zgg s GLY 38 Ca 0.08 0.55 0.24 0.00 0.00 0.00 0.00 44.72 45.59 1zgg s GLY 38 CO 0.06 0.28 2.05 -0.39 0.00 0.00 0.00 173.10 175.10 1zgg h VAL 39 N 3.26 0.71 0.00 1.40 -1.51 -1.70 -0.34 116.25 118.07 1zgg h VAL 39 Ca -0.30 -0.56 -0.09 0.00 -1.23 0.00 0.00 66.70 64.53 1zgg h VAL 39 Cb 1.18 1.34 -0.19 0.00 -2.13 0.00 0.00 31.29 31.50 1zgg h VAL 39 CO 0.41 0.13 -0.72 0.49 -1.23 0.00 0.00 177.57 176.66 1zgg n PHE 40 N -3.81 0.00 -1.29 5.19 3.72 -0.48 -4.77 117.46 116.03 1zgg n PHE 40 Ca -0.02 -0.70 -0.29 0.00 -0.05 0.00 0.00 57.45 56.39 1zgg n PHE 40 Cb 0.24 -0.16 0.18 0.00 -0.94 0.00 0.00 39.48 38.81 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 -1.05 1.13 0.01 4.37 0.00 -1.15 -4.72 121.76 120.36 1zgg s ALA 41 Ca 0.29 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1zgg s ALA 41 Cb 0.30 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 1zgg s ALA 41 CO -0.10 -2.87 -0.05 -1.12 0.00 0.00 0.00 175.76 171.62 1zgg s SER 42 N -3.80 0.56 0.00 0.00 0.01 -1.26 -4.20 113.70 105.01 1zgg s SER 42 Ca 0.67 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1zgg s SER 42 Cb -0.15 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1zgg s SER 42 CO 0.56 -0.08 0.29 -2.65 0.41 0.00 0.00 173.24 171.77 1zgg n PRO 43 N 2.31 0.00 -0.44 12.44 -0.02 -1.25 -2.03 135.00 146.00 1zgg n PRO 43 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1zgg n PRO 43 Cb 0.57 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 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 -0.77 0.00 -4.77 2.55 2.85 -1.26 -4.68 115.26 109.18 1zgg n ASN 44 Ca 0.00 -1.81 -0.31 0.00 -0.11 0.00 0.00 54.58 52.35 1zgg n ASN 44 Cb 0.00 -0.16 0.09 0.00 1.24 0.00 0.00 39.78 40.95 1zgg n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1zgg s GLY 45 N -0.81 1.66 0.17 8.20 0.00 -0.86 -4.89 107.32 110.79 1zgg s GLY 45 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.69 1zgg s GLY 45 CO 0.00 0.52 0.53 -1.59 0.00 0.00 0.00 173.10 172.57 1zgg s LYS 46 N -4.95 1.29 0.19 2.90 -2.85 -1.26 -0.36 119.74 114.69 1zgg s LYS 46 Ca 0.61 -0.68 -0.32 0.00 -1.00 0.00 0.00 55.97 54.58 1zgg s LYS 46 Cb -0.16 0.54 -0.15 0.00 -2.06 0.00 0.00 37.83 35.99 1zgg s LYS 46 CO 0.56 -0.55 1.11 0.00 0.10 0.00 0.00 175.35 176.57 1zgg n ALA 47 N -0.33 -0.80 -1.48 0.59 0.00 -0.87 -4.91 120.51 112.71 1zgg n ALA 47 Ca -0.14 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 1zgg n ALA 47 Cb 0.64 -2.01 0.05 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.38 3.61 0.56 0.00 -4.23 -1.26 -4.80 115.64 109.13 1zgg s THR 48 Ca 0.70 0.61 0.26 0.00 -1.18 0.00 0.00 61.69 62.08 1zgg s THR 48 Cb -0.83 -3.19 0.26 0.00 1.34 0.00 0.00 72.50 70.08 1zgg s THR 48 CO 0.54 -0.59 1.77 -0.65 -0.54 0.00 0.00 174.62 175.14 1zgg h PRO 49 N -0.45 0.00 0.00 3.99 0.11 -2.00 -2.07 132.00 131.58 1zgg h PRO 49 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1zgg h PRO 49 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1zgg h PRO 49 CO 0.55 0.00 -1.57 0.72 -0.21 0.00 0.00 178.00 177.49 1zgg n HIS 50 N -2.73 0.00 -0.02 0.65 8.25 -1.26 -3.83 115.22 116.28 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 0.40 -0.40 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 0.33 0.16 -0.61 -1.41 0.00 -1.89 0.60 119.26 116.44 1zgg h ALA 51 Ca -0.22 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1zgg h ALA 51 Cb 1.48 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1zgg h ALA 51 CO 0.00 -0.30 0.12 -0.24 0.00 0.00 0.00 179.25 178.84 1zgg h VAL 52 N 0.09 1.25 -0.24 0.00 3.04 -1.62 -1.49 116.25 117.29 1zgg h VAL 52 Ca 0.04 -0.93 -0.17 0.00 -1.01 0.00 0.00 66.70 64.63 1zgg h VAL 52 Cb 0.08 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.01 1zgg h VAL 52 CO -0.01 0.35 -0.54 -0.08 -1.01 0.00 0.00 177.57 176.28 1zgg h GLU 53 N 0.92 0.72 -0.63 4.17 4.81 -1.63 0.05 114.58 123.00 1zgg h GLU 53 Ca 0.19 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.93 1zgg h GLU 53 Cb 0.37 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1zgg h GLU 53 CO 0.00 1.07 0.22 0.00 -0.73 0.00 0.00 179.01 179.58 1zgg h ALA 54 N 0.83 0.82 0.00 2.92 0.00 -0.42 0.34 119.26 123.75 1zgg h ALA 54 Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1zgg h ALA 54 Cb 1.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1zgg h ALA 54 CO 0.11 0.47 -0.52 -0.07 0.00 0.00 0.00 179.25 179.24 1zgg h LEU 55 N 0.89 0.00 -0.62 0.00 -0.00 -1.23 -1.39 115.31 112.97 1zgg h LEU 55 Ca 0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.97 1zgg h LEU 55 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 1zgg h LEU 55 CO -0.01 0.49 -0.13 0.15 -0.00 0.00 0.00 178.44 178.94 1zgg h PHE 56 N 0.00 1.06 -0.37 1.13 3.57 -0.62 0.90 116.94 122.62 1zgg h PHE 56 Ca -0.01 -0.22 -0.12 0.00 3.53 0.00 0.00 57.97 61.15 1zgg h PHE 56 Cb 1.38 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1zgg h PHE 56 CO 0.00 1.01 -0.25 1.49 -2.23 0.00 0.00 178.31 178.34 1zgg h GLU 57 N 0.84 0.75 0.00 1.11 4.81 -0.85 -0.58 114.58 120.66 1zgg h GLU 57 Ca 0.13 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1zgg h GLU 57 Cb 0.68 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1zgg h GLU 57 CO 0.05 0.92 0.00 1.17 -0.73 0.00 0.00 179.01 180.42 1zgg n LYS 58 N -4.10 0.01 -2.84 1.92 4.81 -0.53 -4.89 118.16 112.54 1zgg n LYS 58 Ca -0.00 0.37 -0.10 0.00 -0.87 0.00 0.00 58.31 57.71 1zgg n LYS 58 Cb 0.44 -1.53 0.05 0.00 0.02 0.00 0.00 35.03 34.01 1zgg n LYS 58 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1zgg n HIS 59 N -1.56 -1.29 -0.00 5.64 -0.00 -0.23 -4.96 115.22 112.82 1zgg n HIS 59 Ca 0.02 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 1zgg n HIS 59 Cb 0.10 -3.77 -0.01 0.00 -0.00 0.00 0.00 29.99 26.31 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 -2.87 0.02 -3.46 3.57 5.41 0.21 -5.01 119.36 117.22 1zgg n ILE 60 Ca -0.16 -0.04 -0.17 0.00 1.00 0.00 0.00 62.75 63.38 1zgg n ILE 60 Cb 0.60 0.15 0.02 0.00 -0.71 0.00 0.00 39.64 39.69 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 -2.60 -1.70 -1.39 0.00 -1.15 -4.93 120.51 107.09 1zgg n ALA 61 Ca -0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1zgg n ALA 61 Cb 0.15 -2.39 -0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 3.55 -3.66 0.00 0.00 -1.26 -4.97 117.00 107.81 1zgg n LEU 62 Ca -0.12 1.20 -0.05 0.00 0.00 0.00 0.00 56.01 57.03 1zgg n LEU 62 Cb 0.59 -1.48 -0.07 0.00 0.00 0.00 0.00 43.42 42.46 1zgg n LEU 62 CO 0.61 -0.53 0.14 0.21 0.00 0.00 0.00 177.39 177.82 1zgg s ASN 63 N -0.34 -0.67 -0.11 1.96 3.84 -1.26 -4.91 114.94 113.46 1zgg s ASN 63 Ca 0.56 1.25 -0.18 0.00 0.21 0.00 0.00 52.86 54.70 1zgg s ASN 63 Cb -0.57 1.72 0.04 0.00 -0.55 0.00 0.00 41.25 41.90 1zgg s ASN 63 CO 0.62 -0.23 0.45 -2.28 -2.79 0.00 0.00 177.10 172.87 1zgg s HIS 64 N 2.63 -0.43 -0.12 0.43 2.46 -1.26 -5.04 115.29 113.96 1zgg s HIS 64 Ca -0.04 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.42 1zgg s HIS 64 Cb -0.12 0.19 0.02 0.00 -0.13 0.00 0.00 32.58 32.54 1zgg s HIS 64 CO -0.16 -0.35 -0.10 0.08 -2.47 0.00 0.00 174.74 171.74 1zgg s VAL 65 N -0.46 1.22 1.13 0.89 1.01 -1.26 -2.05 120.40 120.88 1zgg s VAL 65 Ca -0.06 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1zgg s VAL 65 Cb -0.03 -1.18 0.24 0.00 0.00 0.00 0.00 36.38 35.41 1zgg s VAL 65 CO 0.03 0.40 0.86 -1.20 0.00 0.00 0.00 175.10 175.19 1zgg n SER 66 N 4.72 -1.61 -3.47 3.32 7.64 0.51 -4.95 113.62 119.77 1zgg n SER 66 Ca -0.15 -0.07 -0.13 0.00 1.01 0.00 0.00 58.87 59.52 1zgg n SER 66 Cb 0.50 -1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 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 -2.33 -0.56 0.66 6.43 0.01 -1.24 -3.96 113.70 112.71 1zgg s SER 67 Ca 0.66 0.26 -0.14 0.00 1.31 0.00 0.00 55.95 58.04 1zgg s SER 67 Cb -0.23 0.53 -0.00 0.00 0.21 0.00 0.00 66.02 66.53 1zgg s SER 67 CO 0.65 -0.76 1.09 -2.16 0.41 0.00 0.00 173.24 172.47 1zgg s PRO 68 N -2.65 2.86 -0.32 12.44 0.04 -1.26 -3.20 135.00 142.91 1zgg s PRO 68 Ca -0.03 1.28 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 1zgg s PRO 68 Cb -0.01 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1zgg s PRO 68 CO -0.04 -1.19 0.94 -1.17 0.04 0.00 0.00 177.00 175.59 1zgg s LEU 69 N -4.98 4.01 0.18 -3.56 2.96 -0.14 -4.71 118.68 112.44 1zgg s LEU 69 Ca 0.65 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.42 1zgg s LEU 69 Cb -0.18 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 1zgg s LEU 69 CO 0.43 -0.77 0.00 0.42 -1.32 0.00 0.00 176.35 175.11 1zgg s THR 70 N 3.35 0.74 0.32 3.68 -4.23 -1.26 -4.81 115.64 113.44 1zgg s THR 70 Ca 0.39 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.99 1zgg s THR 70 Cb -0.13 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.61 1zgg s THR 70 CO 0.15 -0.44 1.75 -0.08 -0.54 0.00 0.00 174.62 175.46 1zgg h GLU 71 N 2.65 0.21 -0.61 3.99 4.81 -1.98 -1.62 114.58 122.03 1zgg h GLU 71 Ca -0.37 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 58.71 1zgg h GLU 71 Cb 1.21 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1zgg h GLU 71 CO 0.63 0.54 0.11 1.05 -0.73 0.00 0.00 179.01 180.61 1zgg h GLU 72 N 0.18 0.98 -0.30 1.92 4.11 -1.98 0.11 114.58 119.61 1zgg h GLU 72 Ca 0.02 -0.24 -0.11 0.00 0.07 0.00 0.00 59.36 59.10 1zgg h GLU 72 Cb 0.72 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1zgg h GLU 72 CO 0.05 0.90 -0.24 1.25 0.07 0.00 0.00 179.01 181.05 1zgg h LEU 73 N 0.93 0.73 -0.87 3.06 5.85 -1.74 -0.17 115.31 123.11 1zgg h LEU 73 Ca 0.19 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1zgg h LEU 73 Cb 0.39 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1zgg h LEU 73 CO 0.01 1.03 0.55 -0.03 -0.34 0.00 0.00 178.44 179.65 1zgg h MET 74 N 0.44 0.99 0.00 1.25 1.85 -0.88 -0.70 114.93 117.89 1zgg h MET 74 Ca 0.06 -0.06 -0.11 0.00 -0.61 0.00 0.00 59.70 58.98 1zgg h MET 74 Cb 0.80 -0.22 -0.02 0.00 0.43 0.00 0.00 31.60 32.59 1zgg h MET 74 CO 0.06 0.66 -0.54 0.93 -0.40 0.00 0.00 176.91 177.62 1zgg h GLU 75 N 1.02 0.00 -0.28 0.39 4.39 -0.70 -2.85 114.58 116.56 1zgg h GLU 75 Ca 0.37 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.00 1zgg h GLU 75 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1zgg h GLU 75 CO -0.15 0.51 -0.14 0.77 -1.16 0.00 0.00 179.01 178.84 1zgg h SER 76 N 0.00 0.45 -3.52 1.42 0.02 -0.38 -3.45 113.55 108.09 1zgg h SER 76 Ca -0.01 -0.12 -0.45 0.00 -0.84 0.00 0.00 61.79 60.37 1zgg h SER 76 Cb 1.40 -0.12 0.08 0.00 0.14 0.00 0.00 62.40 63.90 1zgg h SER 76 CO 0.07 0.62 0.20 0.00 -1.14 0.00 0.00 176.83 176.58 1zgg s ALA 77 N -4.71 3.22 -0.00 3.77 0.00 -0.33 -4.88 121.76 118.83 1zgg s ALA 77 Ca -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1zgg s ALA 77 Cb 0.15 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.75 1zgg s ALA 77 CO 0.77 -1.32 0.00 -3.47 0.00 0.00 0.00 175.76 171.74 1zgg n ASP 78 N -2.91 4.93 -4.13 0.00 -0.08 0.04 -4.94 116.55 109.46 1zgg n ASP 78 Ca 0.09 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.19 1zgg n ASP 78 Cb 0.60 0.54 -0.12 0.00 2.34 0.00 0.00 41.12 44.48 1zgg n ASP 78 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1zgg s LEU 79 N -3.95 2.23 -0.00 -2.67 2.96 -0.44 -4.63 118.68 112.18 1zgg s LEU 79 Ca -0.00 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1zgg s LEU 79 Cb 0.00 -0.46 -0.00 0.00 0.50 0.00 0.00 46.19 46.23 1zgg s LEU 79 CO 0.01 -0.07 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.24 1zgg s VAL 80 N -1.14 0.31 -0.37 1.68 1.01 0.31 -1.15 120.40 121.05 1zgg s VAL 80 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1zgg s VAL 80 Cb -0.09 -0.27 0.13 0.00 0.00 0.00 0.00 36.38 36.15 1zgg s VAL 80 CO 0.02 0.08 0.20 -0.76 0.00 0.00 0.00 175.10 174.63 1zgg s LEU 81 N -0.13 1.74 -0.02 3.92 1.43 0.48 -1.19 118.68 124.91 1zgg s LEU 81 Ca 0.01 -2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 50.71 1zgg s LEU 81 Cb -0.02 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1zgg s LEU 81 CO -0.00 -0.32 0.59 0.00 0.23 0.00 0.00 176.35 176.85 1zgg s ALA 82 N 0.96 3.48 0.00 4.21 0.00 -0.18 -1.15 121.76 129.08 1zgg s ALA 82 Ca 0.16 0.01 0.32 0.00 0.00 0.00 0.00 51.96 52.45 1zgg s ALA 82 Cb -0.22 -2.74 1.38 0.00 0.00 0.00 0.00 23.12 21.54 1zgg s ALA 82 CO -0.06 0.14 1.94 0.52 0.00 0.00 0.00 175.76 178.31 1zgg h MET 83 N 5.80 0.00 -4.10 0.00 2.86 -1.44 0.75 114.93 118.80 1zgg h MET 83 Ca -0.45 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.06 1zgg h MET 83 Cb 1.20 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.69 1zgg h MET 83 CO 0.70 0.00 -0.66 0.95 1.06 0.00 0.00 176.91 178.96 1zgg s THR 84 N -3.63 0.17 0.30 2.22 -4.23 -1.26 -4.33 115.64 104.88 1zgg s THR 84 Ca 0.01 -1.44 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1zgg s THR 84 Cb 0.09 -1.06 0.10 0.00 1.34 0.00 0.00 72.50 72.98 1zgg s THR 84 CO 0.47 -0.79 1.78 1.12 -0.54 0.00 0.00 174.62 176.66 1zgg h HIS 85 N 3.66 0.57 -0.46 3.99 2.07 -1.89 -0.96 115.15 122.13 1zgg h HIS 85 Ca -0.33 -0.09 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1zgg h HIS 85 Cb 1.17 -0.15 -0.02 0.00 2.57 0.00 0.00 27.41 30.98 1zgg h HIS 85 CO 0.57 0.65 0.30 0.37 -3.07 0.00 0.00 177.93 176.74 1zgg h GLN 86 N 0.48 0.60 -0.73 5.12 5.75 -1.98 -1.12 115.11 123.23 1zgg h GLN 86 Ca 0.09 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1zgg h GLN 86 Cb 0.53 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1zgg h GLN 86 CO 0.03 0.40 0.32 1.25 -2.65 0.00 0.00 178.83 178.18 1zgg h HIS 87 N 0.62 1.06 -0.80 3.99 2.76 -1.85 0.58 115.15 121.51 1zgg h HIS 87 Ca 0.17 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1zgg h HIS 87 Cb -0.06 -0.33 -0.06 0.00 1.55 0.00 0.00 27.41 28.51 1zgg h HIS 87 CO -0.04 0.79 0.48 -0.22 -1.30 0.00 0.00 177.93 177.65 1zgg h LYS 88 N 1.04 0.86 0.00 5.26 3.64 -0.67 -0.73 116.57 125.98 1zgg h LYS 88 Ca 0.25 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.45 1zgg h LYS 88 Cb 0.16 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1zgg h LYS 88 CO -0.03 0.57 -0.60 1.96 -2.27 0.00 0.00 179.45 179.08 1zgg h GLN 89 N 0.89 0.00 -0.35 1.90 1.08 -0.35 -1.40 115.11 116.88 1zgg h GLN 89 Ca 0.35 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 1zgg h GLN 89 Cb 0.16 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1zgg h GLN 89 CO -0.17 0.60 0.13 0.82 -0.95 0.00 0.00 178.83 179.26 1zgg h ILE 90 N 0.00 1.20 -0.46 2.54 2.04 -0.24 0.31 117.51 122.89 1zgg h ILE 90 Ca -0.01 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1zgg h ILE 90 Cb 1.12 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1zgg h ILE 90 CO 0.08 0.22 0.17 0.40 0.00 0.00 0.00 178.15 179.02 1zgg h ILE 91 N 0.42 0.86 -0.61 -0.67 2.04 -0.91 -0.49 117.51 118.16 1zgg h ILE 91 Ca 0.12 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1zgg h ILE 91 Cb 0.21 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1zgg h ILE 91 CO -0.01 0.06 0.34 0.00 0.00 0.00 0.00 178.15 178.54 1zgg h ALA 92 N 1.30 0.80 -0.33 1.87 0.00 -0.97 -1.49 119.26 120.43 1zgg h ALA 92 Ca 0.22 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1zgg h ALA 92 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1zgg h ALA 92 CO -0.21 0.02 -0.22 0.77 0.00 0.00 0.00 179.25 179.61 1zgg h SER 93 N 0.64 0.64 0.76 0.00 0.02 0.20 0.10 113.55 115.91 1zgg h SER 93 Ca 0.26 -0.22 -0.25 0.00 -0.84 0.00 0.00 61.79 60.74 1zgg h SER 93 Cb 0.13 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1zgg h SER 93 CO -0.16 0.86 -1.23 0.06 -1.14 0.00 0.00 176.83 175.22 1zgg h GLN 94 N 0.56 0.11 -0.01 3.45 3.07 -0.85 -3.37 115.11 118.08 1zgg h GLN 94 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 58.64 1zgg h GLN 94 Cb 0.68 0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1zgg h GLN 94 CO 0.05 1.02 -0.70 1.19 0.09 0.00 0.00 178.83 180.47 1zgg n PHE 95 N -3.38 0.00 -1.51 0.06 3.72 -0.59 -4.99 117.46 110.77 1zgg n PHE 95 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1zgg n PHE 95 Cb 0.99 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 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 1.43 0.46 3.83 1.37 0.00 -0.43 -4.35 105.19 107.50 1zgg n GLY 96 Ca 0.06 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.75 -5.95 0.00 1.61 0.63 0.23 -4.88 116.66 107.56 1zgg n ARG 97 Ca 0.00 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 1zgg n ARG 97 Cb 0.38 -5.54 0.00 0.00 0.45 0.00 0.00 32.46 27.75 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 -4.71 0.00 0.98 -0.14 4.01 -1.26 -4.47 117.16 111.57 1zgg n TYR 98 Ca 0.00 -0.10 0.09 0.00 -0.16 0.00 0.00 57.90 57.73 1zgg n TYR 98 Cb 0.55 -0.10 0.49 0.00 -0.31 0.00 0.00 39.34 39.96 1zgg n TYR 98 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1zgg n ARG 99 N 0.36 0.42 -0.28 -0.72 1.85 -1.26 -3.17 116.66 113.85 1zgg n ARG 99 Ca 0.00 0.06 0.08 0.00 -1.00 0.00 0.00 57.85 56.98 1zgg n ARG 99 Cb 0.20 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.34 1zgg n ARG 99 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1zgg h ASP 100 N 0.00 0.34 0.83 2.89 3.58 -2.00 -0.60 116.42 121.45 1zgg h ASP 100 Ca 0.00 0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1zgg h ASP 100 Cb 0.07 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1zgg h ASP 100 CO 0.00 0.10 -0.16 0.11 -2.88 0.00 0.00 179.24 176.41 1zgg h LYS 101 N 0.47 0.00 -5.96 0.28 1.57 -1.81 -3.44 116.57 107.69 1zgg h LYS 101 Ca 0.47 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.68 1zgg h LYS 101 Cb 0.75 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 1zgg h LYS 101 CO -0.43 0.16 -0.05 0.08 -0.57 0.00 0.00 179.45 178.63 1zgg s VAL 102 N -3.76 5.03 0.04 0.50 1.01 -0.23 -0.53 120.40 122.46 1zgg s VAL 102 Ca -0.00 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.18 1zgg s VAL 102 Cb 0.10 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1zgg s VAL 102 CO 0.60 0.37 -0.13 -0.36 0.00 0.00 0.00 175.10 175.59 1zgg s PHE 103 N 0.19 1.10 0.63 5.22 0.40 -0.34 -4.96 117.98 120.23 1zgg s PHE 103 Ca 0.30 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 56.11 1zgg s PHE 103 Cb -0.17 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 1zgg s PHE 103 CO 0.15 0.02 1.07 0.99 0.70 0.00 0.00 175.22 178.15 1zgg s THR 104 N -0.96 3.73 0.17 0.64 2.01 -1.26 -1.01 115.64 118.96 1zgg s THR 104 Ca -0.01 0.75 -0.14 0.00 0.31 0.00 0.00 61.69 62.60 1zgg s THR 104 Cb -0.08 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.17 1zgg s THR 104 CO 0.01 -0.54 1.80 0.25 -0.69 0.00 0.00 174.62 175.45 1zgg h LEU 105 N 0.09 0.43 -0.13 4.42 5.85 -0.94 -0.62 115.31 124.41 1zgg h LEU 105 Ca -0.46 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.14 1zgg h LEU 105 Cb 1.22 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1zgg h LEU 105 CO 0.56 0.30 -0.41 0.11 -0.34 0.00 0.00 178.44 178.67 1zgg h LYS 106 N 0.54 0.50 -0.78 1.25 1.79 -1.66 -3.36 116.57 114.84 1zgg h LYS 106 Ca 0.19 -0.37 0.16 0.00 -2.18 0.00 0.00 60.65 58.45 1zgg h LYS 106 Cb 0.04 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 30.65 1zgg h LYS 106 CO -0.10 0.99 0.30 1.49 -1.08 0.00 0.00 179.45 181.06 1zgg h GLU 107 N 0.11 0.41 0.00 3.15 4.81 -0.16 0.20 114.58 123.10 1zgg h GLU 107 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1zgg h GLU 107 Cb 1.03 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1zgg h GLU 107 CO 0.09 0.27 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.68 1zgg h TYR 108 N 0.42 0.00 0.00 0.92 3.20 -1.31 -1.91 116.97 118.29 1zgg h TYR 108 Ca 0.44 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.17 1zgg h TYR 108 Cb 0.72 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1zgg h TYR 108 CO -0.17 0.03 -1.47 0.28 -1.64 0.00 0.00 178.16 175.19 1zgg n VAL 109 N -3.47 0.46 0.08 1.81 0.31 0.28 -4.73 118.33 113.07 1zgg n VAL 109 Ca -0.02 -0.12 0.06 0.00 -0.01 0.00 0.00 64.34 64.24 1zgg n VAL 109 Cb 0.14 -1.51 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 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 -0.26 0.25 0.00 2.52 1.35 -0.86 -3.48 112.91 112.43 1zgg h THR 110 Ca -0.21 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1zgg h THR 110 Cb 1.20 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1zgg h THR 110 CO -0.12 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1zgg n GLY 111 N 1.27 0.70 2.93 5.82 0.00 -0.72 -5.02 105.19 110.18 1zgg n GLY 111 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.23 0.45 0.51 1.61 0.01 -1.25 -4.92 113.70 107.88 1zgg s SER 112 Ca 0.00 -0.07 -0.23 0.00 1.31 0.00 0.00 55.95 56.96 1zgg s SER 112 Cb 0.00 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.12 1zgg s SER 112 CO 0.00 0.05 1.38 -1.00 0.41 0.00 0.00 173.24 174.08 1zgg s HIS 113 N -0.08 2.34 0.00 2.43 0.09 -1.26 -1.52 115.29 117.29 1zgg s HIS 113 Ca 0.01 1.34 0.00 0.00 -0.00 0.00 0.00 55.06 56.41 1zgg s HIS 113 Cb -0.02 -3.84 0.00 0.00 -0.00 0.00 0.00 32.58 28.73 1zgg s HIS 113 CO -0.00 -2.91 0.00 0.41 -0.00 0.00 0.00 174.74 172.24 1zgg n GLY 114 N 0.68 -0.87 3.24 -2.22 0.00 -1.26 -4.83 105.19 99.92 1zgg n GLY 114 Ca 0.09 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 0.59 0.80 1.61 2.15 -1.26 -2.13 116.67 118.43 1zgg s ASP 115 Ca 0.00 -1.36 -0.08 0.00 0.43 0.00 0.00 52.55 51.54 1zgg s ASP 115 Cb 0.00 0.28 0.13 0.00 -0.30 0.00 0.00 42.92 43.03 1zgg s ASP 115 CO 0.00 -0.78 1.12 -0.69 -0.17 0.00 0.00 175.17 174.65 1zgg s VAL 116 N -3.98 2.13 0.04 1.11 1.01 -1.26 -4.87 120.40 114.58 1zgg s VAL 116 Ca 0.36 -0.28 -0.35 0.00 0.00 0.00 0.00 61.98 61.71 1zgg s VAL 116 Cb 0.07 -2.85 -0.14 0.00 0.00 0.00 0.00 36.38 33.47 1zgg s VAL 116 CO 0.11 0.00 1.63 -0.11 0.00 0.00 0.00 175.10 176.73 1zgg n LEU 117 N -3.19 2.87 -4.47 3.92 0.00 -1.26 -4.97 117.00 109.90 1zgg n LEU 117 Ca 0.13 1.06 -0.43 0.00 0.00 0.00 0.00 56.01 56.76 1zgg n LEU 117 Cb 0.60 -1.34 -0.06 0.00 0.00 0.00 0.00 43.42 42.62 1zgg n LEU 117 CO 0.47 -0.37 0.46 -0.62 0.00 0.00 0.00 177.39 177.32 1zgg s ASP 118 N 1.93 6.26 0.00 1.96 2.15 -1.26 -4.88 116.67 122.83 1zgg s ASP 118 Ca 0.85 -0.71 0.30 0.00 0.43 0.00 0.00 52.55 53.42 1zgg s ASP 118 Cb -0.77 -2.33 1.42 0.00 -0.30 0.00 0.00 42.92 40.94 1zgg s ASP 118 CO 0.46 -0.98 1.99 -0.81 -0.17 0.00 0.00 175.17 175.65 1zgg n PRO 119 N 6.55 0.56 -1.67 4.34 -0.04 -1.26 -4.93 135.00 138.54 1zgg n PRO 119 Ca -0.04 -0.09 -0.47 0.00 -0.04 0.00 0.00 63.50 62.86 1zgg n PRO 119 Cb 0.46 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.14 2.34 -0.12 0.54 7.35 -1.26 -0.56 117.46 124.61 1zgg n PHE 120 Ca 0.15 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1zgg n PHE 120 Cb 0.25 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.39 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 4.54 0.64 3.94 7.13 0.00 -1.26 -5.08 105.19 115.09 1zgg n GLY 121 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.59 1.74 0.88 -0.02 0.00 0.28 -5.09 107.32 103.51 1zgg s GLY 122 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 1zgg s GLY 122 CO 0.00 -0.51 1.12 -1.35 0.00 0.00 0.00 173.10 172.36 1zgg s SER 123 N -4.78 3.81 0.44 1.64 1.04 -1.26 -4.91 113.70 109.68 1zgg s SER 123 Ca 0.70 1.07 0.20 0.00 0.48 0.00 0.00 55.95 58.39 1zgg s SER 123 Cb -0.06 -1.69 1.15 0.00 0.10 0.00 0.00 66.02 65.52 1zgg s SER 123 CO 0.50 -2.37 1.88 -0.29 0.98 0.00 0.00 173.24 173.93 1zgg h ILE 124 N -1.37 0.68 -0.85 -1.02 6.09 -1.97 -0.11 117.51 118.95 1zgg h ILE 124 Ca -0.49 -0.11 0.04 0.00 -1.37 0.00 0.00 64.86 62.92 1zgg h ILE 124 Cb 1.31 0.32 -0.05 0.00 0.47 0.00 0.00 36.82 38.87 1zgg h ILE 124 CO 0.61 0.06 0.56 -0.78 -3.07 0.00 0.00 178.15 175.53 1zgg h ASP 125 N 0.33 0.89 -0.34 2.19 3.58 -1.97 0.64 116.42 121.73 1zgg h ASP 125 Ca 0.44 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.73 1zgg h ASP 125 Cb 1.19 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1zgg h ASP 125 CO -0.14 0.60 -0.37 0.40 -2.88 0.00 0.00 179.24 176.85 1zgg h ILE 126 N 1.02 1.27 -0.25 2.25 1.08 -1.36 0.82 117.51 122.34 1zgg h ILE 126 Ca 0.35 -1.54 -0.10 0.00 -0.39 0.00 0.00 64.86 63.17 1zgg h ILE 126 Cb 0.08 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1zgg h ILE 126 CO -0.11 0.51 -0.28 1.88 -0.69 0.00 0.00 178.15 179.46 1zgg h TYR 127 N 0.73 0.55 -0.18 1.37 -1.99 -1.33 -0.74 116.97 115.38 1zgg h TYR 127 Ca 0.06 -0.13 -0.11 0.00 2.00 0.00 0.00 58.73 60.56 1zgg h TYR 127 Cb 0.95 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 1zgg h TYR 127 CO 0.06 0.72 -0.36 -0.22 -0.00 0.00 0.00 178.16 178.36 1zgg h LYS 128 N 0.43 0.39 -0.35 4.88 3.11 -0.38 0.12 116.57 124.75 1zgg h LYS 128 Ca 0.06 -0.18 -0.10 0.00 -2.81 0.00 0.00 60.65 57.62 1zgg h LYS 128 Cb 0.71 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 1zgg h LYS 128 CO 0.05 0.70 -0.17 1.96 -2.81 0.00 0.00 179.45 179.18 1zgg h GLN 129 N 0.33 0.74 -0.21 1.90 1.08 -0.59 -3.14 115.11 115.21 1zgg h GLN 129 Ca 0.04 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1zgg h GLN 129 Cb 0.79 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 1zgg h GLN 129 CO 0.06 0.94 0.10 1.15 -0.95 0.00 0.00 178.83 180.13 1zgg h THR 130 N 0.53 1.13 -0.08 -0.54 2.02 -0.76 -2.88 112.91 112.33 1zgg h THR 130 Ca 0.08 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1zgg h THR 130 Cb 0.71 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1zgg h THR 130 CO 0.05 0.13 -0.17 0.08 0.37 0.00 0.00 175.52 175.98 1zgg h ARG 131 N 0.22 0.13 -0.27 6.66 0.11 -0.81 0.18 114.38 120.60 1zgg h ARG 131 Ca 0.07 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 60.04 1zgg h ARG 131 Cb 0.11 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1zgg h ARG 131 CO -0.01 0.30 -0.15 0.22 0.10 0.00 0.00 179.97 180.44 1zgg h ASP 132 N 0.12 0.59 -0.36 0.08 3.58 -1.48 -0.17 116.42 118.79 1zgg h ASP 132 Ca 0.02 -0.42 -0.14 0.00 0.42 0.00 0.00 57.03 56.92 1zgg h ASP 132 Cb 0.38 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1zgg h ASP 132 CO 0.02 0.88 -0.31 -0.08 -2.88 0.00 0.00 179.24 176.88 1zgg h GLU 133 N 0.30 0.84 -0.79 0.28 4.57 -1.18 -2.68 114.58 115.92 1zgg h GLU 133 Ca 0.06 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1zgg h GLU 133 Cb 0.67 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 1zgg h GLU 133 CO 0.04 1.06 0.41 1.25 -1.18 0.00 0.00 179.01 180.60 1zgg h LEU 134 N 0.63 1.01 -0.43 1.64 5.85 -0.65 -1.12 115.31 122.23 1zgg h LEU 134 Ca 0.06 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1zgg h LEU 134 Cb 0.88 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1zgg h LEU 134 CO 0.08 0.83 0.16 -0.08 -0.34 0.00 0.00 178.44 179.09 1zgg h GLU 135 N 1.11 0.65 -0.68 1.25 4.81 -0.93 -0.03 114.58 120.75 1zgg h GLU 135 Ca 0.28 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1zgg h GLU 135 Cb 0.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1zgg h GLU 135 CO -0.04 0.61 0.20 1.49 -0.73 0.00 0.00 179.01 180.54 1zgg h GLU 136 N 0.55 1.08 -0.19 1.92 4.57 -1.11 0.33 114.58 121.73 1zgg h GLU 136 Ca 0.14 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1zgg h GLU 136 Cb 0.22 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1zgg h GLU 136 CO -0.01 0.94 0.08 1.25 -1.18 0.00 0.00 179.01 180.09 1zgg h LEU 137 N 1.01 0.25 -0.91 1.64 5.85 -1.07 -3.00 115.31 119.08 1zgg h LEU 137 Ca 0.22 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1zgg h LEU 137 Cb 0.33 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1zgg h LEU 137 CO -0.00 0.34 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.11 1zgg h LEU 138 N 0.15 0.00 -0.38 2.25 3.38 -0.43 0.86 115.31 121.15 1zgg h LEU 138 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1zgg h LEU 138 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1zgg h LEU 138 CO -0.01 0.26 0.15 0.03 0.09 0.00 0.00 178.44 178.96 1zgg h ARG 139 N 0.00 0.58 -0.15 1.13 2.47 -0.91 -0.22 114.38 117.28 1zgg h ARG 139 Ca -0.00 -0.11 -0.08 0.00 -1.26 0.00 0.00 59.98 58.52 1zgg h ARG 139 Cb 0.85 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 1zgg h ARG 139 CO 0.03 0.56 -0.28 1.96 0.56 0.00 0.00 179.97 182.81 1zgg h GLN 140 N 0.47 0.27 -0.83 0.04 4.20 -1.14 -1.71 115.11 116.41 1zgg h GLN 140 Ca 0.13 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1zgg h GLN 140 Cb 0.20 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1zgg h GLN 140 CO -0.01 0.54 0.44 1.25 -0.67 0.00 0.00 178.83 180.37 1zgg h LEU 141 N 0.24 1.06 -0.74 1.46 6.46 -0.52 -0.46 115.31 122.82 1zgg h LEU 141 Ca 0.04 -0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.63 1zgg h LEU 141 Cb 0.63 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1zgg h LEU 141 CO 0.05 0.87 0.26 0.00 -0.62 0.00 0.00 178.44 178.99 1zgg h ALA 142 N 1.23 0.96 -0.52 1.25 0.00 -0.59 -0.16 119.26 121.43 1zgg h ALA 142 Ca 0.29 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1zgg h ALA 142 Cb 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1zgg h ALA 142 CO -0.04 0.62 0.26 0.87 0.00 0.00 0.00 179.25 180.95 1zgg h LYS 143 N 1.08 0.49 -0.12 0.00 1.57 -0.67 -0.36 116.57 118.55 1zgg h LYS 143 Ca 0.24 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1zgg h LYS 143 Cb 0.27 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1zgg h LYS 143 CO -0.01 0.32 0.03 1.96 -0.57 0.00 0.00 179.45 181.17 1zgg h GLN 144 N 0.50 0.08 0.00 3.15 1.08 -0.56 0.00 115.11 119.36 1zgg h GLN 144 Ca 0.23 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.38 1zgg h GLN 144 Cb 0.14 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1zgg h GLN 144 CO -0.16 0.05 -0.21 -0.07 -0.95 0.00 0.00 178.83 177.49 1zgg h LEU 145 N 0.08 0.00 0.21 1.46 3.38 -0.51 -1.22 115.31 118.71 1zgg h LEU 145 Ca 0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 1zgg h LEU 145 Cb 0.04 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.82 1zgg h LEU 145 CO -0.07 0.21 -1.25 0.11 0.09 0.00 0.00 178.44 177.53 1zgg h LYS 146 N 0.00 0.47 -0.32 1.13 1.57 -0.85 -3.39 116.57 115.18 1zgg h LYS 146 Ca -0.00 -0.79 -0.13 0.00 -1.87 0.00 0.00 60.65 57.86 1zgg h LYS 146 Cb 0.49 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1zgg h LYS 146 CO 0.03 1.38 -0.33 -0.22 -0.57 0.00 0.00 179.45 179.73 1zgg h LYS 147 N -0.02 0.70 -3.82 3.15 3.64 -0.35 -3.44 116.57 116.43 1zgg h LYS 147 Ca -0.22 -0.33 -0.15 0.00 -1.27 0.00 0.00 60.65 58.68 1zgg h LYS 147 Cb 1.99 -0.01 -0.20 0.00 -0.41 0.00 0.00 32.23 33.60 1zgg h LYS 147 CO 0.24 0.93 -0.61 0.34 -2.27 0.00 0.00 179.45 178.08 1zgg s ASP 148 N -6.82 0.18 0.31 4.20 -1.08 -0.52 -5.07 116.67 107.87 1zgg s ASP 148 Ca -0.09 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 1zgg s ASP 148 Cb 0.12 0.16 0.49 0.00 -1.46 0.00 0.00 42.92 42.23 1zgg s ASP 148 CO 0.84 -0.37 1.90 -0.09 0.52 0.00 0.00 175.17 177.97 1zgg h ARG 149 N 4.30 0.84 0.00 4.34 9.65 -1.84 -3.36 114.38 128.31 1zgg h ARG 149 Ca -0.32 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1zgg h ARG 149 Cb 1.20 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1zgg h ARG 149 CO 0.44 0.67 0.00 2.89 2.80 0.00 0.00 179.97 186.77