#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 1.16 -0.15 6.12 2.15 -1.26 -1.03 116.67 123.67 1zgg s ASP 2 Ca 0.00 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.83 1zgg s ASP 2 Cb 0.00 -0.54 0.01 0.00 -0.30 0.00 0.00 42.92 42.09 1zgg s ASP 2 CO 0.00 -0.04 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.14 1zgg s ILE 3 N 0.88 2.27 -0.48 4.11 1.01 -0.55 -0.91 121.20 127.53 1zgg s ILE 3 Ca -0.12 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 1zgg s ILE 3 Cb -0.15 -1.93 0.08 0.00 0.01 0.00 0.00 42.46 40.48 1zgg s ILE 3 CO 0.01 0.54 0.41 -0.63 0.00 0.00 0.00 174.94 175.26 1zgg s ILE 4 N 0.81 5.23 0.21 2.92 1.01 -0.32 -0.54 121.20 130.52 1zgg s ILE 4 Ca -0.06 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 1zgg s ILE 4 Cb -0.15 -4.14 -0.08 0.00 0.01 0.00 0.00 42.46 38.09 1zgg s ILE 4 CO -0.01 -0.61 1.19 -0.36 0.00 0.00 0.00 174.94 175.15 1zgg s PHE 5 N 1.64 3.42 -0.15 3.97 0.08 -0.31 -0.61 117.98 126.01 1zgg s PHE 5 Ca 0.04 1.46 -0.08 0.00 0.12 0.00 0.00 56.93 58.48 1zgg s PHE 5 Cb -0.25 -3.43 0.06 0.00 -0.57 0.00 0.00 43.02 38.83 1zgg s PHE 5 CO 0.06 -1.16 0.36 0.54 -0.10 0.00 0.00 175.22 174.93 1zgg s VAL 6 N -0.32 -0.12 0.10 -0.44 0.11 -0.45 -1.41 120.40 117.86 1zgg s VAL 6 Ca 0.51 0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 59.65 1zgg s VAL 6 Cb -0.33 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1zgg s VAL 6 CO 0.39 0.05 0.09 0.00 -3.33 0.00 0.00 175.10 172.29 1zgg h THR 8 N 2.90 0.97 -0.31 0.00 2.02 -1.94 0.36 112.91 116.90 1zgg h THR 8 Ca -0.34 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1zgg h THR 8 Cb 1.18 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1zgg h THR 8 CO 0.59 0.18 0.00 0.61 0.37 0.00 0.00 175.52 177.27 1zgg n GLY 9 N -1.34 3.23 5.00 2.16 0.00 -1.26 -1.12 105.19 111.86 1zgg n GLY 9 Ca 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.14 0.00 0.15 1.61 5.15 0.12 -4.51 115.26 117.91 1zgg n ASN 10 Ca 0.15 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.25 1zgg n ASN 10 Cb 0.60 0.00 0.54 0.00 -0.53 0.00 0.00 39.78 40.39 1zgg n ASN 10 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1zgg n THR 11 N 0.00 0.92 -0.31 -0.44 -2.24 -1.26 -2.34 114.28 108.60 1zgg n THR 11 Ca 0.00 0.46 -0.02 0.00 -2.27 0.00 0.00 64.05 62.21 1zgg n THR 11 Cb 0.00 -1.42 0.10 0.00 -2.10 0.00 0.00 70.33 66.91 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 -4.53 0.00 -0.22 0.00 0.63 -1.15 -4.25 116.66 107.14 1zgg n ARG 13 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1zgg n ARG 13 Cb 0.06 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.09 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 0.36 -0.21 6.15 0.02 -1.75 0.18 113.55 118.31 1zgg h SER 14 Ca 0.00 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1zgg h SER 14 Cb 0.00 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1zgg h SER 14 CO 0.00 0.21 0.14 -0.65 -1.14 0.00 0.00 176.83 175.39 1zgg h PRO 15 N 0.52 0.19 -0.37 3.45 0.11 -1.90 0.42 132.00 134.42 1zgg h PRO 15 Ca 0.32 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 1zgg h PRO 15 Cb 0.35 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1zgg h PRO 15 CO -0.27 0.12 0.12 0.52 -0.21 0.00 0.00 178.00 178.28 1zgg h MET 16 N 0.19 0.57 -0.63 1.05 2.86 -1.34 -0.85 114.93 116.78 1zgg h MET 16 Ca 0.08 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1zgg h MET 16 Cb 0.10 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1zgg h MET 16 CO -0.02 0.58 0.06 0.00 1.06 0.00 0.00 176.91 178.60 1zgg h ALA 17 N 0.96 0.84 -0.18 6.32 0.00 -0.70 -0.90 119.26 125.61 1zgg h ALA 17 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1zgg h ALA 17 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1zgg h ALA 17 CO -0.00 0.64 0.08 1.49 0.00 0.00 0.00 179.25 181.46 1zgg h GLU 18 N 0.99 0.18 -0.47 0.00 4.81 -0.88 0.11 114.58 119.31 1zgg h GLU 18 Ca 0.19 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1zgg h GLU 18 Cb 0.49 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1zgg h GLU 18 CO 0.02 0.12 -0.10 0.00 -0.73 0.00 0.00 179.01 178.32 1zgg h ALA 19 N 1.09 0.65 -0.26 2.92 0.00 -0.82 0.20 119.26 123.04 1zgg h ALA 19 Ca 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1zgg h ALA 19 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1zgg h ALA 19 CO -0.05 0.53 0.08 -0.07 0.00 0.00 0.00 179.25 179.73 1zgg h LEU 20 N 0.74 0.39 -0.66 0.00 3.38 -1.09 -1.68 115.31 116.39 1zgg h LEU 20 Ca 0.12 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1zgg h LEU 20 Cb 0.64 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1zgg h LEU 20 CO 0.04 0.50 -0.55 0.15 0.09 0.00 0.00 178.44 178.67 1zgg h PHE 21 N 0.26 0.44 -0.31 1.13 3.57 -0.44 0.77 116.94 122.36 1zgg h PHE 21 Ca 0.08 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1zgg h PHE 21 Cb 0.25 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1zgg h PHE 21 CO 0.01 0.82 0.17 0.87 -2.23 0.00 0.00 178.31 177.95 1zgg h LYS 22 N 0.27 0.35 -0.55 1.11 1.57 -0.58 0.20 116.57 118.95 1zgg h LYS 22 Ca 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1zgg h LYS 22 Cb 1.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1zgg h LYS 22 CO 0.09 0.23 0.20 0.77 -0.57 0.00 0.00 179.45 180.17 1zgg h SER 23 N 0.36 0.77 -0.29 0.86 0.02 -0.71 -1.15 113.55 113.41 1zgg h SER 23 Ca 0.12 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 1zgg h SER 23 Cb 0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1zgg h SER 23 CO -0.06 0.75 -0.32 0.40 -1.14 0.00 0.00 176.83 176.46 1zgg h ILE 24 N 0.75 1.28 -0.64 3.27 2.04 -0.62 -1.22 117.51 122.37 1zgg h ILE 24 Ca 0.18 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 1zgg h ILE 24 Cb 0.23 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1zgg h ILE 24 CO -0.01 0.49 0.19 0.00 0.00 0.00 0.00 178.15 178.82 1zgg h ALA 25 N 0.95 1.14 -0.69 1.87 0.00 -0.41 -0.14 119.26 121.98 1zgg h ALA 25 Ca 0.07 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1zgg h ALA 25 Cb 0.87 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1zgg h ALA 25 CO 0.08 0.59 0.17 1.49 0.00 0.00 0.00 179.25 181.58 1zgg h GLU 26 N 0.94 1.11 -0.50 0.00 4.57 -0.80 0.18 114.58 120.08 1zgg h GLU 26 Ca 0.21 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1zgg h GLU 26 Cb 0.28 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1zgg h GLU 26 CO -0.01 0.98 0.30 0.00 -1.18 0.00 0.00 179.01 179.10 1zgg h ARG 27 N 1.04 0.69 0.00 1.92 2.47 -0.49 -3.15 114.38 116.85 1zgg h ARG 27 Ca 0.22 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1zgg h ARG 27 Cb 0.36 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1zgg h ARG 27 CO 0.00 0.50 -0.29 0.93 0.56 0.00 0.00 179.97 181.68 1zgg h GLU 28 N 0.67 0.00 -2.12 0.04 4.39 -0.76 -3.47 114.58 113.34 1zgg h GLU 28 Ca 0.18 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.61 1zgg h GLU 28 Cb -0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1zgg h GLU 28 CO -0.03 0.00 -0.36 0.41 -1.16 0.00 0.00 179.01 177.87 1zgg n GLY 29 N 1.24 -0.18 3.66 -3.84 0.00 0.48 -4.98 105.19 101.57 1zgg n GLY 29 Ca 0.04 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.03 4.11 -0.63 0.99 0.20 -0.22 -4.98 118.68 114.12 1zgg s LEU 30 Ca 0.03 1.40 -0.27 0.00 0.69 0.00 0.00 54.13 55.98 1zgg s LEU 30 Cb -0.01 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 1zgg s LEU 30 CO 0.03 -0.66 1.56 0.21 -0.29 0.00 0.00 176.35 177.21 1zgg s ASN 31 N 1.22 5.79 0.20 3.68 2.47 -1.26 -4.78 114.94 122.26 1zgg s ASN 31 Ca 0.45 0.11 -0.04 0.00 0.42 0.00 0.00 52.86 53.80 1zgg s ASN 31 Cb -0.15 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.07 1zgg s ASN 31 CO 0.07 -2.01 0.21 0.68 -3.72 0.00 0.00 177.10 172.33 1zgg s VAL 32 N 7.18 0.01 0.16 -5.21 -7.23 -1.26 -4.70 120.40 109.35 1zgg s VAL 32 Ca 0.54 -1.82 0.09 0.00 -1.81 0.00 0.00 61.98 58.98 1zgg s VAL 32 Cb -0.11 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1zgg s VAL 32 CO 0.20 -0.06 -0.20 0.21 -0.31 0.00 0.00 175.10 174.94 1zgg s ASN 33 N -3.11 2.83 0.04 4.85 2.47 -0.20 -5.01 114.94 116.82 1zgg s ASN 33 Ca 0.33 -0.84 -0.00 0.00 0.42 0.00 0.00 52.86 52.76 1zgg s ASN 33 Cb 0.05 -0.18 -0.03 0.00 -1.45 0.00 0.00 41.25 39.64 1zgg s ASN 33 CO 0.10 0.01 -0.03 0.68 -3.72 0.00 0.00 177.10 174.13 1zgg s VAL 34 N -1.85 0.23 0.26 -5.21 -7.23 -1.26 -1.48 120.40 103.87 1zgg s VAL 34 Ca 0.16 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1zgg s VAL 34 Cb -0.07 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 1zgg s VAL 34 CO 0.07 -0.80 0.12 -0.13 -0.31 0.00 0.00 175.10 174.05 1zgg s ARG 35 N -2.98 1.44 0.04 4.82 3.00 0.30 -4.89 118.95 120.66 1zgg s ARG 35 Ca -0.01 -1.79 0.04 0.00 0.00 0.00 0.00 55.73 53.97 1zgg s ARG 35 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 34.95 34.78 1zgg s ARG 35 CO -0.06 -0.35 -0.12 -1.12 0.00 0.00 0.00 175.30 173.65 1zgg s SER 36 N -3.31 1.41 0.21 0.23 0.01 -1.26 -1.16 113.70 109.82 1zgg s SER 36 Ca 0.37 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 57.15 1zgg s SER 36 Cb 0.07 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.24 1zgg s SER 36 CO 0.14 -0.01 0.33 0.00 0.41 0.00 0.00 173.24 174.11 1zgg n ALA 37 N 1.89 -0.46 -3.29 1.44 0.00 -0.50 -4.59 120.51 115.00 1zgg n ALA 37 Ca -0.18 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 1zgg n ALA 37 Cb 0.55 0.69 -0.07 0.00 0.00 0.00 0.00 19.45 20.62 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 -2.21 -0.35 0.56 0.00 0.00 -1.23 -2.72 107.32 101.38 1zgg s GLY 38 Ca 0.14 0.59 0.29 0.00 0.00 0.00 0.00 44.72 45.74 1zgg s GLY 38 CO 0.10 0.32 2.16 -0.39 0.00 0.00 0.00 173.10 175.29 1zgg h VAL 39 N 3.16 0.53 0.00 1.40 -1.51 -1.70 -0.25 116.25 117.87 1zgg h VAL 39 Ca -0.30 -0.29 -0.07 0.00 -1.23 0.00 0.00 66.70 64.81 1zgg h VAL 39 Cb 1.19 1.19 -0.15 0.00 -2.13 0.00 0.00 31.29 31.39 1zgg h VAL 39 CO 0.41 0.06 -0.64 0.49 -1.23 0.00 0.00 177.57 176.67 1zgg n PHE 40 N -3.71 0.00 -1.35 5.19 3.72 -0.28 -4.76 117.46 116.28 1zgg n PHE 40 Ca -0.02 -0.62 -0.29 0.00 -0.05 0.00 0.00 57.45 56.46 1zgg n PHE 40 Cb 0.17 -0.14 0.19 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 -1.04 1.24 0.02 4.37 0.00 -1.13 -4.69 121.76 120.53 1zgg s ALA 41 Ca 0.25 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1zgg s ALA 41 Cb 0.26 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1zgg s ALA 41 CO -0.07 -2.90 -0.03 -1.12 0.00 0.00 0.00 175.76 171.64 1zgg s SER 42 N -3.98 0.30 0.00 0.00 0.01 -1.26 -4.06 113.70 104.71 1zgg s SER 42 Ca 0.68 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1zgg s SER 42 Cb -0.12 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1zgg s SER 42 CO 0.55 -0.21 0.63 -2.65 0.41 0.00 0.00 173.24 171.97 1zgg n PRO 43 N 1.93 0.00 -1.13 12.44 -0.02 -1.26 -1.87 135.00 145.09 1zgg n PRO 43 Ca -0.21 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1zgg n PRO 43 Cb 0.56 -1.51 0.02 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.13 0.67 -4.81 2.55 5.15 -1.26 -4.62 115.26 111.80 1zgg n ASN 44 Ca 0.00 -2.03 -0.31 0.00 -0.60 0.00 0.00 54.58 51.65 1zgg n ASN 44 Cb 0.01 -0.27 0.07 0.00 -0.53 0.00 0.00 39.78 39.06 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 -1.67 1.65 0.20 8.20 0.00 -0.78 -4.92 107.32 110.00 1zgg s GLY 45 Ca 0.22 -0.02 -0.17 0.00 0.00 0.00 0.00 44.72 44.75 1zgg s GLY 45 CO -0.11 0.33 0.50 -1.59 0.00 0.00 0.00 173.10 172.24 1zgg s LYS 46 N -5.08 1.37 0.17 2.90 -2.85 -1.26 -0.50 119.74 114.48 1zgg s LYS 46 Ca 0.59 -0.91 -0.32 0.00 -1.00 0.00 0.00 55.97 54.33 1zgg s LYS 46 Cb -0.14 0.51 -0.16 0.00 -2.06 0.00 0.00 37.83 35.98 1zgg s LYS 46 CO 0.55 -0.58 1.07 0.00 0.10 0.00 0.00 175.35 176.50 1zgg n ALA 47 N -0.33 -1.20 -1.57 0.59 0.00 -0.60 -4.86 120.51 112.53 1zgg n ALA 47 Ca -0.09 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 1zgg n ALA 47 Cb 0.62 -1.96 0.07 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.34 3.61 -0.18 0.00 -4.23 -1.26 -4.78 115.64 108.46 1zgg s THR 48 Ca 0.72 0.52 0.10 0.00 -1.18 0.00 0.00 61.69 61.85 1zgg s THR 48 Cb -0.88 -3.27 0.10 0.00 1.34 0.00 0.00 72.50 69.78 1zgg s THR 48 CO 0.54 -0.68 1.17 -2.65 -0.54 0.00 0.00 174.62 172.46 1zgg n PRO 49 N -3.26 0.07 -0.02 3.99 -0.02 -1.26 -1.75 135.00 132.75 1zgg n PRO 49 Ca 0.07 0.50 -0.03 0.00 -2.02 0.00 0.00 63.50 62.02 1zgg n PRO 49 Cb 0.55 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 1zgg n PRO 49 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1zgg n HIS 50 N -1.85 0.00 -0.01 6.00 8.25 -1.26 -3.94 115.22 122.42 1zgg n HIS 50 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1zgg n HIS 50 Cb 0.27 -0.21 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 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 0.15 0.11 -0.53 -1.41 0.00 -1.89 0.61 119.26 116.30 1zgg h ALA 51 Ca -0.12 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1zgg h ALA 51 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1zgg h ALA 51 CO -0.00 -0.32 0.06 -0.24 0.00 0.00 0.00 179.25 178.75 1zgg h VAL 52 N 0.01 1.24 -0.12 0.00 3.04 -1.60 -1.57 116.25 117.25 1zgg h VAL 52 Ca 0.03 -0.96 -0.18 0.00 -1.01 0.00 0.00 66.70 64.58 1zgg h VAL 52 Cb 0.14 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 30.19 1zgg h VAL 52 CO -0.00 0.35 -0.67 -0.08 -1.01 0.00 0.00 177.57 176.16 1zgg h GLU 53 N 0.81 0.48 -0.64 4.17 4.81 -1.65 0.12 114.58 122.68 1zgg h GLU 53 Ca 0.16 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1zgg h GLU 53 Cb 0.41 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1zgg h GLU 53 CO 0.01 0.98 0.25 0.00 -0.73 0.00 0.00 179.01 179.53 1zgg h ALA 54 N 0.92 0.83 0.00 2.92 0.00 -0.47 0.44 119.26 123.91 1zgg h ALA 54 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1zgg h ALA 54 Cb 1.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1zgg h ALA 54 CO 0.12 0.45 0.00 -0.07 0.00 0.00 0.00 179.25 179.75 1zgg h LEU 55 N 0.90 0.00 -0.42 0.00 -0.00 -1.18 -1.40 115.31 113.21 1zgg h LEU 55 Ca 0.21 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.92 1zgg h LEU 55 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1zgg h LEU 55 CO -0.02 0.00 -0.60 0.15 -0.00 0.00 0.00 178.44 177.97 1zgg h PHE 56 N 0.00 0.79 -0.72 1.13 3.57 -0.17 0.12 116.94 121.66 1zgg h PHE 56 Ca 0.00 -0.30 -0.05 0.00 3.53 0.00 0.00 57.97 61.15 1zgg h PHE 56 Cb 0.93 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1zgg h PHE 56 CO 0.00 1.06 0.24 1.49 -2.23 0.00 0.00 178.31 178.87 1zgg h GLU 57 N 0.46 1.10 0.00 1.11 4.22 -0.76 -0.37 114.58 120.35 1zgg h GLU 57 Ca -0.00 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.22 1zgg h GLU 57 Cb 1.17 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1zgg h GLU 57 CO 0.12 0.93 0.00 1.17 -2.18 0.00 0.00 179.01 179.04 1zgg n LYS 58 N -4.26 0.07 -3.06 1.92 3.00 -0.54 -4.90 118.16 110.39 1zgg n LYS 58 Ca 0.06 0.42 -0.13 0.00 -0.00 0.00 0.00 58.31 58.66 1zgg n LYS 58 Cb 0.21 -1.67 0.07 0.00 0.00 0.00 0.00 35.03 33.64 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 -1.82 -1.69 0.00 5.64 -0.00 -0.15 -4.96 115.22 112.24 1zgg n HIS 59 Ca 0.02 0.71 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 1zgg n HIS 59 Cb 0.12 -4.28 0.00 0.00 -0.00 0.00 0.00 29.99 25.83 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 -3.32 0.00 -3.69 3.57 5.41 0.33 -5.01 119.36 116.66 1zgg n ILE 60 Ca -0.20 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.29 1zgg n ILE 60 Cb 0.63 0.03 0.03 0.00 -0.71 0.00 0.00 39.64 39.62 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 -1.28 -2.32 -0.12 -1.39 0.00 -1.10 -4.86 120.51 109.44 1zgg n ALA 61 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1zgg n ALA 61 Cb 0.11 -3.33 -0.03 0.00 0.00 0.00 0.00 19.45 16.21 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 -4.14 -0.30 -2.34 0.00 0.00 -1.26 -4.91 117.00 104.05 1zgg n LEU 62 Ca -0.18 0.54 0.00 0.00 0.00 0.00 0.00 56.01 56.38 1zgg n LEU 62 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 43.42 43.97 1zgg n LEU 62 CO 0.68 -0.43 -0.29 0.59 0.00 0.00 0.00 177.39 177.94 1zgg n ASN 63 N -4.15 -4.72 -4.05 1.96 3.02 -1.26 -4.99 115.26 101.08 1zgg n ASN 63 Ca 0.01 0.35 -0.14 0.00 -0.03 0.00 0.00 54.58 54.76 1zgg n ASN 63 Cb 0.07 -1.09 -0.12 0.00 -0.61 0.00 0.00 39.78 38.03 1zgg n ASN 63 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1zgg s HIS 64 N -0.57 0.68 -0.11 3.10 2.46 -1.26 -5.04 115.29 114.55 1zgg s HIS 64 Ca 0.00 -0.41 0.01 0.00 0.47 0.00 0.00 55.06 55.13 1zgg s HIS 64 Cb 0.00 -0.41 0.02 0.00 -0.13 0.00 0.00 32.58 32.06 1zgg s HIS 64 CO 0.00 -0.06 -0.14 0.08 -2.47 0.00 0.00 174.74 172.15 1zgg s VAL 65 N -1.12 1.42 1.16 0.89 1.01 -1.26 -1.56 120.40 120.94 1zgg s VAL 65 Ca -0.07 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1zgg s VAL 65 Cb -0.08 -1.31 0.27 0.00 0.00 0.00 0.00 36.38 35.25 1zgg s VAL 65 CO 0.00 0.43 1.05 -0.44 0.00 0.00 0.00 175.10 176.14 1zgg s SER 66 N 1.04 1.18 -0.02 3.32 0.01 0.34 -4.97 113.70 114.60 1zgg s SER 66 Ca -0.06 1.09 -0.29 0.00 1.31 0.00 0.00 55.95 58.00 1zgg s SER 66 Cb -0.15 -1.66 0.09 0.00 0.21 0.00 0.00 66.02 64.51 1zgg s SER 66 CO -0.02 -4.02 0.76 -0.44 0.41 0.00 0.00 173.24 169.93 1zgg s SER 67 N -3.25 -0.54 0.34 2.44 0.01 -1.23 -4.04 113.70 107.44 1zgg s SER 67 Ca 0.68 0.40 -0.27 0.00 1.31 0.00 0.00 55.95 58.07 1zgg s SER 67 Cb -0.18 0.48 -0.09 0.00 0.21 0.00 0.00 66.02 66.44 1zgg s SER 67 CO 0.59 -0.63 1.14 -2.16 0.41 0.00 0.00 173.24 172.59 1zgg s PRO 68 N -1.97 4.36 -0.28 12.44 0.04 -1.26 -3.49 135.00 144.84 1zgg s PRO 68 Ca -0.04 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1zgg s PRO 68 Cb -0.00 -2.93 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1zgg s PRO 68 CO 0.01 -0.05 1.78 -1.17 0.04 0.00 0.00 177.00 177.61 1zgg s LEU 69 N -1.97 3.62 0.18 -3.56 2.96 -0.12 -4.82 118.68 114.98 1zgg s LEU 69 Ca 0.51 1.46 0.03 0.00 -0.22 0.00 0.00 54.13 55.90 1zgg s LEU 69 Cb -0.31 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 1zgg s LEU 69 CO 0.40 -1.59 -0.02 0.42 -1.32 0.00 0.00 176.35 174.24 1zgg s THR 70 N 6.46 0.85 0.29 3.68 -4.23 -1.26 -4.79 115.64 116.63 1zgg s THR 70 Ca 0.79 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 1zgg s THR 70 Cb -0.24 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.52 1zgg s THR 70 CO 0.33 -0.50 1.70 -0.08 -0.54 0.00 0.00 174.62 175.53 1zgg h GLU 71 N 2.66 0.28 -0.45 3.99 4.81 -1.99 -1.45 114.58 122.43 1zgg h GLU 71 Ca -0.37 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 1zgg h GLU 71 Cb 1.21 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1zgg h GLU 71 CO 0.63 0.63 -0.08 1.05 -0.73 0.00 0.00 179.01 180.52 1zgg h GLU 72 N 0.23 0.79 -0.34 1.92 4.11 -1.98 0.10 114.58 119.42 1zgg h GLU 72 Ca 0.02 -0.25 -0.11 0.00 0.07 0.00 0.00 59.36 59.10 1zgg h GLU 72 Cb 0.80 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1zgg h GLU 72 CO 0.06 0.85 -0.21 1.25 0.07 0.00 0.00 179.01 181.04 1zgg h LEU 73 N 0.73 0.77 -0.50 3.06 5.85 -1.72 -0.55 115.31 122.95 1zgg h LEU 73 Ca 0.13 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1zgg h LEU 73 Cb 0.55 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1zgg h LEU 73 CO 0.03 1.03 0.22 -0.03 -0.34 0.00 0.00 178.44 179.35 1zgg h MET 74 N 0.52 0.42 -0.19 1.25 4.05 -0.92 -0.86 114.93 119.19 1zgg h MET 74 Ca 0.07 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.35 1zgg h MET 74 Cb 0.76 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1zgg h MET 74 CO 0.06 0.28 -0.39 0.93 0.23 0.00 0.00 176.91 178.02 1zgg h GLU 75 N 0.43 0.43 -0.44 0.39 5.08 -0.67 -3.01 114.58 116.79 1zgg h GLU 75 Ca 0.23 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1zgg h GLU 75 Cb 0.19 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1zgg h GLU 75 CO -0.19 0.76 -0.17 0.77 -1.00 0.00 0.00 179.01 179.17 1zgg h SER 76 N 0.36 0.86 -3.91 1.42 0.02 -0.53 -3.46 113.55 108.32 1zgg h SER 76 Ca 0.03 -0.30 -0.46 0.00 -0.84 0.00 0.00 61.79 60.23 1zgg h SER 76 Cb 0.85 -0.24 0.12 0.00 0.14 0.00 0.00 62.40 63.27 1zgg h SER 76 CO 0.07 1.03 0.34 0.00 -1.14 0.00 0.00 176.83 177.13 1zgg s ALA 77 N -4.71 2.70 0.00 3.77 0.00 -0.38 -4.92 121.76 118.22 1zgg s ALA 77 Ca -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1zgg s ALA 77 Cb 0.13 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1zgg s ALA 77 CO 0.84 -1.90 0.00 -3.47 0.00 0.00 0.00 175.76 171.23 1zgg n ASP 78 N -3.37 0.71 -3.88 0.00 2.03 -0.17 -4.94 116.55 106.93 1zgg n ASP 78 Ca 0.12 -0.19 -0.11 0.00 0.52 0.00 0.00 54.79 55.13 1zgg n ASP 78 Cb 0.60 0.53 -0.11 0.00 -0.72 0.00 0.00 41.12 41.42 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 -1.19 1.72 -0.02 -2.67 2.96 -0.09 -4.89 118.68 114.50 1zgg s LEU 79 Ca 0.00 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1zgg s LEU 79 Cb 0.00 0.44 -0.01 0.00 0.50 0.00 0.00 46.19 47.12 1zgg s LEU 79 CO 0.00 -0.24 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.97 1zgg s VAL 80 N -0.91 1.06 -0.38 1.68 1.01 -0.26 -1.18 120.40 121.41 1zgg s VAL 80 Ca -0.10 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1zgg s VAL 80 Cb -0.06 -0.89 0.13 0.00 0.00 0.00 0.00 36.38 35.56 1zgg s VAL 80 CO 0.00 0.30 0.21 -0.22 0.00 0.00 0.00 175.10 175.40 1zgg s LEU 81 N -0.21 1.73 0.17 3.92 0.20 0.22 -1.09 118.68 123.61 1zgg s LEU 81 Ca 0.03 -2.29 -0.16 0.00 0.69 0.00 0.00 54.13 52.40 1zgg s LEU 81 Cb -0.06 -0.68 -0.07 0.00 -0.43 0.00 0.00 46.19 44.94 1zgg s LEU 81 CO -0.00 -0.30 0.60 0.00 -0.29 0.00 0.00 176.35 176.35 1zgg s ALA 82 N 0.86 3.53 -1.53 5.97 0.00 -0.00 -1.35 121.76 129.24 1zgg s ALA 82 Ca 0.17 -0.05 0.24 0.00 0.00 0.00 0.00 51.96 52.32 1zgg s ALA 82 Cb -0.23 -2.61 0.34 0.00 0.00 0.00 0.00 23.12 20.62 1zgg s ALA 82 CO -0.02 0.42 1.30 -1.33 0.00 0.00 0.00 175.76 176.12 1zgg n MET 83 N 0.79 0.61 -3.94 0.00 0.00 -0.41 -0.27 117.12 113.90 1zgg n MET 83 Ca -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 57.70 57.13 1zgg n MET 83 Cb 0.52 -1.49 -0.10 0.00 0.00 0.00 0.00 33.22 32.15 1zgg n MET 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1zgg s THR 84 N -2.69 0.12 0.22 2.03 -4.23 -1.26 -4.37 115.64 105.46 1zgg s THR 84 Ca 0.17 -1.02 0.22 0.00 -1.18 0.00 0.00 61.69 59.88 1zgg s THR 84 Cb 0.18 -0.67 0.20 0.00 1.34 0.00 0.00 72.50 73.55 1zgg s THR 84 CO 0.63 -0.56 1.84 -0.74 -0.54 0.00 0.00 174.62 175.25 1zgg h HIS 85 N 4.03 0.00 -0.21 3.99 2.76 -1.88 -1.29 115.15 122.56 1zgg h HIS 85 Ca -0.32 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1zgg h HIS 85 Cb 1.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 1zgg h HIS 85 CO 0.59 0.27 0.14 0.37 -1.30 0.00 0.00 177.93 178.00 1zgg h GLN 86 N 0.00 0.28 -0.81 5.26 4.15 -1.99 -1.22 115.11 120.79 1zgg h GLN 86 Ca -0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1zgg h GLN 86 Cb 0.72 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 1zgg h GLN 86 CO 0.04 0.19 0.43 1.25 -1.93 0.00 0.00 178.83 178.81 1zgg h HIS 87 N 0.28 1.12 -0.77 3.99 2.76 -1.79 0.63 115.15 121.37 1zgg h HIS 87 Ca 0.08 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1zgg h HIS 87 Cb -0.02 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.53 1zgg h HIS 87 CO -0.06 0.78 0.49 -0.22 -1.30 0.00 0.00 177.93 177.62 1zgg h LYS 88 N 1.14 0.92 -0.22 5.26 3.64 -1.01 -0.86 116.57 125.44 1zgg h LYS 88 Ca 0.28 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1zgg h LYS 88 Cb 0.05 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1zgg h LYS 88 CO -0.04 0.61 -0.35 1.96 -2.27 0.00 0.00 179.45 179.36 1zgg h GLN 89 N 0.95 0.46 -0.40 1.90 4.20 -0.15 -1.47 115.11 120.60 1zgg h GLN 89 Ca 0.31 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1zgg h GLN 89 Cb 0.03 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1zgg h GLN 89 CO -0.12 0.75 0.08 0.82 -0.67 0.00 0.00 178.83 179.70 1zgg h ILE 90 N 0.39 1.23 -0.28 2.54 2.04 -0.39 0.17 117.51 123.22 1zgg h ILE 90 Ca 0.04 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.13 1zgg h ILE 90 Cb 0.80 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1zgg h ILE 90 CO 0.06 0.28 -0.01 0.40 0.00 0.00 0.00 178.15 178.89 1zgg h ILE 91 N 0.51 0.79 -0.97 -0.67 2.04 -0.96 -0.34 117.51 117.90 1zgg h ILE 91 Ca 0.12 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1zgg h ILE 91 Cb 0.34 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1zgg h ILE 91 CO 0.00 0.01 0.64 0.00 0.00 0.00 0.00 178.15 178.81 1zgg h ALA 92 N 1.24 1.27 -0.21 1.87 0.00 -0.97 -1.60 119.26 120.86 1zgg h ALA 92 Ca 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1zgg h ALA 92 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1zgg h ALA 92 CO -0.23 0.56 -0.50 0.77 0.00 0.00 0.00 179.25 179.85 1zgg h SER 93 N 1.26 0.64 0.57 0.00 0.02 -0.12 0.36 113.55 116.30 1zgg h SER 93 Ca 0.38 -0.33 -0.29 0.00 -0.84 0.00 0.00 61.79 60.72 1zgg h SER 93 Cb -0.06 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.31 1zgg h SER 93 CO -0.11 1.03 -1.28 0.06 -1.14 0.00 0.00 176.83 175.39 1zgg h GLN 94 N 0.46 0.32 0.00 3.45 3.07 -0.77 -3.36 115.11 118.28 1zgg h GLN 94 Ca 0.02 -0.54 0.00 0.00 0.09 0.00 0.00 58.65 58.21 1zgg h GLN 94 Cb 1.04 0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.80 1zgg h GLN 94 CO 0.10 1.26 -1.30 1.19 0.09 0.00 0.00 178.83 180.17 1zgg n PHE 95 N -3.57 0.20 -1.02 0.06 3.72 -0.63 -5.00 117.46 111.22 1zgg n PHE 95 Ca -0.10 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1zgg n PHE 95 Cb 1.04 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 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 1.34 0.87 3.67 1.37 0.00 -0.44 -4.59 105.19 107.42 1zgg n GLY 96 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.96 -3.80 0.00 1.61 0.63 -0.01 -4.88 116.66 109.25 1zgg n ARG 97 Ca 0.00 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1zgg n ARG 97 Cb 0.33 -4.98 0.00 0.00 0.45 0.00 0.00 32.46 28.25 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 -4.16 0.00 -0.18 -0.14 4.02 -1.26 -4.47 117.16 110.96 1zgg n TYR 98 Ca -0.24 0.00 0.29 0.00 -0.01 0.00 0.00 57.90 57.94 1zgg n TYR 98 Cb 0.66 -0.02 0.73 0.00 -0.02 0.00 0.00 39.34 40.68 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 0.06 0.00 0.00 -0.72 2.43 -1.90 -1.44 114.38 112.81 1zgg h ARG 99 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1zgg h ARG 99 Cb 0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1zgg h ARG 99 CO 0.00 0.00 -0.02 0.38 -1.51 0.00 0.00 179.97 178.82 1zgg h ASP 100 N 0.00 0.00 1.47 -3.80 2.03 -2.01 -0.47 116.42 113.64 1zgg h ASP 100 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 1zgg h ASP 100 Cb 1.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.26 1zgg h ASP 100 CO -0.00 0.02 0.00 0.50 -1.03 0.00 0.00 179.24 178.73 1zgg h LYS 101 N 0.00 0.00 -5.62 4.15 3.64 -1.63 -3.46 116.57 113.65 1zgg h LYS 101 Ca -0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 1zgg h LYS 101 Cb 0.05 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 1zgg h LYS 101 CO 0.00 0.00 -0.49 0.08 -2.27 0.00 0.00 179.45 176.77 1zgg s VAL 102 N -3.12 5.40 0.04 2.00 1.01 -0.19 -1.11 120.40 124.44 1zgg s VAL 102 Ca 0.10 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1zgg s VAL 102 Cb 0.12 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1zgg s VAL 102 CO 0.59 0.60 -0.13 -0.36 0.00 0.00 0.00 175.10 175.79 1zgg s PHE 103 N -0.84 1.17 0.59 5.22 0.40 -0.25 -4.96 117.98 119.30 1zgg s PHE 103 Ca 0.14 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 55.96 1zgg s PHE 103 Cb -0.12 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 1zgg s PHE 103 CO 0.03 0.03 1.04 0.99 0.70 0.00 0.00 175.22 178.01 1zgg s THR 104 N -0.86 3.99 0.12 0.64 2.01 -1.26 -0.82 115.64 119.46 1zgg s THR 104 Ca 0.01 0.92 -0.19 0.00 0.31 0.00 0.00 61.69 62.73 1zgg s THR 104 Cb -0.08 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.91 1zgg s THR 104 CO 0.01 -0.58 1.77 0.25 -0.69 0.00 0.00 174.62 175.38 1zgg h LEU 105 N 0.43 0.18 -0.41 4.42 5.85 -0.74 -0.55 115.31 124.49 1zgg h LEU 105 Ca -0.47 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.08 1zgg h LEU 105 Cb 1.21 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1zgg h LEU 105 CO 0.58 0.14 -0.66 0.11 -0.34 0.00 0.00 178.44 178.27 1zgg h LYS 106 N 0.24 0.53 -0.75 1.25 1.79 -1.76 -3.29 116.57 114.59 1zgg h LYS 106 Ca 0.08 -0.39 0.10 0.00 -2.18 0.00 0.00 60.65 58.26 1zgg h LYS 106 Cb -0.00 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.64 1zgg h LYS 106 CO -0.04 1.01 0.39 1.49 -1.08 0.00 0.00 179.45 181.22 1zgg h GLU 107 N 0.38 0.62 0.00 3.15 4.81 -0.18 0.26 114.58 123.64 1zgg h GLU 107 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1zgg h GLU 107 Cb 1.23 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1zgg h GLU 107 CO 0.12 0.41 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.85 1zgg h TYR 108 N 0.64 0.00 0.00 0.92 3.20 -1.21 -2.99 116.97 117.53 1zgg h TYR 108 Ca 0.37 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 1zgg h TYR 108 Cb 0.40 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1zgg h TYR 108 CO -0.10 0.04 -0.16 0.28 -1.64 0.00 0.00 178.16 176.58 1zgg n VAL 109 N -3.19 1.28 0.12 1.81 0.31 -0.23 -4.77 118.33 113.65 1zgg n VAL 109 Ca -0.00 0.37 -0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1zgg n VAL 109 Cb 0.28 -1.71 0.02 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.16 1.16 0.00 2.52 1.35 -0.75 -3.48 112.91 113.55 1zgg h THR 110 Ca -0.00 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 1zgg h THR 110 Cb 0.16 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1zgg h THR 110 CO -0.00 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1zgg n GLY 111 N 1.10 0.86 2.91 5.82 0.00 -1.13 -5.03 105.19 109.72 1zgg n GLY 111 Ca 0.01 0.00 -0.14 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 -2.26 0.27 0.42 1.61 0.01 -1.26 -4.89 113.70 107.61 1zgg s SER 112 Ca 0.00 -0.04 -0.27 0.00 1.31 0.00 0.00 55.95 56.95 1zgg s SER 112 Cb 0.00 -0.04 -0.10 0.00 0.21 0.00 0.00 66.02 66.10 1zgg s SER 112 CO 0.00 0.02 1.47 1.41 0.41 0.00 0.00 173.24 176.56 1zgg n HIS 113 N 3.05 2.90 0.00 2.43 -0.00 -1.26 -1.49 115.22 120.85 1zgg n HIS 113 Ca -0.13 0.44 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 1zgg n HIS 113 Cb 0.59 -2.50 0.00 0.00 -0.00 0.00 0.00 29.99 28.08 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 0.49 -0.98 3.28 -1.41 0.00 -1.26 -4.82 105.19 100.50 1zgg n GLY 114 Ca 0.03 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 1.13 0.00 1.61 2.15 -1.26 -3.04 116.67 117.26 1zgg s ASP 115 Ca 0.00 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 51.66 1zgg s ASP 115 Cb 0.00 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 1zgg s ASP 115 CO 0.00 -0.69 0.00 0.52 -0.17 0.00 0.00 175.17 174.83 1zgg n VAL 116 N -0.38 0.00 -3.64 1.11 0.31 -1.26 -4.88 118.33 109.59 1zgg n VAL 116 Ca -0.02 0.12 -0.04 0.00 -0.01 0.00 0.00 64.34 64.38 1zgg n VAL 116 Cb 0.65 -0.97 -0.07 0.00 -0.91 0.00 0.00 33.84 32.54 1zgg n VAL 116 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1zgg s LEU 117 N -3.14 -0.63 -0.61 7.52 0.20 -1.26 -5.11 118.68 115.65 1zgg s LEU 117 Ca 0.00 1.02 -0.18 0.00 0.69 0.00 0.00 54.13 55.66 1zgg s LEU 117 Cb 0.00 1.94 0.12 0.00 -0.43 0.00 0.00 46.19 47.82 1zgg s LEU 117 CO 0.00 -0.16 0.68 -0.62 -0.29 0.00 0.00 176.35 175.95 1zgg s ASP 118 N 1.33 6.25 0.00 3.68 2.15 -1.26 -4.94 116.67 123.88 1zgg s ASP 118 Ca -0.08 -1.66 0.31 0.00 0.43 0.00 0.00 52.55 51.55 1zgg s ASP 118 Cb -0.04 -2.28 1.76 0.00 -0.30 0.00 0.00 42.92 42.07 1zgg s ASP 118 CO -0.15 -1.01 2.16 -0.81 -0.17 0.00 0.00 175.17 175.19 1zgg n PRO 119 N 5.88 0.83 -1.52 4.34 -0.04 -1.26 -4.94 135.00 138.28 1zgg n PRO 119 Ca -0.07 -0.02 -0.52 0.00 -0.04 0.00 0.00 63.50 62.85 1zgg n PRO 119 Cb 0.42 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.07 1.76 -0.70 0.54 7.35 -1.26 -0.46 117.46 123.62 1zgg n PHE 120 Ca 0.21 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1zgg n PHE 120 Cb 0.16 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.46 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 5.88 0.78 3.76 7.13 0.00 -1.26 -5.06 105.19 116.41 1zgg n GLY 121 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.81 1.65 0.94 -0.02 0.00 0.39 -5.07 107.32 103.40 1zgg s GLY 122 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 1zgg s GLY 122 CO 0.00 -0.16 1.10 -1.35 0.00 0.00 0.00 173.10 172.68 1zgg s SER 123 N -4.27 3.10 0.42 1.64 1.04 -1.26 -4.89 113.70 109.48 1zgg s SER 123 Ca 0.70 1.27 0.17 0.00 0.48 0.00 0.00 55.95 58.57 1zgg s SER 123 Cb -0.09 -1.94 1.06 0.00 0.10 0.00 0.00 66.02 65.15 1zgg s SER 123 CO 0.54 -2.84 1.87 -0.29 0.98 0.00 0.00 173.24 173.50 1zgg h ILE 124 N -1.69 0.71 -0.58 -1.02 6.09 -1.96 -0.50 117.51 118.56 1zgg h ILE 124 Ca -0.52 -0.15 -0.02 0.00 -1.37 0.00 0.00 64.86 62.80 1zgg h ILE 124 Cb 1.31 0.24 -0.03 0.00 0.47 0.00 0.00 36.82 38.82 1zgg h ILE 124 CO 0.57 0.08 0.26 -0.78 -3.07 0.00 0.00 178.15 175.21 1zgg h ASP 125 N 0.43 0.74 -0.58 2.19 3.58 -1.97 0.12 116.42 120.94 1zgg h ASP 125 Ca 0.45 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.75 1zgg h ASP 125 Cb 1.07 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 1zgg h ASP 125 CO -0.17 0.65 0.10 0.40 -2.88 0.00 0.00 179.24 177.34 1zgg h ILE 126 N 0.82 1.26 -0.22 2.25 1.08 -1.43 0.14 117.51 121.40 1zgg h ILE 126 Ca 0.20 -0.97 -0.08 0.00 -0.39 0.00 0.00 64.86 63.62 1zgg h ILE 126 Cb 0.12 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1zgg h ILE 126 CO -0.02 0.36 -0.22 1.88 -0.69 0.00 0.00 178.15 179.45 1zgg h TYR 127 N 0.86 0.45 -0.15 1.37 -1.99 -1.30 -1.44 116.97 114.76 1zgg h TYR 127 Ca 0.18 -0.08 -0.16 0.00 2.00 0.00 0.00 58.73 60.66 1zgg h TYR 127 Cb 0.41 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1zgg h TYR 127 CO 0.03 0.60 -0.59 1.57 -0.00 0.00 0.00 178.16 179.78 1zgg h LYS 128 N 0.37 0.50 -0.46 4.88 5.09 0.22 0.14 116.57 127.31 1zgg h LYS 128 Ca 0.06 -0.33 -0.04 0.00 0.09 0.00 0.00 60.65 60.43 1zgg h LYS 128 Cb 0.59 0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.95 1zgg h LYS 128 CO 0.04 0.94 0.15 1.96 -2.09 0.00 0.00 179.45 180.45 1zgg h GLN 129 N 0.38 0.72 -0.04 0.07 1.08 -0.60 -2.87 115.11 113.85 1zgg h GLN 129 Ca -0.00 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1zgg h GLN 129 Cb 1.13 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1zgg h GLN 129 CO 0.11 0.68 -0.03 1.15 -0.95 0.00 0.00 178.83 179.79 1zgg h THR 130 N 0.61 0.92 -0.12 -0.54 2.02 -0.94 -2.69 112.91 112.17 1zgg h THR 130 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1zgg h THR 130 Cb 0.26 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1zgg h THR 130 CO -0.01 0.00 -0.07 0.08 0.37 0.00 0.00 175.52 175.90 1zgg h ARG 131 N -0.03 0.17 -0.25 6.66 0.11 -0.90 0.10 114.38 120.25 1zgg h ARG 131 Ca 0.03 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.96 1zgg h ARG 131 Cb 0.06 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.11 1zgg h ARG 131 CO -0.06 0.25 -0.29 0.22 0.10 0.00 0.00 179.97 180.20 1zgg h ASP 132 N 0.17 0.68 -0.03 0.08 3.58 -1.26 0.22 116.42 119.86 1zgg h ASP 132 Ca 0.04 -0.49 -0.20 0.00 0.42 0.00 0.00 57.03 56.80 1zgg h ASP 132 Cb 0.23 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1zgg h ASP 132 CO 0.01 1.04 -0.69 -0.08 -2.88 0.00 0.00 179.24 176.64 1zgg h GLU 133 N 0.34 0.67 -0.80 0.28 4.81 -1.14 -2.90 114.58 115.85 1zgg h GLU 133 Ca 0.03 -0.50 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1zgg h GLU 133 Cb 0.86 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 1zgg h GLU 133 CO 0.07 1.12 0.42 1.25 -0.73 0.00 0.00 179.01 181.14 1zgg h LEU 134 N 0.47 1.01 -0.34 1.64 5.85 -0.77 -0.73 115.31 122.45 1zgg h LEU 134 Ca -0.03 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1zgg h LEU 134 Cb 1.29 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1zgg h LEU 134 CO 0.14 0.83 0.13 -0.08 -0.34 0.00 0.00 178.44 179.12 1zgg h GLU 135 N 1.12 0.52 -0.62 1.25 4.81 -0.93 0.21 114.58 120.94 1zgg h GLU 135 Ca 0.28 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1zgg h GLU 135 Cb 0.06 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1zgg h GLU 135 CO -0.04 0.52 0.26 1.49 -0.73 0.00 0.00 179.01 180.50 1zgg h GLU 136 N 0.41 0.92 -0.37 1.92 4.57 -1.22 0.89 114.58 121.69 1zgg h GLU 136 Ca 0.11 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1zgg h GLU 136 Cb 0.20 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1zgg h GLU 136 CO -0.01 0.77 0.14 1.25 -1.18 0.00 0.00 179.01 179.99 1zgg h LEU 137 N 0.86 0.52 -0.91 1.64 6.46 -1.03 -2.71 115.31 120.14 1zgg h LEU 137 Ca 0.21 -0.17 -0.08 0.00 -0.12 0.00 0.00 57.88 57.72 1zgg h LEU 137 Cb 0.19 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1zgg h LEU 137 CO -0.02 0.55 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.92 1zgg h LEU 138 N 0.45 0.00 -0.46 2.25 3.38 -0.35 0.11 115.31 120.68 1zgg h LEU 138 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1zgg h LEU 138 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1zgg h LEU 138 CO -0.01 0.36 0.13 -0.09 0.09 0.00 0.00 178.44 178.92 1zgg h ARG 139 N 0.00 0.73 -0.22 1.13 1.12 -0.73 -0.01 114.38 116.40 1zgg h ARG 139 Ca -0.00 -0.16 -0.10 0.00 -1.11 0.00 0.00 59.98 58.60 1zgg h ARG 139 Cb 0.90 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 1zgg h ARG 139 CO 0.05 0.70 -0.29 1.96 -3.11 0.00 0.00 179.97 179.28 1zgg h GLN 140 N 0.62 0.44 -0.80 0.20 4.20 -1.05 -2.19 115.11 116.52 1zgg h GLN 140 Ca 0.15 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1zgg h GLN 140 Cb 0.29 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1zgg h GLN 140 CO -0.00 0.69 0.45 1.25 -0.67 0.00 0.00 178.83 180.55 1zgg h LEU 141 N 0.38 0.99 -0.59 1.46 6.46 -0.34 0.99 115.31 124.65 1zgg h LEU 141 Ca 0.05 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.67 1zgg h LEU 141 Cb 0.71 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1zgg h LEU 141 CO 0.05 0.79 0.12 0.00 -0.62 0.00 0.00 178.44 178.78 1zgg h ALA 142 N 1.38 0.79 -0.46 1.25 0.00 -0.77 -0.30 119.26 121.14 1zgg h ALA 142 Ca 0.28 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1zgg h ALA 142 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1zgg h ALA 142 CO -0.05 0.52 0.24 0.87 0.00 0.00 0.00 179.25 180.83 1zgg h LYS 143 N 0.88 0.46 -0.10 0.00 1.57 -0.70 -1.40 116.57 117.28 1zgg h LYS 143 Ca 0.18 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1zgg h LYS 143 Cb 0.39 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1zgg h LYS 143 CO 0.01 0.31 -0.06 1.96 -0.57 0.00 0.00 179.45 181.10 1zgg h GLN 144 N 0.48 -0.05 -0.57 3.15 1.08 -0.42 -0.40 115.11 118.37 1zgg h GLN 144 Ca 0.20 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.36 1zgg h GLN 144 Cb 0.09 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1zgg h GLN 144 CO -0.13 -0.03 0.21 -0.07 -0.95 0.00 0.00 178.83 177.86 1zgg h LEU 145 N -0.05 0.81 -1.07 1.46 3.38 -0.72 0.08 115.31 119.20 1zgg h LEU 145 Ca 0.06 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1zgg h LEU 145 Cb 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1zgg h LEU 145 CO -0.14 0.77 -0.35 0.11 0.09 0.00 0.00 178.44 178.92 1zgg h LYS 146 N 0.79 0.21 0.11 1.13 1.57 -1.12 -2.99 116.57 116.27 1zgg h LYS 146 Ca 0.19 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1zgg h LYS 146 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1zgg h LYS 146 CO -0.01 0.54 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.13 1zgg h LYS 147 N 0.18 -0.14 -1.76 3.15 3.64 -0.35 -3.47 116.57 117.82 1zgg h LYS 147 Ca 0.02 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1zgg h LYS 147 Cb 0.71 0.03 -0.21 0.00 -0.41 0.00 0.00 32.23 32.35 1zgg h LYS 147 CO 0.05 0.10 0.38 0.34 -2.27 0.00 0.00 179.45 178.06 1zgg s ASP 148 N -5.27 -0.50 0.49 4.20 2.15 -0.05 -5.05 116.67 112.63 1zgg s ASP 148 Ca -0.15 0.56 0.32 0.00 0.43 0.00 0.00 52.55 53.72 1zgg s ASP 148 Cb 0.04 0.43 1.45 0.00 -0.30 0.00 0.00 42.92 44.54 1zgg s ASP 148 CO 0.64 -0.46 1.97 -0.09 -0.17 0.00 0.00 175.17 177.06 1zgg h ARG 149 N 2.81 0.00 0.00 4.34 2.43 -1.82 -3.35 114.38 118.80 1zgg h ARG 149 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1zgg h ARG 149 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1zgg h ARG 149 CO 0.34 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.34