#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 0.91 -0.13 6.12 2.15 -1.26 -1.08 116.67 123.38 1zgg s ASP 2 Ca 0.00 -0.10 0.03 0.00 0.43 0.00 0.00 52.55 52.91 1zgg s ASP 2 Cb 0.00 -0.40 0.01 0.00 -0.30 0.00 0.00 42.92 42.23 1zgg s ASP 2 CO 0.00 -0.08 -0.22 -0.63 -0.17 0.00 0.00 175.17 174.07 1zgg s ILE 3 N 1.06 2.05 -0.42 4.11 1.01 -0.59 -1.13 121.20 127.29 1zgg s ILE 3 Ca -0.09 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.42 1zgg s ILE 3 Cb -0.14 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1zgg s ILE 3 CO -0.01 0.55 0.39 -0.63 0.00 0.00 0.00 174.94 175.24 1zgg s ILE 4 N 0.76 5.15 0.14 2.92 1.01 -0.48 -0.49 121.20 130.21 1zgg s ILE 4 Ca -0.09 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 1zgg s ILE 4 Cb -0.16 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 1zgg s ILE 4 CO -0.01 -0.40 0.99 -0.36 0.00 0.00 0.00 174.94 175.17 1zgg s PHE 5 N 1.95 3.78 -0.16 3.97 0.08 -0.32 -0.70 117.98 126.57 1zgg s PHE 5 Ca 0.09 1.76 -0.08 0.00 0.12 0.00 0.00 56.93 58.82 1zgg s PHE 5 Cb -0.18 -3.10 0.06 0.00 -0.57 0.00 0.00 43.02 39.23 1zgg s PHE 5 CO 0.12 0.03 0.38 0.54 -0.10 0.00 0.00 175.22 176.19 1zgg s VAL 6 N -0.14 -0.09 0.10 -0.44 0.11 -0.40 -1.51 120.40 118.03 1zgg s VAL 6 Ca 0.47 0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 59.61 1zgg s VAL 6 Cb -0.25 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1zgg s VAL 6 CO 0.31 0.05 0.06 0.00 -3.33 0.00 0.00 175.10 172.19 1zgg h THR 8 N 2.93 0.77 -0.32 0.00 2.02 -1.94 0.37 112.91 116.73 1zgg h THR 8 Ca -0.34 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1zgg h THR 8 Cb 1.18 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1zgg h THR 8 CO 0.60 0.08 0.00 0.61 0.37 0.00 0.00 175.52 177.18 1zgg n GLY 9 N -1.30 1.87 4.99 2.16 0.00 -1.26 -0.87 105.19 110.77 1zgg n GLY 9 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1zgg n GLY 9 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1zgg n ASN 10 N 0.84 0.00 0.31 1.61 0.23 0.12 -4.45 115.26 113.93 1zgg n ASN 10 Ca 0.13 0.00 0.19 0.00 -0.53 0.00 0.00 54.58 54.37 1zgg n ASN 10 Cb 0.45 0.00 1.04 0.00 -2.08 0.00 0.00 39.78 39.18 1zgg n ASN 10 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1zgg h THR 11 N 0.00 0.20 -0.99 5.53 1.35 -1.90 0.25 112.91 117.35 1zgg h THR 11 Ca 0.00 -0.12 0.09 0.00 -0.55 0.00 0.00 66.41 65.83 1zgg h THR 11 Cb 0.00 1.09 -0.07 0.00 -1.73 0.00 0.00 68.15 67.44 1zgg h THR 11 CO 0.00 0.02 0.63 0.00 -0.25 0.00 0.00 175.52 175.92 1zgg n ARG 13 N -4.55 0.00 -0.10 0.00 0.63 -0.65 -4.38 116.66 107.62 1zgg n ARG 13 Ca 0.17 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.04 1zgg n ARG 13 Cb 0.27 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.18 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 -0.30 1.33 6.15 0.02 -1.28 -0.91 113.55 118.56 1zgg h SER 14 Ca 0.00 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1zgg h SER 14 Cb 0.00 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1zgg h SER 14 CO 0.00 -0.11 -0.14 1.55 -1.14 0.00 0.00 176.83 177.00 1zgg h PRO 15 N 0.01 0.00 0.03 3.45 0.13 -1.91 -0.77 132.00 132.94 1zgg h PRO 15 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1zgg h PRO 15 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1zgg h PRO 15 CO -0.34 0.14 -0.01 0.52 -0.23 0.00 0.00 178.00 178.07 1zgg h MET 16 N 0.00 -0.04 -0.74 0.86 2.86 -1.64 -0.91 114.93 115.32 1zgg h MET 16 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1zgg h MET 16 Cb 0.84 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1zgg h MET 16 CO 0.02 0.10 0.39 0.00 1.06 0.00 0.00 176.91 178.48 1zgg h ALA 17 N 0.79 0.96 -0.10 6.32 0.00 -0.77 0.44 119.26 126.91 1zgg h ALA 17 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1zgg h ALA 17 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1zgg h ALA 17 CO 0.01 0.49 0.06 1.49 0.00 0.00 0.00 179.25 181.29 1zgg h GLU 18 N 1.03 0.13 -0.38 0.00 4.81 -1.11 0.45 114.58 119.51 1zgg h GLU 18 Ca 0.26 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1zgg h GLU 18 Cb 0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1zgg h GLU 18 CO -0.04 0.11 0.02 0.00 -0.73 0.00 0.00 179.01 178.37 1zgg h ALA 19 N 1.01 0.51 -0.57 2.92 0.00 -0.70 -0.10 119.26 122.33 1zgg h ALA 19 Ca 0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1zgg h ALA 19 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1zgg h ALA 19 CO -0.01 0.26 0.01 1.25 0.00 0.00 0.00 179.25 180.76 1zgg h LEU 20 N 0.48 0.98 -0.62 0.00 6.46 -0.83 -1.56 115.31 120.23 1zgg h LEU 20 Ca 0.11 -0.30 -0.14 0.00 -0.12 0.00 0.00 57.88 57.43 1zgg h LEU 20 Cb 0.43 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1zgg h LEU 20 CO 0.01 1.05 -0.39 0.15 -0.62 0.00 0.00 178.44 178.64 1zgg h PHE 21 N 0.89 0.77 -0.58 1.25 3.57 -0.66 -0.06 116.94 122.12 1zgg h PHE 21 Ca 0.16 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1zgg h PHE 21 Cb 0.54 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1zgg h PHE 21 CO 0.04 0.94 0.38 0.87 -2.23 0.00 0.00 178.31 178.31 1zgg h LYS 22 N 0.53 0.76 -0.51 1.11 1.57 -0.74 0.25 116.57 119.55 1zgg h LYS 22 Ca 0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1zgg h LYS 22 Cb 0.91 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1zgg h LYS 22 CO 0.08 0.50 0.17 1.03 -0.57 0.00 0.00 179.45 180.66 1zgg h SER 23 N 0.78 0.74 -0.68 0.86 0.87 -0.97 -1.23 113.55 113.91 1zgg h SER 23 Ca 0.22 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 1zgg h SER 23 Cb -0.08 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 1zgg h SER 23 CO -0.05 0.74 0.11 0.40 -0.53 0.00 0.00 176.83 177.50 1zgg h ILE 24 N 0.69 1.27 -0.47 2.23 2.04 -0.57 -1.59 117.51 121.11 1zgg h ILE 24 Ca 0.17 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.88 1zgg h ILE 24 Cb 0.26 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1zgg h ILE 24 CO -0.01 0.39 -0.09 0.00 0.00 0.00 0.00 178.15 178.45 1zgg h ALA 25 N 1.05 0.65 -0.55 1.87 0.00 -0.33 -0.34 119.26 121.61 1zgg h ALA 25 Ca 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1zgg h ALA 25 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1zgg h ALA 25 CO 0.01 0.53 0.23 1.49 0.00 0.00 0.00 179.25 181.51 1zgg h GLU 26 N 0.74 0.81 -0.08 0.00 4.81 -0.98 0.11 114.58 119.99 1zgg h GLU 26 Ca 0.12 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1zgg h GLU 26 Cb 0.63 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1zgg h GLU 26 CO 0.04 0.70 -0.70 0.07 -0.73 0.00 0.00 179.01 178.39 1zgg h ARG 27 N 0.74 0.35 0.00 1.92 0.11 -1.16 -3.08 114.38 113.27 1zgg h ARG 27 Ca 0.18 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1zgg h ARG 27 Cb 0.18 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.31 1zgg h ARG 27 CO -0.02 0.91 0.00 0.93 0.10 0.00 0.00 179.97 181.90 1zgg h GLU 28 N 0.24 0.00 -0.05 0.08 4.39 -0.79 -3.47 114.58 114.98 1zgg h GLU 28 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1zgg h GLU 28 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1zgg h GLU 28 CO 0.12 0.00 -0.02 0.41 -1.16 0.00 0.00 179.01 178.36 1zgg n GLY 29 N 0.64 0.43 3.77 -3.84 0.00 0.21 -5.06 105.19 101.33 1zgg n GLY 29 Ca 0.03 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.20 2.50 -0.16 0.99 1.43 -0.27 -5.03 118.68 117.95 1zgg s LEU 30 Ca 0.00 1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 54.50 1zgg s LEU 30 Cb 0.00 -3.97 0.05 0.00 0.03 0.00 0.00 46.19 42.30 1zgg s LEU 30 CO 0.00 -2.23 0.03 0.21 0.23 0.00 0.00 176.35 174.58 1zgg s ASN 31 N -3.67 2.52 0.24 2.29 2.47 -1.26 -4.66 114.94 112.87 1zgg s ASN 31 Ca 0.62 -0.61 -0.05 0.00 0.42 0.00 0.00 52.86 53.24 1zgg s ASN 31 Cb -0.16 -0.54 -0.02 0.00 -1.45 0.00 0.00 41.25 39.08 1zgg s ASN 31 CO 0.55 -0.28 0.31 0.68 -3.72 0.00 0.00 177.10 174.64 1zgg s VAL 32 N 1.90 0.00 0.14 -5.21 -7.23 -1.26 -4.82 120.40 103.92 1zgg s VAL 32 Ca 0.01 -1.74 0.11 0.00 -1.81 0.00 0.00 61.98 58.54 1zgg s VAL 32 Cb -0.16 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1zgg s VAL 32 CO -0.07 0.00 -0.26 0.21 -0.31 0.00 0.00 175.10 174.67 1zgg s ASN 33 N -3.14 3.39 0.04 4.85 2.47 -0.24 -5.02 114.94 117.29 1zgg s ASN 33 Ca 0.32 -0.76 -0.02 0.00 0.42 0.00 0.00 52.86 52.83 1zgg s ASN 33 Cb 0.03 -0.26 -0.03 0.00 -1.45 0.00 0.00 41.25 39.55 1zgg s ASN 33 CO 0.13 0.17 -0.01 0.68 -3.72 0.00 0.00 177.10 174.35 1zgg s VAL 34 N -1.19 0.17 0.26 -5.21 -7.23 -1.26 -1.54 120.40 104.40 1zgg s VAL 34 Ca 0.16 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1zgg s VAL 34 Cb -0.10 -1.04 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 1zgg s VAL 34 CO 0.07 -0.78 0.09 -0.13 -0.31 0.00 0.00 175.10 174.03 1zgg s ARG 35 N -2.98 1.43 -0.02 4.82 3.00 0.35 -4.89 118.95 120.66 1zgg s ARG 35 Ca -0.02 -1.77 0.01 0.00 0.00 0.00 0.00 55.73 53.95 1zgg s ARG 35 Cb 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 34.95 34.62 1zgg s ARG 35 CO -0.07 -0.27 -0.04 -1.54 0.00 0.00 0.00 175.30 173.39 1zgg s SER 36 N -3.33 0.62 0.22 0.23 1.04 -1.26 -1.18 113.70 110.04 1zgg s SER 36 Ca 0.37 -0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.68 1zgg s SER 36 Cb 0.08 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1zgg s SER 36 CO 0.13 0.01 0.36 0.00 0.98 0.00 0.00 173.24 174.72 1zgg n ALA 37 N 3.40 -0.51 -3.34 5.32 0.00 -0.57 -4.83 120.51 119.97 1zgg n ALA 37 Ca -0.18 -0.91 -0.15 0.00 0.00 0.00 0.00 53.44 52.20 1zgg n ALA 37 Cb 0.55 0.73 -0.07 0.00 0.00 0.00 0.00 19.45 20.66 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 -2.30 -0.34 0.47 0.00 0.00 -1.25 -2.85 107.32 101.06 1zgg s GLY 38 Ca 0.15 0.70 0.18 0.00 0.00 0.00 0.00 44.72 45.75 1zgg s GLY 38 CO 0.11 0.43 2.01 -0.39 0.00 0.00 0.00 173.10 175.26 1zgg h VAL 39 N 3.39 0.97 0.00 1.40 -1.51 -1.67 -0.61 116.25 118.22 1zgg h VAL 39 Ca -0.29 -0.62 -0.06 0.00 -1.23 0.00 0.00 66.70 64.51 1zgg h VAL 39 Cb 1.17 1.35 -0.12 0.00 -2.13 0.00 0.00 31.29 31.55 1zgg h VAL 39 CO 0.40 0.17 -0.57 0.49 -1.23 0.00 0.00 177.57 176.82 1zgg n PHE 40 N -4.12 0.00 -1.13 5.19 3.72 -0.05 -4.75 117.46 116.32 1zgg n PHE 40 Ca -0.02 -0.62 -0.29 0.00 -0.05 0.00 0.00 57.45 56.47 1zgg n PHE 40 Cb 0.25 -0.14 0.16 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 -1.14 1.14 0.01 4.37 0.00 -1.06 -4.67 121.76 120.43 1zgg s ALA 41 Ca 0.24 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1zgg s ALA 41 Cb 0.24 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1zgg s ALA 41 CO -0.06 -2.68 -0.07 -1.12 0.00 0.00 0.00 175.76 171.83 1zgg s SER 42 N -3.35 0.75 0.57 0.00 0.01 -1.26 -4.21 113.70 106.21 1zgg s SER 42 Ca 0.65 -0.25 -0.19 0.00 1.31 0.00 0.00 55.95 57.46 1zgg s SER 42 Cb -0.19 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 1zgg s SER 42 CO 0.58 -0.02 0.89 -2.65 0.41 0.00 0.00 173.24 172.45 1zgg n PRO 43 N 2.45 0.89 -2.26 12.44 -0.02 -1.26 -3.16 135.00 144.08 1zgg n PRO 43 Ca -0.16 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.51 1zgg n PRO 43 Cb 0.57 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.33 -4.35 -4.26 2.55 5.15 -1.10 -4.94 115.26 107.99 1zgg n ASN 44 Ca 0.13 0.18 -0.30 0.00 -0.60 0.00 0.00 54.58 53.99 1zgg n ASN 44 Cb 0.46 -3.72 0.17 0.00 -0.53 0.00 0.00 39.78 36.17 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 -2.07 1.71 0.27 8.20 0.00 -1.19 -4.90 107.32 109.34 1zgg s GLY 45 Ca 0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 44.72 43.51 1zgg s GLY 45 CO 0.00 -0.30 0.65 -1.59 0.00 0.00 0.00 173.10 171.85 1zgg s LYS 46 N -5.73 1.73 0.41 2.90 -2.85 -1.26 -0.49 119.74 114.45 1zgg s LYS 46 Ca 0.71 -1.08 -0.24 0.00 -1.00 0.00 0.00 55.97 54.36 1zgg s LYS 46 Cb -0.07 0.57 -0.11 0.00 -2.06 0.00 0.00 37.83 36.16 1zgg s LYS 46 CO 0.53 -0.77 0.85 0.00 0.10 0.00 0.00 175.35 176.06 1zgg n ALA 47 N -0.44 -0.43 -1.62 0.59 0.00 -1.02 -4.90 120.51 112.69 1zgg n ALA 47 Ca -0.03 0.22 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 1zgg n ALA 47 Cb 0.60 -1.97 0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.32 3.99 -1.94 0.00 -4.23 -1.26 -4.87 115.64 106.01 1zgg s THR 48 Ca 0.63 0.76 0.11 0.00 -1.18 0.00 0.00 61.69 62.02 1zgg s THR 48 Cb -0.58 -3.42 0.31 0.00 1.34 0.00 0.00 72.50 70.15 1zgg s THR 48 CO 0.57 -0.74 1.13 -0.81 -0.54 0.00 0.00 174.62 174.23 1zgg n PRO 49 N -2.67 0.34 -0.00 3.99 -0.04 -1.26 -2.08 135.00 133.28 1zgg n PRO 49 Ca 0.08 0.02 -0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1zgg n PRO 49 Cb 0.53 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.03 0.00 0.00 0.54 8.25 -1.26 -4.09 115.22 117.64 1zgg n HIS 50 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 1zgg n HIS 50 Cb 0.04 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.07 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 0.02 0.07 -0.59 -1.41 0.00 -1.90 0.38 119.26 115.82 1zgg h ALA 51 Ca -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1zgg h ALA 51 Cb 1.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1zgg h ALA 51 CO 0.00 -0.35 0.12 -0.24 0.00 0.00 0.00 179.25 178.78 1zgg h VAL 52 N -0.05 1.24 -0.36 0.00 3.04 -1.69 -1.60 116.25 116.83 1zgg h VAL 52 Ca 0.02 -0.91 -0.16 0.00 -1.01 0.00 0.00 66.70 64.64 1zgg h VAL 52 Cb 0.15 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 1zgg h VAL 52 CO -0.00 0.34 -0.39 -0.08 -1.01 0.00 0.00 177.57 176.42 1zgg h GLU 53 N 0.89 0.88 -0.45 4.17 4.57 -1.68 0.41 114.58 123.37 1zgg h GLU 53 Ca 0.19 -0.46 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1zgg h GLU 53 Cb 0.35 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1zgg h GLU 53 CO 0.00 1.11 0.27 0.00 -1.18 0.00 0.00 179.01 179.21 1zgg h ALA 54 N 0.83 0.57 0.00 2.92 0.00 -0.45 0.10 119.26 123.23 1zgg h ALA 54 Ca 0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1zgg h ALA 54 Cb 0.97 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1zgg h ALA 54 CO 0.09 0.06 -0.38 -0.07 0.00 0.00 0.00 179.25 178.95 1zgg h LEU 55 N 0.59 0.00 -0.63 0.00 -0.00 -1.21 -1.14 115.31 112.93 1zgg h LEU 55 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.91 1zgg h LEU 55 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 1zgg h LEU 55 CO -0.03 0.38 -0.28 0.15 -0.00 0.00 0.00 178.44 178.66 1zgg h PHE 56 N 0.00 0.90 -0.24 1.13 3.57 -0.54 0.98 116.94 122.75 1zgg h PHE 56 Ca -0.00 -0.23 -0.11 0.00 3.53 0.00 0.00 57.97 61.16 1zgg h PHE 56 Cb 1.26 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1zgg h PHE 56 CO 0.00 0.97 -0.33 1.49 -2.23 0.00 0.00 178.31 178.21 1zgg h GLU 57 N 0.67 0.50 0.00 1.11 4.81 -0.60 -0.36 114.58 120.71 1zgg h GLU 57 Ca 0.08 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1zgg h GLU 57 Cb 0.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1zgg h GLU 57 CO 0.07 0.77 0.00 1.17 -0.73 0.00 0.00 179.01 180.29 1zgg n LYS 58 N -4.07 0.04 -2.93 1.92 4.81 -0.45 -4.91 118.16 112.57 1zgg n LYS 58 Ca -0.01 0.22 -0.11 0.00 -0.87 0.00 0.00 58.31 57.54 1zgg n LYS 58 Cb 0.46 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 34.07 1zgg n LYS 58 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1zgg n HIS 59 N -1.46 -1.43 -0.00 5.64 8.25 -0.14 -4.96 115.22 121.12 1zgg n HIS 59 Ca 0.04 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1zgg n HIS 59 Cb 0.17 -3.90 -0.01 0.00 1.12 0.00 0.00 29.99 27.37 1zgg n HIS 59 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1zgg n ILE 60 N -3.09 0.02 -3.34 1.59 5.41 0.25 -5.01 119.36 115.18 1zgg n ILE 60 Ca -0.16 -0.02 -0.10 0.00 1.00 0.00 0.00 62.75 63.46 1zgg n ILE 60 Cb 0.60 0.04 0.01 0.00 -0.71 0.00 0.00 39.64 39.58 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 -1.68 -2.60 -1.67 -1.39 0.00 -1.10 -4.94 120.51 107.12 1zgg n ALA 61 Ca -0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1zgg n ALA 61 Cb 0.17 -1.59 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.26 3.23 -3.66 0.00 0.00 -1.26 -4.98 117.00 108.08 1zgg n LEU 62 Ca -0.11 1.17 -0.07 0.00 0.00 0.00 0.00 56.01 57.00 1zgg n LEU 62 Cb 0.57 -1.44 -0.08 0.00 0.00 0.00 0.00 43.42 42.47 1zgg n LEU 62 CO 0.58 -0.77 0.17 0.21 0.00 0.00 0.00 177.39 177.58 1zgg s ASN 63 N -0.43 -0.71 -0.04 1.96 3.84 -1.26 -4.91 114.94 113.39 1zgg s ASN 63 Ca 0.58 1.25 -0.20 0.00 0.21 0.00 0.00 52.86 54.69 1zgg s ASN 63 Cb -0.58 1.48 0.04 0.00 -0.55 0.00 0.00 41.25 41.64 1zgg s ASN 63 CO 0.61 -0.22 0.44 -2.28 -2.79 0.00 0.00 177.10 172.85 1zgg s HIS 64 N 2.19 -0.36 -0.13 0.43 2.46 -1.26 -5.06 115.29 113.57 1zgg s HIS 64 Ca -0.06 0.64 -0.00 0.00 0.47 0.00 0.00 55.06 56.10 1zgg s HIS 64 Cb -0.10 0.20 0.03 0.00 -0.13 0.00 0.00 32.58 32.58 1zgg s HIS 64 CO -0.16 -0.44 -0.08 0.08 -2.47 0.00 0.00 174.74 171.67 1zgg s VAL 65 N -1.11 1.13 0.79 0.89 1.01 -1.26 -2.42 120.40 119.42 1zgg s VAL 65 Ca -0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 1zgg s VAL 65 Cb -0.03 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1zgg s VAL 65 CO 0.06 0.34 0.87 -1.20 0.00 0.00 0.00 175.10 175.17 1zgg n SER 66 N 4.90 -0.07 -3.50 3.32 7.64 0.36 -4.81 113.62 121.46 1zgg n SER 66 Ca -0.13 0.57 -0.12 0.00 1.01 0.00 0.00 58.87 60.19 1zgg n SER 66 Cb 0.50 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.28 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 -1.84 -0.50 0.72 6.43 0.01 -1.25 -2.69 113.70 114.58 1zgg s SER 67 Ca 0.69 0.29 -0.11 0.00 1.31 0.00 0.00 55.95 58.13 1zgg s SER 67 Cb -0.31 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1zgg s SER 67 CO 0.55 -0.64 1.07 -2.16 0.41 0.00 0.00 173.24 172.47 1zgg s PRO 68 N -2.28 2.73 -0.32 12.44 0.04 -1.26 -3.90 135.00 142.44 1zgg s PRO 68 Ca -0.02 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.52 1zgg s PRO 68 Cb -0.01 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1zgg s PRO 68 CO -0.02 -1.19 0.93 -1.17 0.04 0.00 0.00 177.00 175.58 1zgg s LEU 69 N -5.55 4.01 0.22 -3.56 2.96 -0.24 -4.74 118.68 111.78 1zgg s LEU 69 Ca 0.59 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 55.32 1zgg s LEU 69 Cb -0.13 -3.29 -0.05 0.00 0.50 0.00 0.00 46.19 43.21 1zgg s LEU 69 CO 0.54 -0.77 -0.02 0.42 -1.32 0.00 0.00 176.35 175.20 1zgg s THR 70 N 3.33 1.08 0.30 3.68 -4.23 -1.26 -4.82 115.64 113.73 1zgg s THR 70 Ca 0.38 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1zgg s THR 70 Cb -0.13 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.50 1zgg s THR 70 CO 0.15 -0.40 1.72 -0.08 -0.54 0.00 0.00 174.62 175.47 1zgg h GLU 71 N 2.52 0.25 -0.68 3.99 4.81 -1.97 -1.65 114.58 121.85 1zgg h GLU 71 Ca -0.38 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1zgg h GLU 71 Cb 1.22 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1zgg h GLU 71 CO 0.64 0.60 0.25 1.05 -0.73 0.00 0.00 179.01 180.83 1zgg h GLU 72 N 0.22 1.02 -0.33 1.92 4.11 -1.98 0.11 114.58 119.64 1zgg h GLU 72 Ca 0.02 -0.18 -0.13 0.00 0.07 0.00 0.00 59.36 59.14 1zgg h GLU 72 Cb 0.77 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1zgg h GLU 72 CO 0.06 0.84 -0.29 1.25 0.07 0.00 0.00 179.01 180.94 1zgg h LEU 73 N 0.99 0.83 -0.73 3.06 5.85 -1.74 -0.66 115.31 122.91 1zgg h LEU 73 Ca 0.23 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1zgg h LEU 73 Cb 0.22 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1zgg h LEU 73 CO -0.02 1.12 0.46 -0.03 -0.34 0.00 0.00 178.44 179.63 1zgg h MET 74 N 0.56 0.88 -0.16 1.25 1.85 -0.84 -0.92 114.93 117.54 1zgg h MET 74 Ca 0.06 -0.05 -0.15 0.00 -0.61 0.00 0.00 59.70 58.94 1zgg h MET 74 Cb 0.87 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1zgg h MET 74 CO 0.07 0.58 -0.54 0.93 -0.40 0.00 0.00 176.91 177.56 1zgg h GLU 75 N 0.90 0.47 -0.53 0.39 4.39 -0.69 -3.12 114.58 116.39 1zgg h GLU 75 Ca 0.29 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1zgg h GLU 75 Cb 0.02 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1zgg h GLU 75 CO -0.11 0.89 -0.09 0.77 -1.16 0.00 0.00 179.01 179.31 1zgg h SER 76 N 0.37 0.98 -4.48 1.42 0.02 -0.55 -3.45 113.55 107.85 1zgg h SER 76 Ca 0.01 -0.31 -0.48 0.00 -0.84 0.00 0.00 61.79 60.17 1zgg h SER 76 Cb 1.06 -0.27 0.09 0.00 0.14 0.00 0.00 62.40 63.42 1zgg h SER 76 CO 0.10 1.08 0.39 0.00 -1.14 0.00 0.00 176.83 177.26 1zgg s ALA 77 N -4.87 2.80 -0.07 3.77 0.00 -0.40 -4.93 121.76 118.05 1zgg s ALA 77 Ca -0.11 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.39 1zgg s ALA 77 Cb 0.13 -2.95 -0.13 0.00 0.00 0.00 0.00 23.12 20.17 1zgg s ALA 77 CO 0.85 -1.42 0.09 -3.47 0.00 0.00 0.00 175.76 171.82 1zgg n ASP 78 N -3.15 2.64 -4.01 0.00 2.03 -0.28 -4.95 116.55 108.82 1zgg n ASP 78 Ca 0.07 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.26 1zgg n ASP 78 Cb 0.59 0.94 -0.12 0.00 -0.72 0.00 0.00 41.12 41.81 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 -4.43 2.19 -0.01 -2.67 2.96 -0.38 -4.90 118.68 111.43 1zgg s LEU 79 Ca -0.04 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1zgg s LEU 79 Cb 0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 1zgg s LEU 79 CO 0.40 -0.16 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.47 1zgg s VAL 80 N -1.07 0.89 -0.28 1.68 1.01 -0.34 -1.38 120.40 120.90 1zgg s VAL 80 Ca -0.08 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1zgg s VAL 80 Cb -0.08 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.65 1zgg s VAL 80 CO -0.00 0.25 0.10 -0.76 0.00 0.00 0.00 175.10 174.69 1zgg s LEU 81 N -0.24 1.29 -0.12 3.92 1.43 0.12 -1.01 118.68 124.07 1zgg s LEU 81 Ca 0.04 -1.33 -0.05 0.00 -1.03 0.00 0.00 54.13 51.76 1zgg s LEU 81 Cb -0.05 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 1zgg s LEU 81 CO -0.00 -0.41 0.07 0.00 0.23 0.00 0.00 176.35 176.24 1zgg s ALA 82 N 1.88 3.57 -0.98 4.21 0.00 -0.20 -1.28 121.76 128.96 1zgg s ALA 82 Ca 0.08 -0.72 0.28 0.00 0.00 0.00 0.00 51.96 51.59 1zgg s ALA 82 Cb -0.17 -1.79 1.18 0.00 0.00 0.00 0.00 23.12 22.34 1zgg s ALA 82 CO -0.27 0.52 1.89 -1.33 0.00 0.00 0.00 175.76 176.57 1zgg n MET 83 N 2.36 0.02 -3.95 0.00 2.81 -0.68 -0.38 117.12 117.30 1zgg n MET 83 Ca -0.19 0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.64 1zgg n MET 83 Cb 0.54 -1.52 -0.09 0.00 -0.71 0.00 0.00 33.22 31.44 1zgg n MET 83 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1zgg s THR 84 N -3.01 0.15 0.28 2.03 -4.23 -1.26 -4.39 115.64 105.21 1zgg s THR 84 Ca 0.13 -1.26 0.19 0.00 -1.18 0.00 0.00 61.69 59.57 1zgg s THR 84 Cb 0.18 -1.12 0.15 0.00 1.34 0.00 0.00 72.50 73.06 1zgg s THR 84 CO 0.52 -0.70 1.83 -0.74 -0.54 0.00 0.00 174.62 174.99 1zgg h HIS 85 N 3.36 0.00 -0.41 3.99 2.76 -1.85 -1.10 115.15 121.90 1zgg h HIS 85 Ca -0.33 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.83 1zgg h HIS 85 Cb 1.18 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 1zgg h HIS 85 CO 0.52 0.33 0.24 0.37 -1.30 0.00 0.00 177.93 178.08 1zgg h GLN 86 N 0.00 0.57 -0.85 5.26 5.75 -1.97 -0.91 115.11 122.97 1zgg h GLN 86 Ca -0.00 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1zgg h GLN 86 Cb 0.72 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.11 1zgg h GLN 86 CO 0.04 0.44 0.39 1.25 -2.65 0.00 0.00 178.83 178.31 1zgg h HIS 87 N 0.54 1.23 -0.99 3.99 2.76 -1.81 -0.11 115.15 120.76 1zgg h HIS 87 Ca 0.15 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1zgg h HIS 87 Cb 0.03 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 28.56 1zgg h HIS 87 CO -0.03 0.89 0.65 -0.22 -1.30 0.00 0.00 177.93 177.93 1zgg h LYS 88 N 1.21 1.25 -0.14 5.26 3.64 -0.93 -1.23 116.57 125.64 1zgg h LYS 88 Ca 0.29 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1zgg h LYS 88 Cb 0.14 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1zgg h LYS 88 CO -0.03 0.83 -0.48 1.96 -2.27 0.00 0.00 179.45 179.45 1zgg h GLN 89 N 1.29 0.35 -0.21 1.90 4.20 -0.43 -0.87 115.11 121.33 1zgg h GLN 89 Ca 0.38 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1zgg h GLN 89 Cb -0.06 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1zgg h GLN 89 CO -0.10 0.76 0.10 0.82 -0.67 0.00 0.00 178.83 179.73 1zgg h ILE 90 N 0.28 1.15 -0.42 2.54 2.04 -0.48 -1.75 117.51 120.87 1zgg h ILE 90 Ca 0.02 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.51 1zgg h ILE 90 Cb 0.95 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 1zgg h ILE 90 CO 0.08 0.14 0.08 0.40 0.00 0.00 0.00 178.15 178.85 1zgg h ILE 91 N 0.21 0.78 0.00 -0.67 2.04 -1.06 0.50 117.51 119.31 1zgg h ILE 91 Ca 0.07 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1zgg h ILE 91 Cb 0.14 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1zgg h ILE 91 CO -0.01 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.18 1zgg n ALA 92 N -2.46 1.52 -0.00 1.87 0.00 -0.35 -1.57 120.51 119.51 1zgg n ALA 92 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1zgg n ALA 92 Cb 0.19 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1zgg n ALA 92 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zgg n SER 93 N -1.38 4.75 0.07 0.00 7.64 -0.41 -2.61 113.62 121.68 1zgg n SER 93 Ca 0.03 -0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.77 1zgg n SER 93 Cb 0.09 1.04 -0.14 0.00 -1.01 0.00 0.00 64.21 64.19 1zgg n SER 93 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1zgg h GLN 94 N 0.00 0.20 -0.01 1.43 3.07 -0.66 -3.35 115.11 115.79 1zgg h GLN 94 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.41 1zgg h GLN 94 Cb 0.04 0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1zgg h GLN 94 CO 0.00 1.07 -0.66 1.19 0.09 0.00 0.00 178.83 180.52 1zgg n PHE 95 N -3.42 0.00 -0.20 0.06 3.72 -0.61 -5.07 117.46 111.94 1zgg n PHE 95 Ca -0.12 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.31 1zgg n PHE 95 Cb 1.02 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.56 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 1.37 -1.40 1.54 1.37 0.00 -1.20 -4.60 105.19 102.26 1zgg n GLY 96 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1zgg n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zgg n ARG 97 N -1.53 0.24 0.00 1.61 3.00 -1.07 -4.21 116.66 114.70 1zgg n ARG 97 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.86 1zgg n ARG 97 Cb 0.09 -1.38 0.12 0.00 0.00 0.00 0.00 32.46 31.29 1zgg n ARG 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1zgg n TYR 98 N 1.49 0.00 0.08 -1.55 4.01 -1.26 -3.92 117.16 116.00 1zgg n TYR 98 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 1zgg n TYR 98 Cb 0.12 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.75 0.05 -0.29 -0.72 1.85 -1.26 -2.14 116.66 113.40 1zgg n ARG 99 Ca 0.03 0.46 0.23 0.00 -1.00 0.00 0.00 57.85 57.57 1zgg n ARG 99 Cb 0.01 -1.85 0.55 0.00 -1.05 0.00 0.00 32.46 30.12 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 0.36 0.02 2.89 3.58 -1.97 -1.05 116.42 120.25 1zgg h ASP 100 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1zgg h ASP 100 Cb 0.38 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1zgg h ASP 100 CO 0.00 0.10 -0.19 2.29 -2.88 0.00 0.00 179.24 178.56 1zgg n LYS 101 N -4.52 1.65 -3.66 0.28 2.85 -0.91 -4.91 118.16 108.94 1zgg n LYS 101 Ca 0.23 -1.26 -0.37 0.00 -1.05 0.00 0.00 58.31 55.86 1zgg n LYS 101 Cb 0.86 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.70 1zgg n LYS 101 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1zgg s VAL 102 N -2.22 5.22 0.03 0.58 1.01 -0.40 -1.20 120.40 123.42 1zgg s VAL 102 Ca 0.26 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1zgg s VAL 102 Cb 0.19 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1zgg s VAL 102 CO 0.42 0.56 -0.12 -0.36 0.00 0.00 0.00 175.10 175.60 1zgg s PHE 103 N -1.10 1.05 0.58 5.22 0.40 -0.18 -4.95 117.98 119.01 1zgg s PHE 103 Ca 0.22 -0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 56.04 1zgg s PHE 103 Cb -0.15 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.71 1zgg s PHE 103 CO 0.11 0.01 1.09 0.99 0.70 0.00 0.00 175.22 178.12 1zgg s THR 104 N -0.78 3.43 0.15 0.64 2.01 -1.26 -1.03 115.64 118.79 1zgg s THR 104 Ca 0.00 0.77 -0.16 0.00 0.31 0.00 0.00 61.69 62.61 1zgg s THR 104 Cb -0.07 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.18 1zgg s THR 104 CO 0.01 -0.31 1.75 0.25 -0.69 0.00 0.00 174.62 175.63 1zgg h LEU 105 N 0.73 0.12 -0.29 4.42 5.85 -0.97 -0.19 115.31 124.99 1zgg h LEU 105 Ca -0.48 0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.08 1zgg h LEU 105 Cb 1.24 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1zgg h LEU 105 CO 0.56 0.11 -0.86 0.11 -0.34 0.00 0.00 178.44 178.02 1zgg h LYS 106 N 0.27 0.29 -0.49 1.25 1.79 -1.82 -3.33 116.57 114.53 1zgg h LYS 106 Ca 0.16 -0.30 0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1zgg h LYS 106 Cb 0.14 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1zgg h LYS 106 CO -0.17 0.99 0.27 1.49 -1.08 0.00 0.00 179.45 180.94 1zgg h GLU 107 N 0.17 0.51 0.00 3.15 4.81 -0.53 0.18 114.58 122.87 1zgg h GLU 107 Ca -0.05 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1zgg h GLU 107 Cb 1.47 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 1zgg h GLU 107 CO 0.14 0.34 -0.10 -0.92 -0.73 0.00 0.00 179.01 177.74 1zgg h TYR 108 N 0.52 0.00 0.00 0.92 3.20 -1.18 -1.94 116.97 118.48 1zgg h TYR 108 Ca 0.21 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.89 1zgg h TYR 108 Cb 0.09 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1zgg h TYR 108 CO -0.09 0.10 -1.71 0.28 -1.64 0.00 0.00 178.16 175.10 1zgg n VAL 109 N -4.13 0.71 0.23 1.81 0.31 -0.88 -4.71 118.33 111.67 1zgg n VAL 109 Ca -0.03 -0.40 0.03 0.00 -0.01 0.00 0.00 64.34 63.93 1zgg n VAL 109 Cb 0.18 -0.78 -0.04 0.00 -0.91 0.00 0.00 33.84 32.30 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 -2.48 0.00 -0.95 2.52 -2.24 0.58 -5.00 114.28 106.70 1zgg n THR 110 Ca -0.18 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1zgg n THR 110 Cb 0.81 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 1.36 0.69 2.93 3.38 0.00 -0.73 -5.01 105.19 107.81 1zgg n GLY 111 Ca 0.01 0.00 -0.13 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 -2.37 0.32 0.67 1.61 0.01 -1.26 -4.96 113.70 107.73 1zgg s SER 112 Ca 0.00 -0.10 -0.18 0.00 1.31 0.00 0.00 55.95 56.98 1zgg s SER 112 Cb 0.00 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 1zgg s SER 112 CO 0.00 -0.00 1.29 1.41 0.41 0.00 0.00 173.24 176.34 1zgg n HIS 113 N 2.84 1.87 -3.29 2.43 -0.00 -1.26 -1.90 115.22 115.90 1zgg n HIS 113 Ca -0.14 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 1zgg n HIS 113 Cb 0.59 -2.25 0.00 0.00 -0.00 0.00 0.00 29.99 28.32 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 0.89 -1.21 3.40 -1.41 0.00 -1.26 -4.83 105.19 100.76 1zgg n GLY 114 Ca 0.16 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1zgg n GLY 114 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zgg s ASP 115 N -4.00 0.64 0.12 1.61 -4.77 -1.26 -4.35 116.67 104.66 1zgg s ASP 115 Ca 0.00 -1.39 0.06 0.00 -3.30 0.00 0.00 52.55 47.91 1zgg s ASP 115 Cb 0.00 0.55 -0.04 0.00 -1.09 0.00 0.00 42.92 42.35 1zgg s ASP 115 CO 0.00 -1.10 -0.14 -0.69 0.70 0.00 0.00 175.17 173.94 1zgg s VAL 116 N -3.62 1.31 0.04 2.11 1.01 -1.26 -4.85 120.40 115.14 1zgg s VAL 116 Ca 0.33 -1.71 -0.38 0.00 0.00 0.00 0.00 61.98 60.22 1zgg s VAL 116 Cb 0.02 -1.52 -0.18 0.00 0.00 0.00 0.00 36.38 34.70 1zgg s VAL 116 CO 0.17 -0.42 1.21 -0.11 0.00 0.00 0.00 175.10 175.95 1zgg n LEU 117 N 0.54 0.87 -4.36 3.92 0.00 -1.26 -4.94 117.00 111.76 1zgg n LEU 117 Ca -0.15 1.14 -0.45 0.00 0.00 0.00 0.00 56.01 56.54 1zgg n LEU 117 Cb 0.57 -1.06 -0.06 0.00 0.00 0.00 0.00 43.42 42.87 1zgg n LEU 117 CO 0.27 -1.45 0.20 -0.62 0.00 0.00 0.00 177.39 175.79 1zgg s ASP 118 N 0.26 6.18 0.00 1.96 2.15 -1.26 -4.88 116.67 121.09 1zgg s ASP 118 Ca 0.88 -1.50 0.29 0.00 0.43 0.00 0.00 52.55 52.64 1zgg s ASP 118 Cb -1.10 -2.23 1.40 0.00 -0.30 0.00 0.00 42.92 40.68 1zgg s ASP 118 CO 0.52 -0.87 1.94 -0.81 -0.17 0.00 0.00 175.17 175.77 1zgg n PRO 119 N 5.60 1.34 -1.43 4.34 -0.04 -1.26 -4.97 135.00 138.58 1zgg n PRO 119 Ca -0.12 -0.50 -0.55 0.00 -0.04 0.00 0.00 63.50 62.29 1zgg n PRO 119 Cb 0.42 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.37 1.55 -0.90 0.54 7.35 -1.26 -0.39 117.46 123.97 1zgg n PHE 120 Ca 0.21 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.37 1zgg n PHE 120 Cb 0.23 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.61 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 6.42 0.70 3.87 7.13 0.00 -1.26 -5.05 105.19 117.01 1zgg n GLY 121 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.96 1.74 0.89 -0.02 0.00 0.48 -5.07 107.32 103.38 1zgg s GLY 122 Ca 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 44.72 43.48 1zgg s GLY 122 CO 0.00 -0.35 1.09 -0.56 0.00 0.00 0.00 173.10 173.28 1zgg s SER 123 N -4.70 3.46 0.48 1.64 0.01 -1.26 -4.85 113.70 108.48 1zgg s SER 123 Ca 0.73 1.59 0.22 0.00 1.31 0.00 0.00 55.95 59.80 1zgg s SER 123 Cb -0.05 -2.26 1.24 0.00 0.21 0.00 0.00 66.02 65.16 1zgg s SER 123 CO 0.53 -2.66 1.92 -0.29 0.41 0.00 0.00 173.24 173.16 1zgg h ILE 124 N -1.56 0.71 -0.52 1.44 6.09 -1.97 0.32 117.51 122.02 1zgg h ILE 124 Ca -0.49 -0.07 -0.03 0.00 -1.37 0.00 0.00 64.86 62.90 1zgg h ILE 124 Cb 1.28 0.47 -0.02 0.00 0.47 0.00 0.00 36.82 39.01 1zgg h ILE 124 CO 0.53 0.04 0.18 -0.78 -3.07 0.00 0.00 178.15 175.05 1zgg h ASP 125 N 0.21 0.69 -0.32 2.19 3.58 -1.98 0.23 116.42 121.03 1zgg h ASP 125 Ca 0.37 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.59 1zgg h ASP 125 Cb 1.13 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1zgg h ASP 125 CO -0.08 0.64 -0.31 0.40 -2.88 0.00 0.00 179.24 177.01 1zgg h ILE 126 N 0.74 1.29 -0.41 2.25 1.08 -1.28 0.76 117.51 121.94 1zgg h ILE 126 Ca 0.18 -1.48 -0.05 0.00 -0.39 0.00 0.00 64.86 63.11 1zgg h ILE 126 Cb 0.19 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 1zgg h ILE 126 CO -0.01 0.48 0.05 1.88 -0.69 0.00 0.00 178.15 179.86 1zgg h TYR 127 N 0.55 0.66 -0.39 1.37 0.05 -1.13 -1.09 116.97 116.99 1zgg h TYR 127 Ca 0.05 -0.06 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 1zgg h TYR 127 Cb 0.89 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 1zgg h TYR 127 CO 0.07 0.61 -0.26 -0.22 -1.05 0.00 0.00 178.16 177.30 1zgg h LYS 128 N 0.62 0.86 -0.90 4.88 3.11 -0.16 0.75 116.57 125.73 1zgg h LYS 128 Ca 0.13 -0.41 -0.02 0.00 -2.81 0.00 0.00 60.65 57.54 1zgg h LYS 128 Cb 0.32 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.50 1zgg h LYS 128 CO 0.01 1.05 0.49 1.96 -2.81 0.00 0.00 179.45 180.16 1zgg h GLN 129 N 0.67 1.26 -0.17 1.90 4.20 -0.58 -2.25 115.11 120.13 1zgg h GLN 129 Ca 0.08 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1zgg h GLN 129 Cb 0.84 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1zgg h GLN 129 CO 0.07 0.92 0.05 1.15 -0.67 0.00 0.00 178.83 180.35 1zgg h THR 130 N 1.26 1.19 -0.13 -0.54 2.02 -0.95 -2.98 112.91 112.79 1zgg h THR 130 Ca 0.32 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1zgg h THR 130 Cb 0.03 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1zgg h THR 130 CO -0.05 0.18 -0.12 0.08 0.37 0.00 0.00 175.52 175.98 1zgg h ARG 131 N 0.10 0.20 -0.26 6.66 0.11 -0.47 0.12 114.38 120.84 1zgg h ARG 131 Ca 0.06 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 60.04 1zgg h ARG 131 Cb 0.24 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 1zgg h ARG 131 CO -0.00 0.33 -0.05 0.22 0.10 0.00 0.00 179.97 180.57 1zgg h ASP 132 N 0.19 0.50 -0.39 0.08 3.58 -1.36 0.50 116.42 119.52 1zgg h ASP 132 Ca 0.04 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.06 1zgg h ASP 132 Cb 0.33 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1zgg h ASP 132 CO 0.02 0.73 -0.05 -0.08 -2.88 0.00 0.00 179.24 176.98 1zgg h GLU 133 N 0.25 0.73 -0.81 0.28 4.81 -1.23 -2.66 114.58 115.95 1zgg h GLU 133 Ca 0.07 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1zgg h GLU 133 Cb 0.50 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1zgg h GLU 133 CO 0.02 0.84 0.33 1.25 -0.73 0.00 0.00 179.01 180.73 1zgg h LEU 134 N 0.54 1.11 -0.30 1.64 5.85 -0.72 -1.11 115.31 122.32 1zgg h LEU 134 Ca 0.11 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1zgg h LEU 134 Cb 0.55 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1zgg h LEU 134 CO 0.03 0.98 0.07 -0.08 -0.34 0.00 0.00 178.44 179.09 1zgg h GLU 135 N 1.18 0.49 -0.58 1.25 4.81 -0.83 -0.15 114.58 120.75 1zgg h GLU 135 Ca 0.27 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1zgg h GLU 135 Cb 0.21 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1zgg h GLU 135 CO -0.02 0.57 0.16 1.49 -0.73 0.00 0.00 179.01 180.47 1zgg h GLU 136 N 0.33 0.92 -0.35 1.92 4.81 -1.09 0.37 114.58 121.48 1zgg h GLU 136 Ca 0.09 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1zgg h GLU 136 Cb 0.30 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1zgg h GLU 136 CO 0.00 0.84 -0.13 1.25 -0.73 0.00 0.00 179.01 180.24 1zgg h LEU 137 N 0.83 0.72 -1.10 1.64 6.46 -1.16 -2.74 115.31 119.97 1zgg h LEU 137 Ca 0.18 -0.39 -0.06 0.00 -0.12 0.00 0.00 57.88 57.49 1zgg h LEU 137 Cb 0.32 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1zgg h LEU 137 CO -0.00 0.95 -0.30 -0.07 -0.62 0.00 0.00 178.44 178.40 1zgg h LEU 138 N 0.49 0.00 -0.28 2.25 3.38 -0.61 0.16 115.31 120.70 1zgg h LEU 138 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1zgg h LEU 138 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1zgg h LEU 138 CO 0.04 0.30 0.00 -0.09 0.09 0.00 0.00 178.44 178.79 1zgg h ARG 139 N 0.00 0.49 -0.07 1.13 2.43 -0.85 -0.91 114.38 116.60 1zgg h ARG 139 Ca -0.00 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1zgg h ARG 139 Cb 0.79 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1zgg h ARG 139 CO 0.04 0.64 -0.23 1.96 -1.51 0.00 0.00 179.97 180.87 1zgg h GLN 140 N 0.28 0.12 -0.65 0.20 4.20 -1.07 -1.64 115.11 116.54 1zgg h GLN 140 Ca 0.08 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1zgg h GLN 140 Cb 0.42 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1zgg h GLN 140 CO 0.01 0.35 0.28 1.25 -0.67 0.00 0.00 178.83 180.06 1zgg h LEU 141 N 0.11 0.88 -0.91 1.46 5.85 -0.35 -0.98 115.31 121.37 1zgg h LEU 141 Ca 0.02 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1zgg h LEU 141 Cb 0.48 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1zgg h LEU 141 CO 0.03 0.79 0.10 0.00 -0.34 0.00 0.00 178.44 179.02 1zgg h ALA 142 N 1.12 1.11 -0.70 1.25 0.00 -0.70 -0.49 119.26 120.85 1zgg h ALA 142 Ca 0.22 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1zgg h ALA 142 Cb 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1zgg h ALA 142 CO -0.02 0.59 0.41 0.87 0.00 0.00 0.00 179.25 181.09 1zgg h LYS 143 N 0.85 0.73 -0.57 0.00 1.57 -0.78 -0.40 116.57 117.98 1zgg h LYS 143 Ca 0.18 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1zgg h LYS 143 Cb 0.37 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1zgg h LYS 143 CO 0.01 0.48 0.30 1.96 -0.57 0.00 0.00 179.45 181.63 1zgg h GLN 144 N 0.75 0.81 0.00 3.15 1.08 -0.21 0.45 115.11 121.14 1zgg h GLN 144 Ca 0.31 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.32 1zgg h GLN 144 Cb 0.16 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1zgg h GLN 144 CO -0.17 0.64 -0.38 -0.07 -0.95 0.00 0.00 178.83 177.90 1zgg h LEU 145 N 0.77 0.00 0.00 1.46 3.38 -0.42 -0.32 115.31 120.17 1zgg h LEU 145 Ca 0.20 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1zgg h LEU 145 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1zgg h LEU 145 CO -0.03 0.38 -0.73 0.11 0.09 0.00 0.00 178.44 178.26 1zgg h LYS 146 N 0.00 0.00 -0.16 1.13 1.57 -0.87 -3.32 116.57 114.93 1zgg h LYS 146 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1zgg h LYS 146 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1zgg h LYS 146 CO 0.05 0.40 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.94 1zgg h LYS 147 N 0.00 0.39 -3.32 3.15 3.64 -0.30 -3.48 116.57 116.65 1zgg h LYS 147 Ca -0.04 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1zgg h LYS 147 Cb 1.40 0.01 -0.19 0.00 -0.41 0.00 0.00 32.23 33.03 1zgg h LYS 147 CO 0.05 0.77 -0.37 0.34 -2.27 0.00 0.00 179.45 177.98 1zgg s ASP 148 N -6.18 -0.07 0.47 4.20 -1.08 -0.19 -5.05 116.67 108.78 1zgg s ASP 148 Ca -0.14 -0.12 0.14 0.00 -0.52 0.00 0.00 52.55 51.91 1zgg s ASP 148 Cb 0.05 0.27 1.13 0.00 -1.46 0.00 0.00 42.92 42.92 1zgg s ASP 148 CO 0.76 -0.46 2.08 -0.09 0.52 0.00 0.00 175.17 177.98 1zgg h ARG 149 N 3.86 0.22 0.00 4.34 1.12 -1.85 -3.37 114.38 118.71 1zgg h ARG 149 Ca -0.31 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.55 1zgg h ARG 149 Cb 1.19 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 1zgg h ARG 149 CO 0.42 0.15 0.00 2.89 -3.11 0.00 0.00 179.97 180.32