#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 0.22 -0.19 6.12 2.15 -1.26 -1.10 116.67 122.62 1zgg s ASP 2 Ca 0.00 0.25 -0.00 0.00 0.43 0.00 0.00 52.55 53.23 1zgg s ASP 2 Cb 0.00 0.14 0.01 0.00 -0.30 0.00 0.00 42.92 42.77 1zgg s ASP 2 CO 0.00 -0.18 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.04 1zgg s ILE 3 N 1.50 2.46 -0.47 4.11 1.01 -0.55 -0.80 121.20 128.47 1zgg s ILE 3 Ca -0.05 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.60 1zgg s ILE 3 Cb -0.12 -2.06 0.04 0.00 0.01 0.00 0.00 42.46 40.33 1zgg s ILE 3 CO -0.05 0.51 0.59 -0.63 0.00 0.00 0.00 174.94 175.36 1zgg s ILE 4 N 1.27 4.90 0.13 2.92 1.01 -0.51 -0.53 121.20 130.40 1zgg s ILE 4 Ca 0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 1zgg s ILE 4 Cb -0.14 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.05 1zgg s ILE 4 CO -0.09 -0.66 1.09 -0.36 0.00 0.00 0.00 174.94 174.93 1zgg s PHE 5 N 2.60 3.60 -0.15 3.97 0.08 -0.09 -0.62 117.98 127.36 1zgg s PHE 5 Ca 0.17 1.57 -0.07 0.00 0.12 0.00 0.00 56.93 58.72 1zgg s PHE 5 Cb -0.17 -3.26 0.06 0.00 -0.57 0.00 0.00 43.02 39.08 1zgg s PHE 5 CO 0.15 -0.58 0.35 0.54 -0.10 0.00 0.00 175.22 175.57 1zgg s VAL 6 N 0.17 -0.11 0.10 -0.44 0.11 -0.56 -1.47 120.40 118.22 1zgg s VAL 6 Ca 0.51 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 1zgg s VAL 6 Cb -0.28 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1zgg s VAL 6 CO 0.32 0.05 -0.02 0.00 -3.33 0.00 0.00 175.10 172.13 1zgg h THR 8 N 2.95 0.78 -0.41 0.00 1.35 -1.94 0.25 112.91 115.89 1zgg h THR 8 Ca -0.35 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1zgg h THR 8 Cb 1.17 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1zgg h THR 8 CO 0.64 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1zgg n GLY 9 N -1.31 1.95 4.89 5.82 0.00 -1.26 -0.86 105.19 114.43 1zgg n GLY 9 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.15 0.00 0.27 1.61 0.23 0.08 -4.52 115.26 114.08 1zgg n ASN 10 Ca 0.17 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.36 1zgg n ASN 10 Cb 0.52 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 38.99 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 0.49 -0.97 5.53 1.35 -1.88 -0.38 112.91 117.05 1zgg h THR 11 Ca 0.00 -0.45 0.10 0.00 -0.55 0.00 0.00 66.41 65.51 1zgg h THR 11 Cb 0.00 1.30 -0.08 0.00 -1.73 0.00 0.00 68.15 67.65 1zgg h THR 11 CO 0.00 0.09 0.62 0.00 -0.25 0.00 0.00 175.52 175.98 1zgg n ARG 13 N -4.56 0.00 -0.11 0.00 0.63 -1.06 -4.47 116.66 107.08 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 0.31 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.22 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 -0.72 1.19 6.15 0.02 -1.33 -1.26 113.55 117.59 1zgg h SER 14 Ca 0.00 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1zgg h SER 14 Cb 0.00 0.38 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1zgg h SER 14 CO 0.00 -0.24 -0.10 1.55 -1.14 0.00 0.00 176.83 176.90 1zgg h PRO 15 N -0.15 0.00 -0.04 3.45 0.13 -1.89 -0.45 132.00 133.04 1zgg h PRO 15 Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1zgg h PRO 15 Cb 0.44 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 1zgg h PRO 15 CO -0.48 0.10 0.00 0.52 -0.23 0.00 0.00 178.00 177.92 1zgg h MET 16 N 0.00 0.08 -0.59 0.86 2.86 -1.62 -0.68 114.93 115.83 1zgg h MET 16 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1zgg h MET 16 Cb 0.72 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 1zgg h MET 16 CO 0.01 0.33 0.31 0.00 1.06 0.00 0.00 176.91 178.62 1zgg h ALA 17 N 0.74 0.75 -0.31 6.32 0.00 -0.85 -0.15 119.26 125.76 1zgg h ALA 17 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1zgg h ALA 17 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1zgg h ALA 17 CO 0.00 0.29 0.18 1.49 0.00 0.00 0.00 179.25 181.21 1zgg h GLU 18 N 0.80 0.36 -0.44 0.00 4.81 -1.07 0.75 114.58 119.78 1zgg h GLU 18 Ca 0.20 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1zgg h GLU 18 Cb 0.07 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1zgg h GLU 18 CO -0.03 0.24 0.04 0.00 -0.73 0.00 0.00 179.01 178.52 1zgg h ALA 19 N 1.14 0.58 -0.57 2.92 0.00 -0.76 -0.07 119.26 122.49 1zgg h ALA 19 Ca 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1zgg h ALA 19 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1zgg h ALA 19 CO -0.06 0.34 0.21 -0.07 0.00 0.00 0.00 179.25 179.67 1zgg h LEU 20 N 0.59 0.81 -0.66 0.00 3.38 -0.81 -1.54 115.31 117.07 1zgg h LEU 20 Ca 0.13 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1zgg h LEU 20 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1zgg h LEU 20 CO 0.02 0.77 -0.44 0.15 0.09 0.00 0.00 178.44 179.03 1zgg h PHE 21 N 0.80 0.63 -0.42 1.13 3.57 -0.49 0.92 116.94 123.07 1zgg h PHE 21 Ca 0.19 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1zgg h PHE 21 Cb 0.23 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1zgg h PHE 21 CO 0.01 0.87 0.22 0.87 -2.23 0.00 0.00 178.31 178.06 1zgg h LYS 22 N 0.42 0.59 -0.57 1.11 1.57 -0.83 0.30 116.57 119.16 1zgg h LYS 22 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1zgg h LYS 22 Cb 0.94 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1zgg h LYS 22 CO 0.08 0.49 0.27 1.03 -0.57 0.00 0.00 179.45 180.75 1zgg h SER 23 N 0.54 0.75 -0.53 0.86 0.87 -0.92 -1.43 113.55 113.70 1zgg h SER 23 Ca 0.15 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 1zgg h SER 23 Cb 0.07 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1zgg h SER 23 CO -0.02 0.68 -0.12 0.40 -0.53 0.00 0.00 176.83 177.23 1zgg h ILE 24 N 0.78 1.27 -0.67 2.23 2.04 -0.53 -1.26 117.51 121.36 1zgg h ILE 24 Ca 0.20 -1.28 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1zgg h ILE 24 Cb 0.13 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1zgg h ILE 24 CO -0.02 0.45 0.12 0.00 0.00 0.00 0.00 178.15 178.70 1zgg h ALA 25 N 0.91 0.89 -0.50 1.87 0.00 -0.20 0.10 119.26 122.32 1zgg h ALA 25 Ca 0.13 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1zgg h ALA 25 Cb 0.69 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1zgg h ALA 25 CO 0.05 0.64 0.08 1.49 0.00 0.00 0.00 179.25 181.51 1zgg h GLU 26 N 1.02 0.84 -0.08 0.00 4.81 -1.06 0.11 114.58 120.22 1zgg h GLU 26 Ca 0.21 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1zgg h GLU 26 Cb 0.42 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1zgg h GLU 26 CO 0.01 0.84 -0.68 0.07 -0.73 0.00 0.00 179.01 178.52 1zgg h ARG 27 N 0.72 0.34 0.00 1.92 0.11 -0.85 -3.06 114.38 113.55 1zgg h ARG 27 Ca 0.15 -0.26 -0.06 0.00 0.10 0.00 0.00 59.98 59.91 1zgg h ARG 27 Cb 0.41 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 1zgg h ARG 27 CO 0.01 0.89 -0.30 0.93 0.10 0.00 0.00 179.97 181.60 1zgg h GLU 28 N 0.24 0.00 -0.69 0.08 4.39 -0.72 -3.48 114.58 114.40 1zgg h GLU 28 Ca -0.02 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1zgg h GLU 28 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1zgg h GLU 28 CO 0.11 0.30 -0.13 0.41 -1.16 0.00 0.00 179.01 178.54 1zgg n GLY 29 N 1.03 0.23 3.83 -3.84 0.00 0.22 -5.06 105.19 101.61 1zgg n GLY 29 Ca 0.02 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.49 2.46 -0.11 0.99 1.43 -0.23 -5.03 118.68 116.70 1zgg s LEU 30 Ca 0.00 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1zgg s LEU 30 Cb 0.00 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.64 1zgg s LEU 30 CO 0.00 -2.03 0.00 0.21 0.23 0.00 0.00 176.35 174.77 1zgg s ASN 31 N -4.14 1.97 0.27 2.29 2.47 -1.26 -4.68 114.94 111.86 1zgg s ASN 31 Ca 0.61 -0.29 -0.11 0.00 0.42 0.00 0.00 52.86 53.49 1zgg s ASN 31 Cb -0.13 -0.52 -0.00 0.00 -1.45 0.00 0.00 41.25 39.15 1zgg s ASN 31 CO 0.53 -0.21 0.49 0.68 -3.72 0.00 0.00 177.10 174.86 1zgg s VAL 32 N 1.92 0.00 0.13 -5.21 -7.23 -1.26 -4.88 120.40 103.87 1zgg s VAL 32 Ca 0.04 -1.42 0.10 0.00 -1.81 0.00 0.00 61.98 58.89 1zgg s VAL 32 Cb -0.13 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1zgg s VAL 32 CO -0.06 0.00 -0.24 0.21 -0.31 0.00 0.00 175.10 174.70 1zgg s ASN 33 N -3.05 3.53 0.04 4.85 2.47 -0.26 -5.02 114.94 117.50 1zgg s ASN 33 Ca 0.23 -0.70 -0.01 0.00 0.42 0.00 0.00 52.86 52.81 1zgg s ASN 33 Cb -0.01 -0.34 -0.04 0.00 -1.45 0.00 0.00 41.25 39.42 1zgg s ASN 33 CO 0.11 0.17 -0.03 0.68 -3.72 0.00 0.00 177.10 174.31 1zgg s VAL 34 N -1.15 0.20 0.20 -5.21 -7.23 -1.26 -1.49 120.40 104.47 1zgg s VAL 34 Ca 0.16 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1zgg s VAL 34 Cb -0.10 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 1zgg s VAL 34 CO 0.08 -0.91 0.21 -0.60 -0.31 0.00 0.00 175.10 173.57 1zgg s ARG 35 N -3.47 1.25 -0.02 4.82 6.06 0.32 -4.88 118.95 123.02 1zgg s ARG 35 Ca 0.03 -1.51 0.03 0.00 -2.50 0.00 0.00 55.73 51.78 1zgg s ARG 35 Cb 0.05 0.32 -0.00 0.00 0.06 0.00 0.00 34.95 35.37 1zgg s ARG 35 CO -0.08 -0.43 -0.09 -1.12 -2.50 0.00 0.00 175.30 171.07 1zgg s SER 36 N -3.11 1.16 0.34 -2.12 0.01 -1.26 -0.92 113.70 107.81 1zgg s SER 36 Ca 0.33 -0.18 -0.06 0.00 1.31 0.00 0.00 55.95 57.35 1zgg s SER 36 Cb 0.05 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.07 1zgg s SER 36 CO 0.10 0.09 0.55 0.00 0.41 0.00 0.00 173.24 174.38 1zgg n ALA 37 N 3.11 -0.76 -3.39 1.44 0.00 -0.54 -4.75 120.51 115.62 1zgg n ALA 37 Ca -0.16 -1.41 -0.16 0.00 0.00 0.00 0.00 53.44 51.71 1zgg n ALA 37 Cb 0.55 1.13 -0.07 0.00 0.00 0.00 0.00 19.45 21.06 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 -3.00 -0.39 0.57 0.00 0.00 -1.23 -3.00 107.32 100.27 1zgg s GLY 38 Ca 0.23 0.89 0.32 0.00 0.00 0.00 0.00 44.72 46.16 1zgg s GLY 38 CO 0.17 0.60 2.15 -0.39 0.00 0.00 0.00 173.10 175.63 1zgg h VAL 39 N 3.43 0.38 0.00 1.40 -1.51 -1.65 -0.13 116.25 118.17 1zgg h VAL 39 Ca -0.28 -0.34 -0.05 0.00 -1.23 0.00 0.00 66.70 64.80 1zgg h VAL 39 Cb 1.16 1.24 -0.11 0.00 -2.13 0.00 0.00 31.29 31.45 1zgg h VAL 39 CO 0.39 0.06 -0.57 0.49 -1.23 0.00 0.00 177.57 176.70 1zgg n PHE 40 N -3.50 0.00 -1.28 5.19 3.72 -0.04 -4.77 117.46 116.77 1zgg n PHE 40 Ca -0.02 -0.39 -0.29 0.00 -0.05 0.00 0.00 57.45 56.70 1zgg n PHE 40 Cb 0.19 -0.11 0.17 0.00 -0.94 0.00 0.00 39.48 38.79 1zgg n PHE 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1zgg s ALA 41 N -0.66 1.17 0.01 4.37 0.00 -1.05 -4.70 121.76 120.89 1zgg s ALA 41 Ca 0.17 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1zgg s ALA 41 Cb 0.17 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1zgg s ALA 41 CO -0.05 -2.71 -0.03 -1.12 0.00 0.00 0.00 175.76 171.86 1zgg s SER 42 N -3.65 0.32 0.00 0.00 0.01 -1.26 -4.06 113.70 105.05 1zgg s SER 42 Ca 0.65 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1zgg s SER 42 Cb -0.17 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1zgg s SER 42 CO 0.56 -0.07 0.38 -2.65 0.41 0.00 0.00 173.24 171.87 1zgg n PRO 43 N 2.55 0.00 -2.95 12.44 -0.02 -1.25 -3.67 135.00 142.10 1zgg n PRO 43 Ca -0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.17 1zgg n PRO 43 Cb 0.58 -1.42 -0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 -0.87 -1.44 -3.97 2.55 5.15 -1.25 -4.74 115.26 110.69 1zgg n ASN 44 Ca 0.00 -3.04 -0.13 0.00 -0.60 0.00 0.00 54.58 50.82 1zgg n ASN 44 Cb 0.00 0.69 -0.08 0.00 -0.53 0.00 0.00 39.78 39.85 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 -1.47 1.36 -0.17 8.20 0.00 -1.25 -5.01 107.32 108.98 1zgg s GLY 45 Ca 0.33 -1.55 -0.15 0.00 0.00 0.00 0.00 44.72 43.35 1zgg s GLY 45 CO -0.18 -1.21 0.45 -1.59 0.00 0.00 0.00 173.10 170.57 1zgg s LYS 46 N -3.94 0.51 0.00 2.90 -2.85 -1.26 -0.54 119.74 114.56 1zgg s LYS 46 Ca 0.35 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 1zgg s LYS 46 Cb 0.04 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1zgg s LYS 46 CO 0.14 -0.08 0.00 0.00 0.10 0.00 0.00 175.35 175.51 1zgg n ALA 47 N 3.09 0.00 -2.30 0.59 0.00 -1.08 -4.89 120.51 115.92 1zgg n ALA 47 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1zgg n ALA 47 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 1zgg n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1zgg s THR 48 N 0.00 0.19 0.66 0.00 -4.23 -1.26 -4.84 115.64 106.16 1zgg s THR 48 Ca 0.00 -1.55 0.31 0.00 -1.18 0.00 0.00 61.69 59.27 1zgg s THR 48 Cb 0.00 -1.34 0.32 0.00 1.34 0.00 0.00 72.50 72.81 1zgg s THR 48 CO 0.00 -0.86 1.95 -0.65 -0.54 0.00 0.00 174.62 174.52 1zgg h PRO 49 N 3.21 0.00 0.00 3.99 0.11 -1.99 -2.73 132.00 134.58 1zgg h PRO 49 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 1zgg h PRO 49 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1zgg h PRO 49 CO 0.61 0.00 -1.09 0.72 -0.21 0.00 0.00 178.00 178.03 1zgg n HIS 50 N -2.97 0.00 -0.01 0.65 8.25 -1.26 -4.02 115.22 115.86 1zgg n HIS 50 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1zgg n HIS 50 Cb 0.38 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.36 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 0.07 0.11 -0.72 -1.41 0.00 -1.93 -0.05 119.26 115.33 1zgg h ALA 51 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1zgg h ALA 51 Cb 1.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1zgg h ALA 51 CO 0.00 -0.34 0.35 -0.24 0.00 0.00 0.00 179.25 179.02 1zgg h VAL 52 N 0.04 1.23 -0.45 0.00 3.04 -1.74 -1.51 116.25 116.87 1zgg h VAL 52 Ca 0.03 -0.65 -0.13 0.00 -1.01 0.00 0.00 66.70 64.95 1zgg h VAL 52 Cb 0.09 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 1zgg h VAL 52 CO -0.00 0.27 -0.22 -0.08 -1.01 0.00 0.00 177.57 176.53 1zgg h GLU 53 N 1.00 0.91 -0.61 4.17 4.81 -1.66 0.72 114.58 123.91 1zgg h GLU 53 Ca 0.25 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1zgg h GLU 53 Cb 0.11 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1zgg h GLU 53 CO -0.03 1.03 0.27 0.00 -0.73 0.00 0.00 179.01 179.56 1zgg h ALA 54 N 0.96 0.79 0.00 2.92 0.00 -0.53 0.45 119.26 123.85 1zgg h ALA 54 Ca 0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1zgg h ALA 54 Cb 0.77 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1zgg h ALA 54 CO 0.06 0.38 -0.53 -0.07 0.00 0.00 0.00 179.25 179.09 1zgg h LEU 55 N 0.85 0.00 -0.61 0.00 -0.00 -1.07 -1.44 115.31 113.03 1zgg h LEU 55 Ca 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.95 1zgg h LEU 55 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1zgg h LEU 55 CO -0.02 0.48 -0.35 -0.26 -0.00 0.00 0.00 178.44 178.28 1zgg h PHE 56 N 0.00 0.83 -0.50 1.13 0.04 -0.57 0.10 116.94 117.97 1zgg h PHE 56 Ca -0.01 -0.23 -0.12 0.00 2.80 0.00 0.00 57.97 60.41 1zgg h PHE 56 Cb 1.38 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.33 1zgg h PHE 56 CO 0.00 0.96 -0.16 1.49 -0.60 0.00 0.00 178.31 180.00 1zgg h GLU 57 N 0.59 0.96 0.00 1.51 4.22 -0.80 -0.87 114.58 120.19 1zgg h GLU 57 Ca 0.06 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1zgg h GLU 57 Cb 0.88 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1zgg h GLU 57 CO 0.08 1.04 0.00 1.17 -2.18 0.00 0.00 179.01 179.12 1zgg n LYS 58 N -4.13 0.01 -2.95 1.92 4.81 -0.55 -4.90 118.16 112.37 1zgg n LYS 58 Ca 0.01 0.30 -0.12 0.00 -0.87 0.00 0.00 58.31 57.63 1zgg n LYS 58 Cb 0.42 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 34.03 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 -1.48 -1.62 0.00 5.64 -0.00 -0.33 -4.96 115.22 112.46 1zgg n HIS 59 Ca 0.03 0.66 0.00 0.00 -0.00 0.00 0.00 57.72 58.40 1zgg n HIS 59 Cb 0.13 -4.06 0.00 0.00 -0.00 0.00 0.00 29.99 26.06 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 -3.10 0.00 -3.32 3.57 5.41 0.24 -5.01 119.36 117.15 1zgg n ILE 60 Ca -0.16 -0.12 -0.12 0.00 1.00 0.00 0.00 62.75 63.35 1zgg n ILE 60 Cb 0.61 0.60 0.02 0.00 -0.71 0.00 0.00 39.64 40.16 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 -1.24 -2.56 -1.73 -1.39 0.00 -1.17 -4.93 120.51 107.49 1zgg n ALA 61 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1zgg n ALA 61 Cb 0.00 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 16.98 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 -2.53 4.05 -3.48 0.00 0.00 -1.26 -4.99 117.00 108.79 1zgg n LEU 62 Ca -0.08 1.14 -0.00 0.00 0.00 0.00 0.00 56.01 57.06 1zgg n LEU 62 Cb 0.57 -1.56 -0.04 0.00 0.00 0.00 0.00 43.42 42.40 1zgg n LEU 62 CO 0.58 0.02 0.20 0.21 0.00 0.00 0.00 177.39 178.40 1zgg s ASN 63 N 0.53 -1.11 -0.19 1.96 3.84 -1.26 -4.91 114.94 113.81 1zgg s ASN 63 Ca 0.66 1.27 -0.06 0.00 0.21 0.00 0.00 52.86 54.94 1zgg s ASN 63 Cb -0.53 2.15 0.09 0.00 -0.55 0.00 0.00 41.25 42.41 1zgg s ASN 63 CO 0.47 -0.24 0.37 -2.28 -2.79 0.00 0.00 177.10 172.63 1zgg s HIS 64 N 2.85 -0.70 -0.13 0.43 2.46 -1.26 -5.07 115.29 113.87 1zgg s HIS 64 Ca 0.03 1.26 -0.27 0.00 0.47 0.00 0.00 55.06 56.55 1zgg s HIS 64 Cb -0.13 0.16 -0.01 0.00 -0.13 0.00 0.00 32.58 32.47 1zgg s HIS 64 CO -0.19 -0.49 0.92 0.08 -2.47 0.00 0.00 174.74 172.59 1zgg s VAL 65 N 2.55 4.84 0.65 0.89 1.01 -1.26 -2.64 120.40 126.44 1zgg s VAL 65 Ca 0.02 1.85 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 1zgg s VAL 65 Cb -0.13 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1zgg s VAL 65 CO -0.12 0.03 0.54 -1.20 0.00 0.00 0.00 175.10 174.34 1zgg n SER 66 N 5.01 -1.07 -3.61 3.32 7.64 0.30 -4.96 113.62 120.25 1zgg n SER 66 Ca 0.06 0.67 -0.15 0.00 1.01 0.00 0.00 58.87 60.46 1zgg n SER 66 Cb 0.49 -1.20 -0.06 0.00 -1.01 0.00 0.00 64.21 62.42 1zgg n SER 66 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1zgg s SER 67 N -1.31 -0.44 0.73 6.43 0.01 -1.24 -3.81 113.70 114.07 1zgg s SER 67 Ca 0.67 0.32 -0.11 0.00 1.31 0.00 0.00 55.95 58.15 1zgg s SER 67 Cb -0.40 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.32 1zgg s SER 67 CO 0.56 -0.61 1.07 -2.16 0.41 0.00 0.00 173.24 172.51 1zgg s PRO 68 N -1.72 2.64 -0.41 12.44 0.04 -1.26 -3.48 135.00 143.25 1zgg s PRO 68 Ca -0.09 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 1zgg s PRO 68 Cb -0.02 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1zgg s PRO 68 CO 0.04 -1.32 0.95 -1.17 0.04 0.00 0.00 177.00 175.54 1zgg s LEU 69 N -5.68 3.96 0.24 -3.56 2.96 -0.07 -4.67 118.68 111.87 1zgg s LEU 69 Ca 0.59 0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.96 1zgg s LEU 69 Cb -0.15 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 1zgg s LEU 69 CO 0.55 -0.97 -0.03 0.42 -1.32 0.00 0.00 176.35 175.01 1zgg s THR 70 N 3.67 1.26 0.31 3.68 -4.23 -1.26 -4.82 115.64 114.25 1zgg s THR 70 Ca 0.39 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.89 1zgg s THR 70 Cb -0.11 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.46 1zgg s THR 70 CO 0.23 -0.36 1.74 -0.08 -0.54 0.00 0.00 174.62 175.61 1zgg h GLU 71 N 2.43 0.28 -0.73 3.99 4.81 -1.98 -1.63 114.58 121.76 1zgg h GLU 71 Ca -0.39 -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 0.65 0.59 0.31 1.05 -0.73 0.00 0.00 179.01 180.88 1zgg h GLU 72 N 0.24 1.06 -0.33 1.92 4.11 -1.98 0.12 114.58 119.71 1zgg h GLU 72 Ca 0.03 -0.17 -0.17 0.00 0.07 0.00 0.00 59.36 59.12 1zgg h GLU 72 Cb 0.72 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1zgg h GLU 72 CO 0.05 0.84 -0.46 1.25 0.07 0.00 0.00 179.01 180.77 1zgg h LEU 73 N 1.04 0.98 -0.60 3.06 5.85 -1.73 -0.78 115.31 123.13 1zgg h LEU 73 Ca 0.25 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1zgg h LEU 73 Cb 0.16 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1zgg h LEU 73 CO -0.03 1.29 0.37 -0.03 -0.34 0.00 0.00 178.44 179.70 1zgg h MET 74 N 0.70 0.71 -0.30 1.25 1.85 -0.82 -0.65 114.93 117.67 1zgg h MET 74 Ca 0.04 -0.04 -0.13 0.00 -0.61 0.00 0.00 59.70 58.96 1zgg h MET 74 Cb 1.06 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.92 1zgg h MET 74 CO 0.11 0.47 -0.34 0.93 -0.40 0.00 0.00 176.91 177.68 1zgg h GLU 75 N 0.73 0.66 -0.44 0.39 5.08 -0.67 -3.09 114.58 117.23 1zgg h GLU 75 Ca 0.24 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1zgg h GLU 75 Cb 0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1zgg h GLU 75 CO -0.10 0.90 -0.16 0.77 -1.00 0.00 0.00 179.01 179.42 1zgg h SER 76 N 0.55 0.85 -4.31 1.42 0.02 -0.66 -3.46 113.55 107.96 1zgg h SER 76 Ca 0.06 -0.29 -0.48 0.00 -0.84 0.00 0.00 61.79 60.25 1zgg h SER 76 Cb 0.85 -0.23 0.08 0.00 0.14 0.00 0.00 62.40 63.24 1zgg h SER 76 CO 0.07 1.01 0.35 0.00 -1.14 0.00 0.00 176.83 177.12 1zgg s ALA 77 N -4.72 2.90 0.00 3.77 0.00 -0.29 -4.88 121.76 118.53 1zgg s ALA 77 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1zgg s ALA 77 Cb 0.13 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1zgg s ALA 77 CO 0.84 -1.31 0.00 -3.47 0.00 0.00 0.00 175.76 171.82 1zgg n ASP 78 N -3.05 1.85 -3.86 0.00 2.03 0.02 -4.93 116.55 108.61 1zgg n ASP 78 Ca 0.07 -0.26 -0.11 0.00 0.52 0.00 0.00 54.79 55.02 1zgg n ASP 78 Cb 0.59 0.88 -0.09 0.00 -0.72 0.00 0.00 41.12 41.78 1zgg n ASP 78 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1zgg s LEU 79 N -2.13 1.49 -0.01 -2.67 2.96 -0.25 -4.90 118.68 113.16 1zgg s LEU 79 Ca 0.00 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1zgg s LEU 79 Cb 0.00 0.77 -0.00 0.00 0.50 0.00 0.00 46.19 47.46 1zgg s LEU 79 CO 0.00 -0.43 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.87 1zgg s VAL 80 N -1.71 0.40 -0.38 1.68 1.01 -0.22 -1.42 120.40 119.76 1zgg s VAL 80 Ca -0.12 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1zgg s VAL 80 Cb -0.06 -0.35 0.13 0.00 0.00 0.00 0.00 36.38 36.10 1zgg s VAL 80 CO 0.00 0.12 0.20 -0.22 0.00 0.00 0.00 175.10 175.21 1zgg s LEU 81 N -0.01 1.81 0.31 3.92 0.20 0.20 -1.14 118.68 123.98 1zgg s LEU 81 Ca 0.01 -2.25 -0.09 0.00 0.69 0.00 0.00 54.13 52.48 1zgg s LEU 81 Cb -0.03 -0.71 -0.06 0.00 -0.43 0.00 0.00 46.19 44.95 1zgg s LEU 81 CO -0.00 -0.31 0.63 0.00 -0.29 0.00 0.00 176.35 176.38 1zgg s ALA 82 N 0.89 3.50 -1.05 5.97 0.00 0.04 -1.49 121.76 129.61 1zgg s ALA 82 Ca 0.16 -0.32 0.15 0.00 0.00 0.00 0.00 51.96 51.95 1zgg s ALA 82 Cb -0.23 -2.50 0.45 0.00 0.00 0.00 0.00 23.12 20.85 1zgg s ALA 82 CO -0.04 0.25 1.38 -1.33 0.00 0.00 0.00 175.76 176.02 1zgg n MET 83 N -0.76 2.97 -3.64 0.00 0.00 -0.57 -0.14 117.12 114.98 1zgg n MET 83 Ca 0.01 -2.38 -0.15 0.00 0.00 0.00 0.00 57.70 55.18 1zgg n MET 83 Cb 0.53 -1.48 -0.08 0.00 0.00 0.00 0.00 33.22 32.20 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 -1.34 0.01 0.22 2.03 -4.23 -1.26 -4.65 115.64 106.41 1zgg s THR 84 Ca 0.34 -0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.71 1zgg s THR 84 Cb 0.20 -0.85 0.10 0.00 1.34 0.00 0.00 72.50 73.29 1zgg s THR 84 CO 0.19 -0.05 1.71 -0.74 -0.54 0.00 0.00 174.62 175.20 1zgg h HIS 85 N 4.22 1.04 -0.70 3.99 2.76 -1.90 -0.93 115.15 123.63 1zgg h HIS 85 Ca -0.28 -0.15 0.05 0.00 -2.20 0.00 0.00 60.37 57.79 1zgg h HIS 85 Cb 1.16 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.79 1zgg h HIS 85 CO 0.41 0.91 0.42 0.37 -1.30 0.00 0.00 177.93 178.74 1zgg h GLN 86 N 0.91 0.76 -0.76 5.26 5.75 -1.98 -1.12 115.11 123.93 1zgg h GLN 86 Ca 0.18 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1zgg h GLN 86 Cb 0.46 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1zgg h GLN 86 CO 0.02 0.50 0.31 1.25 -2.65 0.00 0.00 178.83 178.26 1zgg h HIS 87 N 0.78 1.14 -0.91 3.99 2.76 -1.82 0.17 115.15 121.26 1zgg h HIS 87 Ca 0.30 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 1zgg h HIS 87 Cb 0.12 -0.34 -0.06 0.00 1.55 0.00 0.00 27.41 28.68 1zgg h HIS 87 CO -0.06 0.86 0.58 -0.22 -1.30 0.00 0.00 177.93 177.79 1zgg h LYS 88 N 1.10 1.02 0.00 5.26 3.64 -0.32 -0.79 116.57 126.47 1zgg h LYS 88 Ca 0.25 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 1zgg h LYS 88 Cb 0.20 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1zgg h LYS 88 CO -0.02 0.68 -0.55 1.96 -2.27 0.00 0.00 179.45 179.24 1zgg h GLN 89 N 1.05 0.00 -0.17 1.90 1.08 -0.25 -1.33 115.11 117.39 1zgg h GLN 89 Ca 0.39 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.59 1zgg h GLN 89 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1zgg h GLN 89 CO -0.17 0.55 0.09 0.82 -0.95 0.00 0.00 178.83 179.17 1zgg h ILE 90 N 0.00 1.12 -0.45 2.54 2.04 0.02 -1.62 117.51 121.16 1zgg h ILE 90 Ca -0.01 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1zgg h ILE 90 Cb 1.15 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 1zgg h ILE 90 CO 0.07 0.12 0.03 0.40 0.00 0.00 0.00 178.15 178.76 1zgg h ILE 91 N 0.16 0.68 0.00 -0.67 2.04 -0.98 0.98 117.51 119.72 1zgg h ILE 91 Ca 0.06 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1zgg h ILE 91 Cb 0.11 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1zgg h ILE 91 CO -0.01 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.17 1zgg n ALA 92 N -2.58 1.76 0.00 1.87 0.00 -0.52 -1.65 120.51 119.39 1zgg n ALA 92 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1zgg n ALA 92 Cb 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.18 4.69 0.09 0.00 7.64 -0.29 -2.59 113.62 121.97 1zgg n SER 93 Ca 0.06 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.77 1zgg n SER 93 Cb 0.07 0.79 -0.14 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.29 0.00 1.43 3.07 -0.59 -3.34 115.11 115.97 1zgg h GLN 94 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1zgg h GLN 94 Cb 0.29 0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1zgg h GLN 94 CO 0.00 1.19 -1.16 1.19 0.09 0.00 0.00 178.83 180.15 1zgg n PHE 95 N -3.51 0.17 0.00 0.06 3.72 -0.66 -5.09 117.46 112.15 1zgg n PHE 95 Ca -0.13 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1zgg n PHE 95 Cb 1.04 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 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 1.38 -0.24 0.85 1.37 0.00 -1.25 -4.75 105.19 102.55 1zgg n GLY 96 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.22 0.35 -0.05 1.61 3.00 -1.07 -4.15 116.66 116.13 1zgg n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1zgg n ARG 97 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.18 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 0.68 0.00 1.19 -0.14 4.01 -1.26 -4.36 117.16 117.28 1zgg n TYR 98 Ca 0.00 -0.29 0.11 0.00 -0.16 0.00 0.00 57.90 57.56 1zgg n TYR 98 Cb 0.15 -0.21 0.61 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.98 0.45 -0.25 -0.72 1.85 -1.26 -3.97 116.66 113.75 1zgg n ARG 99 Ca 0.00 0.05 0.05 0.00 -1.00 0.00 0.00 57.85 56.95 1zgg n ARG 99 Cb 0.24 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.44 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 0.80 0.37 2.89 3.58 -1.99 -0.42 116.42 121.65 1zgg h ASP 100 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1zgg h ASP 100 Cb 0.14 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1zgg h ASP 100 CO 0.00 0.51 -0.05 2.29 -2.88 0.00 0.00 179.24 179.12 1zgg n LYS 101 N -4.49 0.67 -3.59 0.28 2.85 -1.25 -4.84 118.16 107.78 1zgg n LYS 101 Ca 0.12 -0.13 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1zgg n LYS 101 Cb 0.21 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.42 5.19 0.03 0.58 1.01 -0.17 -1.05 120.40 123.58 1zgg s VAL 102 Ca 0.32 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.98 1zgg s VAL 102 Cb 0.20 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1zgg s VAL 102 CO 0.45 0.55 -0.11 -0.36 0.00 0.00 0.00 175.10 175.63 1zgg s PHE 103 N -0.79 0.98 0.60 5.22 0.40 -0.29 -4.96 117.98 119.13 1zgg s PHE 103 Ca 0.21 -0.34 -0.15 0.00 -0.60 0.00 0.00 56.93 56.04 1zgg s PHE 103 Cb -0.15 -0.58 -0.03 0.00 0.51 0.00 0.00 43.02 42.76 1zgg s PHE 103 CO 0.10 0.00 1.05 0.99 0.70 0.00 0.00 175.22 178.05 1zgg s THR 104 N -0.85 3.95 0.22 0.64 2.01 -1.26 -0.78 115.64 119.57 1zgg s THR 104 Ca -0.01 0.87 -0.09 0.00 0.31 0.00 0.00 61.69 62.78 1zgg s THR 104 Cb -0.07 -3.43 0.18 0.00 0.01 0.00 0.00 72.50 69.18 1zgg s THR 104 CO 0.01 -0.60 1.87 0.25 -0.69 0.00 0.00 174.62 175.46 1zgg h LEU 105 N 0.30 0.86 0.14 4.42 5.85 -0.62 -0.75 115.31 125.50 1zgg h LEU 105 Ca -0.46 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 57.96 1zgg h LEU 105 Cb 1.21 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 42.06 1zgg h LEU 105 CO 0.58 0.60 -1.28 0.11 -0.34 0.00 0.00 178.44 178.10 1zgg h LYS 106 N 1.01 0.39 -0.88 1.25 1.79 -1.65 -3.37 116.57 115.10 1zgg h LYS 106 Ca 0.31 -0.62 0.10 0.00 -2.18 0.00 0.00 60.65 58.27 1zgg h LYS 106 Cb -0.02 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 30.78 1zgg h LYS 106 CO -0.10 1.28 0.52 1.49 -1.08 0.00 0.00 179.45 181.56 1zgg h GLU 107 N 0.12 0.82 0.00 3.15 4.81 -0.09 0.22 114.58 123.61 1zgg h GLU 107 Ca -0.17 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1zgg h GLU 107 Cb 1.99 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.18 1zgg h GLU 107 CO 0.22 0.54 0.00 -0.92 -0.73 0.00 0.00 179.01 178.13 1zgg h TYR 108 N 0.84 0.00 0.00 0.92 3.20 -1.36 -3.00 116.97 117.57 1zgg h TYR 108 Ca 0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1zgg h TYR 108 Cb 0.41 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1zgg h TYR 108 CO -0.05 0.00 0.00 0.28 -1.64 0.00 0.00 178.16 176.75 1zgg n VAL 109 N -2.63 1.10 0.29 1.81 0.31 0.19 -4.80 118.33 114.60 1zgg n VAL 109 Ca -0.00 0.36 0.12 0.00 -0.01 0.00 0.00 64.34 64.81 1zgg n VAL 109 Cb 0.16 -1.47 0.16 0.00 -0.91 0.00 0.00 33.84 31.78 1zgg n VAL 109 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1zgg h THR 110 N 0.00 0.00 0.00 2.52 1.35 -0.88 -3.48 112.91 112.43 1zgg h THR 110 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1zgg h THR 110 Cb 0.00 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1zgg h THR 110 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1zgg n GLY 111 N 1.18 0.73 2.96 5.82 0.00 -1.13 -5.02 105.19 109.72 1zgg n GLY 111 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.06 0.42 0.51 1.61 0.01 -1.26 -4.91 113.70 108.02 1zgg s SER 112 Ca 0.00 -0.25 -0.23 0.00 1.31 0.00 0.00 55.95 56.79 1zgg s SER 112 Cb 0.00 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.18 1zgg s SER 112 CO 0.00 -0.08 1.37 -1.00 0.41 0.00 0.00 173.24 173.94 1zgg s HIS 113 N -0.62 2.37 0.00 2.43 0.09 -1.26 -1.50 115.29 116.79 1zgg s HIS 113 Ca -0.05 1.35 0.00 0.00 -0.00 0.00 0.00 55.06 56.36 1zgg s HIS 113 Cb -0.05 -3.82 0.00 0.00 -0.00 0.00 0.00 32.58 28.71 1zgg s HIS 113 CO -0.00 -2.85 0.00 0.41 -0.00 0.00 0.00 174.74 172.30 1zgg n GLY 114 N 0.67 -0.83 3.35 -2.22 0.00 -1.26 -4.83 105.19 100.08 1zgg n GLY 114 Ca 0.09 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 0.48 -0.64 1.61 2.15 -1.26 -2.16 116.67 116.85 1zgg s ASP 115 Ca 0.00 -1.36 0.06 0.00 0.43 0.00 0.00 52.55 51.68 1zgg s ASP 115 Cb 0.00 0.51 0.24 0.00 -0.30 0.00 0.00 42.92 43.37 1zgg s ASP 115 CO 0.00 -1.03 0.71 0.52 -0.17 0.00 0.00 175.17 175.20 1zgg n VAL 116 N -0.40 2.12 -2.77 1.11 0.31 -1.26 -4.87 118.33 112.56 1zgg n VAL 116 Ca 0.02 -5.12 -0.03 0.00 -0.01 0.00 0.00 64.34 59.20 1zgg n VAL 116 Cb 0.64 -2.10 -0.02 0.00 -0.91 0.00 0.00 33.84 31.44 1zgg n VAL 116 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1zgg n LEU 117 N 1.02 -6.06 -4.60 7.52 0.00 -1.26 -4.84 117.00 108.77 1zgg n LEU 117 Ca 0.28 1.71 -0.43 0.00 0.00 0.00 0.00 56.01 57.58 1zgg n LEU 117 Cb 0.41 -2.83 -0.03 0.00 0.00 0.00 0.00 43.42 40.97 1zgg n LEU 117 CO 0.38 -3.43 1.71 -0.62 0.00 0.00 0.00 177.39 175.42 1zgg s ASP 118 N -0.78 5.68 0.00 1.96 2.15 -1.26 -4.87 116.67 119.55 1zgg s ASP 118 Ca -0.15 1.68 0.26 0.00 0.43 0.00 0.00 52.55 54.77 1zgg s ASP 118 Cb 0.01 -2.52 0.71 0.00 -0.30 0.00 0.00 42.92 40.82 1zgg s ASP 118 CO 0.57 -1.82 1.54 -0.81 -0.17 0.00 0.00 175.17 174.49 1zgg n PRO 119 N 8.56 0.74 -1.68 4.34 -0.04 -1.26 -4.96 135.00 140.70 1zgg n PRO 119 Ca 0.27 -0.44 -0.44 0.00 -0.04 0.00 0.00 63.50 62.85 1zgg n PRO 119 Cb 0.46 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.75 2.49 -0.37 0.54 7.35 -1.26 -0.69 117.46 124.77 1zgg n PHE 120 Ca 0.11 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1zgg n PHE 120 Cb 0.35 -2.72 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 4.27 0.98 3.90 7.13 0.00 -1.26 -5.06 105.19 115.14 1zgg n GLY 121 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.65 1.61 0.95 -0.02 0.00 0.13 -5.08 107.32 103.25 1zgg s GLY 122 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 44.04 1zgg s GLY 122 CO 0.00 -0.13 1.11 -0.56 0.00 0.00 0.00 173.10 173.52 1zgg s SER 123 N -4.48 3.13 0.47 1.64 0.01 -1.26 -4.86 113.70 108.35 1zgg s SER 123 Ca 0.60 1.14 0.21 0.00 1.31 0.00 0.00 55.95 59.20 1zgg s SER 123 Cb -0.11 -1.78 1.20 0.00 0.21 0.00 0.00 66.02 65.55 1zgg s SER 123 CO 0.50 -2.81 1.93 -0.29 0.41 0.00 0.00 173.24 172.97 1zgg h ILE 124 N -1.67 0.73 -0.73 1.44 6.09 -1.97 0.22 117.51 121.62 1zgg h ILE 124 Ca -0.52 -0.09 -0.02 0.00 -1.37 0.00 0.00 64.86 62.87 1zgg h ILE 124 Cb 1.32 0.45 -0.03 0.00 0.47 0.00 0.00 36.82 39.03 1zgg h ILE 124 CO 0.59 0.05 0.39 -0.78 -3.07 0.00 0.00 178.15 175.32 1zgg h ASP 125 N 0.25 0.91 -0.35 2.19 3.58 -1.98 0.20 116.42 121.22 1zgg h ASP 125 Ca 0.36 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 1zgg h ASP 125 Cb 1.05 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1zgg h ASP 125 CO -0.08 0.74 0.01 0.40 -2.88 0.00 0.00 179.24 177.42 1zgg h ILE 126 N 1.02 1.26 -0.46 2.25 1.08 -1.30 0.51 117.51 121.87 1zgg h ILE 126 Ca 0.26 -0.96 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 1zgg h ILE 126 Cb 0.04 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1zgg h ILE 126 CO -0.04 0.32 0.01 1.88 -0.69 0.00 0.00 178.15 179.63 1zgg h TYR 127 N 0.43 0.79 -0.48 1.37 0.05 -1.15 -0.91 116.97 117.07 1zgg h TYR 127 Ca 0.10 -0.10 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1zgg h TYR 127 Cb 0.45 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1zgg h TYR 127 CO 0.04 0.74 -0.18 -0.22 -1.05 0.00 0.00 178.16 177.48 1zgg h LYS 128 N 0.71 0.95 -0.47 4.88 3.11 -0.26 0.12 116.57 125.62 1zgg h LYS 128 Ca 0.14 -0.38 -0.02 0.00 -2.81 0.00 0.00 60.65 57.58 1zgg h LYS 128 Cb 0.42 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 1zgg h LYS 128 CO 0.02 1.04 0.21 1.96 -2.81 0.00 0.00 179.45 179.87 1zgg h GLN 129 N 0.83 0.68 -0.24 1.90 4.20 -0.59 -2.81 115.11 119.08 1zgg h GLN 129 Ca 0.12 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1zgg h GLN 129 Cb 0.74 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1zgg h GLN 129 CO 0.06 0.59 0.11 1.15 -0.67 0.00 0.00 178.83 180.07 1zgg h THR 130 N 0.61 1.15 -0.27 -0.54 2.02 -0.86 -2.85 112.91 112.16 1zgg h THR 130 Ca 0.16 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1zgg h THR 130 Cb 0.15 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1zgg h THR 130 CO -0.02 0.14 -0.02 0.08 0.37 0.00 0.00 175.52 176.07 1zgg h ARG 131 N 0.25 0.42 -0.33 6.66 0.11 -0.68 0.91 114.38 121.71 1zgg h ARG 131 Ca 0.08 -0.08 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 1zgg h ARG 131 Cb 0.13 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 1zgg h ARG 131 CO -0.01 0.46 -0.29 0.22 0.10 0.00 0.00 179.97 180.46 1zgg h ASP 132 N 0.40 0.83 -0.05 0.08 3.58 -1.29 0.41 116.42 120.38 1zgg h ASP 132 Ca 0.09 -0.45 -0.21 0.00 0.42 0.00 0.00 57.03 56.87 1zgg h ASP 132 Cb 0.30 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.13 1zgg h ASP 132 CO 0.01 1.11 -0.75 -0.08 -2.88 0.00 0.00 179.24 176.66 1zgg h GLU 133 N 0.56 0.70 -0.73 0.28 4.81 -1.24 -3.04 114.58 115.92 1zgg h GLU 133 Ca 0.06 -0.56 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1zgg h GLU 133 Cb 0.86 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 1zgg h GLU 133 CO 0.07 1.17 0.32 1.25 -0.73 0.00 0.00 179.01 181.10 1zgg h LEU 134 N 0.48 0.98 -0.63 1.64 5.85 -0.73 -0.97 115.31 121.93 1zgg h LEU 134 Ca -0.04 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 1zgg h LEU 134 Cb 1.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1zgg h LEU 134 CO 0.15 0.86 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.89 1zgg h GLU 135 N 1.03 0.93 -0.39 1.25 4.81 -0.93 0.14 114.58 121.42 1zgg h GLU 135 Ca 0.25 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1zgg h GLU 135 Cb 0.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1zgg h GLU 135 CO -0.03 1.00 0.03 1.49 -0.73 0.00 0.00 179.01 180.78 1zgg h GLU 136 N 0.82 0.67 -0.52 1.92 4.81 -1.36 0.01 114.58 120.94 1zgg h GLU 136 Ca 0.13 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1zgg h GLU 136 Cb 0.68 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1zgg h GLU 136 CO 0.05 0.75 0.07 1.25 -0.73 0.00 0.00 179.01 180.40 1zgg h LEU 137 N 0.51 0.84 -1.52 1.64 6.46 -0.99 -2.51 115.31 119.74 1zgg h LEU 137 Ca 0.12 -0.27 -0.05 0.00 -0.12 0.00 0.00 57.88 57.56 1zgg h LEU 137 Cb 0.42 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1zgg h LEU 137 CO 0.01 0.90 -0.24 -0.07 -0.62 0.00 0.00 178.44 178.42 1zgg h LEU 138 N 0.76 0.00 -0.67 2.25 -0.00 -0.52 -0.45 115.31 116.69 1zgg h LEU 138 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.94 1zgg h LEU 138 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 1zgg h LEU 138 CO 0.01 0.24 -0.01 -0.09 -0.00 0.00 0.00 178.44 178.60 1zgg h ARG 139 N 0.00 1.03 0.00 1.13 9.65 -0.57 -1.93 114.38 123.69 1zgg h ARG 139 Ca -0.00 -0.32 -0.07 0.00 -1.10 0.00 0.00 59.98 58.48 1zgg h ARG 139 Cb 0.51 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1zgg h ARG 139 CO 0.03 1.01 -0.35 1.96 2.80 0.00 0.00 179.97 185.42 1zgg h GLN 140 N 0.94 0.00 -0.54 0.20 4.20 -0.85 -1.01 115.11 118.04 1zgg h GLN 140 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1zgg h GLN 140 Cb 0.55 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1zgg h GLN 140 CO 0.03 0.35 0.35 -0.07 -0.67 0.00 0.00 178.83 178.82 1zgg h LEU 141 N 0.00 0.63 -0.75 1.46 4.07 -0.66 0.46 115.31 120.52 1zgg h LEU 141 Ca -0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 1zgg h LEU 141 Cb 0.73 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1zgg h LEU 141 CO 0.05 0.48 0.26 0.00 -1.08 0.00 0.00 178.44 178.14 1zgg h ALA 142 N 1.18 0.98 -0.42 1.53 0.00 -0.80 -1.37 119.26 120.36 1zgg h ALA 142 Ca 0.20 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1zgg h ALA 142 Cb -0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 1zgg h ALA 142 CO -0.04 0.64 0.18 -0.22 0.00 0.00 0.00 179.25 179.82 1zgg h LYS 143 N 1.11 0.36 -0.51 0.00 3.64 -0.89 -0.32 116.57 119.97 1zgg h LYS 143 Ca 0.25 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1zgg h LYS 143 Cb 0.27 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1zgg h LYS 143 CO -0.01 0.24 0.29 1.96 -2.27 0.00 0.00 179.45 179.65 1zgg h GLN 144 N 0.37 0.55 -0.38 1.90 1.08 -0.30 0.18 115.11 118.52 1zgg h GLN 144 Ca 0.19 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 1zgg h GLN 144 Cb 0.13 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1zgg h GLN 144 CO -0.16 0.37 -0.23 -0.07 -0.95 0.00 0.00 178.83 177.79 1zgg h LEU 145 N 0.57 0.85 -1.14 1.46 3.38 -0.86 0.24 115.31 119.81 1zgg h LEU 145 Ca 0.21 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1zgg h LEU 145 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1zgg h LEU 145 CO -0.11 1.09 0.00 0.11 0.09 0.00 0.00 178.44 179.62 1zgg h LYS 146 N 0.62 0.60 0.60 1.13 1.57 -0.81 -2.62 116.57 117.66 1zgg h LYS 146 Ca 0.08 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1zgg h LYS 146 Cb 0.79 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1zgg h LYS 146 CO 0.06 0.62 -0.29 0.87 -0.57 0.00 0.00 179.45 180.15 1zgg h LYS 147 N 0.57 -0.78 -0.72 3.15 1.57 -0.80 -3.46 116.57 116.10 1zgg h LYS 147 Ca 0.12 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.09 1zgg h LYS 147 Cb 0.36 0.18 -0.21 0.00 0.08 0.00 0.00 32.23 32.64 1zgg h LYS 147 CO 0.01 -0.47 -0.14 0.34 -0.57 0.00 0.00 179.45 178.63 1zgg s ASP 148 N -4.59 -1.05 0.15 0.86 2.15 0.06 -5.10 116.67 109.15 1zgg s ASP 148 Ca -0.16 0.52 -0.32 0.00 0.43 0.00 0.00 52.55 53.03 1zgg s ASP 148 Cb 0.02 1.82 -0.11 0.00 -0.30 0.00 0.00 42.92 44.35 1zgg s ASP 148 CO 0.53 -0.19 1.80 0.54 -0.17 0.00 0.00 175.17 177.68 1zgg n ARG 149 N 5.42 2.76 0.00 4.34 1.74 -1.05 -4.31 116.66 125.56 1zgg n ARG 149 Ca -0.01 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 1zgg n ARG 149 Cb 0.53 -2.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 1zgg n ARG 149 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65