#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 0.52 -0.08 6.12 2.15 -1.26 -1.05 116.67 123.08 1zgg s ASP 2 Ca 0.00 0.01 0.04 0.00 0.43 0.00 0.00 52.55 53.03 1zgg s ASP 2 Cb 0.00 -0.17 -0.01 0.00 -0.30 0.00 0.00 42.92 42.44 1zgg s ASP 2 CO 0.00 -0.15 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.02 1zgg s ILE 3 N 1.34 2.41 -0.29 4.11 1.01 -0.51 -0.98 121.20 128.29 1zgg s ILE 3 Ca -0.06 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 1zgg s ILE 3 Cb -0.13 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.43 1zgg s ILE 3 CO -0.03 0.56 0.04 -0.63 0.00 0.00 0.00 174.94 174.88 1zgg s ILE 4 N 0.00 3.58 0.12 2.92 1.01 -0.37 -0.89 121.20 127.58 1zgg s ILE 4 Ca -0.07 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1zgg s ILE 4 Cb -0.15 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 1zgg s ILE 4 CO 0.05 0.07 1.02 -0.36 0.00 0.00 0.00 174.94 175.72 1zgg s PHE 5 N 1.42 3.73 -0.07 3.97 0.08 -0.26 -0.46 117.98 126.38 1zgg s PHE 5 Ca 0.01 1.71 -0.08 0.00 0.12 0.00 0.00 56.93 58.70 1zgg s PHE 5 Cb -0.17 -3.14 0.02 0.00 -0.57 0.00 0.00 43.02 39.15 1zgg s PHE 5 CO 0.00 -0.12 0.21 0.54 -0.10 0.00 0.00 175.22 175.75 1zgg s VAL 6 N 0.01 0.01 0.25 -0.44 0.11 -0.38 -1.49 120.40 118.47 1zgg s VAL 6 Ca 0.48 -0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.48 1zgg s VAL 6 Cb -0.25 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1zgg s VAL 6 CO 0.31 -0.05 0.17 0.00 -3.33 0.00 0.00 175.10 172.20 1zgg h THR 8 N 1.67 0.81 -2.17 0.00 1.35 -1.93 -1.15 112.91 111.48 1zgg h THR 8 Ca -0.18 -0.06 -0.59 0.00 -0.55 0.00 0.00 66.41 65.03 1zgg h THR 8 Cb 0.84 0.85 -0.41 0.00 -1.73 0.00 0.00 68.15 67.70 1zgg h THR 8 CO 0.27 0.01 -0.71 0.61 -0.25 0.00 0.00 175.52 175.46 1zgg n GLY 9 N -1.13 4.36 0.00 5.82 0.00 -1.26 -1.26 105.19 111.71 1zgg n GLY 9 Ca -0.09 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.43 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 1.01 0.00 -0.40 1.61 5.15 -1.26 -1.25 115.26 120.12 1zgg n ASN 10 Ca 0.28 0.00 0.38 0.00 -0.60 0.00 0.00 54.58 54.64 1zgg n ASN 10 Cb 0.44 0.00 0.76 0.00 -0.53 0.00 0.00 39.78 40.44 1zgg n ASN 10 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1zgg h THR 11 N 0.00 0.33 -0.11 -0.44 2.02 -1.93 -1.06 112.91 111.72 1zgg h THR 11 Ca 0.00 -0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1zgg h THR 11 Cb 0.00 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1zgg h THR 11 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 1zgg n ARG 13 N -4.28 0.00 -0.14 0.00 0.63 -0.91 -4.62 116.66 107.35 1zgg n ARG 13 Ca -0.01 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.88 1zgg n ARG 13 Cb 0.27 -0.03 0.03 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 -0.35 0.93 6.15 0.02 -1.48 -0.54 113.55 118.28 1zgg h SER 14 Ca 0.00 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1zgg h SER 14 Cb 0.00 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1zgg h SER 14 CO 0.00 -0.12 -0.21 1.55 -1.14 0.00 0.00 176.83 176.91 1zgg h PRO 15 N 0.03 0.00 -0.32 3.45 0.13 -1.87 -0.47 132.00 132.95 1zgg h PRO 15 Ca 0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.29 1zgg h PRO 15 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1zgg h PRO 15 CO -0.43 0.21 0.01 0.52 -0.23 0.00 0.00 178.00 178.08 1zgg h MET 16 N 0.00 0.56 -0.68 0.86 2.86 -1.50 -1.21 114.93 115.83 1zgg h MET 16 Ca -0.00 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1zgg h MET 16 Cb 0.73 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1zgg h MET 16 CO 0.03 0.69 0.12 0.00 1.06 0.00 0.00 176.91 178.80 1zgg h ALA 17 N 0.85 0.92 -0.12 6.32 0.00 -0.53 -1.38 119.26 125.33 1zgg h ALA 17 Ca 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1zgg h ALA 17 Cb 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1zgg h ALA 17 CO 0.02 0.67 0.01 1.49 0.00 0.00 0.00 179.25 181.43 1zgg h GLU 18 N 1.05 0.05 -0.58 0.00 4.81 -1.03 0.49 114.58 119.37 1zgg h GLU 18 Ca 0.21 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1zgg h GLU 18 Cb 0.43 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1zgg h GLU 18 CO 0.01 0.03 -0.06 0.00 -0.73 0.00 0.00 179.01 178.27 1zgg h ALA 19 N 1.09 0.80 -0.50 2.92 0.00 -1.06 0.35 119.26 122.86 1zgg h ALA 19 Ca 0.05 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1zgg h ALA 19 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1zgg h ALA 19 CO -0.08 0.68 -0.02 1.25 0.00 0.00 0.00 179.25 181.08 1zgg h LEU 20 N 0.96 0.87 -0.58 0.00 6.46 -1.06 -1.62 115.31 120.34 1zgg h LEU 20 Ca 0.16 -0.32 -0.14 0.00 -0.12 0.00 0.00 57.88 57.46 1zgg h LEU 20 Cb 0.62 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1zgg h LEU 20 CO 0.04 0.98 -0.42 0.15 -0.62 0.00 0.00 178.44 178.57 1zgg h PHE 21 N 0.75 0.80 -0.50 1.25 3.57 -0.57 -0.23 116.94 122.00 1zgg h PHE 21 Ca 0.14 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1zgg h PHE 21 Cb 0.54 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1zgg h PHE 21 CO 0.04 0.97 0.26 0.87 -2.23 0.00 0.00 178.31 178.22 1zgg h LYS 22 N 0.54 0.50 -0.44 1.11 1.57 -0.79 0.24 116.57 119.30 1zgg h LYS 22 Ca 0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1zgg h LYS 22 Cb 0.95 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1zgg h LYS 22 CO 0.09 0.33 0.17 0.77 -0.57 0.00 0.00 179.45 180.24 1zgg h SER 23 N 0.52 0.61 -0.64 0.86 0.02 -0.94 -0.89 113.55 113.08 1zgg h SER 23 Ca 0.22 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1zgg h SER 23 Cb 0.11 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1zgg h SER 23 CO -0.14 0.62 0.25 0.40 -1.14 0.00 0.00 176.83 176.82 1zgg h ILE 24 N 0.57 1.24 -0.50 3.27 2.04 -0.58 -1.61 117.51 121.93 1zgg h ILE 24 Ca 0.15 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.14 1zgg h ILE 24 Cb 0.20 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1zgg h ILE 24 CO -0.01 0.29 -0.14 0.00 0.00 0.00 0.00 178.15 178.30 1zgg h ALA 25 N 1.10 0.81 -0.48 1.87 0.00 -0.33 -0.08 119.26 122.15 1zgg h ALA 25 Ca 0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1zgg h ALA 25 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1zgg h ALA 25 CO -0.02 0.66 0.18 1.49 0.00 0.00 0.00 179.25 181.56 1zgg h GLU 26 N 0.85 0.73 -0.13 0.00 4.57 -0.83 0.11 114.58 119.88 1zgg h GLU 26 Ca 0.13 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 1zgg h GLU 26 Cb 0.69 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1zgg h GLU 26 CO 0.05 0.67 -0.59 0.07 -1.18 0.00 0.00 179.01 178.02 1zgg h ARG 27 N 0.64 0.43 0.00 1.92 0.11 -1.08 -3.08 114.38 113.32 1zgg h ARG 27 Ca 0.16 -0.29 -0.04 0.00 0.10 0.00 0.00 59.98 59.91 1zgg h ARG 27 Cb 0.22 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1zgg h ARG 27 CO -0.01 0.90 -0.18 1.49 0.10 0.00 0.00 179.97 182.27 1zgg h GLU 28 N 0.32 0.00 -0.49 0.08 4.57 -0.77 -3.47 114.58 114.82 1zgg h GLU 28 Ca -0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1zgg h GLU 28 Cb 1.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1zgg h GLU 28 CO 0.10 0.18 -0.10 0.41 -1.18 0.00 0.00 179.01 178.42 1zgg n GLY 29 N 0.47 0.36 3.77 1.92 0.00 0.24 -5.06 105.19 106.91 1zgg n GLY 29 Ca 0.01 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.18 2.34 -0.25 0.99 1.43 -0.31 -5.03 118.68 116.66 1zgg s LEU 30 Ca 0.00 1.27 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 1zgg s LEU 30 Cb 0.00 -3.76 0.08 0.00 0.03 0.00 0.00 46.19 42.54 1zgg s LEU 30 CO 0.00 -2.31 0.06 0.21 0.23 0.00 0.00 176.35 174.54 1zgg s ASN 31 N -3.79 3.42 0.27 2.29 2.47 -1.26 -4.75 114.94 113.59 1zgg s ASN 31 Ca 0.62 -1.18 -0.07 0.00 0.42 0.00 0.00 52.86 52.66 1zgg s ASN 31 Cb -0.15 -0.70 -0.01 0.00 -1.45 0.00 0.00 41.25 38.94 1zgg s ASN 31 CO 0.55 -0.36 0.41 0.68 -3.72 0.00 0.00 177.10 174.66 1zgg s VAL 32 N 1.77 0.00 0.09 -5.21 -7.23 -1.26 -4.78 120.40 103.78 1zgg s VAL 32 Ca 0.04 -1.59 0.10 0.00 -1.81 0.00 0.00 61.98 58.71 1zgg s VAL 32 Cb -0.17 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1zgg s VAL 32 CO -0.17 0.00 -0.26 0.21 -0.31 0.00 0.00 175.10 174.57 1zgg s ASN 33 N -3.13 3.19 0.01 4.85 2.47 -0.21 -5.01 114.94 117.11 1zgg s ASN 33 Ca 0.29 -0.68 0.01 0.00 0.42 0.00 0.00 52.86 52.90 1zgg s ASN 33 Cb 0.01 -0.24 -0.01 0.00 -1.45 0.00 0.00 41.25 39.56 1zgg s ASN 33 CO 0.14 0.20 -0.04 0.68 -3.72 0.00 0.00 177.10 174.36 1zgg s VAL 34 N -0.96 0.31 0.30 -5.21 -7.23 -1.26 -1.42 120.40 104.92 1zgg s VAL 34 Ca 0.13 -0.34 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1zgg s VAL 34 Cb -0.10 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.53 1zgg s VAL 34 CO 0.04 -0.02 0.35 0.00 -0.31 0.00 0.00 175.10 175.16 1zgg s ARG 35 N -0.39 1.67 0.05 4.82 1.70 -0.07 -4.94 118.95 121.80 1zgg s ARG 35 Ca -0.01 -1.73 0.02 0.00 -0.47 0.00 0.00 55.73 53.53 1zgg s ARG 35 Cb -0.03 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1zgg s ARG 35 CO -0.00 -0.65 -0.07 -1.12 -1.08 0.00 0.00 175.30 172.38 1zgg s SER 36 N -3.23 0.82 0.38 -2.89 0.01 -1.26 -1.11 113.70 106.42 1zgg s SER 36 Ca 0.34 -0.65 -0.08 0.00 1.31 0.00 0.00 55.95 56.87 1zgg s SER 36 Cb 0.02 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.34 1zgg s SER 36 CO 0.19 -0.28 0.63 0.00 0.41 0.00 0.00 173.24 174.19 1zgg n ALA 37 N 1.13 -0.98 -3.06 1.44 0.00 -0.55 -4.74 120.51 113.75 1zgg n ALA 37 Ca -0.21 -1.49 -0.11 0.00 0.00 0.00 0.00 53.44 51.64 1zgg n ALA 37 Cb 0.56 1.19 -0.11 0.00 0.00 0.00 0.00 19.45 21.09 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 -3.15 0.04 0.53 0.00 0.00 -0.97 -3.33 107.32 100.43 1zgg s GLY 38 Ca 0.24 -0.07 0.29 0.00 0.00 0.00 0.00 44.72 45.18 1zgg s GLY 38 CO 0.17 -0.17 2.07 -0.39 0.00 0.00 0.00 173.10 174.78 1zgg h VAL 39 N 4.52 0.45 0.00 1.40 -1.51 -1.17 0.07 116.25 120.01 1zgg h VAL 39 Ca -0.29 -0.53 -0.15 0.00 -1.23 0.00 0.00 66.70 64.50 1zgg h VAL 39 Cb 1.20 1.37 -0.32 0.00 -2.13 0.00 0.00 31.29 31.41 1zgg h VAL 39 CO 0.41 0.10 -0.93 0.49 -1.23 0.00 0.00 177.57 176.41 1zgg n PHE 40 N -3.50 0.00 -1.26 5.19 3.72 -0.39 -4.76 117.46 116.46 1zgg n PHE 40 Ca -0.01 -0.48 -0.29 0.00 -0.05 0.00 0.00 57.45 56.61 1zgg n PHE 40 Cb 0.25 -0.14 0.19 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.17 1.05 0.00 4.37 0.00 -0.87 -4.73 121.76 121.41 1zgg s ALA 41 Ca 0.30 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1zgg s ALA 41 Cb 0.33 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1zgg s ALA 41 CO -0.14 -3.00 -0.07 -1.12 0.00 0.00 0.00 175.76 171.43 1zgg s SER 42 N -3.82 0.86 0.00 0.00 0.01 -1.26 -4.24 113.70 105.25 1zgg s SER 42 Ca 0.68 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1zgg s SER 42 Cb -0.14 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1zgg s SER 42 CO 0.56 0.05 0.00 -2.65 0.41 0.00 0.00 173.24 171.61 1zgg n PRO 43 N 2.70 0.00 0.00 12.44 -0.02 -1.25 -2.77 135.00 146.10 1zgg n PRO 43 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1zgg n PRO 43 Cb 0.57 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 1zgg n PRO 43 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1zgg n ASN 44 N -0.27 0.00 -4.80 2.55 6.94 -1.26 -4.79 115.26 113.63 1zgg n ASN 44 Ca 0.00 -1.00 -0.34 0.00 -0.02 0.00 0.00 54.58 53.22 1zgg n ASN 44 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1zgg n ASN 44 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1zgg s GLY 45 N 0.00 2.53 -0.24 4.83 0.00 -1.11 -4.95 107.32 108.38 1zgg s GLY 45 Ca 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 44.72 45.18 1zgg s GLY 45 CO 0.00 0.83 0.41 1.25 0.00 0.00 0.00 173.10 175.58 1zgg s LYS 46 N -2.87 0.37 0.39 2.90 2.20 -1.26 -0.40 119.74 121.06 1zgg s LYS 46 Ca 0.60 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1zgg s LYS 46 Cb -0.14 -0.29 0.00 0.00 -1.51 0.00 0.00 37.83 35.90 1zgg s LYS 46 CO 0.18 -0.60 0.00 0.00 -0.36 0.00 0.00 175.35 174.57 1zgg n ALA 47 N 5.37 0.00 -2.22 3.13 0.00 -1.03 -4.92 120.51 120.85 1zgg n ALA 47 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1zgg n ALA 47 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 0.51 0.61 0.00 -4.23 -1.26 -4.95 115.64 106.32 1zgg s THR 48 Ca 0.00 -1.80 0.29 0.00 -1.18 0.00 0.00 61.69 59.00 1zgg s THR 48 Cb 0.00 -1.50 0.35 0.00 1.34 0.00 0.00 72.50 72.69 1zgg s THR 48 CO 0.00 -0.86 1.90 -0.65 -0.54 0.00 0.00 174.62 174.46 1zgg h PRO 49 N 3.19 0.00 0.00 3.99 0.11 -2.00 -2.00 132.00 135.29 1zgg h PRO 49 Ca -0.35 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 1zgg h PRO 49 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1zgg h PRO 49 CO 0.63 0.00 -1.42 0.72 -0.21 0.00 0.00 178.00 177.71 1zgg n HIS 50 N -3.45 0.00 0.03 0.65 8.25 -1.26 -4.01 115.22 115.42 1zgg n HIS 50 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.39 1zgg n HIS 50 Cb 0.57 -0.29 -0.07 0.00 1.12 0.00 0.00 29.99 31.33 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 0.40 0.01 -0.70 -1.41 0.00 -1.91 0.32 119.26 115.96 1zgg h ALA 51 Ca -0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1zgg h ALA 51 Cb 1.15 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1zgg h ALA 51 CO 0.01 -0.46 0.29 -0.24 0.00 0.00 0.00 179.25 178.85 1zgg h VAL 52 N -0.06 1.24 -0.15 0.00 3.04 -1.61 -1.51 116.25 117.21 1zgg h VAL 52 Ca 0.00 -0.73 -0.16 0.00 -1.01 0.00 0.00 66.70 64.80 1zgg h VAL 52 Cb 0.06 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 1zgg h VAL 52 CO -0.00 0.30 -0.57 -0.08 -1.01 0.00 0.00 177.57 176.21 1zgg h GLU 53 N 1.01 0.48 -0.45 4.17 4.81 -1.66 0.09 114.58 123.04 1zgg h GLU 53 Ca 0.24 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1zgg h GLU 53 Cb 0.18 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1zgg h GLU 53 CO -0.02 0.92 0.15 0.00 -0.73 0.00 0.00 179.01 179.32 1zgg h ALA 54 N 1.02 0.59 0.00 2.92 0.00 -0.32 0.57 119.26 124.03 1zgg h ALA 54 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1zgg h ALA 54 Cb 1.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1zgg h ALA 54 CO 0.10 0.23 -0.30 -0.07 0.00 0.00 0.00 179.25 179.21 1zgg h LEU 55 N 0.59 0.00 -0.48 0.00 -0.00 -1.17 -1.21 115.31 113.04 1zgg h LEU 55 Ca 0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.87 1zgg h LEU 55 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1zgg h LEU 55 CO -0.01 0.30 -0.41 0.15 -0.00 0.00 0.00 178.44 178.48 1zgg h PHE 56 N 0.00 0.97 -0.70 1.13 3.57 -0.54 0.10 116.94 121.47 1zgg h PHE 56 Ca -0.00 -0.29 -0.06 0.00 3.53 0.00 0.00 57.97 61.15 1zgg h PHE 56 Cb 0.97 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1zgg h PHE 56 CO 0.00 1.08 0.22 1.49 -2.23 0.00 0.00 178.31 178.86 1zgg h GLU 57 N 0.66 1.09 0.00 1.11 4.81 -0.59 -0.64 114.58 121.01 1zgg h GLU 57 Ca 0.05 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1zgg h GLU 57 Cb 0.97 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1zgg h GLU 57 CO 0.09 0.93 0.00 1.17 -0.73 0.00 0.00 179.01 180.47 1zgg n LYS 58 N -4.26 0.19 -2.95 1.92 4.81 -0.48 -4.92 118.16 112.48 1zgg n LYS 58 Ca 0.06 0.13 -0.12 0.00 -0.87 0.00 0.00 58.31 57.51 1zgg n LYS 58 Cb 0.22 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.83 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 -1.35 -1.55 0.00 5.64 8.25 -0.25 -4.96 115.22 121.01 1zgg n HIS 59 Ca 0.08 0.64 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 1zgg n HIS 59 Cb 0.17 -4.06 0.00 0.00 1.12 0.00 0.00 29.99 27.22 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 -3.10 0.00 -3.19 1.59 5.41 0.26 -5.02 119.36 115.32 1zgg n ILE 60 Ca -0.18 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.47 1zgg n ILE 60 Cb 0.61 -0.64 0.01 0.00 -0.71 0.00 0.00 39.64 38.91 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 -1.60 -2.67 -1.63 -1.39 0.00 -1.04 -4.94 120.51 107.24 1zgg n ALA 61 Ca 0.00 0.27 -0.46 0.00 0.00 0.00 0.00 53.44 53.25 1zgg n ALA 61 Cb 0.34 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.42 2.43 -3.20 0.00 0.00 -1.26 -4.99 117.00 108.56 1zgg n LEU 62 Ca -0.04 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.13 1zgg n LEU 62 Cb 0.54 -1.35 -0.02 0.00 0.00 0.00 0.00 43.42 42.60 1zgg n LEU 62 CO 0.54 -0.91 0.07 0.21 0.00 0.00 0.00 177.39 177.30 1zgg s ASN 63 N -0.04 -0.97 -0.15 1.96 3.84 -1.26 -4.90 114.94 113.41 1zgg s ASN 63 Ca 0.66 0.25 -0.06 0.00 0.21 0.00 0.00 52.86 53.93 1zgg s ASN 63 Cb -0.71 1.79 0.07 0.00 -0.55 0.00 0.00 41.25 41.85 1zgg s ASN 63 CO 0.54 -0.30 0.32 -2.28 -2.79 0.00 0.00 177.10 172.59 1zgg s HIS 64 N 2.75 -0.56 -0.15 0.43 2.46 -1.26 -5.07 115.29 113.89 1zgg s HIS 64 Ca 0.13 1.18 -0.23 0.00 0.47 0.00 0.00 55.06 56.61 1zgg s HIS 64 Cb -0.12 0.09 -0.03 0.00 -0.13 0.00 0.00 32.58 32.39 1zgg s HIS 64 CO -0.25 -0.40 0.70 0.08 -2.47 0.00 0.00 174.74 172.41 1zgg s VAL 65 N 2.48 4.99 1.06 0.89 1.01 -1.26 -2.46 120.40 127.11 1zgg s VAL 65 Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 1zgg s VAL 65 Cb -0.12 -4.02 0.22 0.00 0.00 0.00 0.00 36.38 32.46 1zgg s VAL 65 CO -0.10 0.13 1.08 -0.44 0.00 0.00 0.00 175.10 175.77 1zgg s SER 66 N 1.05 1.82 0.04 3.32 0.01 0.47 -4.98 113.70 115.43 1zgg s SER 66 Ca 0.34 1.79 -0.27 0.00 1.31 0.00 0.00 55.95 59.12 1zgg s SER 66 Cb -0.16 -2.41 0.08 0.00 0.21 0.00 0.00 66.02 63.74 1zgg s SER 66 CO 0.13 -3.72 0.73 -0.44 0.41 0.00 0.00 173.24 170.35 1zgg s SER 67 N -2.61 -0.52 0.68 2.44 0.01 -1.25 -3.92 113.70 108.53 1zgg s SER 67 Ca 0.68 0.22 -0.13 0.00 1.31 0.00 0.00 55.95 58.02 1zgg s SER 67 Cb -0.24 0.50 0.01 0.00 0.21 0.00 0.00 66.02 66.50 1zgg s SER 67 CO 0.62 -0.73 1.08 -2.16 0.41 0.00 0.00 173.24 172.46 1zgg s PRO 68 N -2.70 2.81 -0.28 12.44 0.04 -1.26 -2.30 135.00 143.75 1zgg s PRO 68 Ca -0.01 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.01 1zgg s PRO 68 Cb -0.01 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1zgg s PRO 68 CO -0.05 -1.22 0.65 -1.17 0.04 0.00 0.00 177.00 175.25 1zgg s LEU 69 N -5.21 4.09 0.22 -3.56 2.96 0.00 -4.60 118.68 112.58 1zgg s LEU 69 Ca 0.63 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 1zgg s LEU 69 Cb -0.17 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 1zgg s LEU 69 CO 0.47 -0.44 0.04 0.42 -1.32 0.00 0.00 176.35 175.53 1zgg s THR 70 N 2.59 0.66 0.31 3.68 -4.23 -1.26 -4.82 115.64 112.57 1zgg s THR 70 Ca 0.27 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.86 1zgg s THR 70 Cb -0.15 -2.36 0.06 0.00 1.34 0.00 0.00 72.50 71.38 1zgg s THR 70 CO 0.10 -0.26 1.74 -0.08 -0.54 0.00 0.00 174.62 175.58 1zgg h GLU 71 N 2.54 0.22 -0.61 3.99 4.81 -1.96 -1.74 114.58 121.83 1zgg h GLU 71 Ca -0.37 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 1zgg h GLU 71 Cb 1.22 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1zgg h GLU 71 CO 0.62 0.57 0.13 1.05 -0.73 0.00 0.00 179.01 180.65 1zgg h GLU 72 N 0.19 0.95 -0.34 1.92 4.11 -1.98 0.17 114.58 119.60 1zgg h GLU 72 Ca 0.02 -0.21 -0.09 0.00 0.07 0.00 0.00 59.36 59.14 1zgg h GLU 72 Cb 0.75 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1zgg h GLU 72 CO 0.06 0.86 -0.16 1.25 0.07 0.00 0.00 179.01 181.09 1zgg h LEU 73 N 0.91 0.72 -0.55 3.06 5.85 -1.76 -0.85 115.31 122.69 1zgg h LEU 73 Ca 0.19 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1zgg h LEU 73 Cb 0.34 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1zgg h LEU 73 CO 0.00 0.96 0.30 -0.03 -0.34 0.00 0.00 178.44 179.33 1zgg h MET 74 N 0.47 0.56 -0.60 1.25 4.05 -0.85 -0.82 114.93 118.99 1zgg h MET 74 Ca 0.08 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 1zgg h MET 74 Cb 0.69 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1zgg h MET 74 CO 0.05 0.37 0.05 0.93 0.23 0.00 0.00 176.91 178.54 1zgg h GLU 75 N 0.58 1.01 -0.38 0.39 5.08 -0.57 -3.04 114.58 117.66 1zgg h GLU 75 Ca 0.23 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1zgg h GLU 75 Cb 0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1zgg h GLU 75 CO -0.14 0.97 -0.23 0.77 -1.00 0.00 0.00 179.01 179.37 1zgg h SER 76 N 0.94 0.77 -3.57 1.42 0.02 -0.55 -3.45 113.55 109.12 1zgg h SER 76 Ca 0.18 -0.28 -0.46 0.00 -0.84 0.00 0.00 61.79 60.40 1zgg h SER 76 Cb 0.48 -0.21 0.12 0.00 0.14 0.00 0.00 62.40 62.93 1zgg h SER 76 CO 0.02 0.97 0.31 0.00 -1.14 0.00 0.00 176.83 176.99 1zgg s ALA 77 N -4.59 2.82 0.00 3.77 0.00 -0.37 -4.93 121.76 118.45 1zgg s ALA 77 Ca -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1zgg s ALA 77 Cb 0.13 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1zgg s ALA 77 CO 0.83 -1.90 0.00 -3.47 0.00 0.00 0.00 175.76 171.22 1zgg n ASP 78 N -3.33 1.40 -4.00 0.00 2.03 -0.15 -4.96 116.55 107.55 1zgg n ASP 78 Ca 0.13 -0.03 -0.10 0.00 0.52 0.00 0.00 54.79 55.30 1zgg n ASP 78 Cb 0.60 0.35 -0.11 0.00 -0.72 0.00 0.00 41.12 41.23 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 -0.97 2.22 -0.00 -2.67 2.96 -0.20 -4.84 118.68 115.18 1zgg s LEU 79 Ca 0.00 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1zgg s LEU 79 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 46.19 46.70 1zgg s LEU 79 CO 0.00 -0.25 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.05 1zgg s VAL 80 N -1.32 0.34 -0.32 1.68 1.01 -0.10 -1.23 120.40 120.44 1zgg s VAL 80 Ca -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1zgg s VAL 80 Cb -0.09 -0.29 0.11 0.00 0.00 0.00 0.00 36.38 36.11 1zgg s VAL 80 CO -0.01 0.08 0.13 -0.76 0.00 0.00 0.00 175.10 174.55 1zgg s LEU 81 N -0.14 1.73 -0.13 3.92 1.43 0.39 -1.06 118.68 124.81 1zgg s LEU 81 Ca 0.01 -1.73 -0.09 0.00 -1.03 0.00 0.00 54.13 51.29 1zgg s LEU 81 Cb -0.02 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 1zgg s LEU 81 CO -0.00 -0.39 0.19 0.00 0.23 0.00 0.00 176.35 176.37 1zgg s ALA 82 N 1.53 3.78 0.29 4.21 0.00 -0.14 -1.25 121.76 130.18 1zgg s ALA 82 Ca 0.11 -0.58 0.36 0.00 0.00 0.00 0.00 51.96 51.86 1zgg s ALA 82 Cb -0.18 -2.11 1.66 0.00 0.00 0.00 0.00 23.12 22.48 1zgg s ALA 82 CO -0.22 0.44 2.10 0.52 0.00 0.00 0.00 175.76 178.60 1zgg h MET 83 N 5.50 0.00 -3.94 0.00 0.00 -1.35 0.16 114.93 115.31 1zgg h MET 83 Ca -0.50 0.00 -0.11 0.00 0.00 0.00 0.00 59.70 59.09 1zgg h MET 83 Cb 1.20 0.00 -0.16 0.00 0.00 0.00 0.00 31.60 32.65 1zgg h MET 83 CO 0.64 0.02 -0.52 0.95 0.00 0.00 0.00 176.91 178.00 1zgg s THR 84 N -3.85 0.16 0.42 2.22 -4.23 -1.26 -4.34 115.64 104.77 1zgg s THR 84 Ca -0.01 -1.34 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 1zgg s THR 84 Cb 0.10 -1.23 0.24 0.00 1.34 0.00 0.00 72.50 72.95 1zgg s THR 84 CO 0.51 -0.74 2.03 1.12 -0.54 0.00 0.00 174.62 177.01 1zgg h HIS 85 N 3.20 0.35 -0.58 3.99 2.07 -1.89 -1.30 115.15 120.99 1zgg h HIS 85 Ca -0.33 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.17 1zgg h HIS 85 Cb 1.18 -0.11 -0.03 0.00 2.57 0.00 0.00 27.41 31.01 1zgg h HIS 85 CO 0.50 0.28 0.31 0.37 -3.07 0.00 0.00 177.93 176.33 1zgg h GLN 86 N 0.37 0.81 -0.58 5.12 5.75 -1.98 -0.44 115.11 124.15 1zgg h GLN 86 Ca 0.09 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1zgg h GLN 86 Cb 0.07 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1zgg h GLN 86 CO -0.01 0.62 0.20 0.45 -2.65 0.00 0.00 178.83 177.44 1zgg h HIS 87 N 0.78 0.92 -0.88 3.99 3.86 -1.78 -0.27 115.15 121.78 1zgg h HIS 87 Ca 0.20 -0.09 0.07 0.00 -1.16 0.00 0.00 60.37 59.40 1zgg h HIS 87 Cb 0.05 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.19 1zgg h HIS 87 CO -0.01 0.76 0.55 -0.22 0.86 0.00 0.00 177.93 179.87 1zgg h LYS 88 N 0.82 0.96 0.00 2.45 3.64 -0.77 0.44 116.57 124.10 1zgg h LYS 88 Ca 0.19 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 1zgg h LYS 88 Cb 0.26 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1zgg h LYS 88 CO -0.01 0.63 -0.72 1.96 -2.27 0.00 0.00 179.45 179.04 1zgg h GLN 89 N 0.98 0.00 -0.32 1.90 1.08 -0.78 -1.28 115.11 116.70 1zgg h GLN 89 Ca 0.39 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.57 1zgg h GLN 89 Cb 0.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1zgg h GLN 89 CO -0.19 0.72 0.11 0.82 -0.95 0.00 0.00 178.83 179.35 1zgg h ILE 90 N 0.00 1.19 -0.61 2.54 2.04 -0.10 -0.49 117.51 122.09 1zgg h ILE 90 Ca -0.01 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.29 1zgg h ILE 90 Cb 1.31 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 1zgg h ILE 90 CO 0.09 0.21 0.35 0.40 0.00 0.00 0.00 178.15 179.20 1zgg h ILE 91 N 0.36 1.00 -0.77 -0.67 2.04 -0.77 0.11 117.51 118.81 1zgg h ILE 91 Ca 0.10 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1zgg h ILE 91 Cb 0.22 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1zgg h ILE 91 CO -0.01 0.12 0.46 0.00 0.00 0.00 0.00 178.15 178.72 1zgg h ALA 92 N 1.30 1.06 -0.01 1.87 0.00 -1.02 -1.53 119.26 120.94 1zgg h ALA 92 Ca 0.26 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1zgg h ALA 92 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1zgg h ALA 92 CO -0.15 0.17 -0.60 0.77 0.00 0.00 0.00 179.25 179.44 1zgg h SER 93 N 0.84 0.05 -0.18 0.00 0.02 0.42 0.42 113.55 115.12 1zgg h SER 93 Ca 0.34 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.18 1zgg h SER 93 Cb 0.19 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1zgg h SER 93 CO -0.18 0.64 -0.22 1.56 -1.14 0.00 0.00 176.83 177.48 1zgg h GLN 94 N 0.03 0.46 -0.23 3.45 4.20 -0.31 -3.38 115.11 119.34 1zgg h GLN 94 Ca -0.01 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1zgg h GLN 94 Cb 1.06 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1zgg h GLN 94 CO 0.08 0.85 0.00 1.19 -0.67 0.00 0.00 178.83 180.28 1zgg n PHE 95 N -4.44 0.30 -1.88 2.96 3.72 -0.62 -4.99 117.46 112.50 1zgg n PHE 95 Ca -0.06 -0.34 -0.02 0.00 -0.05 0.00 0.00 57.45 56.99 1zgg n PHE 95 Cb 0.42 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.50 0.56 2.41 1.37 0.00 -0.51 -3.92 105.19 105.61 1zgg n GLY 96 Ca 0.09 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.52 -1.37 0.00 1.61 3.00 0.02 -4.88 116.66 113.52 1zgg n ARG 97 Ca -0.02 0.98 0.00 0.00 -0.00 0.00 0.00 57.85 58.81 1zgg n ARG 97 Cb 0.51 -5.39 0.00 0.00 0.00 0.00 0.00 32.46 27.59 1zgg n ARG 97 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1zgg n TYR 98 N -3.42 0.00 0.87 -0.14 4.19 -1.25 -4.32 117.16 113.09 1zgg n TYR 98 Ca -0.20 -0.04 0.08 0.00 3.31 0.00 0.00 57.90 61.05 1zgg n TYR 98 Cb 0.64 -0.08 0.45 0.00 0.49 0.00 0.00 39.34 40.84 1zgg n TYR 98 CO 0.00 0.00 0.00 2.89 0.91 0.00 0.00 176.86 180.66 1zgg n ARG 99 N 0.27 0.32 -0.13 2.98 1.85 -1.26 -3.59 116.66 117.09 1zgg n ARG 99 Ca 0.00 0.10 0.10 0.00 -1.00 0.00 0.00 57.85 57.04 1zgg n ARG 99 Cb 0.17 -1.50 0.44 0.00 -1.05 0.00 0.00 32.46 30.52 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 0.49 1.26 2.89 3.58 -2.00 0.18 116.42 122.82 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 0.12 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1zgg h ASP 100 CO 0.00 0.30 0.00 0.11 -2.88 0.00 0.00 179.24 176.77 1zgg h LYS 101 N 0.55 0.00 -5.92 0.28 1.57 -1.88 -3.46 116.57 107.71 1zgg h LYS 101 Ca 0.30 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.48 1zgg h LYS 101 Cb 0.43 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 1zgg h LYS 101 CO -0.09 0.00 -0.17 0.08 -0.57 0.00 0.00 179.45 178.70 1zgg s VAL 102 N -3.42 5.06 0.05 0.50 1.01 0.05 -0.93 120.40 122.72 1zgg s VAL 102 Ca 0.04 0.91 0.05 0.00 0.00 0.00 0.00 61.98 62.98 1zgg s VAL 102 Cb 0.08 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1zgg s VAL 102 CO 0.55 0.48 -0.14 -0.36 0.00 0.00 0.00 175.10 175.64 1zgg s PHE 103 N -0.43 1.17 0.62 5.22 0.40 -0.23 -4.96 117.98 119.78 1zgg s PHE 103 Ca 0.25 -0.41 -0.14 0.00 -0.60 0.00 0.00 56.93 56.03 1zgg s PHE 103 Cb -0.16 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 1zgg s PHE 103 CO 0.13 0.04 1.05 0.99 0.70 0.00 0.00 175.22 178.12 1zgg s THR 104 N -1.08 3.99 0.16 0.64 2.01 -1.26 -0.96 115.64 119.14 1zgg s THR 104 Ca -0.01 0.83 -0.15 0.00 0.31 0.00 0.00 61.69 62.67 1zgg s THR 104 Cb -0.09 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 69.01 1zgg s THR 104 CO 0.02 -0.66 1.78 0.25 -0.69 0.00 0.00 174.62 175.31 1zgg h LEU 105 N 0.09 0.28 -0.10 4.42 5.85 -0.80 -0.74 115.31 124.31 1zgg h LEU 105 Ca -0.46 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1zgg h LEU 105 Cb 1.21 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1zgg h LEU 105 CO 0.58 0.20 -0.16 0.11 -0.34 0.00 0.00 178.44 178.83 1zgg h LYS 106 N 0.40 0.28 -0.83 1.25 1.79 -1.75 -3.37 116.57 114.34 1zgg h LYS 106 Ca 0.18 -0.17 0.19 0.00 -2.18 0.00 0.00 60.65 58.66 1zgg h LYS 106 Cb 0.09 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.65 1zgg h LYS 106 CO -0.13 0.75 0.31 1.49 -1.08 0.00 0.00 179.45 180.79 1zgg h GLU 107 N -0.17 0.37 -0.23 3.15 4.81 -0.48 0.21 114.58 122.23 1zgg h GLU 107 Ca 0.01 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1zgg h GLU 107 Cb 0.73 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1zgg h GLU 107 CO 0.04 0.24 0.16 -0.92 -0.73 0.00 0.00 179.01 177.80 1zgg h TYR 108 N 0.38 0.07 0.00 0.92 3.20 -1.34 -1.12 116.97 119.07 1zgg h TYR 108 Ca 0.49 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 62.08 1zgg h TYR 108 Cb 0.87 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 1zgg h TYR 108 CO -0.18 0.04 -2.00 0.28 -1.64 0.00 0.00 178.16 174.66 1zgg n VAL 109 N -4.48 0.99 0.04 1.81 0.31 0.43 -4.64 118.33 112.79 1zgg n VAL 109 Ca 0.02 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 64.02 1zgg n VAL 109 Cb 0.26 -1.46 -0.08 0.00 -0.91 0.00 0.00 33.84 31.65 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 -0.36 0.72 0.00 2.52 1.35 -0.83 -3.48 112.91 112.82 1zgg h THR 110 Ca -0.43 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1zgg h THR 110 Cb 1.49 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 1zgg h THR 110 CO -0.18 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1zgg n GLY 111 N 1.40 0.74 2.90 5.82 0.00 -0.42 -5.02 105.19 110.61 1zgg n GLY 111 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.14 0.45 1.61 0.01 -1.25 -4.94 113.70 107.35 1zgg s SER 112 Ca 0.00 -0.07 -0.25 0.00 1.31 0.00 0.00 55.95 56.94 1zgg s SER 112 Cb 0.00 -0.00 -0.08 0.00 0.21 0.00 0.00 66.02 66.14 1zgg s SER 112 CO 0.00 -0.02 1.40 1.41 0.41 0.00 0.00 173.24 176.45 1zgg n HIS 113 N 2.90 2.59 0.00 2.43 -0.00 -1.26 -1.87 115.22 120.01 1zgg n HIS 113 Ca -0.13 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 1zgg n HIS 113 Cb 0.59 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 28.14 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 0.63 -0.25 3.18 -1.41 0.00 -1.26 -4.85 105.19 101.23 1zgg n GLY 114 Ca 0.06 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 0.44 0.79 1.61 2.15 -1.26 -2.58 116.67 117.82 1zgg s ASP 115 Ca 0.00 -1.26 -0.11 0.00 0.43 0.00 0.00 52.55 51.61 1zgg s ASP 115 Cb 0.00 0.28 0.07 0.00 -0.30 0.00 0.00 42.92 42.98 1zgg s ASP 115 CO 0.00 -0.74 1.16 -0.69 -0.17 0.00 0.00 175.17 174.73 1zgg s VAL 116 N -4.01 2.10 0.25 1.11 1.01 -1.26 -4.88 120.40 114.72 1zgg s VAL 116 Ca 0.28 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1zgg s VAL 116 Cb 0.07 -3.02 -0.14 0.00 0.00 0.00 0.00 36.38 33.29 1zgg s VAL 116 CO 0.05 -0.03 1.18 -0.11 0.00 0.00 0.00 175.10 176.19 1zgg n LEU 117 N -3.26 2.20 -4.42 3.92 0.00 -1.26 -4.97 117.00 109.21 1zgg n LEU 117 Ca 0.08 1.16 -0.44 0.00 0.00 0.00 0.00 56.01 56.81 1zgg n LEU 117 Cb 0.61 -1.32 -0.09 0.00 0.00 0.00 0.00 43.42 42.62 1zgg n LEU 117 CO 0.56 -1.06 -0.01 -0.62 0.00 0.00 0.00 177.39 176.27 1zgg s ASP 118 N -0.16 6.13 0.00 1.96 2.15 -1.26 -4.84 116.67 120.66 1zgg s ASP 118 Ca 0.65 -1.16 0.28 0.00 0.43 0.00 0.00 52.55 52.75 1zgg s ASP 118 Cb -0.72 -2.18 1.09 0.00 -0.30 0.00 0.00 42.92 40.81 1zgg s ASP 118 CO 0.55 -0.57 1.77 -0.81 -0.17 0.00 0.00 175.17 175.94 1zgg n PRO 119 N 5.19 1.35 -1.54 4.34 -0.04 -1.26 -4.96 135.00 138.08 1zgg n PRO 119 Ca -0.12 -0.72 -0.52 0.00 -0.04 0.00 0.00 63.50 62.11 1zgg n PRO 119 Cb 0.45 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1zgg n PRO 119 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zgg n PHE 120 N -0.20 1.82 -0.73 0.54 7.35 -1.26 -0.49 117.46 124.48 1zgg n PHE 120 Ca 0.18 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 1zgg n PHE 120 Cb 0.32 -2.54 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 5.71 0.77 3.90 7.13 0.00 -1.26 -5.06 105.19 116.39 1zgg n GLY 121 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.85 1.76 0.90 -0.02 0.00 0.35 -5.08 107.32 103.38 1zgg s GLY 122 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.46 1zgg s GLY 122 CO 0.00 -0.39 1.09 -0.56 0.00 0.00 0.00 173.10 173.25 1zgg s SER 123 N -4.80 3.50 0.39 1.64 0.01 -1.26 -4.86 113.70 108.32 1zgg s SER 123 Ca 0.73 1.43 0.14 0.00 1.31 0.00 0.00 55.95 59.56 1zgg s SER 123 Cb -0.05 -2.11 0.97 0.00 0.21 0.00 0.00 66.02 65.04 1zgg s SER 123 CO 0.53 -2.61 1.86 -0.29 0.41 0.00 0.00 173.24 173.13 1zgg h ILE 124 N -1.53 0.74 -0.51 1.44 6.09 -1.98 0.03 117.51 121.78 1zgg h ILE 124 Ca -0.50 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 62.80 1zgg h ILE 124 Cb 1.29 0.16 -0.03 0.00 0.47 0.00 0.00 36.82 38.71 1zgg h ILE 124 CO 0.55 0.10 0.26 -0.78 -3.07 0.00 0.00 178.15 175.22 1zgg h ASP 125 N 0.53 0.63 -0.33 2.19 3.58 -1.97 0.19 116.42 121.24 1zgg h ASP 125 Ca 0.47 -0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.73 1zgg h ASP 125 Cb 0.98 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1zgg h ASP 125 CO -0.20 0.52 -0.32 0.40 -2.88 0.00 0.00 179.24 176.77 1zgg h ILE 126 N 0.71 1.29 -0.78 2.25 1.08 -1.34 0.11 117.51 120.84 1zgg h ILE 126 Ca 0.18 -1.48 -0.05 0.00 -0.39 0.00 0.00 64.86 63.12 1zgg h ILE 126 Cb 0.05 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.25 1zgg h ILE 126 CO -0.03 0.48 0.29 1.88 -0.69 0.00 0.00 178.15 180.09 1zgg h TYR 127 N 0.57 1.20 -0.62 1.37 -1.99 -1.13 -1.86 116.97 114.52 1zgg h TYR 127 Ca 0.05 -0.10 -0.09 0.00 2.00 0.00 0.00 58.73 60.59 1zgg h TYR 127 Cb 0.89 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 1zgg h TYR 127 CO 0.07 0.92 0.03 -0.22 -0.00 0.00 0.00 178.16 178.95 1zgg h LYS 128 N 1.13 1.07 -0.82 4.88 3.11 -0.25 -0.83 116.57 124.88 1zgg h LYS 128 Ca 0.26 -0.33 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1zgg h LYS 128 Cb 0.24 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.33 1zgg h LYS 128 CO -0.02 1.03 0.51 1.96 -2.81 0.00 0.00 179.45 180.13 1zgg h GLN 129 N 0.98 1.10 -0.48 1.90 4.20 -0.61 -1.54 115.11 120.65 1zgg h GLN 129 Ca 0.18 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.83 1zgg h GLN 129 Cb 0.53 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1zgg h GLN 129 CO 0.03 0.75 0.28 1.15 -0.67 0.00 0.00 178.83 180.36 1zgg h THR 130 N 1.12 1.03 -0.90 -0.54 2.02 -0.75 -2.37 112.91 112.51 1zgg h THR 130 Ca 0.30 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1zgg h THR 130 Cb -0.08 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 1zgg h THR 130 CO -0.06 0.10 0.58 0.03 0.37 0.00 0.00 175.52 176.54 1zgg h ARG 131 N 0.55 1.20 -0.64 6.66 2.47 -0.35 0.02 114.38 124.28 1zgg h ARG 131 Ca 0.20 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.76 1zgg h ARG 131 Cb 0.04 -0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 28.07 1zgg h ARG 131 CO -0.10 0.81 0.10 0.22 0.56 0.00 0.00 179.97 181.56 1zgg h ASP 132 N 1.23 1.02 -0.15 7.04 3.58 -0.91 0.14 116.42 128.37 1zgg h ASP 132 Ca 0.33 -0.26 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1zgg h ASP 132 Cb -0.12 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.66 1zgg h ASP 132 CO -0.07 1.02 -0.10 -0.08 -2.88 0.00 0.00 179.24 177.13 1zgg h GLU 133 N 0.98 0.34 -0.30 0.28 4.81 -1.17 -2.86 114.58 116.66 1zgg h GLU 133 Ca 0.19 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1zgg h GLU 133 Cb 0.44 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1zgg h GLU 133 CO 0.01 0.68 -0.17 1.25 -0.73 0.00 0.00 179.01 180.06 1zgg h LEU 134 N -0.01 0.52 -0.52 1.64 6.46 -0.79 -1.33 115.31 121.28 1zgg h LEU 134 Ca 0.03 -0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.58 1zgg h LEU 134 Cb 0.60 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1zgg h LEU 134 CO 0.03 0.71 0.12 -0.08 -0.62 0.00 0.00 178.44 178.60 1zgg h GLU 135 N 0.48 0.83 -0.56 1.25 4.81 -0.73 0.11 114.58 120.77 1zgg h GLU 135 Ca 0.08 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1zgg h GLU 135 Cb 0.58 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1zgg h GLU 135 CO 0.04 0.80 0.19 1.49 -0.73 0.00 0.00 179.01 180.80 1zgg h GLU 136 N 0.72 0.86 -0.27 1.92 4.81 -1.20 -0.46 114.58 120.96 1zgg h GLU 136 Ca 0.16 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1zgg h GLU 136 Cb 0.35 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1zgg h GLU 136 CO 0.00 0.77 0.17 1.25 -0.73 0.00 0.00 179.01 180.47 1zgg h LEU 137 N 0.78 0.32 -0.97 1.64 5.85 -1.04 -3.00 115.31 118.90 1zgg h LEU 137 Ca 0.18 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1zgg h LEU 137 Cb 0.26 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1zgg h LEU 137 CO -0.01 0.26 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.92 1zgg h LEU 138 N 0.35 0.00 -0.94 2.25 3.38 -0.38 0.03 115.31 119.99 1zgg h LEU 138 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1zgg h LEU 138 Cb -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1zgg h LEU 138 CO -0.02 0.37 0.39 0.03 0.09 0.00 0.00 178.44 179.30 1zgg h ARG 139 N 0.00 1.15 -0.41 1.13 3.08 -0.96 0.74 114.38 119.10 1zgg h ARG 139 Ca -0.00 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 1zgg h ARG 139 Cb 0.88 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1zgg h ARG 139 CO 0.05 0.88 0.01 1.96 -1.07 0.00 0.00 179.97 181.79 1zgg h GLN 140 N 1.14 0.71 -1.01 0.04 4.20 -1.15 -2.65 115.11 116.39 1zgg h GLN 140 Ca 0.28 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1zgg h GLN 140 Cb 0.10 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1zgg h GLN 140 CO -0.04 0.79 0.66 1.25 -0.67 0.00 0.00 178.83 180.83 1zgg h LEU 141 N 0.54 1.13 -0.36 1.46 6.46 -0.36 0.33 115.31 124.51 1zgg h LEU 141 Ca 0.12 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.79 1zgg h LEU 141 Cb 0.46 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1zgg h LEU 141 CO 0.02 0.79 -0.05 0.00 -0.62 0.00 0.00 178.44 178.59 1zgg h ALA 142 N 1.39 0.49 -0.22 1.25 0.00 -0.88 -0.54 119.26 120.76 1zgg h ALA 142 Ca 0.39 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1zgg h ALA 142 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1zgg h ALA 142 CO -0.10 0.30 -0.19 1.57 0.00 0.00 0.00 179.25 180.83 1zgg h LYS 143 N 0.47 0.38 0.48 0.00 2.10 -0.93 -2.08 116.57 117.00 1zgg h LYS 143 Ca 0.10 -0.12 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 1zgg h LYS 143 Cb 0.53 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1zgg h LYS 143 CO 0.03 0.57 -0.23 1.96 -2.00 0.00 0.00 179.45 179.77 1zgg h GLN 144 N 0.35 -0.62 -0.79 0.07 4.20 -0.85 -3.31 115.11 114.16 1zgg h GLN 144 Ca 0.06 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.94 1zgg h GLN 144 Cb 0.54 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.37 1zgg h GLN 144 CO 0.04 -0.35 0.39 -0.07 -0.67 0.00 0.00 178.83 178.17 1zgg h LEU 145 N -0.81 0.47 -0.24 1.46 3.38 -0.44 0.11 115.31 119.26 1zgg h LEU 145 Ca -0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1zgg h LEU 145 Cb 0.57 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1zgg h LEU 145 CO 0.11 0.22 0.04 0.29 0.09 0.00 0.00 178.44 179.19 1zgg n LYS 146 N -4.88 0.02 -0.26 1.13 5.02 -0.89 -1.80 118.16 116.50 1zgg n LYS 146 Ca 0.14 0.50 0.02 0.00 -2.02 0.00 0.00 58.31 56.95 1zgg n LYS 146 Cb 0.37 -1.61 0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1zgg n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1zgg n LYS 147 N -1.60 0.55 0.00 1.97 5.02 0.32 -5.09 118.16 119.33 1zgg n LYS 147 Ca -0.00 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.00 1zgg n LYS 147 Cb 0.04 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1zgg n LYS 147 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1zgg n ASP 148 N -0.36 0.78 0.18 4.39 2.03 -0.75 -5.02 116.55 117.80 1zgg n ASP 148 Ca 0.04 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.49 1zgg n ASP 148 Cb 0.61 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.72 1zgg n ASP 148 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1zgg h ARG 149 N 0.00 0.00 0.00 -0.67 2.43 -1.89 -3.49 114.38 110.76 1zgg h ARG 149 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1zgg h ARG 149 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1zgg h ARG 149 CO 0.00 0.00 0.00 -2.13 -1.51 0.00 0.00 179.97 176.33