#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zqs n LEU 7 N 0.00 -0.57 -4.51 3.14 4.77 -1.26 -4.99 117.00 113.58 2zqs n LEU 7 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2zqs n LEU 7 Cb 0.00 0.81 0.24 0.00 -2.33 0.00 0.00 43.42 42.14 2zqs n LEU 7 CO 0.00 0.00 0.52 -2.65 -1.33 0.00 0.00 177.39 173.93 2zqs n PRO 8 N -0.55 -1.98 -1.63 3.23 -0.02 -1.26 -4.84 135.00 127.95 2zqs n PRO 8 Ca 0.00 -0.54 -0.47 0.00 -2.02 0.00 0.00 63.50 60.47 2zqs n PRO 8 Cb 0.00 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 2zqs n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2zqs n PRO 9 N -4.72 1.65 0.00 0.52 -0.02 -1.26 -2.07 135.00 129.09 2zqs n PRO 9 Ca 0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2zqs n PRO 9 Cb 0.54 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2zqs n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zqs n GLY 10 N 2.37 2.99 3.76 -1.23 0.00 -1.26 -4.93 105.19 106.89 2zqs n GLY 10 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2zqs n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2zqs s TRP 11 N -1.70 3.90 -0.09 1.61 0.52 -0.88 -0.58 118.94 121.72 2zqs s TRP 11 Ca 0.00 1.73 -0.14 0.00 0.02 0.00 0.00 56.10 57.71 2zqs s TRP 11 Cb 0.00 -2.89 0.03 0.00 -1.15 0.00 0.00 33.47 29.46 2zqs s TRP 11 CO 0.00 0.41 0.35 -2.00 0.02 0.00 0.00 176.95 175.73 2zqs s GLU 12 N -0.82 0.52 0.07 4.98 2.12 -0.44 -4.83 118.70 120.30 2zqs s GLU 12 Ca 0.40 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.68 2zqs s GLU 12 Cb -0.24 0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 2zqs s GLU 12 CO 0.28 -0.10 1.00 0.21 -0.54 0.00 0.00 175.26 176.11 2zqs s LYS 13 N -0.36 4.62 0.39 4.30 2.20 -1.26 -1.12 119.74 128.49 2zqs s LYS 13 Ca -0.05 1.49 0.05 0.00 -0.36 0.00 0.00 55.97 57.09 2zqs s LYS 13 Cb -0.03 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 2zqs s LYS 13 CO 0.02 0.07 0.17 1.03 -0.36 0.00 0.00 175.35 176.27 2zqs s ARG 14 N 0.43 1.88 -0.00 4.03 1.81 0.21 -4.93 118.95 122.37 2zqs s ARG 14 Ca 0.50 -2.13 -0.00 0.00 -1.72 0.00 0.00 55.73 52.38 2zqs s ARG 14 Cb -0.23 -0.36 0.00 0.00 -0.45 0.00 0.00 34.95 33.91 2zqs s ARG 14 CO 0.30 -0.52 0.01 1.41 -0.68 0.00 0.00 175.30 175.81 2zqs s MET 15 N -3.65 0.02 0.36 3.54 -2.45 -1.26 -0.50 119.30 115.34 2zqs s MET 15 Ca 0.28 -0.01 -0.27 0.00 -1.25 0.00 0.00 55.69 54.44 2zqs s MET 15 Cb 0.02 0.01 -0.09 0.00 1.25 0.00 0.00 34.83 36.02 2zqs s MET 15 CO 0.18 -0.00 1.25 -1.12 1.05 0.00 0.00 175.02 176.37 2zqs s SER 16 N -0.03 6.69 0.33 1.11 0.01 -0.71 -4.99 113.70 116.10 2zqs s SER 16 Ca -0.00 2.55 -0.27 0.00 1.31 0.00 0.00 55.95 59.53 2zqs s SER 16 Cb -0.00 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2zqs s SER 16 CO -0.00 -0.58 1.13 -0.13 0.41 0.00 0.00 173.24 174.07 2zqs s ARG 17 N -1.95 4.40 -1.34 12.44 0.52 -1.26 -2.76 118.95 129.00 2zqs s ARG 17 Ca 0.52 1.81 -0.03 0.00 -0.52 0.00 0.00 55.73 57.51 2zqs s ARG 17 Cb -0.36 -2.95 0.02 0.00 0.52 0.00 0.00 34.95 32.17 2zqs s ARG 17 CO 0.47 -0.01 0.22 0.45 0.02 0.00 0.00 175.30 176.45 2zqs n SER 18 N 0.69 -4.70 -3.64 0.23 2.88 -1.26 -4.91 113.62 102.90 2zqs n SER 18 Ca 0.01 -0.06 -0.10 0.00 -1.33 0.00 0.00 58.87 57.40 2zqs n SER 18 Cb 0.46 -3.91 -0.02 0.00 -0.75 0.00 0.00 64.21 59.99 2zqs n SER 18 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2zqs s SER 19 N -2.31 -0.41 -0.00 -3.46 0.15 -1.11 -5.07 113.70 101.50 2zqs s SER 19 Ca 0.14 -0.31 0.11 0.00 0.70 0.00 0.00 55.95 56.59 2zqs s SER 19 Cb -0.07 0.66 -0.13 0.00 -1.71 0.00 0.00 66.02 64.77 2zqs s SER 19 CO 0.17 -1.15 0.49 0.61 1.20 0.00 0.00 173.24 174.56 2zqs n GLY 20 N -0.41 -0.10 3.54 9.45 0.00 -1.26 -4.39 105.19 112.02 2zqs n GLY 20 Ca -0.11 -0.33 -0.51 0.00 0.00 0.00 0.00 46.02 45.08 2zqs n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zqs n ARG 21 N -1.28 1.36 -3.16 1.61 3.00 -1.26 -4.73 116.66 112.20 2zqs n ARG 21 Ca 0.02 0.43 -0.38 0.00 -0.01 0.00 0.00 57.85 57.91 2zqs n ARG 21 Cb 0.18 -2.50 -0.06 0.00 0.00 0.00 0.00 32.46 30.08 2zqs n ARG 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2zqs s VAL 22 N 6.24 4.60 0.34 1.55 1.01 -1.26 -1.73 120.40 131.14 2zqs s VAL 22 Ca 1.04 1.34 -0.09 0.00 0.00 0.00 0.00 61.98 64.28 2zqs s VAL 22 Cb -0.82 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 31.65 2zqs s VAL 22 CO 0.51 0.44 0.60 0.00 0.00 0.00 0.00 175.10 176.65 2zqs n TYR 23 N 1.38 -1.88 -5.02 5.22 4.11 0.34 -4.90 117.16 116.41 2zqs n TYR 23 Ca -0.07 -1.85 -0.32 0.00 -0.00 0.00 0.00 57.90 55.66 2zqs n TYR 23 Cb 0.50 0.70 -0.15 0.00 -0.00 0.00 0.00 39.34 40.40 2zqs n TYR 23 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2zqs s TYR 24 N -2.99 2.61 0.03 -3.48 1.51 0.17 0.63 117.35 115.83 2zqs s TYR 24 Ca 0.19 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 2zqs s TYR 24 Cb -0.03 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 2zqs s TYR 24 CO 0.14 -0.04 -0.17 0.12 -1.11 0.00 0.00 175.55 174.49 2zqs s PHE 25 N -0.32 1.54 -0.29 2.71 5.36 -0.28 -1.41 117.98 125.29 2zqs s PHE 25 Ca 0.02 -0.34 -0.05 0.00 -0.96 0.00 0.00 56.93 55.60 2zqs s PHE 25 Cb -0.13 -0.93 0.02 0.00 -0.34 0.00 0.00 43.02 41.64 2zqs s PHE 25 CO 0.02 0.05 0.03 1.21 -1.46 0.00 0.00 175.22 175.07 2zqs s ASN 26 N -0.98 4.88 0.26 6.13 3.84 -0.10 -1.33 114.94 127.64 2zqs s ASN 26 Ca 0.05 -0.85 0.21 0.00 0.21 0.00 0.00 52.86 52.49 2zqs s ASN 26 Cb -0.08 -1.80 1.00 0.00 -0.55 0.00 0.00 41.25 39.83 2zqs s ASN 26 CO 0.01 -0.19 1.65 1.41 -2.79 0.00 0.00 177.10 177.19 2zqs n HIS 27 N 4.78 0.71 -0.09 0.43 8.25 0.26 0.10 115.22 129.65 2zqs n HIS 27 Ca -0.15 0.32 -0.13 0.00 -0.26 0.00 0.00 57.72 57.50 2zqs n HIS 27 Cb 0.47 -1.01 -0.14 0.00 1.12 0.00 0.00 29.99 30.42 2zqs n HIS 27 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2zqs n ILE 28 N -2.18 1.47 0.65 1.59 5.41 -1.26 -4.50 119.36 120.53 2zqs n ILE 28 Ca 0.01 -0.75 0.07 0.00 1.00 0.00 0.00 62.75 63.08 2zqs n ILE 28 Cb 0.13 -0.89 -0.09 0.00 -0.71 0.00 0.00 39.64 38.08 2zqs n ILE 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2zqs n THR 29 N -2.98 0.00 -1.19 1.39 -2.24 -1.16 -3.96 114.28 104.14 2zqs n THR 29 Ca -0.35 -0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 61.20 2zqs n THR 29 Cb 1.09 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 70.21 2zqs n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2zqs n ASN 30 N -1.43 -4.82 -4.80 3.42 5.03 0.11 -0.31 115.26 112.46 2zqs n ASN 30 Ca 0.02 0.16 -0.35 0.00 0.87 0.00 0.00 54.58 55.29 2zqs n ASN 30 Cb 0.26 -2.90 -0.05 0.00 -1.02 0.00 0.00 39.78 36.06 2zqs n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2zqs s ALA 31 N -1.90 3.03 -0.01 5.41 0.00 -1.23 -3.83 121.76 123.23 2zqs s ALA 31 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2zqs s ALA 31 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2zqs s ALA 31 CO 0.00 -0.11 -0.09 -1.12 0.00 0.00 0.00 175.76 174.44 2zqs s SER 32 N -1.84 1.01 0.05 0.00 0.01 -1.26 -0.93 113.70 110.74 2zqs s SER 32 Ca 0.61 -0.16 -0.26 0.00 1.31 0.00 0.00 55.95 57.45 2zqs s SER 32 Cb -0.17 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.01 2zqs s SER 32 CO 0.21 0.10 0.60 0.00 0.41 0.00 0.00 173.24 174.57 2zqs s GLN 33 N -0.22 1.12 0.14 12.44 -2.07 -0.50 -5.00 119.66 125.57 2zqs s GLN 33 Ca 0.03 -0.13 -0.01 0.00 -1.82 0.00 0.00 55.36 53.44 2zqs s GLN 33 Cb -0.03 0.52 -0.08 0.00 -1.09 0.00 0.00 33.01 32.33 2zqs s GLN 33 CO -0.00 -0.42 1.32 -1.49 -1.32 0.00 0.00 175.29 173.38 2zqs h TRP 34 N 2.61 0.42 -3.77 9.60 4.06 -1.90 0.53 115.95 127.50 2zqs h TRP 34 Ca -0.30 -0.24 -0.51 0.00 2.06 0.00 0.00 58.89 59.89 2zqs h TRP 34 Cb 1.22 -0.04 0.02 0.00 -1.00 0.00 0.00 29.16 29.36 2zqs h TRP 34 CO 0.33 1.08 0.51 -1.21 -3.56 0.00 0.00 178.44 175.59 2zqs s GLU 35 N -3.14 4.57 0.21 0.49 8.01 -1.26 -4.63 118.70 122.95 2zqs s GLU 35 Ca -0.04 1.88 -0.31 0.00 0.01 0.00 0.00 54.97 56.52 2zqs s GLU 35 Cb 0.09 -3.18 -0.10 0.00 -4.31 0.00 0.00 34.13 26.64 2zqs s GLU 35 CO 0.85 0.10 1.45 0.50 0.01 0.00 0.00 175.26 178.17 2zqs s ARG 36 N -1.31 4.28 0.09 1.61 3.52 -1.26 -4.70 118.95 121.19 2zqs s ARG 36 Ca 0.46 2.25 0.14 0.00 -0.13 0.00 0.00 55.73 58.46 2zqs s ARG 36 Cb -0.33 -3.15 0.63 0.00 -1.56 0.00 0.00 34.95 30.54 2zqs s ARG 36 CO 0.42 -0.44 1.44 -0.35 -0.81 0.00 0.00 175.30 175.56 2zqs n PRO 37 N 2.96 0.06 -3.66 5.12 -0.04 -1.26 -4.78 135.00 133.40 2zqs n PRO 37 Ca 0.09 0.38 -0.15 0.00 -0.04 0.00 0.00 63.50 63.78 2zqs n PRO 37 Cb 0.40 -1.63 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 2zqs n PRO 37 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2zqs s SER 38 N -3.39 -0.40 -0.13 3.54 1.04 -1.26 -4.87 113.70 108.23 2zqs s SER 38 Ca 0.04 0.39 -0.09 0.00 0.48 0.00 0.00 55.95 56.77 2zqs s SER 38 Cb 0.07 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2zqs s SER 38 CO 0.23 -0.50 -0.18 0.61 0.98 0.00 0.00 173.24 174.38 2zqs n GLY 39 N 1.18 -0.86 2.73 7.32 0.00 -1.26 -5.00 105.19 109.30 2zqs n GLY 39 Ca -0.20 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 2zqs n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zqs s GLY 45 N -4.12 0.03 -0.12 -0.02 0.00 -1.26 -5.07 107.32 96.76 2zqs s GLY 45 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 44.72 44.50 2zqs s GLY 45 CO 0.22 2.24 0.16 1.25 0.00 0.00 0.00 173.10 176.96 2zqs s LYS 46 N 2.31 3.57 -0.01 2.90 2.20 -1.26 -5.10 119.74 124.35 2zqs s LYS 46 Ca 0.07 -0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.55 2zqs s LYS 46 Cb -0.15 -3.22 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2zqs s LYS 46 CO -0.18 0.71 0.07 0.54 -0.36 0.00 0.00 175.35 176.12 2zqs s ASN 47 N -0.85 0.04 -0.52 1.43 4.22 -1.26 -4.82 114.94 113.18 2zqs s ASN 47 Ca 0.15 -0.14 0.00 0.00 -2.14 0.00 0.00 52.86 50.73 2zqs s ASN 47 Cb -0.12 0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.57 2zqs s ASN 47 CO 0.04 -0.21 0.00 0.61 -2.04 0.00 0.00 177.10 175.50 2zqs n GLY 48 N 2.14 0.49 0.13 0.45 0.00 -1.26 -4.93 105.19 102.21 2zqs n GLY 48 Ca -0.19 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 2zqs n GLY 48 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2zqs h GLN 49 N 0.00 0.00 0.00 1.61 4.15 -2.04 -3.49 115.11 115.34 2zqs h GLN 49 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.30 2zqs h GLN 49 Cb 0.70 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.39 2zqs h GLN 49 CO 0.16 0.67 0.00 0.41 -1.93 0.00 0.00 178.83 178.14 2zqs n GLY 50 N 0.46 0.59 3.77 2.39 0.00 -1.26 -4.82 105.19 106.32 2zqs n GLY 50 Ca -0.01 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2zqs n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2zqs s GLU 51 N 0.00 2.68 0.52 1.61 -1.05 -1.26 -5.09 118.70 116.11 2zqs s GLU 51 Ca 0.00 -1.23 -0.22 0.00 -0.15 0.00 0.00 54.97 53.37 2zqs s GLU 51 Cb 0.00 -2.41 -0.05 0.00 -0.44 0.00 0.00 34.13 31.23 2zqs s GLU 51 CO 0.00 0.32 1.29 -1.25 0.95 0.00 0.00 175.26 176.57 2zqs s PRO 52 N -3.82 3.31 0.44 -4.83 0.04 -1.26 -4.91 135.00 123.96 2zqs s PRO 52 Ca 0.34 2.07 0.23 0.00 0.04 0.00 0.00 61.00 63.68 2zqs s PRO 52 Cb -0.07 -2.28 0.37 0.00 0.04 0.00 0.00 34.50 32.57 2zqs s PRO 52 CO 0.24 -1.00 1.62 0.00 0.04 0.00 0.00 177.00 177.89 2zqs h ALA 53 N 1.59 0.99 -2.78 8.56 0.00 -1.98 -3.45 119.26 122.19 2zqs h ALA 53 Ca -0.50 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 2zqs h ALA 53 Cb 1.28 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.83 2zqs h ALA 53 CO 0.58 0.01 -0.25 0.50 0.00 0.00 0.00 179.25 180.09 2zqs s ARG 54 N -3.22 0.46 0.08 0.00 3.52 -1.26 -4.59 118.95 113.95 2zqs s ARG 54 Ca 0.07 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.23 2zqs s ARG 54 Cb 0.05 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 2zqs s ARG 54 CO 0.67 -0.06 -0.07 0.14 -0.81 0.00 0.00 175.30 175.18 2zqs s VAL 55 N 0.20 0.63 -0.13 7.11 -7.23 -0.90 -4.95 120.40 115.11 2zqs s VAL 55 Ca -0.00 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2zqs s VAL 55 Cb -0.03 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.45 2zqs s VAL 55 CO 0.01 -0.79 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.23 2zqs s ARG 56 N -3.40 3.18 0.04 4.82 3.52 -0.84 -0.81 118.95 125.46 2zqs s ARG 56 Ca 0.07 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 2zqs s ARG 56 Cb 0.02 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 2zqs s ARG 56 CO -0.04 0.09 -0.05 0.00 -0.81 0.00 0.00 175.30 174.49 2zqs s SER 58 N -2.05 4.34 0.13 0.00 0.01 -0.04 -1.11 113.70 114.98 2zqs s SER 58 Ca -0.05 -0.83 -0.16 0.00 1.31 0.00 0.00 55.95 56.22 2zqs s SER 58 Cb -0.04 -0.66 0.03 0.00 0.21 0.00 0.00 66.02 65.57 2zqs s SER 58 CO -0.03 -0.13 0.41 -1.38 0.41 0.00 0.00 173.24 172.52 2zqs s HIS 59 N -2.43 -0.17 -0.18 2.43 -3.43 -0.15 -1.38 115.29 109.98 2zqs s HIS 59 Ca 0.33 -0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 2zqs s HIS 59 Cb -0.03 0.26 0.04 0.00 -1.43 0.00 0.00 32.58 31.41 2zqs s HIS 59 CO 0.20 -0.72 -0.10 -1.17 -2.00 0.00 0.00 174.74 170.95 2zqs s LEU 60 N -2.82 1.99 -0.12 5.38 0.20 -0.17 -4.40 118.68 118.74 2zqs s LEU 60 Ca 0.04 -0.75 -0.03 0.00 0.69 0.00 0.00 54.13 54.08 2zqs s LEU 60 Cb 0.02 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.60 2zqs s LEU 60 CO -0.11 -0.14 0.00 -0.22 -0.29 0.00 0.00 176.35 175.60 2zqs s LEU 61 N 1.47 3.52 -0.23 -0.68 2.96 -1.26 -1.35 118.68 123.12 2zqs s LEU 61 Ca 0.01 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2zqs s LEU 61 Cb -0.15 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.75 2zqs s LEU 61 CO -0.09 0.28 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.40 2zqs s VAL 62 N -0.31 2.05 0.50 1.68 1.01 -0.25 0.39 120.40 125.47 2zqs s VAL 62 Ca 0.06 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 2zqs s VAL 62 Cb -0.12 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2zqs s VAL 62 CO 0.02 0.16 0.79 -0.54 0.00 0.00 0.00 175.10 175.53 2zqs s LYS 63 N 1.20 3.37 0.36 2.72 1.02 -1.26 -1.81 119.74 125.34 2zqs s LYS 63 Ca -0.04 0.09 0.06 0.00 0.02 0.00 0.00 55.97 56.09 2zqs s LYS 63 Cb -0.17 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 2zqs s LYS 63 CO -0.08 -0.30 0.21 -2.39 -0.92 0.00 0.00 175.35 171.86 2zqs n HIS 64 N -2.30 -0.30 0.32 3.18 1.44 -1.26 -4.83 115.22 111.47 2zqs n HIS 64 Ca 0.01 -2.63 0.22 0.00 -2.01 0.00 0.00 57.72 53.31 2zqs n HIS 64 Cb 0.56 0.13 1.12 0.00 0.12 0.00 0.00 29.99 31.92 2zqs n HIS 64 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2zqs h SER 65 N 1.77 0.00 -0.52 4.39 4.64 -1.19 -1.82 113.55 120.84 2zqs h SER 65 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2zqs h SER 65 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2zqs h SER 65 CO 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.37 2zqs n GLN 66 N -3.05 2.43 -2.15 4.77 1.13 -1.26 -4.78 117.38 114.46 2zqs n GLN 66 Ca -0.02 -2.19 -0.40 0.00 -1.94 0.00 0.00 57.00 52.45 2zqs n GLN 66 Cb 0.11 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 2zqs n GLN 66 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2zqs s SER 67 N -1.22 6.55 0.19 1.08 0.01 -0.68 -4.83 113.70 114.79 2zqs s SER 67 Ca 0.41 2.57 0.08 0.00 1.31 0.00 0.00 55.95 60.32 2zqs s SER 67 Cb 0.22 -2.64 0.44 0.00 0.21 0.00 0.00 66.02 64.26 2zqs s SER 67 CO 0.30 -0.68 1.12 -2.11 0.41 0.00 0.00 173.24 172.28 2zqs n ARG 68 N 0.37 0.06 -3.16 12.44 1.85 -0.37 -3.10 116.66 124.74 2zqs n ARG 68 Ca 0.02 0.47 -0.10 0.00 -1.00 0.00 0.00 57.85 57.24 2zqs n ARG 68 Cb 0.44 -1.92 -0.04 0.00 -1.05 0.00 0.00 32.46 29.89 2zqs n ARG 68 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2zqs s ARG 69 N -3.05 0.84 -0.35 2.89 3.52 -1.26 -5.05 118.95 116.50 2zqs s ARG 69 Ca -0.01 -0.92 -0.03 0.00 -0.13 0.00 0.00 55.73 54.64 2zqs s ARG 69 Cb 0.02 -0.41 -0.02 0.00 -1.56 0.00 0.00 34.95 32.98 2zqs s ARG 69 CO 0.07 -1.26 1.43 -0.35 -0.81 0.00 0.00 175.30 174.38 2zqs n PRO 70 N 3.75 0.79 -3.56 5.12 -0.04 -1.18 -4.69 135.00 135.19 2zqs n PRO 70 Ca 0.16 -0.87 -0.15 0.00 -0.04 0.00 0.00 63.50 62.59 2zqs n PRO 70 Cb 0.52 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 2zqs n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2zqs s SER 71 N 4.42 -0.62 0.32 3.54 0.15 -1.26 -1.42 113.70 118.84 2zqs s SER 71 Ca 0.16 0.83 -0.17 0.00 0.70 0.00 0.00 55.95 57.46 2zqs s SER 71 Cb 0.04 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 65.10 2zqs s SER 71 CO -0.01 -0.46 0.71 -0.94 1.20 0.00 0.00 173.24 173.74 2zqs s SER 72 N -0.75 -0.08 0.55 5.45 1.04 -1.06 -4.99 113.70 113.87 2zqs s SER 72 Ca -0.06 -0.90 0.30 0.00 0.48 0.00 0.00 55.95 55.77 2zqs s SER 72 Cb -0.01 0.76 1.60 0.00 0.10 0.00 0.00 66.02 68.47 2zqs s SER 72 CO 0.06 -1.46 2.13 4.11 0.98 0.00 0.00 173.24 179.05 2zqs h TRP 73 N 2.03 0.00 -0.25 5.02 5.08 -1.93 -2.62 115.95 123.28 2zqs h TRP 73 Ca -0.25 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.54 2zqs h TRP 73 Cb 1.25 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.41 2zqs h TRP 73 CO 0.85 0.08 -0.54 0.00 -1.28 0.00 0.00 178.44 177.55 2zqs h ARG 74 N 0.00 0.76 -2.21 0.12 3.08 -1.88 -3.46 114.38 110.79 2zqs h ARG 74 Ca -0.00 -0.48 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 2zqs h ARG 74 Cb 0.25 0.06 -0.22 0.00 0.08 0.00 0.00 29.97 30.14 2zqs h ARG 74 CO 0.01 1.11 0.03 1.14 -1.07 0.00 0.00 179.97 181.19 2zqs s GLN 75 N -4.09 0.74 0.18 0.04 -2.07 -0.99 -5.06 119.66 108.42 2zqs s GLN 75 Ca -0.09 0.87 -0.16 0.00 -1.82 0.00 0.00 55.36 54.15 2zqs s GLN 75 Cb 0.11 0.36 0.14 0.00 -1.09 0.00 0.00 33.01 32.53 2zqs s GLN 75 CO 0.87 -0.09 1.65 1.49 -1.32 0.00 0.00 175.29 177.89 2zqs h GLU 76 N 5.12 -0.03 -4.34 9.60 4.81 -1.90 -2.80 114.58 125.04 2zqs h GLU 76 Ca -0.28 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.37 2zqs h GLU 76 Cb 1.17 0.01 -0.37 0.00 0.63 0.00 0.00 28.75 30.18 2zqs h GLU 76 CO 0.11 -0.02 -0.80 0.21 -0.73 0.00 0.00 179.01 177.78 2zqs s LYS 77 N -6.20 1.71 -0.26 1.92 2.47 -1.26 -4.47 119.74 113.65 2zqs s LYS 77 Ca -0.14 -0.62 -0.29 0.00 -1.56 0.00 0.00 55.97 53.36 2zqs s LYS 77 Cb 0.16 -2.14 0.01 0.00 -1.46 0.00 0.00 37.83 34.40 2zqs s LYS 77 CO 0.72 -0.41 1.09 0.42 0.16 0.00 0.00 175.35 177.33 2zqs s ILE 78 N 1.54 4.55 -0.13 5.43 -1.09 -0.51 -4.88 121.20 126.11 2zqs s ILE 78 Ca 0.01 1.84 0.03 0.00 -2.23 0.00 0.00 60.65 60.30 2zqs s ILE 78 Cb -0.15 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.39 2zqs s ILE 78 CO -0.08 -0.29 0.13 0.35 -1.23 0.00 0.00 174.94 173.81 2zqs n THR 79 N 5.56 0.00 -1.90 2.92 -2.24 -1.26 -4.17 114.28 113.18 2zqs n THR 79 Ca 0.12 -0.39 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 2zqs n THR 79 Cb 0.46 0.95 0.04 0.00 -2.10 0.00 0.00 70.33 69.69 2zqs n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2zqs s ARG 80 N -1.38 2.89 0.88 -0.78 1.70 -1.26 -4.59 118.95 116.42 2zqs s ARG 80 Ca 0.01 1.96 -0.12 0.00 -0.47 0.00 0.00 55.73 57.11 2zqs s ARG 80 Cb 0.02 -1.97 0.16 0.00 -0.57 0.00 0.00 34.95 32.60 2zqs s ARG 80 CO 0.13 -1.31 1.23 0.95 -1.08 0.00 0.00 175.30 175.22 2zqs s THR 81 N -1.48 2.04 0.16 4.99 -4.23 -1.26 -0.91 115.64 114.96 2zqs s THR 81 Ca 0.78 -0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 61.04 2zqs s THR 81 Cb -0.34 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.63 2zqs s THR 81 CO 0.37 0.00 1.70 0.11 -0.54 0.00 0.00 174.62 176.26 2zqs h LYS 82 N -1.31 0.84 -0.84 3.99 1.57 -1.95 -1.41 116.57 117.46 2zqs h LYS 82 Ca -0.43 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.15 2zqs h LYS 82 Cb 1.26 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 2zqs h LYS 82 CO 0.43 0.76 0.41 0.93 -0.57 0.00 0.00 179.45 181.42 2zqs h GLU 83 N 0.76 1.20 -0.47 3.15 3.07 -1.99 0.09 114.58 120.38 2zqs h GLU 83 Ca 0.18 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 2zqs h GLU 83 Cb 0.26 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 2zqs h GLU 83 CO -0.01 0.91 -0.07 0.93 -1.40 0.00 0.00 179.01 179.37 2zqs h GLU 84 N 1.19 0.84 -0.44 2.33 5.08 -1.87 -0.99 114.58 120.71 2zqs h GLU 84 Ca 0.29 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2zqs h GLU 84 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2zqs h GLU 84 CO -0.04 0.89 -0.09 0.00 -1.00 0.00 0.00 179.01 178.77 2zqs h ALA 85 N 1.15 0.60 -0.67 3.43 0.00 -0.60 -1.85 119.26 121.32 2zqs h ALA 85 Ca 0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2zqs h ALA 85 Cb 0.57 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2zqs h ALA 85 CO 0.03 0.48 0.19 1.25 0.00 0.00 0.00 179.25 181.20 2zqs h LEU 86 N 0.67 0.97 -0.78 0.00 5.85 -0.79 0.25 115.31 121.48 2zqs h LEU 86 Ca 0.11 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2zqs h LEU 86 Cb 0.62 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2zqs h LEU 86 CO 0.04 0.92 0.31 1.05 -0.34 0.00 0.00 178.44 180.42 2zqs h GLU 87 N 1.00 1.17 -0.45 1.25 4.11 -1.00 0.98 114.58 121.65 2zqs h GLU 87 Ca 0.22 -0.22 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 2zqs h GLU 87 Cb 0.31 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2zqs h GLU 87 CO -0.00 0.95 -0.19 -0.07 0.07 0.00 0.00 179.01 179.77 2zqs h LEU 88 N 1.14 0.93 -0.28 3.06 3.38 -0.83 -1.63 115.31 121.08 2zqs h LEU 88 Ca 0.26 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2zqs h LEU 88 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2zqs h LEU 88 CO -0.02 1.12 0.12 0.40 0.09 0.00 0.00 178.44 180.15 2zqs h ILE 89 N 0.75 1.16 -0.75 1.22 1.08 -0.59 -0.74 117.51 119.64 2zqs h ILE 89 Ca 0.10 -0.49 0.02 0.00 -0.39 0.00 0.00 64.86 64.10 2zqs h ILE 89 Cb 0.75 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 2zqs h ILE 89 CO 0.06 0.17 0.49 0.78 -0.69 0.00 0.00 178.15 178.96 2zqs h ASN 90 N 0.31 0.83 -0.62 1.72 2.35 -0.73 -0.92 115.58 118.53 2zqs h ASN 90 Ca 0.10 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 2zqs h ASN 90 Cb 0.15 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2zqs h ASN 90 CO -0.01 0.59 0.06 1.23 -1.65 0.00 0.00 177.43 177.65 2zqs h GLY 91 N 0.98 1.13 1.08 2.83 0.00 -0.72 -1.60 103.07 106.77 2zqs h GLY 91 Ca 0.28 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 2zqs h GLY 91 CO -0.07 0.73 -0.19 -0.97 0.00 0.00 0.00 176.54 176.03 2zqs h TYR 92 N 0.95 1.10 -0.06 5.60 0.05 -0.49 -1.80 116.97 122.33 2zqs h TYR 92 Ca 0.18 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.70 2zqs h TYR 92 Cb 0.48 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 2zqs h TYR 92 CO 0.04 1.08 0.01 0.82 -1.05 0.00 0.00 178.16 179.05 2zqs h ILE 93 N 0.81 0.98 -0.73 -2.88 2.04 -1.00 -0.65 117.51 116.08 2zqs h ILE 93 Ca 0.11 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.99 2zqs h ILE 93 Cb 0.77 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2zqs h ILE 93 CO 0.06 0.01 0.45 -0.61 0.00 0.00 0.00 178.15 178.06 2zqs h GLN 94 N 0.04 0.84 -0.62 2.37 -0.00 -1.26 0.58 115.11 117.06 2zqs h GLN 94 Ca 0.02 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.57 2zqs h GLN 94 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 27.28 2zqs h GLN 94 CO -0.03 0.56 0.19 -0.22 0.00 0.00 0.00 178.83 179.33 2zqs h LYS 95 N 0.87 0.95 -0.33 1.69 3.64 -0.92 -0.78 116.57 121.68 2zqs h LYS 95 Ca 0.30 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 2zqs h LYS 95 Cb 0.05 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2zqs h LYS 95 CO -0.12 0.81 -0.41 0.82 -2.27 0.00 0.00 179.45 178.28 2zqs h ILE 96 N 0.92 1.28 0.00 2.00 2.04 -0.47 -2.82 117.51 120.46 2zqs h ILE 96 Ca 0.21 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 2zqs h ILE 96 Cb 0.26 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2zqs h ILE 96 CO -0.01 0.52 -0.10 0.11 0.00 0.00 0.00 178.15 178.67 2zqs h LYS 97 N 0.64 0.00 0.00 2.37 1.57 -0.59 -2.81 116.57 117.74 2zqs h LYS 97 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 2zqs h LYS 97 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 2zqs h LYS 97 CO 0.10 0.10 -0.72 0.66 -0.57 0.00 0.00 179.45 179.02 2zqs h SER 98 N 0.00 0.00 0.00 0.86 4.64 -1.08 -3.47 113.55 114.49 2zqs h SER 98 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2zqs h SER 98 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2zqs h SER 98 CO 0.01 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 2zqs n GLY 99 N 1.27 0.45 0.22 -0.77 0.00 -1.06 -4.97 105.19 100.33 2zqs n GLY 99 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2zqs n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2zqs h GLU 100 N 4.81 0.43 -4.67 1.61 4.81 -1.76 -3.45 114.58 116.35 2zqs h GLU 100 Ca 0.00 -0.19 -0.23 0.00 -0.13 0.00 0.00 59.36 58.80 2zqs h GLU 100 Cb 0.00 -0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.21 2zqs h GLU 100 CO 0.00 0.72 -0.70 -1.21 -0.73 0.00 0.00 179.01 177.09 2zqs s GLU 101 N -4.32 0.82 0.18 1.92 0.41 -1.13 -5.05 118.70 111.53 2zqs s GLU 101 Ca -0.06 -1.28 0.07 0.00 -0.41 0.00 0.00 54.97 53.28 2zqs s GLU 101 Cb 0.13 -0.24 -0.04 0.00 -1.78 0.00 0.00 34.13 32.20 2zqs s GLU 101 CO 0.79 -0.00 0.05 0.16 -0.49 0.00 0.00 175.26 175.77 2zqs s ASP 102 N -2.89 5.03 0.15 -0.19 -4.77 -1.26 -4.16 116.67 108.57 2zqs s ASP 102 Ca 0.10 -0.32 -0.18 0.00 -3.30 0.00 0.00 52.55 48.84 2zqs s ASP 102 Cb 0.03 -1.16 0.03 0.00 -1.09 0.00 0.00 42.92 40.74 2zqs s ASP 102 CO -0.04 0.07 1.69 0.15 0.70 0.00 0.00 175.17 177.74 2zqs h PHE 103 N 2.49 -0.16 -0.52 2.11 3.04 -1.97 -2.60 116.94 119.33 2zqs h PHE 103 Ca -0.47 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.57 2zqs h PHE 103 Cb 1.21 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 39.78 2zqs h PHE 103 CO 0.61 -0.13 0.22 0.93 -2.02 0.00 0.00 178.31 177.92 2zqs h GLU 104 N -0.00 0.42 -0.26 1.11 3.07 -1.96 -1.13 114.58 115.82 2zqs h GLU 104 Ca 0.15 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 2zqs h GLU 104 Cb 0.22 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2zqs h GLU 104 CO -0.31 0.28 -0.31 0.66 -1.40 0.00 0.00 179.01 177.92 2zqs h SER 105 N 0.43 0.55 0.26 1.42 4.64 -1.88 -1.75 113.55 117.22 2zqs h SER 105 Ca 0.24 -0.21 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 2zqs h SER 105 Cb 0.22 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2zqs h SER 105 CO -0.21 0.84 -0.71 -0.07 -0.87 0.00 0.00 176.83 175.80 2zqs h LEU 106 N 0.46 0.47 -0.41 5.97 3.38 -1.19 -2.60 115.31 121.39 2zqs h LEU 106 Ca 0.06 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 2zqs h LEU 106 Cb 0.77 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2zqs h LEU 106 CO 0.06 1.04 -0.23 0.00 0.09 0.00 0.00 178.44 179.40 2zqs h ALA 107 N 0.95 0.58 -0.79 1.53 0.00 -1.07 0.19 119.26 120.65 2zqs h ALA 107 Ca -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2zqs h ALA 107 Cb 1.28 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2zqs h ALA 107 CO 0.12 0.56 0.35 0.77 0.00 0.00 0.00 179.25 181.06 2zqs h SER 108 N 0.69 1.06 0.11 0.00 0.02 -1.31 -2.44 113.55 111.67 2zqs h SER 108 Ca 0.09 -0.14 -0.25 0.00 -0.84 0.00 0.00 61.79 60.65 2zqs h SER 108 Cb 0.79 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2zqs h SER 108 CO 0.07 0.91 -1.25 1.56 -1.14 0.00 0.00 176.83 176.97 2zqs h GLN 109 N 1.14 0.24 -0.01 3.45 4.20 -1.36 -3.43 115.11 119.35 2zqs h GLN 109 Ca 0.27 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2zqs h GLN 109 Cb 0.15 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2zqs h GLN 109 CO -0.03 1.20 -0.01 1.19 -0.67 0.00 0.00 178.83 180.51 2zqs n PHE 110 N -4.00 0.00 -2.40 2.96 3.72 0.66 -5.00 117.46 113.40 2zqs n PHE 110 Ca -0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 2zqs n PHE 110 Cb 0.87 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.38 2zqs n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2zqs s SER 111 N -0.54 7.06 0.00 4.37 0.15 -0.92 -4.83 113.70 119.00 2zqs s SER 111 Ca 0.06 2.05 0.27 0.00 0.70 0.00 0.00 55.95 59.04 2zqs s SER 111 Cb 0.05 -2.58 1.42 0.00 -1.71 0.00 0.00 66.02 63.20 2zqs s SER 111 CO 0.08 -0.47 1.93 0.47 1.20 0.00 0.00 173.24 176.45 2zqs n ASP 112 N 3.82 0.00 -4.83 5.45 8.00 0.16 -4.78 116.55 124.36 2zqs n ASP 112 Ca 0.09 -0.27 -0.35 0.00 0.71 0.00 0.00 54.79 54.97 2zqs n ASP 112 Cb 0.46 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 2zqs n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zqs s ALA 113 N -2.44 3.48 0.52 2.24 0.00 -1.26 -4.35 121.76 119.95 2zqs s ALA 113 Ca 0.29 -0.00 0.27 0.00 0.00 0.00 0.00 51.96 52.52 2zqs s ALA 113 Cb 0.18 -2.67 1.62 0.00 0.00 0.00 0.00 23.12 22.26 2zqs s ALA 113 CO 0.39 0.39 2.17 0.66 0.00 0.00 0.00 175.76 179.38 2zqs h SER 114 N 3.29 0.00 0.00 0.00 4.64 -2.00 -1.47 113.55 118.02 2zqs h SER 114 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2zqs h SER 114 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2zqs h SER 114 CO 0.66 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 175.13 2zqs n SER 115 N -3.84 0.00 0.20 4.97 3.41 -1.26 -1.61 113.62 115.49 2zqs n SER 115 Ca -0.03 0.05 0.05 0.00 -0.26 0.00 0.00 58.87 58.69 2zqs n SER 115 Cb 0.14 -0.07 0.50 0.00 -0.26 0.00 0.00 64.21 64.53 2zqs n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2zqs h ALA 116 N 2.04 1.72 0.00 7.33 0.00 -1.53 0.16 119.26 128.98 2zqs h ALA 116 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2zqs h ALA 116 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2zqs h ALA 116 CO 0.00 0.21 -0.04 1.57 0.00 0.00 0.00 179.25 181.00 2zqs h LYS 117 N 0.06 0.00 -0.53 0.00 2.10 -1.57 -0.21 116.57 116.42 2zqs h LYS 117 Ca 0.01 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.39 2zqs h LYS 117 Cb 0.26 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.43 2zqs h LYS 117 CO 0.02 0.04 0.12 0.00 -2.00 0.00 0.00 179.45 177.63 2zqs n ALA 118 N -2.18 4.64 -2.78 0.07 0.00 -0.48 -4.92 120.51 114.87 2zqs n ALA 118 Ca -0.02 -3.05 -0.20 0.00 0.00 0.00 0.00 53.44 50.17 2zqs n ALA 118 Cb 0.16 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.68 2zqs n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2zqs n ARG 119 N -1.10 -3.28 0.00 0.00 1.74 -0.09 -1.61 116.66 112.32 2zqs n ARG 119 Ca 0.40 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.32 2zqs n ARG 119 Cb 1.21 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 27.08 2zqs n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zqs n GLY 120 N -1.20 2.39 3.70 -0.13 0.00 0.46 -4.67 105.19 105.74 2zqs n GLY 120 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2zqs n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2zqs s ASP 121 N -3.07 6.48 0.00 1.61 2.15 -0.64 -0.98 116.67 122.23 2zqs s ASP 121 Ca 0.00 2.71 0.18 0.00 0.43 0.00 0.00 52.55 55.87 2zqs s ASP 121 Cb 0.00 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.97 2zqs s ASP 121 CO 0.00 -0.94 0.88 0.18 -0.17 0.00 0.00 175.17 175.12 2zqs n LEU 122 N 4.93 1.48 0.00 -1.34 4.77 -0.27 -4.85 117.00 121.73 2zqs n LEU 122 Ca 0.16 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2zqs n LEU 122 Cb 0.38 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2zqs n LEU 122 CO 0.64 0.30 -0.00 0.61 -1.33 0.00 0.00 177.39 177.60 2zqs n GLY 123 N 1.31 -2.05 3.85 -0.72 0.00 -1.25 -4.88 105.19 101.45 2zqs n GLY 123 Ca 0.06 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 2zqs n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zqs s ALA 124 N -1.05 3.48 0.18 4.61 0.00 -1.26 -3.32 121.76 124.39 2zqs s ALA 124 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 2zqs s ALA 124 Cb 0.00 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.55 2zqs s ALA 124 CO 0.00 0.42 0.45 -0.59 0.00 0.00 0.00 175.76 176.05 2zqs s PHE 125 N -1.74 -0.04 0.41 0.00 -0.71 0.01 -4.98 117.98 110.93 2zqs s PHE 125 Ca 0.46 -0.31 0.07 0.00 -1.04 0.00 0.00 56.93 56.12 2zqs s PHE 125 Cb -0.12 0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 41.91 2zqs s PHE 125 CO 0.20 -0.84 0.15 -1.12 -1.34 0.00 0.00 175.22 172.27 2zqs s SER 126 N -2.88 4.33 0.54 1.98 0.01 -1.26 -2.13 113.70 114.29 2zqs s SER 126 Ca 0.09 -1.14 -0.21 0.00 1.31 0.00 0.00 55.95 56.00 2zqs s SER 126 Cb 0.00 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 2zqs s SER 126 CO -0.04 -0.54 1.30 -0.13 0.41 0.00 0.00 173.24 174.24 2zqs s ARG 127 N -3.87 3.19 0.00 12.44 0.52 -1.26 -3.05 118.95 126.91 2zqs s ARG 127 Ca 0.40 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.68 2zqs s ARG 127 Cb 0.05 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.31 2zqs s ARG 127 CO 0.22 -1.10 0.00 0.41 0.02 0.00 0.00 175.30 174.84 2zqs n GLY 128 N 0.66 0.69 0.13 -3.53 0.00 -1.26 -4.92 105.19 96.95 2zqs n GLY 128 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2zqs n GLY 128 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2zqs n GLN 129 N -2.00 0.67 -3.44 1.61 -0.06 -1.17 -5.00 117.38 107.99 2zqs n GLN 129 Ca 0.00 0.16 -0.19 0.00 -2.00 0.00 0.00 57.00 54.96 2zqs n GLN 129 Cb 0.00 -1.56 -0.01 0.00 -4.06 0.00 0.00 30.24 24.61 2zqs n GLN 129 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 2zqs s MET 130 N -2.53 2.78 0.39 3.69 -1.94 -1.26 -5.07 119.30 115.36 2zqs s MET 130 Ca -0.30 -1.29 -0.28 0.00 -1.71 0.00 0.00 55.69 52.11 2zqs s MET 130 Cb 0.08 -2.60 -0.11 0.00 2.01 0.00 0.00 34.83 34.22 2zqs s MET 130 CO 0.66 -0.10 1.48 -0.65 -0.01 0.00 0.00 175.02 176.39 2zqs s GLN 131 N -4.17 4.04 0.22 2.03 -0.21 -1.26 -4.67 119.66 115.64 2zqs s GLN 131 Ca 0.48 2.56 -0.17 0.00 0.02 0.00 0.00 55.36 58.25 2zqs s GLN 131 Cb -0.07 -2.92 0.23 0.00 1.00 0.00 0.00 33.01 31.24 2zqs s GLN 131 CO 0.30 -0.58 1.50 1.17 -2.12 0.00 0.00 175.29 175.56 2zqs n LYS 132 N 0.36 -0.23 -0.33 2.91 3.00 -1.26 -1.08 118.16 121.53 2zqs n LYS 132 Ca 0.02 1.49 -0.03 0.00 -0.00 0.00 0.00 58.31 59.78 2zqs n LYS 132 Cb 0.39 -2.21 0.09 0.00 0.00 0.00 0.00 35.03 33.30 2zqs n LYS 132 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2zqs h PRO 133 N 0.00 1.16 -0.50 1.64 0.11 -1.90 0.16 132.00 132.67 2zqs h PRO 133 Ca 0.33 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.29 2zqs h PRO 133 Cb 0.57 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 2zqs h PRO 133 CO -0.96 0.77 0.00 0.35 -0.21 0.00 0.00 178.00 177.95 2zqs h PHE 134 N 1.19 0.95 0.05 0.65 3.04 -1.57 -2.45 116.94 118.80 2zqs h PHE 134 Ca 0.32 -0.16 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 2zqs h PHE 134 Cb -0.14 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.12 2zqs h PHE 134 CO -0.01 0.89 -0.02 1.49 -2.02 0.00 0.00 178.31 178.64 2zqs h GLU 135 N 0.74 -0.06 -0.78 1.11 4.81 -0.64 -1.28 114.58 118.48 2zqs h GLU 135 Ca 0.14 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2zqs h GLU 135 Cb 0.51 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 2zqs h GLU 135 CO 0.02 0.09 0.44 -0.44 -0.73 0.00 0.00 179.01 178.39 2zqs h ASP 136 N -0.20 0.64 -0.25 1.04 3.32 -0.62 -1.57 116.42 118.78 2zqs h ASP 136 Ca -0.01 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2zqs h ASP 136 Cb 0.18 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2zqs h ASP 136 CO 0.01 0.38 -0.10 0.00 -1.72 0.00 0.00 179.24 177.81 2zqs h ALA 137 N 1.42 0.35 -0.71 3.45 0.00 -1.36 -2.88 119.26 119.52 2zqs h ALA 137 Ca 0.36 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2zqs h ALA 137 Cb 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2zqs h ALA 137 CO -0.22 0.19 0.40 0.77 0.00 0.00 0.00 179.25 180.38 2zqs h SER 138 N 0.23 0.58 0.33 0.00 0.02 -0.64 -2.04 113.55 112.04 2zqs h SER 138 Ca 0.06 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2zqs h SER 138 Cb 0.59 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2zqs h SER 138 CO 0.03 0.37 -0.08 0.49 -1.14 0.00 0.00 176.83 176.50 2zqs n PHE 139 N -4.77 0.00 1.01 3.45 3.01 -0.64 -2.99 117.46 116.51 2zqs n PHE 139 Ca 0.10 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.66 2zqs n PHE 139 Cb 0.20 -0.17 -0.06 0.00 -0.01 0.00 0.00 39.48 39.44 2zqs n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2zqs n ALA 140 N -0.95 4.44 -2.10 4.37 0.00 -0.81 -4.65 120.51 120.81 2zqs n ALA 140 Ca 0.16 -0.58 -0.34 0.00 0.00 0.00 0.00 53.44 52.68 2zqs n ALA 140 Cb 0.26 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 2zqs n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2zqs s LEU 141 N -2.91 4.20 0.23 0.00 1.43 -0.95 -4.95 118.68 115.72 2zqs s LEU 141 Ca 0.10 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 54.63 2zqs s LEU 141 Cb 0.17 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2zqs s LEU 141 CO 0.80 -0.10 0.33 -0.13 0.23 0.00 0.00 176.35 177.49 2zqs s ARG 142 N -2.49 3.39 0.19 1.70 0.52 -1.26 -5.00 118.95 115.99 2zqs s ARG 142 Ca 0.49 -0.76 -0.33 0.00 -0.52 0.00 0.00 55.73 54.61 2zqs s ARG 142 Cb -0.13 -2.87 -0.14 0.00 0.52 0.00 0.00 34.95 32.33 2zqs s ARG 142 CO 0.19 0.44 1.48 2.41 0.02 0.00 0.00 175.30 179.84 2zqs n THR 143 N -1.25 0.39 0.00 0.02 -1.04 -1.26 -1.36 114.28 109.78 2zqs n THR 143 Ca -0.09 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2zqs n THR 143 Cb 0.57 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 2zqs n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2zqs n GLY 144 N 2.81 1.93 3.85 3.41 0.00 -0.17 -5.03 105.19 112.00 2zqs n GLY 144 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2zqs n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zqs s GLU 145 N -0.50 3.95 -0.01 1.61 2.02 -0.47 -4.85 118.70 120.45 2zqs s GLU 145 Ca 0.00 0.66 0.05 0.00 0.02 0.00 0.00 54.97 55.70 2zqs s GLU 145 Cb 0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2zqs s GLU 145 CO 0.00 0.05 -0.16 1.41 0.02 0.00 0.00 175.26 176.58 2zqs s MET 146 N -3.33 2.32 0.89 1.61 -2.45 -1.26 -1.82 119.30 115.25 2zqs s MET 146 Ca 0.54 -0.82 -0.14 0.00 -1.25 0.00 0.00 55.69 54.02 2zqs s MET 146 Cb -0.10 -2.28 0.15 0.00 1.25 0.00 0.00 34.83 33.84 2zqs s MET 146 CO 0.22 0.59 1.25 -1.54 1.05 0.00 0.00 175.02 176.59 2zqs s SER 147 N -0.99 3.75 0.03 1.11 1.04 0.16 -4.82 113.70 113.98 2zqs s SER 147 Ca 0.13 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2zqs s SER 147 Cb -0.11 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.30 2zqs s SER 147 CO 0.02 -2.35 0.00 0.61 0.98 0.00 0.00 173.24 172.50 2zqs n GLY 148 N -3.54 1.35 3.71 7.32 0.00 0.57 -4.56 105.19 110.03 2zqs n GLY 148 Ca 0.12 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2zqs n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2zqs s PRO 149 N 1.75 4.28 -0.17 1.61 0.02 -1.26 -4.58 135.00 136.64 2zqs s PRO 149 Ca 0.00 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.17 2zqs s PRO 149 Cb 0.00 -3.37 0.02 0.00 0.02 0.00 0.00 34.50 31.17 2zqs s PRO 149 CO 0.00 -0.54 -0.19 0.08 -0.33 0.00 0.00 177.00 176.01 2zqs s VAL 150 N 1.67 2.16 -0.16 3.83 1.01 -0.50 -4.73 120.40 123.68 2zqs s VAL 150 Ca 0.67 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 2zqs s VAL 150 Cb -0.37 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2zqs s VAL 150 CO 0.30 0.53 0.32 -0.36 0.00 0.00 0.00 175.10 175.90 2zqs s PHE 151 N 1.19 3.46 0.35 5.22 0.40 -1.26 -0.42 117.98 126.93 2zqs s PHE 151 Ca 0.02 0.64 0.07 0.00 -0.60 0.00 0.00 56.93 57.06 2zqs s PHE 151 Cb -0.14 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 2zqs s PHE 151 CO -0.10 0.21 0.26 0.95 0.70 0.00 0.00 175.22 177.25 2zqs s THR 152 N 0.54 0.08 0.41 0.64 -4.23 -0.22 -4.77 115.64 108.10 2zqs s THR 152 Ca 0.18 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.92 2zqs s THR 152 Cb -0.13 -2.46 0.25 0.00 1.34 0.00 0.00 72.50 71.50 2zqs s THR 152 CO 0.05 0.00 2.03 0.44 -0.54 0.00 0.00 174.62 176.60 2zqs h ASP 153 N 2.04 0.00 0.31 3.99 3.32 -1.98 -2.59 116.42 121.52 2zqs h ASP 153 Ca -0.26 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.64 2zqs h ASP 153 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2zqs h ASP 153 CO 0.38 0.15 -0.59 0.28 -1.72 0.00 0.00 179.24 177.74 2zqs h SER 154 N 0.00 0.32 0.00 6.45 0.02 -1.95 -0.98 113.55 117.41 2zqs h SER 154 Ca -0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2zqs h SER 154 Cb 0.36 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2zqs h SER 154 CO 0.02 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 2zqs n GLY 155 N 0.26 -0.15 3.29 -3.77 0.00 -0.98 -4.56 105.19 99.28 2zqs n GLY 155 Ca -0.03 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 2zqs n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zqs s ILE 156 N -4.00 2.58 0.30 -0.61 1.01 -0.75 -1.05 121.20 118.67 2zqs s ILE 156 Ca 0.00 -0.83 0.11 0.00 0.00 0.00 0.00 60.65 59.93 2zqs s ILE 156 Cb 0.00 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2zqs s ILE 156 CO 0.00 0.54 -0.13 -1.00 0.00 0.00 0.00 174.94 174.35 2zqs s HIS 157 N 0.39 2.39 -0.13 3.97 3.76 0.45 -1.09 115.29 125.03 2zqs s HIS 157 Ca -0.14 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 2zqs s HIS 157 Cb -0.17 -1.15 0.01 0.00 1.11 0.00 0.00 32.58 32.39 2zqs s HIS 157 CO 0.07 0.65 -0.18 0.42 -0.85 0.00 0.00 174.74 174.85 2zqs s ILE 158 N -2.51 1.76 -0.05 0.60 1.01 -0.46 -1.41 121.20 120.15 2zqs s ILE 158 Ca 0.31 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 60.22 2zqs s ILE 158 Cb -0.03 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 2zqs s ILE 158 CO 0.16 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.79 2zqs s ILE 159 N 1.03 2.78 -0.17 2.92 1.01 -1.26 -1.00 121.20 126.52 2zqs s ILE 159 Ca -0.04 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2zqs s ILE 159 Cb -0.15 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.29 2zqs s ILE 159 CO -0.04 0.58 -0.12 -0.22 0.00 0.00 0.00 174.94 175.14 2zqs s LEU 160 N -0.60 1.87 -0.10 2.97 2.96 -0.48 0.36 118.68 125.66 2zqs s LEU 160 Ca 0.09 -0.63 -0.26 0.00 -0.22 0.00 0.00 54.13 53.10 2zqs s LEU 160 Cb -0.11 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 2zqs s LEU 160 CO 0.01 -0.10 0.85 -0.60 -1.32 0.00 0.00 176.35 175.19 2zqs s ARG 161 N 1.47 4.40 -0.01 1.98 3.52 -0.75 -0.86 118.95 128.71 2zqs s ARG 161 Ca 0.02 1.11 0.13 0.00 -0.13 0.00 0.00 55.73 56.86 2zqs s ARG 161 Cb -0.14 -3.51 -0.17 0.00 -1.56 0.00 0.00 34.95 29.56 2zqs s ARG 161 CO -0.10 -0.17 0.39 0.25 -0.81 0.00 0.00 175.30 174.87 2zqs n THR 162 N 4.29 0.00 -1.55 4.11 -2.24 0.74 -1.00 114.28 118.63 2zqs n THR 162 Ca 0.04 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2zqs n THR 162 Cb 0.50 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 2zqs n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88