#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaq s ASN 1 N 0.00 6.18 0.15 0.00 -0.87 -1.26 -5.01 114.94 114.12 3gaq s ASN 1 Ca 0.00 -1.68 -0.25 0.00 -1.57 0.00 0.00 52.86 49.37 3gaq s ASN 1 Cb 0.00 -2.20 0.06 0.00 -0.02 0.00 0.00 41.25 39.09 3gaq s ASN 1 CO 0.00 -0.81 0.82 0.00 -2.57 0.00 0.00 177.10 174.55 3gaq s GLN 2 N 1.61 1.27 0.43 -0.60 -2.07 -1.26 -5.09 119.66 113.94 3gaq s GLN 2 Ca 0.03 -0.62 -0.17 0.00 -1.82 0.00 0.00 55.36 52.78 3gaq s GLN 2 Cb -0.29 0.48 -0.09 0.00 -1.09 0.00 0.00 33.01 32.03 3gaq s GLN 2 CO 0.04 -0.57 0.89 -2.14 -1.32 0.00 0.00 175.29 172.18 3gaq s PRO 3 N -3.48 4.02 0.56 9.60 0.02 -1.26 -4.94 135.00 139.53 3gaq s PRO 3 Ca 0.08 0.87 0.29 0.00 0.02 0.00 0.00 61.00 62.26 3gaq s PRO 3 Cb -0.02 -2.25 1.47 0.00 0.02 0.00 0.00 34.50 33.71 3gaq s PRO 3 CO -0.02 -0.06 1.93 -0.44 -0.33 0.00 0.00 177.00 178.08 3gaq h ASP 4 N 1.58 0.00 1.91 2.53 5.19 -2.02 -0.07 116.42 125.53 3gaq h ASP 4 Ca -0.48 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 3gaq h ASP 4 Cb 1.18 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 3gaq h ASP 4 CO 0.63 0.00 -0.04 4.11 -3.12 0.00 0.00 179.24 180.81 3gaq h TRP 5 N 0.00 0.00 -0.51 4.55 5.08 -1.98 -3.39 115.95 119.71 3gaq h TRP 5 Ca 0.27 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.84 3gaq h TRP 5 Cb 1.22 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.34 3gaq h TRP 5 CO 0.00 0.04 1.29 0.00 -1.28 0.00 0.00 178.44 178.49 3gaq n ALA 6 N -2.11 2.14 -3.45 0.11 0.00 -0.04 -4.71 120.51 112.44 3gaq n ALA 6 Ca 0.04 -3.16 -0.28 0.00 0.00 0.00 0.00 53.44 50.04 3gaq n ALA 6 Cb 0.54 -3.50 -0.12 0.00 0.00 0.00 0.00 19.45 16.37 3gaq n ALA 6 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gaq s ASP 7 N 6.07 2.85 0.26 0.00 -1.08 -1.26 -4.91 116.67 118.61 3gaq s ASP 7 Ca 0.66 -2.14 -0.03 0.00 -0.52 0.00 0.00 52.55 50.52 3gaq s ASP 7 Cb 0.01 -0.33 0.39 0.00 -1.46 0.00 0.00 42.92 41.53 3gaq s ASP 7 CO 0.13 -0.31 1.88 -0.08 0.52 0.00 0.00 175.17 177.31 3gaq h GLU 8 N 7.03 1.15 0.51 4.34 4.81 -1.93 0.24 114.58 130.73 3gaq h GLU 8 Ca 0.06 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3gaq h GLU 8 Cb 0.98 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 30.10 3gaq h GLU 8 CO 0.26 0.76 -0.25 0.00 -0.73 0.00 0.00 179.01 179.05 3gaq h ALA 9 N 1.45 -0.69 0.00 2.92 0.00 -1.98 -0.66 119.26 120.29 3gaq h ALA 9 Ca 0.43 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3gaq h ALA 9 Cb 0.14 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gaq h ALA 9 CO -0.17 -0.85 -0.40 0.00 0.00 0.00 0.00 179.25 177.83 3gaq h ALA 10 N -0.29 0.94 0.00 0.00 0.00 -1.91 -3.39 119.26 114.61 3gaq h ALA 10 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3gaq h ALA 10 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gaq h ALA 10 CO 0.12 0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.95 3gaq n ASN 11 N -3.49 0.59 0.12 0.00 5.03 0.80 -4.87 115.26 113.45 3gaq n ASN 11 Ca 0.00 -1.10 -0.00 0.00 0.87 0.00 0.00 54.58 54.35 3gaq n ASN 11 Cb 0.54 0.00 0.28 0.00 -1.02 0.00 0.00 39.78 39.59 3gaq n ASN 11 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3gaq h GLY 12 N 0.00 0.19 1.02 7.41 0.00 -1.23 -2.01 103.07 108.45 3gaq h GLY 12 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 47.33 47.30 3gaq h GLY 12 CO 0.00 0.15 0.36 0.00 0.00 0.00 0.00 176.54 177.05 3gaq h ALA 13 N 1.49 2.34 -0.44 3.60 0.00 -1.89 -1.42 119.26 122.93 3gaq h ALA 13 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3gaq h ALA 13 Cb 0.70 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3gaq h ALA 13 CO 0.05 -0.48 0.06 0.72 0.00 0.00 0.00 179.25 179.60 3gaq n HIS 14 N -4.42 1.54 -2.62 0.00 8.25 -0.76 -4.55 115.22 112.67 3gaq n HIS 14 Ca 0.09 -1.01 -0.12 0.00 -0.26 0.00 0.00 57.72 56.42 3gaq n HIS 14 Cb 0.52 -0.46 0.03 0.00 1.12 0.00 0.00 29.99 31.19 3gaq n HIS 14 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3gaq n GLN 15 N -0.28 1.84 -2.94 -0.41 6.02 -0.54 -0.71 117.38 120.36 3gaq n GLN 15 Ca 0.29 -3.60 -0.44 0.00 -0.01 0.00 0.00 57.00 53.24 3gaq n GLN 15 Cb 1.09 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 30.76 3gaq n GLN 15 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3gaq s ASP 16 N -3.35 6.56 0.27 1.08 -1.08 -1.25 -4.21 116.67 114.69 3gaq s ASP 16 Ca 0.33 -1.92 0.00 0.00 -0.52 0.00 0.00 52.55 50.43 3gaq s ASP 16 Cb 0.42 -2.39 0.38 0.00 -1.46 0.00 0.00 42.92 39.87 3gaq s ASP 16 CO -0.02 -1.09 1.75 0.00 0.52 0.00 0.00 175.17 176.33 3gaq h ALA 17 N 8.90 1.12 -0.15 3.66 0.00 -1.78 -2.40 119.26 128.60 3gaq h ALA 17 Ca 0.09 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3gaq h ALA 17 Cb 1.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3gaq h ALA 17 CO 1.10 0.55 -0.51 2.35 0.00 0.00 0.00 179.25 182.75 3gaq h TRP 18 N 0.60 0.51 -0.41 0.00 -0.00 -1.90 0.22 115.95 114.96 3gaq h TRP 18 Ca 0.11 -0.17 -0.13 0.00 -0.00 0.00 0.00 58.89 58.70 3gaq h TRP 18 Cb 0.53 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.58 3gaq h TRP 18 CO 0.02 0.83 -0.25 -0.22 -0.00 0.00 0.00 178.44 178.83 3gaq h LYS 19 N 0.32 0.84 -0.48 2.65 3.64 -1.93 -2.51 116.57 119.11 3gaq h LYS 19 Ca 0.01 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 3gaq h LYS 19 Cb 1.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3gaq h LYS 19 CO 0.09 1.00 0.28 1.03 -2.27 0.00 0.00 179.45 179.58 3gaq h SER 20 N 0.73 0.59 0.10 4.20 0.87 -1.17 -1.87 113.55 117.00 3gaq h SER 20 Ca 0.09 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3gaq h SER 20 Cb 0.78 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3gaq h SER 20 CO 0.06 0.49 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.73 3gaq h LEU 21 N 0.64 -0.11 -1.89 2.23 3.38 -0.86 -2.60 115.31 116.10 3gaq h LEU 21 Ca 0.17 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3gaq h LEU 21 Cb 0.01 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gaq h LEU 21 CO -0.03 -0.07 -0.13 0.11 0.09 0.00 0.00 178.44 178.41 3gaq h LYS 22 N -0.15 0.00 0.00 1.13 1.57 -1.44 -2.03 116.57 115.65 3gaq h LYS 22 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3gaq h LYS 22 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3gaq h LYS 22 CO 0.02 0.13 -0.14 0.00 -0.57 0.00 0.00 179.45 178.89 3gaq h ALA 23 N 1.87 1.35 0.00 3.86 0.00 -0.93 -2.65 119.26 122.76 3gaq h ALA 23 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gaq h ALA 23 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gaq h ALA 23 CO 0.02 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.98 3gaq n ARG 24 N -3.76 0.04 0.01 0.00 1.74 -0.76 -2.63 116.66 111.30 3gaq n ARG 24 Ca -0.02 0.11 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 3gaq n ARG 24 Cb 0.24 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.32 3gaq n ARG 24 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3gaq n VAL 25 N -1.48 0.06 -0.11 1.55 0.24 -1.00 -1.62 118.33 115.97 3gaq n VAL 25 Ca 0.06 -0.06 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 3gaq n VAL 25 Cb 0.25 0.35 -0.14 0.00 -1.47 0.00 0.00 33.84 32.83 3gaq n VAL 25 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gaq n GLU 26 N -1.63 0.68 -4.21 7.34 4.71 -1.08 -4.76 120.64 121.70 3gaq n GLU 26 Ca 0.04 0.07 -0.16 0.00 -0.01 0.00 0.00 57.16 57.10 3gaq n GLU 26 Cb 0.36 -1.51 -0.13 0.00 -1.01 0.00 0.00 31.44 29.14 3gaq n GLU 26 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 3gaq s ASN 27 N -5.98 0.95 0.27 1.62 0.01 -1.08 -5.13 114.94 105.59 3gaq s ASN 27 Ca -0.22 -0.29 -0.29 0.00 -0.71 0.00 0.00 52.86 51.34 3gaq s ASN 27 Cb 0.07 -0.06 -0.10 0.00 0.41 0.00 0.00 41.25 41.58 3gaq s ASN 27 CO 0.71 -0.00 1.30 -0.69 -1.51 0.00 0.00 177.10 176.90 3gaq s VAL 28 N -0.60 2.98 -0.06 1.60 1.01 -1.26 -4.29 120.40 119.77 3gaq s VAL 28 Ca -0.01 0.89 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 3gaq s VAL 28 Cb -0.05 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3gaq s VAL 28 CO 0.00 0.17 0.00 -0.31 0.00 0.00 0.00 175.10 174.97 3gaq s TYR 29 N -0.53 3.14 0.05 5.22 1.51 -0.54 -4.38 117.35 121.83 3gaq s TYR 29 Ca 0.53 0.16 0.08 0.00 -1.01 0.00 0.00 57.07 56.83 3gaq s TYR 29 Cb -0.38 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 3gaq s TYR 29 CO 0.45 0.47 -0.22 0.71 -1.11 0.00 0.00 175.55 175.84 3gaq s TYR 30 N -0.94 2.44 -0.57 2.71 2.02 0.62 -0.47 117.35 123.17 3gaq s TYR 30 Ca 0.15 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.31 3gaq s TYR 30 Cb -0.11 -1.41 0.06 0.00 -0.40 0.00 0.00 41.96 40.10 3gaq s TYR 30 CO 0.04 0.22 0.80 1.41 -1.57 0.00 0.00 175.55 176.46 3gaq s MET 31 N -1.45 3.17 0.06 -0.62 -2.45 0.18 -0.90 119.30 117.29 3gaq s MET 31 Ca 0.14 -0.76 -0.15 0.00 -1.25 0.00 0.00 55.69 53.67 3gaq s MET 31 Cb -0.10 -4.14 -0.26 0.00 1.25 0.00 0.00 34.83 31.58 3gaq s MET 31 CO 0.04 -1.48 1.15 -0.39 1.05 0.00 0.00 175.02 175.39 3gaq h VAL 32 N 5.94 1.29 -4.19 10.11 -1.51 -1.33 0.13 116.25 126.69 3gaq h VAL 32 Ca -0.28 -2.33 -0.12 0.00 -1.23 0.00 0.00 66.70 62.75 3gaq h VAL 32 Cb 1.08 2.53 -0.15 0.00 -2.13 0.00 0.00 31.29 32.61 3gaq h VAL 32 CO 1.07 0.71 -0.66 -0.54 -1.23 0.00 0.00 177.57 176.92 3gaq s LYS 33 N -3.17 0.60 0.29 5.19 1.02 -1.22 0.15 119.74 122.61 3gaq s LYS 33 Ca -0.10 -1.15 -0.11 0.00 0.02 0.00 0.00 55.97 54.63 3gaq s LYS 33 Cb 0.06 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.59 3gaq s LYS 33 CO 0.92 -0.11 0.54 0.00 -0.92 0.00 0.00 175.35 175.77 3gaq s ALA 34 N -3.69 -0.12 -0.26 5.17 0.00 -0.93 -1.31 121.76 120.63 3gaq s ALA 34 Ca 0.05 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.06 3gaq s ALA 34 Cb 0.06 1.02 0.10 0.00 0.00 0.00 0.00 23.12 24.31 3gaq s ALA 34 CO -0.09 -0.87 1.08 0.25 0.00 0.00 0.00 175.76 176.13 3gaq n THR 35 N -0.45 1.06 -4.15 0.00 -2.24 -0.77 -1.24 114.28 106.49 3gaq n THR 35 Ca -0.02 -1.07 -0.10 0.00 -2.27 0.00 0.00 64.05 60.59 3gaq n THR 35 Cb 0.61 0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 3gaq n THR 35 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3gaq s TYR 36 N -1.11 0.88 -0.15 4.78 1.13 -1.26 -4.73 117.35 116.89 3gaq s TYR 36 Ca 0.08 -1.23 0.14 0.00 -1.41 0.00 0.00 57.07 54.66 3gaq s TYR 36 Cb 0.05 -0.46 -0.20 0.00 -1.10 0.00 0.00 41.96 40.25 3gaq s TYR 36 CO 0.04 -0.56 0.06 1.63 -2.51 0.00 0.00 175.55 174.22 3gaq n LYS 37 N -0.13 1.40 -4.61 -3.49 5.02 -1.26 -4.95 118.16 110.13 3gaq n LYS 37 Ca -0.04 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 3gaq n LYS 37 Cb 0.64 -1.41 -0.17 0.00 -0.02 0.00 0.00 35.03 34.08 3gaq n LYS 37 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3gaq s ASN 38 N -4.93 2.52 0.02 4.39 0.01 -1.26 -1.33 114.94 114.36 3gaq s ASN 38 Ca -0.08 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 51.66 3gaq s ASN 38 Cb 0.05 -1.14 -0.02 0.00 0.41 0.00 0.00 41.25 40.55 3gaq s ASN 38 CO 0.65 0.05 -0.12 -0.62 -1.51 0.00 0.00 177.10 175.55 3gaq s ASP 39 N 0.83 1.40 0.57 -1.22 2.15 -0.15 -4.41 116.67 115.83 3gaq s ASP 39 Ca -0.09 -0.37 0.35 0.00 0.43 0.00 0.00 52.55 52.86 3gaq s ASP 39 Cb -0.16 -0.10 1.61 0.00 -0.30 0.00 0.00 42.92 43.98 3gaq s ASP 39 CO 0.01 0.03 2.08 1.55 -0.17 0.00 0.00 175.17 178.67 3gaq h PRO 40 N 5.20 0.00 0.01 4.34 0.13 -2.00 -0.91 132.00 138.77 3gaq h PRO 40 Ca -0.35 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.36 3gaq h PRO 40 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3gaq h PRO 40 CO 0.45 0.03 -2.42 0.28 -0.23 0.00 0.00 178.00 176.11 3gaq n VAL 41 N -3.18 1.53 0.05 1.56 0.31 -1.26 -4.58 118.33 112.76 3gaq n VAL 41 Ca -0.01 -0.46 -0.08 0.00 -0.01 0.00 0.00 64.34 63.78 3gaq n VAL 41 Cb 0.25 -1.68 -0.12 0.00 -0.91 0.00 0.00 33.84 31.38 3gaq n VAL 41 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3gaq h TRP 42 N -0.51 0.03 0.00 3.52 -0.00 -1.97 -3.50 115.95 113.53 3gaq h TRP 42 Ca -0.62 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.25 3gaq h TRP 42 Cb 1.75 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.91 3gaq h TRP 42 CO -0.02 1.02 0.00 0.41 -0.00 0.00 0.00 178.44 179.85 3gaq n GLY 43 N 1.38 0.95 3.77 1.49 0.00 -0.35 -4.68 105.19 107.76 3gaq n GLY 43 Ca -0.02 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.33 3gaq n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gaq s ASN 44 N 0.00 7.11 -1.16 1.61 0.01 -1.26 -0.98 114.94 120.27 3gaq s ASN 44 Ca 0.00 2.01 -0.30 0.00 -0.71 0.00 0.00 52.86 53.86 3gaq s ASN 44 Cb 0.00 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 39.10 3gaq s ASN 44 CO 0.00 -0.24 0.69 -0.67 -1.51 0.00 0.00 177.10 175.37 3gaq n ASP 45 N 0.49 -4.40 -4.83 -1.22 2.03 -0.44 -2.35 116.55 105.83 3gaq n ASP 45 Ca 0.02 -1.23 -0.34 0.00 0.52 0.00 0.00 54.79 53.77 3gaq n ASP 45 Cb 0.49 -1.91 -0.06 0.00 -0.72 0.00 0.00 41.12 38.91 3gaq n ASP 45 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3gaq s PHE 46 N -3.46 3.45 0.27 -0.67 -0.12 -1.13 -4.20 117.98 112.11 3gaq s PHE 46 Ca 0.44 1.40 -0.08 0.00 -0.05 0.00 0.00 56.93 58.64 3gaq s PHE 46 Cb -0.23 -2.67 -0.01 0.00 -0.63 0.00 0.00 43.02 39.48 3gaq s PHE 46 CO 0.95 0.11 0.42 0.95 -0.05 0.00 0.00 175.22 177.60 3gaq s THR 47 N -1.90 0.00 -1.43 -4.49 -4.23 -0.28 -4.93 115.64 98.38 3gaq s THR 47 Ca 0.53 -1.55 -0.06 0.00 -1.18 0.00 0.00 61.69 59.43 3gaq s THR 47 Cb -0.12 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.37 3gaq s THR 47 CO 0.18 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.77 3gaq s VAL 49 N -3.05 4.92 0.22 0.00 1.01 -1.26 -3.15 120.40 119.10 3gaq s VAL 49 Ca 0.31 1.74 -0.10 0.00 0.00 0.00 0.00 61.98 63.92 3gaq s VAL 49 Cb -0.15 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 3gaq s VAL 49 CO 0.39 0.14 0.39 -0.83 0.00 0.00 0.00 175.10 175.18 3gaq s GLY 50 N 0.98 0.66 -0.05 4.51 0.00 -0.59 -0.65 107.32 112.20 3gaq s GLY 50 Ca 0.43 -1.00 -0.24 0.00 0.00 0.00 0.00 44.72 43.92 3gaq s GLY 50 CO 0.19 -0.78 0.52 0.54 0.00 0.00 0.00 173.10 173.57 3gaq s VAL 51 N -4.03 0.02 0.03 1.40 0.11 0.38 -1.85 120.40 116.45 3gaq s VAL 51 Ca 0.24 -0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3gaq s VAL 51 Cb 0.01 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 3gaq s VAL 51 CO 0.08 -0.11 0.01 0.00 -3.33 0.00 0.00 175.10 171.75 3gaq s MET 52 N -1.15 0.45 0.24 1.54 0.23 -0.61 -1.47 119.30 118.52 3gaq s MET 52 Ca -0.11 -0.74 0.04 0.00 -1.03 0.00 0.00 55.69 53.85 3gaq s MET 52 Cb -0.02 0.16 -0.05 0.00 -1.53 0.00 0.00 34.83 33.39 3gaq s MET 52 CO 0.07 -0.09 -0.02 0.00 -2.03 0.00 0.00 175.02 172.95 3gaq s ALA 53 N -2.19 1.92 0.24 3.16 0.00 -0.64 0.14 121.76 124.39 3gaq s ALA 53 Ca -0.09 -1.79 -0.08 0.00 0.00 0.00 0.00 51.96 50.00 3gaq s ALA 53 Cb -0.04 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.52 3gaq s ALA 53 CO -0.03 -0.20 0.47 0.27 0.00 0.00 0.00 175.76 176.26 3gaq n ASN 54 N -0.45 -1.35 -3.54 0.00 0.23 -0.97 -4.21 115.26 104.97 3gaq n ASN 54 Ca -0.05 -2.03 -0.20 0.00 -0.53 0.00 0.00 54.58 51.77 3gaq n ASN 54 Cb 0.64 2.27 0.07 0.00 -2.08 0.00 0.00 39.78 40.68 3gaq n ASN 54 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3gaq n ASP 55 N -1.41 -2.69 -4.61 0.53 2.03 -1.26 -2.01 116.55 107.13 3gaq n ASP 55 Ca -0.05 -0.66 -0.43 0.00 0.52 0.00 0.00 54.79 54.18 3gaq n ASP 55 Cb 0.37 -4.83 -0.03 0.00 -0.72 0.00 0.00 41.12 35.91 3gaq n ASP 55 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3gaq s VAL 56 N -3.42 3.45 -0.40 5.18 1.01 -1.26 -4.07 120.40 120.90 3gaq s VAL 56 Ca 0.13 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 3gaq s VAL 56 Cb -0.06 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.77 3gaq s VAL 56 CO 0.75 -0.33 0.42 0.21 0.00 0.00 0.00 175.10 176.15 3gaq s ASN 57 N 5.89 6.19 0.09 3.32 3.84 -0.64 -4.96 114.94 128.67 3gaq s ASN 57 Ca 0.81 -0.57 -0.17 0.00 0.21 0.00 0.00 52.86 53.13 3gaq s ASN 57 Cb -0.25 -2.22 -0.08 0.00 -0.55 0.00 0.00 41.25 38.16 3gaq s ASN 57 CO 0.33 -0.52 1.48 -0.33 -2.79 0.00 0.00 177.10 175.27 3gaq h GLU 58 N 8.66 0.54 0.08 0.43 4.39 -1.93 -0.49 114.58 126.26 3gaq h GLU 58 Ca -0.27 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.24 3gaq h GLU 58 Cb 1.12 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 3gaq h GLU 58 CO 0.77 0.76 -0.22 -0.44 -1.16 0.00 0.00 179.01 178.71 3gaq h ASP 59 N 0.29 -0.64 1.16 1.42 3.32 -1.97 -2.56 116.42 117.45 3gaq h ASP 59 Ca 0.07 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3gaq h ASP 59 Cb 0.57 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3gaq h ASP 59 CO 0.03 -0.30 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.49 3gaq h GLU 60 N -0.40 0.00 -4.60 3.56 5.08 -2.00 -3.47 114.58 112.75 3gaq h GLU 60 Ca 0.04 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.16 3gaq h GLU 60 Cb 0.44 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.81 3gaq h GLU 60 CO -0.15 0.43 -0.54 1.63 -1.00 0.00 0.00 179.01 179.37 3gaq n LYS 61 N -3.36 -4.84 -4.29 2.33 5.02 -0.23 -4.73 118.16 108.06 3gaq n LYS 61 Ca 0.01 0.61 -0.15 0.00 -2.02 0.00 0.00 58.31 56.75 3gaq n LYS 61 Cb 0.61 -4.91 -0.10 0.00 -0.02 0.00 0.00 35.03 30.61 3gaq n LYS 61 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gaq s SER 62 N -3.90 1.42 0.11 4.39 1.04 -0.98 -0.65 113.70 115.13 3gaq s SER 62 Ca 0.04 -1.23 -0.05 0.00 0.48 0.00 0.00 55.95 55.19 3gaq s SER 62 Cb -0.02 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 3gaq s SER 62 CO 0.52 -0.58 0.12 0.27 0.98 0.00 0.00 173.24 174.55 3gaq s ILE 63 N -3.60 0.14 -0.31 -1.02 -5.25 -0.26 -1.62 121.20 109.28 3gaq s ILE 63 Ca 0.28 -1.58 -0.16 0.00 -0.99 0.00 0.00 60.65 58.20 3gaq s ILE 63 Cb 0.06 -1.68 -0.02 0.00 2.95 0.00 0.00 42.46 43.77 3gaq s ILE 63 CO 0.08 -0.62 0.44 -1.10 -1.79 0.00 0.00 174.94 171.95 3gaq s GLN 64 N -3.95 3.82 -0.13 0.37 -1.52 -0.85 -1.42 119.66 115.97 3gaq s GLN 64 Ca 0.13 -0.06 -0.07 0.00 -1.95 0.00 0.00 55.36 53.40 3gaq s GLN 64 Cb 0.06 -3.73 -0.04 0.00 -0.22 0.00 0.00 33.01 29.08 3gaq s GLN 64 CO -0.05 -0.45 0.13 0.00 -0.25 0.00 0.00 175.29 174.67 3gaq s ALA 65 N 2.20 3.82 -0.21 6.09 0.00 0.10 -2.30 121.76 131.46 3gaq s ALA 65 Ca 0.16 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 3gaq s ALA 65 Cb -0.16 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 20.99 3gaq s ALA 65 CO 0.11 0.53 -0.14 -1.21 0.00 0.00 0.00 175.76 175.06 3gaq s GLU 66 N -0.76 2.98 0.12 0.00 2.02 0.12 -1.20 118.70 121.98 3gaq s GLU 66 Ca 0.14 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.31 3gaq s GLU 66 Cb -0.12 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 3gaq s GLU 66 CO 0.03 -0.27 0.06 -0.06 0.02 0.00 0.00 175.26 175.04 3gaq s PHE 67 N 1.32 3.08 0.19 1.61 0.40 0.53 -1.58 117.98 123.54 3gaq s PHE 67 Ca 0.03 -0.00 0.11 0.00 -0.60 0.00 0.00 56.93 56.47 3gaq s PHE 67 Cb -0.14 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 3gaq s PHE 67 CO -0.09 0.51 -0.21 -0.48 0.70 0.00 0.00 175.22 175.65 3gaq s LEU 68 N -2.63 2.54 -0.25 -0.37 2.34 -0.77 -2.76 118.68 116.77 3gaq s LEU 68 Ca 0.28 -0.82 -0.35 0.00 0.06 0.00 0.00 54.13 53.30 3gaq s LEU 68 Cb -0.11 -1.26 0.16 0.00 -0.56 0.00 0.00 46.19 44.42 3gaq s LEU 68 CO 0.21 0.11 1.31 0.72 -1.06 0.00 0.00 176.35 177.64 3gaq s PHE 69 N -1.71 -0.07 -0.02 3.48 -0.71 -0.91 -1.54 117.98 116.50 3gaq s PHE 69 Ca 0.22 0.06 0.04 0.00 -1.04 0.00 0.00 56.93 56.21 3gaq s PHE 69 Cb -0.08 0.50 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 3gaq s PHE 69 CO 0.11 -0.09 -0.14 -1.64 -1.34 0.00 0.00 175.22 172.12 3gaq s MET 70 N -1.91 1.17 0.33 1.99 -1.94 -0.38 -0.38 119.30 118.18 3gaq s MET 70 Ca 0.10 -0.48 -0.12 0.00 -1.71 0.00 0.00 55.69 53.48 3gaq s MET 70 Cb -0.01 -1.11 0.02 0.00 2.01 0.00 0.00 34.83 35.74 3gaq s MET 70 CO -0.04 0.27 0.62 0.54 -0.01 0.00 0.00 175.02 176.40 3gaq s ASN 71 N -0.23 0.23 0.00 3.03 2.20 -1.26 -1.12 114.94 117.80 3gaq s ASN 71 Ca 0.03 -1.14 0.09 0.00 -0.94 0.00 0.00 52.86 50.90 3gaq s ASN 71 Cb -0.06 0.73 0.47 0.00 -2.00 0.00 0.00 41.25 40.38 3gaq s ASN 71 CO -0.00 -1.42 1.15 -0.46 -2.94 0.00 0.00 177.10 173.42 3gaq n ASN 72 N -1.09 0.00 0.25 3.54 6.94 -0.99 -2.05 115.26 121.86 3gaq n ASN 72 Ca -0.04 0.10 0.15 0.00 -0.02 0.00 0.00 54.58 54.78 3gaq n ASN 72 Cb 0.61 -0.25 0.51 0.00 -2.36 0.00 0.00 39.78 38.28 3gaq n ASN 72 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gaq h ALA 73 N 2.45 1.00 -2.13 -2.53 0.00 -1.96 -3.46 119.26 112.63 3gaq h ALA 73 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gaq h ALA 73 Cb 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.68 3gaq h ALA 73 CO 0.00 0.00 0.13 0.34 0.00 0.00 0.00 179.25 179.72 3gaq s ASP 74 N -5.80 -0.59 0.32 0.00 -1.08 -0.87 -5.05 116.67 103.60 3gaq s ASP 74 Ca 0.03 0.59 0.17 0.00 -0.52 0.00 0.00 52.55 52.82 3gaq s ASP 74 Cb 0.08 0.52 0.15 0.00 -1.46 0.00 0.00 42.92 42.20 3gaq s ASP 74 CO 0.58 -0.62 1.49 0.00 0.52 0.00 0.00 175.17 177.15 3gaq h THR 75 N 3.03 0.64 -1.72 1.71 1.03 -1.89 -3.39 112.91 112.32 3gaq h THR 75 Ca -0.28 -1.90 -0.48 0.00 -0.01 0.00 0.00 66.41 63.75 3gaq h THR 75 Cb 1.16 2.31 -0.02 0.00 -1.07 0.00 0.00 68.15 70.52 3gaq h THR 75 CO 0.39 0.36 -0.39 0.20 -0.01 0.00 0.00 175.52 176.07 3gaq s ASN 76 N -6.39 5.40 0.19 0.00 0.01 -1.26 -5.05 114.94 107.84 3gaq s ASN 76 Ca 0.05 -0.49 -0.32 0.00 -0.71 0.00 0.00 52.86 51.39 3gaq s ASN 76 Cb 0.07 -0.90 -0.12 0.00 0.41 0.00 0.00 41.25 40.71 3gaq s ASN 76 CO 0.72 -0.48 1.76 0.80 -1.51 0.00 0.00 177.10 178.39 3gaq n MET 77 N -1.51 2.81 -3.84 -0.60 0.00 -1.26 -4.81 117.12 107.91 3gaq n MET 77 Ca 0.01 1.02 -0.21 0.00 -0.00 0.00 0.00 57.70 58.52 3gaq n MET 77 Cb 0.60 -2.88 -0.02 0.00 0.00 0.00 0.00 33.22 30.92 3gaq n MET 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3gaq s GLN 78 N 1.57 3.28 0.03 2.12 -0.21 0.48 -4.95 119.66 121.99 3gaq s GLN 78 Ca 0.77 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 55.29 3gaq s GLN 78 Cb -0.49 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 30.67 3gaq s GLN 78 CO 0.33 0.32 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.70 3gaq s PHE 79 N -2.06 0.50 -0.13 0.91 0.40 -1.26 -2.15 117.98 114.19 3gaq s PHE 79 Ca 0.37 -0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 55.88 3gaq s PHE 79 Cb -0.09 -0.32 0.12 0.00 0.51 0.00 0.00 43.02 43.24 3gaq s PHE 79 CO 0.29 -0.13 0.94 0.00 0.70 0.00 0.00 175.22 177.02 3gaq s ALA 80 N -1.45 -1.90 -0.16 5.36 0.00 -1.11 -5.00 121.76 117.50 3gaq s ALA 80 Ca -0.12 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.35 3gaq s ALA 80 Cb -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.52 3gaq s ALA 80 CO -0.00 -0.34 -0.16 0.99 0.00 0.00 0.00 175.76 176.24 3gaq s THR 81 N -1.24 1.75 0.18 0.00 2.01 -1.26 -0.35 115.64 116.73 3gaq s THR 81 Ca -0.03 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.25 3gaq s THR 81 Cb -0.00 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 3gaq s THR 81 CO 0.02 0.49 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.82 3gaq s GLU 82 N 1.40 1.16 0.10 4.92 2.02 -0.34 -4.92 118.70 123.03 3gaq s GLU 82 Ca 0.05 -1.56 -0.21 0.00 0.02 0.00 0.00 54.97 53.26 3gaq s GLU 82 Cb -0.13 -0.40 -0.07 0.00 0.10 0.00 0.00 34.13 33.63 3gaq s GLU 82 CO -0.11 -0.10 0.64 0.21 0.02 0.00 0.00 175.26 175.92 3gaq s LYS 83 N -3.88 4.33 -0.04 1.61 2.20 -1.10 0.00 119.74 122.87 3gaq s LYS 83 Ca 0.24 0.88 0.03 0.00 -0.36 0.00 0.00 55.97 56.76 3gaq s LYS 83 Cb 0.05 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 3gaq s LYS 83 CO 0.05 0.60 -0.12 0.08 -0.36 0.00 0.00 175.35 175.59 3gaq s VAL 84 N -1.07 1.09 -0.07 4.02 1.01 -0.51 -1.07 120.40 123.81 3gaq s VAL 84 Ca 0.31 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3gaq s VAL 84 Cb -0.21 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3gaq s VAL 84 CO 0.21 0.33 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 3gaq s THR 85 N 0.32 1.64 -0.29 3.92 2.01 -0.58 -1.10 115.64 121.55 3gaq s THR 85 Ca -0.07 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 3gaq s THR 85 Cb -0.12 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 3gaq s THR 85 CO 0.02 0.47 1.40 0.00 -0.69 0.00 0.00 174.62 175.82 3gaq s ALA 86 N 0.25 3.30 0.42 7.40 0.00 0.18 -0.97 121.76 132.34 3gaq s ALA 86 Ca -0.11 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.05 3gaq s ALA 86 Cb -0.15 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 3gaq s ALA 86 CO 0.05 -1.89 0.06 0.14 0.00 0.00 0.00 175.76 174.12 3gaq s VAL 87 N 4.73 1.07 -0.11 0.00 -7.23 -0.60 -4.92 120.40 113.34 3gaq s VAL 87 Ca 0.61 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 3gaq s VAL 87 Cb -0.18 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3gaq s VAL 87 CO 0.26 0.00 0.09 -0.54 -0.31 0.00 0.00 175.10 174.59 3gaq s LYS 88 N -3.80 3.30 0.03 4.82 1.02 -1.26 -0.68 119.74 123.17 3gaq s LYS 88 Ca 0.22 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.98 3gaq s LYS 88 Cb 0.04 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 3gaq s LYS 88 CO 0.12 0.73 -0.04 -1.64 -0.92 0.00 0.00 175.35 173.60 3gaq s MET 89 N -0.92 0.43 -1.21 1.68 -1.94 -1.26 -4.90 119.30 111.17 3gaq s MET 89 Ca 0.14 -0.78 -0.01 0.00 -1.71 0.00 0.00 55.69 53.33 3gaq s MET 89 Cb -0.12 0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.76 3gaq s MET 89 CO 0.03 -0.04 0.16 0.66 -0.01 0.00 0.00 175.02 175.82 3gaq n TYR 90 N 1.25 -0.95 -2.48 -0.03 4.01 -1.26 -3.37 117.16 114.32 3gaq n TYR 90 Ca -0.22 0.13 -0.07 0.00 -0.16 0.00 0.00 57.90 57.59 3gaq n TYR 90 Cb 0.56 -3.25 0.01 0.00 -0.31 0.00 0.00 39.34 36.35 3gaq n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gaq n GLY 91 N -1.12 0.28 3.84 2.72 0.00 -1.26 -4.99 105.19 104.66 3gaq n GLY 91 Ca -0.14 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3gaq n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gaq s TYR 92 N -2.71 3.52 0.05 1.61 1.51 -1.22 -5.00 117.35 115.11 3gaq s TYR 92 Ca 0.09 1.17 0.09 0.00 -1.01 0.00 0.00 57.07 57.41 3gaq s TYR 92 Cb -0.04 -2.47 -0.19 0.00 -0.11 0.00 0.00 41.96 39.15 3gaq s TYR 92 CO 0.11 0.27 1.13 -0.91 -1.11 0.00 0.00 175.55 175.05 3gaq h ASN 93 N 2.95 0.00 -3.53 2.29 2.35 -1.95 -3.45 115.58 114.24 3gaq h ASN 93 Ca -0.48 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.68 3gaq h ASN 93 Cb 1.18 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 39.23 3gaq h ASN 93 CO 0.66 0.95 -0.85 -0.60 -1.65 0.00 0.00 177.43 175.94 3gaq s ARG 94 N -2.71 2.26 0.17 0.81 3.52 -1.26 -5.08 118.95 116.66 3gaq s ARG 94 Ca -0.00 -0.65 -0.34 0.00 -0.13 0.00 0.00 55.73 54.61 3gaq s ARG 94 Cb 0.09 -1.81 -0.14 0.00 -1.56 0.00 0.00 34.95 31.53 3gaq s ARG 94 CO 0.81 0.15 1.50 0.39 -0.81 0.00 0.00 175.30 177.35 3gaq n GLU 95 N 3.52 1.97 -0.49 5.12 4.71 -1.26 -4.87 120.64 129.34 3gaq n GLU 95 Ca -0.20 0.71 0.05 0.00 -0.01 0.00 0.00 57.16 57.71 3gaq n GLU 95 Cb 0.52 -2.43 0.08 0.00 -1.01 0.00 0.00 31.44 28.60 3gaq n GLU 95 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 3gaq n ASN 96 N 3.01 1.17 -4.01 1.62 6.94 -0.80 -2.51 115.26 120.69 3gaq n ASN 96 Ca 0.16 -2.62 -0.08 0.00 -0.02 0.00 0.00 54.58 52.03 3gaq n ASN 96 Cb 0.28 -0.33 -0.09 0.00 -2.36 0.00 0.00 39.78 37.27 3gaq n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gaq s ALA 97 N -1.41 0.23 -0.26 -2.53 0.00 0.15 -0.59 121.76 117.35 3gaq s ALA 97 Ca 0.20 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 3gaq s ALA 97 Cb 0.19 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.63 3gaq s ALA 97 CO -0.02 -0.38 -0.01 -0.06 0.00 0.00 0.00 175.76 175.29 3gaq s PHE 98 N -3.52 3.07 -0.52 0.00 0.40 0.17 -1.55 117.98 116.03 3gaq s PHE 98 Ca 0.03 -1.27 -0.14 0.00 -0.60 0.00 0.00 56.93 54.95 3gaq s PHE 98 Cb 0.05 -2.13 0.12 0.00 0.51 0.00 0.00 43.02 41.57 3gaq s PHE 98 CO -0.09 -0.65 0.45 0.50 0.70 0.00 0.00 175.22 176.13 3gaq s ARG 99 N 1.40 2.84 0.02 0.44 3.52 -0.14 -1.19 118.95 125.84 3gaq s ARG 99 Ca 0.02 -1.71 -0.30 0.00 -0.13 0.00 0.00 55.73 53.61 3gaq s ARG 99 Cb -0.16 -4.19 -0.03 0.00 -1.56 0.00 0.00 34.95 29.01 3gaq s ARG 99 CO -0.02 -1.28 0.99 0.71 -0.81 0.00 0.00 175.30 174.89 3gaq s TYR 100 N 1.53 3.66 -0.11 5.12 1.51 0.74 -1.53 117.35 128.27 3gaq s TYR 100 Ca 0.04 1.68 0.03 0.00 -1.01 0.00 0.00 57.07 57.81 3gaq s TYR 100 Cb -0.29 -3.13 0.01 0.00 -0.11 0.00 0.00 41.96 38.44 3gaq s TYR 100 CO 0.02 -0.07 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.19 3gaq s GLU 101 N 0.90 2.69 0.79 -0.62 2.12 -0.23 -1.45 118.70 122.90 3gaq s GLU 101 Ca 0.52 -0.74 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 3gaq s GLU 101 Cb -0.22 -2.15 0.09 0.00 0.26 0.00 0.00 34.13 32.10 3gaq s GLU 101 CO 0.28 0.04 1.14 0.95 -0.54 0.00 0.00 175.26 177.13 3gaq s THR 102 N 0.70 2.08 0.23 -1.70 -4.23 -0.46 -2.70 115.64 109.57 3gaq s THR 102 Ca -0.11 -0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.24 3gaq s THR 102 Cb -0.16 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.89 3gaq s THR 102 CO 0.02 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 175.90 3gaq h GLU 103 N -0.97 1.04 -0.70 3.99 4.57 -1.91 -1.60 114.58 119.00 3gaq h GLU 103 Ca -0.45 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3gaq h GLU 103 Cb 1.32 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3gaq h GLU 103 CO 0.62 0.69 0.00 -0.40 -1.18 0.00 0.00 179.01 178.73 3gaq n ASP 104 N -4.55 3.73 0.00 1.04 5.75 -1.26 -4.91 116.55 116.35 3gaq n ASP 104 Ca 0.11 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 3gaq n ASP 104 Cb 0.09 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 3gaq n ASP 104 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gaq n GLY 105 N 0.51 0.61 3.75 6.12 0.00 -0.60 -5.03 105.19 110.55 3gaq n GLY 105 Ca 0.17 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3gaq n GLY 105 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gaq s GLN 106 N -1.04 4.48 0.08 1.61 -0.21 -1.26 -4.86 119.66 118.47 3gaq s GLN 106 Ca 0.00 1.99 0.08 0.00 0.02 0.00 0.00 55.36 57.45 3gaq s GLN 106 Cb 0.00 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 3gaq s GLN 106 CO 0.00 -0.04 -0.22 0.08 -2.12 0.00 0.00 175.29 172.99 3gaq s VAL 107 N -0.76 1.80 -0.20 1.09 1.01 -1.26 -1.35 120.40 120.73 3gaq s VAL 107 Ca 0.49 -1.43 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3gaq s VAL 107 Cb -0.35 -1.59 0.08 0.00 0.00 0.00 0.00 36.38 34.51 3gaq s VAL 107 CO 0.44 0.09 0.44 -0.36 0.00 0.00 0.00 175.10 175.71 3gaq s PHE 108 N -0.99 -0.76 -0.17 5.22 0.40 -0.53 -5.00 117.98 116.15 3gaq s PHE 108 Ca 0.08 1.51 0.01 0.00 -0.60 0.00 0.00 56.93 57.92 3gaq s PHE 108 Cb -0.10 0.33 0.03 0.00 0.51 0.00 0.00 43.02 43.79 3gaq s PHE 108 CO 0.03 -0.44 -0.16 0.99 0.70 0.00 0.00 175.22 176.34 3gaq s THR 109 N 2.14 1.80 0.11 0.64 2.01 -1.26 -0.19 115.64 120.90 3gaq s THR 109 Ca -0.05 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.16 3gaq s THR 109 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 3gaq s THR 109 CO -0.13 0.44 0.00 -1.81 -0.69 0.00 0.00 174.62 172.42 3gaq s ASP 110 N 1.38 4.96 -0.01 3.53 1.01 -0.33 -4.64 116.67 122.56 3gaq s ASP 110 Ca 0.04 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.07 3gaq s ASP 110 Cb -0.14 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 3gaq s ASP 110 CO -0.11 0.15 0.03 -0.69 0.21 0.00 0.00 175.17 174.76 3gaq s VAL 111 N -1.41 4.37 -0.44 -1.27 1.01 -0.82 0.41 120.40 122.25 3gaq s VAL 111 Ca 0.26 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3gaq s VAL 111 Cb -0.11 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.34 3gaq s VAL 111 CO 0.18 0.39 1.10 -0.63 0.00 0.00 0.00 175.10 176.15 3gaq s ILE 112 N -1.10 4.30 -0.00 2.22 -1.09 0.24 -1.13 121.20 124.64 3gaq s ILE 112 Ca 0.20 1.29 -0.16 0.00 -2.23 0.00 0.00 60.65 59.75 3gaq s ILE 112 Cb -0.12 -4.55 -0.34 0.00 -1.58 0.00 0.00 42.46 35.88 3gaq s ILE 112 CO 0.10 -0.88 0.90 0.00 -1.23 0.00 0.00 174.94 173.84 3gaq h ALA 113 N 8.96 -0.08 -2.18 9.38 0.00 -1.30 -3.46 119.26 130.59 3gaq h ALA 113 Ca -0.23 -0.91 -0.07 0.00 0.00 0.00 0.00 54.91 53.70 3gaq h ALA 113 Cb 1.06 0.24 -0.21 0.00 0.00 0.00 0.00 17.79 18.89 3gaq h ALA 113 CO 1.10 0.73 0.04 -0.47 0.00 0.00 0.00 179.25 180.65 3gaq s TYR 114 N -2.57 -0.60 -0.16 0.00 5.04 -1.13 -4.83 117.35 113.09 3gaq s TYR 114 Ca -0.11 1.26 -0.18 0.00 -2.44 0.00 0.00 57.07 55.59 3gaq s TYR 114 Cb 0.04 0.28 0.05 0.00 0.35 0.00 0.00 41.96 42.68 3gaq s TYR 114 CO 0.91 -0.45 0.50 0.45 -1.34 0.00 0.00 175.55 175.62 3gaq s SER 115 N -0.51 -0.50 0.42 4.32 0.15 0.11 -0.22 113.70 117.48 3gaq s SER 115 Ca -0.06 0.89 0.04 0.00 0.70 0.00 0.00 55.95 57.52 3gaq s SER 115 Cb -0.03 0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 65.17 3gaq s SER 115 CO 0.05 -0.24 0.14 -0.62 1.20 0.00 0.00 173.24 173.77 3gaq s ASP 116 N -0.02 2.87 0.47 5.45 -1.08 -0.91 -4.71 116.67 118.74 3gaq s ASP 116 Ca -0.02 -1.72 0.31 0.00 -0.52 0.00 0.00 52.55 50.60 3gaq s ASP 116 Cb -0.03 0.58 1.70 0.00 -1.46 0.00 0.00 42.92 43.71 3gaq s ASP 116 CO 0.02 -0.98 1.96 0.44 0.52 0.00 0.00 175.17 177.13 3gaq h ASP 117 N 1.74 0.00 0.00 -0.34 3.45 -2.02 -2.97 116.42 116.28 3gaq h ASP 117 Ca -0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.12 3gaq h ASP 117 Cb 1.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3gaq h ASP 117 CO 0.55 0.00 -0.36 -0.46 -1.57 0.00 0.00 179.24 177.40 3gaq n ASN 118 N -2.60 0.26 -3.63 6.45 6.94 -1.26 -5.03 115.26 116.38 3gaq n ASN 118 Ca -0.02 -1.93 -0.10 0.00 -0.02 0.00 0.00 54.58 52.51 3gaq n ASN 118 Cb 0.06 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.28 3gaq n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gaq s ASP 120 N -2.83 -0.32 -0.19 0.00 1.01 -0.72 -2.14 116.67 111.48 3gaq s ASP 120 Ca 0.06 0.52 -0.02 0.00 0.71 0.00 0.00 52.55 53.82 3gaq s ASP 120 Cb -0.03 0.60 -0.01 0.00 1.01 0.00 0.00 42.92 44.49 3gaq s ASP 120 CO -0.03 -0.24 -0.08 -0.69 0.21 0.00 0.00 175.17 174.34 3gaq s VAL 121 N -0.31 3.18 -0.05 -1.27 1.01 0.70 -0.70 120.40 122.96 3gaq s VAL 121 Ca -0.04 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3gaq s VAL 121 Cb -0.03 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 3gaq s VAL 121 CO 0.02 0.47 -0.20 -0.63 0.00 0.00 0.00 175.10 174.76 3gaq s ILE 122 N 1.11 1.63 -0.12 2.22 1.01 -0.29 -0.85 121.20 125.90 3gaq s ILE 122 Ca 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3gaq s ILE 122 Cb -0.15 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 3gaq s ILE 122 CO -0.02 0.46 0.05 -0.47 0.00 0.00 0.00 174.94 174.96 3gaq s TYR 123 N 0.02 3.27 -0.37 3.97 5.04 -0.29 0.37 117.35 129.36 3gaq s TYR 123 Ca -0.05 0.21 -0.02 0.00 -2.44 0.00 0.00 57.07 54.77 3gaq s TYR 123 Cb -0.13 -1.91 0.09 0.00 0.35 0.00 0.00 41.96 40.37 3gaq s TYR 123 CO 0.03 0.42 0.13 0.08 -1.34 0.00 0.00 175.55 174.87 3gaq s VAL 124 N -0.51 3.12 0.60 3.14 1.01 0.20 -1.94 120.40 126.01 3gaq s VAL 124 Ca 0.10 -1.90 0.30 0.00 0.00 0.00 0.00 61.98 60.49 3gaq s VAL 124 Cb -0.12 -3.06 0.36 0.00 0.00 0.00 0.00 36.38 33.56 3gaq s VAL 124 CO 0.02 -0.52 2.18 -0.65 0.00 0.00 0.00 175.10 176.13 3gaq h PRO 125 N 7.99 0.00 -4.92 2.72 0.11 -1.83 -1.21 132.00 134.87 3gaq h PRO 125 Ca -0.14 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.81 3gaq h PRO 125 Cb 1.05 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.28 3gaq h PRO 125 CO 0.64 0.00 -0.54 0.41 -0.21 0.00 0.00 178.00 178.30 3gaq n GLY 126 N -1.34 -0.79 3.99 -0.55 0.00 -1.25 -4.57 105.19 100.68 3gaq n GLY 126 Ca -0.01 0.39 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 3gaq n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gaq s THR 127 N -3.24 3.53 -1.28 2.61 -4.23 -1.26 -4.46 115.64 107.31 3gaq s THR 127 Ca 0.29 -0.93 -0.06 0.00 -1.18 0.00 0.00 61.69 59.81 3gaq s THR 127 Cb -0.04 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.62 3gaq s THR 127 CO 0.58 -0.10 0.39 0.47 -0.54 0.00 0.00 174.62 175.43 3gaq n ASP 128 N -1.82 -4.22 0.00 3.99 8.00 -1.26 -2.05 116.55 119.19 3gaq n ASP 128 Ca 0.04 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3gaq n ASP 128 Cb 0.59 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 3gaq n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gaq n GLY 129 N -1.15 0.77 3.89 0.44 0.00 -1.26 -5.04 105.19 102.84 3gaq n GLY 129 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3gaq n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gaq s ASN 130 N -2.57 6.04 0.22 1.61 0.01 -0.87 -5.02 114.94 114.35 3gaq s ASN 130 Ca 0.00 1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 52.94 3gaq s ASN 130 Cb 0.00 -2.19 -0.09 0.00 0.41 0.00 0.00 41.25 39.38 3gaq s ASN 130 CO 0.00 -0.86 1.30 -1.61 -1.51 0.00 0.00 177.10 174.42 3gaq s GLU 131 N -5.01 4.40 0.10 -0.60 2.02 -1.26 -4.19 118.70 114.16 3gaq s GLU 131 Ca 0.52 2.05 -0.25 0.00 0.02 0.00 0.00 54.97 57.32 3gaq s GLU 131 Cb -0.11 -3.18 -0.07 0.00 0.10 0.00 0.00 34.13 30.88 3gaq s GLU 131 CO 0.49 -0.22 0.78 -2.00 0.02 0.00 0.00 175.26 174.33 3gaq s GLU 132 N -0.36 4.54 0.00 1.61 2.12 -1.26 -3.82 118.70 121.53 3gaq s GLU 132 Ca 0.55 1.13 0.00 0.00 0.36 0.00 0.00 54.97 57.01 3gaq s GLU 132 Cb -0.36 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.70 3gaq s GLU 132 CO 0.40 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.93 3gaq n GLY 133 N 2.04 0.79 3.21 -1.50 0.00 -0.46 -4.84 105.19 104.43 3gaq n GLY 133 Ca -0.04 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 3gaq n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gaq s TYR 134 N -2.49 1.73 0.13 1.61 1.51 -1.26 0.61 117.35 119.19 3gaq s TYR 134 Ca 0.00 -0.35 0.09 0.00 -1.01 0.00 0.00 57.07 55.81 3gaq s TYR 134 Cb 0.00 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 3gaq s TYR 134 CO 0.00 0.02 -0.18 -1.21 -1.11 0.00 0.00 175.55 173.07 3gaq s GLU 135 N -0.76 1.77 -0.09 -0.62 2.02 0.16 -1.85 118.70 119.33 3gaq s GLU 135 Ca 0.07 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.86 3gaq s GLU 135 Cb -0.08 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.08 3gaq s GLU 135 CO 0.00 0.47 -0.13 -1.17 0.02 0.00 0.00 175.26 174.45 3gaq s LEU 136 N -2.25 1.62 0.09 1.80 2.96 -0.42 -1.14 118.68 121.34 3gaq s LEU 136 Ca 0.19 -0.35 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3gaq s LEU 136 Cb -0.10 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 3gaq s LEU 136 CO 0.10 0.01 -0.24 0.26 -1.32 0.00 0.00 176.35 175.17 3gaq s TRP 137 N 0.89 2.07 0.20 5.38 0.52 0.13 -1.07 118.94 127.06 3gaq s TRP 137 Ca -0.10 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.50 3gaq s TRP 137 Cb -0.15 -1.17 0.00 0.00 -1.15 0.00 0.00 33.47 31.00 3gaq s TRP 137 CO 0.01 0.22 0.41 0.95 0.02 0.00 0.00 176.95 178.56 3gaq s THR 138 N -0.99 0.03 -2.10 2.01 -4.23 -0.08 -1.75 115.64 108.53 3gaq s THR 138 Ca 0.10 -1.24 0.14 0.00 -1.18 0.00 0.00 61.69 59.52 3gaq s THR 138 Cb -0.10 -1.90 0.36 0.00 1.34 0.00 0.00 72.50 72.20 3gaq s THR 138 CO 0.04 -0.14 1.41 0.35 -0.54 0.00 0.00 174.62 175.74 3gaq n THR 139 N -0.31 0.23 -3.21 3.99 -2.24 -1.08 -0.28 114.28 111.38 3gaq n THR 139 Ca -0.06 -0.28 -0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3gaq n THR 139 Cb 0.62 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 3gaq n THR 139 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gaq s ASP 140 N -1.31 -0.89 0.45 3.42 -1.08 -1.26 -4.87 116.67 111.13 3gaq s ASP 140 Ca 0.24 0.25 0.31 0.00 -0.52 0.00 0.00 52.55 52.83 3gaq s ASP 140 Cb 0.13 1.75 1.63 0.00 -1.46 0.00 0.00 42.92 44.97 3gaq s ASP 140 CO 0.19 -0.30 1.94 0.10 0.52 0.00 0.00 175.17 177.61 3gaq h TYR 141 N 8.06 0.00 0.00 -5.34 -0.00 -1.90 -1.61 116.97 116.17 3gaq h TYR 141 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.62 3gaq h TYR 141 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.89 3gaq h TYR 141 CO 0.20 0.00 -0.23 -0.44 -0.00 0.00 0.00 178.16 177.69 3gaq h ASP 142 N 0.00 0.00 -2.99 0.10 3.32 -1.95 -3.44 116.42 111.45 3gaq h ASP 142 Ca 0.00 -0.06 -0.53 0.00 0.02 0.00 0.00 57.03 56.46 3gaq h ASP 142 Cb 0.05 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.20 3gaq h ASP 142 CO 0.00 0.03 -0.77 0.20 -1.72 0.00 0.00 179.24 176.98 3gaq s ASN 143 N -4.76 3.37 -0.34 6.45 0.01 -0.61 -5.12 114.94 113.94 3gaq s ASN 143 Ca 0.08 -1.19 -0.23 0.00 -0.71 0.00 0.00 52.86 50.81 3gaq s ASN 143 Cb 0.11 -0.50 0.00 0.00 0.41 0.00 0.00 41.25 41.28 3gaq s ASN 143 CO 0.65 -0.40 0.78 -0.63 -1.51 0.00 0.00 177.10 175.99 3gaq s ILE 144 N 1.95 4.77 0.26 0.60 1.01 -1.26 -4.61 121.20 123.92 3gaq s ILE 144 Ca 0.06 1.00 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 3gaq s ILE 144 Cb -0.16 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.03 3gaq s ILE 144 CO -0.25 -0.34 1.48 -2.84 0.00 0.00 0.00 174.94 172.98 3gaq s PRO 145 N 3.02 4.23 0.29 2.79 0.02 -1.26 -4.92 135.00 139.16 3gaq s PRO 145 Ca 0.31 2.37 -0.01 0.00 0.02 0.00 0.00 61.00 63.70 3gaq s PRO 145 Cb -0.14 -3.09 0.48 0.00 0.02 0.00 0.00 34.50 31.78 3gaq s PRO 145 CO 0.15 -0.47 1.90 0.00 -0.33 0.00 0.00 177.00 178.24 3gaq h ALA 146 N 4.98 1.47 -0.16 -1.55 0.00 -1.98 -2.65 119.26 119.36 3gaq h ALA 146 Ca -0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3gaq h ALA 146 Cb 1.22 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gaq h ALA 146 CO 0.78 0.39 -0.04 -2.95 0.00 0.00 0.00 179.25 177.43 3gaq h ASN 147 N 1.09 0.31 -0.87 0.00 7.08 -1.99 0.12 115.58 121.33 3gaq h ASN 147 Ca 0.41 -0.37 0.03 0.00 -3.08 0.00 0.00 56.30 53.30 3gaq h ASN 147 Cb 0.19 -0.08 -0.05 0.00 -2.08 0.00 0.00 38.32 36.30 3gaq h ASN 147 CO -0.16 0.60 0.56 0.00 -2.08 0.00 0.00 177.43 176.35 3gaq h LEU 149 N 1.09 -0.24 -0.54 0.00 5.85 -1.23 0.83 115.31 121.08 3gaq h LEU 149 Ca 0.34 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3gaq h LEU 149 Cb -0.00 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3gaq h LEU 149 CO -0.11 -0.06 0.13 -1.13 -0.34 0.00 0.00 178.44 176.92 3gaq h ASN 150 N -0.41 0.04 -0.16 1.25 -1.24 -0.54 -0.66 115.58 113.86 3gaq h ASN 150 Ca -0.03 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 3gaq h ASN 150 Cb 0.31 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 3gaq h ASN 150 CO 0.05 0.04 0.06 0.11 -1.29 0.00 0.00 177.43 176.40 3gaq h LYS 151 N 0.27 0.24 -0.57 6.67 1.79 -0.74 -1.55 116.57 122.68 3gaq h LYS 151 Ca 0.27 -0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.80 3gaq h LYS 151 Cb 0.37 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.90 3gaq h LYS 151 CO -0.34 0.33 0.11 0.35 -1.08 0.00 0.00 179.45 178.82 3gaq h PHE 152 N 0.10 0.17 -0.25 -1.35 3.57 0.11 -1.04 116.94 118.25 3gaq h PHE 152 Ca 0.05 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 3gaq h PHE 152 Cb 0.18 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3gaq h PHE 152 CO -0.01 -0.03 -0.38 -0.91 -2.23 0.00 0.00 178.31 174.74 3gaq h ASN 153 N 0.24 0.60 0.81 0.41 2.35 -1.06 0.40 115.58 119.34 3gaq h ASN 153 Ca 0.30 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3gaq h ASN 153 Cb 0.43 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.64 3gaq h ASN 153 CO -0.39 0.92 -0.39 -0.08 -1.65 0.00 0.00 177.43 175.84 3gaq h GLU 154 N 0.47 -1.05 0.00 0.81 4.81 -0.63 -2.98 114.58 116.00 3gaq h GLU 154 Ca 0.04 0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3gaq h GLU 154 Cb 0.88 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3gaq h GLU 154 CO 0.08 -0.69 -0.30 1.88 -0.73 0.00 0.00 179.01 179.24 3gaq h TYR 155 N -1.17 0.00 -0.25 0.92 0.05 -1.20 -2.15 116.97 113.16 3gaq h TYR 155 Ca -0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 3gaq h TYR 155 Cb 0.85 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 3gaq h TYR 155 CO -0.01 0.30 0.02 0.00 -1.05 0.00 0.00 178.16 177.42 3gaq n ALA 156 N -2.43 3.12 -1.68 3.88 0.00 0.13 -4.95 120.51 118.58 3gaq n ALA 156 Ca -0.02 -0.81 -0.44 0.00 0.00 0.00 0.00 53.44 52.17 3gaq n ALA 156 Cb 0.36 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 3gaq n ALA 156 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3gaq n VAL 157 N 0.22 1.25 -0.14 0.00 3.14 -0.81 -1.72 118.33 120.27 3gaq n VAL 157 Ca 0.12 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 3gaq n VAL 157 Cb 0.66 -1.49 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 3gaq n VAL 157 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gaq n GLY 158 N 1.77 1.31 3.50 7.55 0.00 -1.26 -5.03 105.19 113.03 3gaq n GLY 158 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3gaq n GLY 158 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gaq s ARG 159 N -0.50 2.97 -0.10 1.61 0.52 -0.70 -5.09 118.95 117.66 3gaq s ARG 159 Ca 0.00 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 3gaq s ARG 159 Cb 0.00 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.85 3gaq s ARG 159 CO 0.00 0.50 1.03 -2.00 0.02 0.00 0.00 175.30 174.85 3gaq s GLU 160 N -0.37 4.41 0.52 3.54 2.12 -1.26 -5.03 118.70 122.63 3gaq s GLU 160 Ca 0.05 1.43 -0.00 0.00 0.36 0.00 0.00 54.97 56.80 3gaq s GLU 160 Cb -0.12 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 30.74 3gaq s GLU 160 CO 0.02 -0.33 0.75 0.95 -0.54 0.00 0.00 175.26 176.12 3gaq s THR 161 N 2.04 3.28 0.09 -1.70 -4.23 -1.26 -4.59 115.64 109.27 3gaq s THR 161 Ca 0.49 -0.52 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 3gaq s THR 161 Cb -0.19 -3.24 0.03 0.00 1.34 0.00 0.00 72.50 70.44 3gaq s THR 161 CO 0.18 -0.18 0.38 0.00 -0.54 0.00 0.00 174.62 174.46 3gaq s ARG 162 N -4.72 0.97 0.43 3.99 1.70 -0.37 -4.98 118.95 115.97 3gaq s ARG 162 Ca 0.53 -0.59 -0.20 0.00 -0.47 0.00 0.00 55.73 55.00 3gaq s ARG 162 Cb -0.10 0.43 -0.11 0.00 -0.57 0.00 0.00 34.95 34.60 3gaq s ARG 162 CO 0.39 -0.35 0.95 -0.51 -1.08 0.00 0.00 175.30 174.69 3gaq s ASP 163 N -2.47 6.90 0.03 -2.89 1.11 -1.26 -2.19 116.67 115.90 3gaq s ASP 163 Ca -0.00 1.66 0.00 0.00 0.18 0.00 0.00 52.55 54.39 3gaq s ASP 163 Cb 0.01 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.47 3gaq s ASP 163 CO -0.08 -0.38 0.00 0.52 1.18 0.00 0.00 175.17 176.41 3gaq n VAL 164 N -0.73 0.22 -3.53 -1.27 0.31 0.12 -4.83 118.33 108.62 3gaq n VAL 164 Ca 0.07 0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 3gaq n VAL 164 Cb 0.54 -0.97 -0.10 0.00 -0.91 0.00 0.00 33.84 32.40 3gaq n VAL 164 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3gaq s PHE 165 N -1.21 3.25 0.54 3.52 2.19 0.44 0.62 117.98 127.33 3gaq s PHE 165 Ca 0.00 -0.92 0.02 0.00 0.33 0.00 0.00 56.93 56.36 3gaq s PHE 165 Cb 0.00 -2.63 0.01 0.00 -1.31 0.00 0.00 43.02 39.09 3gaq s PHE 165 CO 0.00 -0.68 0.16 0.95 1.83 0.00 0.00 175.22 177.48 3gaq s THR 166 N 1.59 1.25 0.44 0.12 -4.23 -1.26 -4.51 115.64 109.04 3gaq s THR 166 Ca 0.03 -1.81 0.23 0.00 -1.18 0.00 0.00 61.69 58.97 3gaq s THR 166 Cb -0.20 -2.06 0.26 0.00 1.34 0.00 0.00 72.50 71.84 3gaq s THR 166 CO 0.07 0.00 2.06 -1.28 -0.54 0.00 0.00 174.62 174.93 3gaq h SER 167 N 1.08 0.00 -0.61 3.99 0.87 -1.93 -2.65 113.55 114.29 3gaq h SER 167 Ca -0.41 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.20 3gaq h SER 167 Cb 1.32 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.24 3gaq h SER 167 CO 0.67 0.13 0.41 0.00 -0.53 0.00 0.00 176.83 177.51 3gaq h ALA 168 N 1.87 1.74 -0.88 6.23 0.00 -1.97 -2.61 119.26 123.64 3gaq h ALA 168 Ca -0.00 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.12 3gaq h ALA 168 Cb 0.30 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 3gaq h ALA 168 CO 0.02 0.18 0.24 0.00 0.00 0.00 0.00 179.25 179.69 3gaq n LEU 170 N -5.22 5.63 0.00 0.00 4.77 -0.99 -5.05 117.00 116.14 3gaq n LEU 170 Ca 0.21 -2.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 3gaq n LEU 170 Cb 0.68 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gaq n LEU 170 CO 0.06 0.62 0.00 -0.62 -1.33 0.00 0.00 177.39 176.12