#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqe s LYS 0 N 0.00 4.08 -0.17 0.03 1.02 -1.26 -5.05 119.74 118.38 3gqe s LYS 0 Ca 0.00 0.63 -0.05 0.00 0.02 0.00 0.00 55.97 56.57 3gqe s LYS 0 Cb 0.00 -2.93 0.06 0.00 -0.52 0.00 0.00 37.83 34.45 3gqe s LYS 0 CO 0.00 0.46 0.10 0.00 -0.92 0.00 0.00 175.35 174.99 3gqe s ALA 1 N -1.47 0.38 0.67 5.17 0.00 -1.20 -4.85 121.76 120.46 3gqe s ALA 1 Ca 0.39 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 3gqe s ALA 1 Cb -0.16 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.94 3gqe s ALA 1 CO 0.20 -1.18 1.00 -1.25 0.00 0.00 0.00 175.76 174.53 3gqe s PRO 2 N 2.15 2.57 0.13 0.00 0.04 -1.15 -4.52 135.00 134.22 3gqe s PRO 2 Ca 0.02 0.01 0.10 0.00 0.04 0.00 0.00 61.00 61.17 3gqe s PRO 2 Cb -0.16 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3gqe s PRO 2 CO -0.10 -1.03 -0.23 -1.12 0.04 0.00 0.00 177.00 174.56 3gqe s SER 3 N -4.41 2.92 0.01 6.66 0.01 -0.60 -4.98 113.70 113.31 3gqe s SER 3 Ca 0.58 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 57.12 3gqe s SER 3 Cb -0.11 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 3gqe s SER 3 CO 0.47 0.09 -0.11 -0.31 0.41 0.00 0.00 173.24 173.79 3gqe s TYR 4 N -1.30 1.01 0.12 2.43 1.51 -1.26 0.52 117.35 120.38 3gqe s TYR 4 Ca 0.12 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.79 3gqe s TYR 4 Cb -0.09 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.15 3gqe s TYR 4 CO 0.06 -0.00 0.32 -3.38 -1.11 0.00 0.00 175.55 171.43 3gqe s HIS 5 N -0.55 -0.02 -0.10 2.71 -3.43 -0.72 -4.96 115.29 108.22 3gqe s HIS 5 Ca 0.02 -0.35 -0.01 0.00 -0.80 0.00 0.00 55.06 53.92 3gqe s HIS 5 Cb -0.06 0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 3gqe s HIS 5 CO 0.00 -0.65 -0.03 0.08 -2.00 0.00 0.00 174.74 172.14 3gqe s VAL 6 N -3.84 3.99 -0.10 -5.38 1.01 -1.26 -1.05 120.40 113.76 3gqe s VAL 6 Ca 0.05 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3gqe s VAL 6 Cb 0.03 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3gqe s VAL 6 CO -0.10 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 3gqe s VAL 7 N -0.56 1.38 -0.27 2.92 1.01 0.07 -4.88 120.40 120.06 3gqe s VAL 7 Ca 0.09 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 3gqe s VAL 7 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3gqe s VAL 7 CO 0.02 0.42 0.48 -0.60 0.00 0.00 0.00 175.10 175.42 3gqe s ARG 8 N 1.05 4.04 0.00 2.72 3.52 -1.26 -1.77 118.95 127.24 3gqe s ARG 8 Ca -0.06 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 3gqe s ARG 8 Cb -0.15 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 3gqe s ARG 8 CO -0.02 -0.35 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 3gqe n GLY 9 N 4.48 -0.44 3.59 8.12 0.00 -0.58 -4.96 105.19 115.40 3gqe n GLY 9 Ca -0.05 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 3gqe n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqe s ASP 10 N -4.00 5.98 0.56 1.61 -1.08 -1.26 -4.54 116.67 113.94 3gqe s ASP 10 Ca 0.00 -0.01 0.30 0.00 -0.52 0.00 0.00 52.55 52.33 3gqe s ASP 10 Cb 0.00 -2.11 1.65 0.00 -1.46 0.00 0.00 42.92 41.00 3gqe s ASP 10 CO 0.00 -0.04 2.15 -0.29 0.52 0.00 0.00 175.17 177.51 3gqe h ILE 11 N 5.34 0.46 -0.54 4.11 2.10 -1.98 -2.15 117.51 124.86 3gqe h ILE 11 Ca -0.35 -0.34 0.13 0.00 1.08 0.00 0.00 64.86 65.37 3gqe h ILE 11 Cb 1.19 1.23 -0.03 0.00 -1.09 0.00 0.00 36.82 38.12 3gqe h ILE 11 CO 0.56 0.07 0.37 0.00 -1.08 0.00 0.00 178.15 178.08 3gqe h ALA 12 N 1.93 2.28 -0.01 0.18 0.00 -1.95 -1.32 119.26 120.37 3gqe h ALA 12 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gqe h ALA 12 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gqe h ALA 12 CO 0.01 -0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.09 3gqe n THR 13 N -4.43 0.00 -1.53 0.00 -2.24 -0.81 -4.95 114.28 100.32 3gqe n THR 13 Ca 0.09 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 3gqe n THR 13 Cb 0.49 0.16 0.09 0.00 -2.10 0.00 0.00 70.33 68.97 3gqe n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqe n ALA 14 N -0.22 0.75 -0.01 6.98 0.00 -0.50 -4.94 120.51 122.57 3gqe n ALA 14 Ca 0.21 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.58 3gqe n ALA 14 Cb 0.27 -2.29 0.09 0.00 0.00 0.00 0.00 19.45 17.52 3gqe n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gqe n THR 15 N -2.34 0.76 -1.15 0.00 -2.24 -1.26 -5.03 114.28 103.02 3gqe n THR 15 Ca 0.15 -0.88 -0.29 0.00 -2.27 0.00 0.00 64.05 60.77 3gqe n THR 15 Cb 0.49 0.66 0.18 0.00 -2.10 0.00 0.00 70.33 69.56 3gqe n THR 15 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gqe s GLU 16 N -0.92 0.39 0.33 -0.78 8.01 -1.26 -4.97 118.70 119.51 3gqe s GLU 16 Ca 0.15 0.52 0.02 0.00 0.01 0.00 0.00 54.97 55.67 3gqe s GLU 16 Cb 0.08 -1.73 0.58 0.00 -4.31 0.00 0.00 34.13 28.75 3gqe s GLU 16 CO 0.11 -2.76 1.94 0.78 0.01 0.00 0.00 175.26 175.34 3gqe h GLY 17 N -1.91 0.80 -4.53 -1.39 0.00 -1.78 -3.45 103.07 90.80 3gqe h GLY 17 Ca -0.55 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.28 3gqe h GLY 17 CO 0.57 0.36 -0.40 0.54 0.00 0.00 0.00 176.54 177.60 3gqe s VAL 18 N -5.42 0.08 0.11 4.60 0.11 -1.18 -4.52 120.40 114.19 3gqe s VAL 18 Ca -0.09 -0.66 0.10 0.00 -2.93 0.00 0.00 61.98 58.40 3gqe s VAL 18 Cb 0.17 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 3gqe s VAL 18 CO 0.77 -0.36 -0.24 0.27 -3.33 0.00 0.00 175.10 172.20 3gqe s ILE 19 N -1.58 2.03 -0.20 7.04 -4.36 -0.72 -1.03 121.20 122.38 3gqe s ILE 19 Ca -0.13 -1.65 -0.14 0.00 -0.26 0.00 0.00 60.65 58.47 3gqe s ILE 19 Cb -0.06 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.80 3gqe s ILE 19 CO 0.02 0.04 0.33 -0.63 0.24 0.00 0.00 174.94 174.94 3gqe s ILE 20 N -1.08 5.25 -0.30 8.37 1.09 -0.29 -1.21 121.20 133.02 3gqe s ILE 20 Ca 0.11 0.57 -0.17 0.00 -1.10 0.00 0.00 60.65 60.05 3gqe s ILE 20 Cb -0.10 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.62 3gqe s ILE 20 CO 0.05 0.29 0.47 0.21 -0.10 0.00 0.00 174.94 175.86 3gqe s ASN 21 N 0.96 6.33 -0.87 3.58 2.47 0.88 -4.53 114.94 123.76 3gqe s ASN 21 Ca 0.16 0.23 -0.25 0.00 0.42 0.00 0.00 52.86 53.42 3gqe s ASN 21 Cb -0.14 -2.25 0.04 0.00 -1.45 0.00 0.00 41.25 37.45 3gqe s ASN 21 CO 0.07 -0.33 1.35 0.00 -3.72 0.00 0.00 177.10 174.47 3gqe s ALA 22 N 2.26 2.74 0.40 1.71 0.00 -1.26 -0.86 121.76 126.75 3gqe s ALA 22 Ca 0.18 -1.80 0.06 0.00 0.00 0.00 0.00 51.96 50.40 3gqe s ALA 22 Cb -0.16 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.59 3gqe s ALA 22 CO 0.11 -3.44 0.56 0.00 0.00 0.00 0.00 175.76 172.99 3gqe s ALA 23 N 5.34 4.29 0.70 0.00 0.00 -0.35 -4.49 121.76 127.25 3gqe s ALA 23 Ca 0.40 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3gqe s ALA 23 Cb -0.04 -1.73 0.12 0.00 0.00 0.00 0.00 23.12 21.46 3gqe s ALA 23 CO 0.03 -0.23 0.97 0.54 0.00 0.00 0.00 175.76 177.07 3gqe s ASN 24 N -4.27 4.46 0.00 0.00 2.20 -0.68 -4.29 114.94 112.36 3gqe s ASN 24 Ca 0.50 -0.33 0.15 0.00 -0.94 0.00 0.00 52.86 52.25 3gqe s ASN 24 Cb -0.10 -0.10 0.91 0.00 -2.00 0.00 0.00 41.25 39.96 3gqe s ASN 24 CO 0.33 -1.78 1.33 -1.54 -2.94 0.00 0.00 177.10 172.51 3gqe n SER 25 N -2.78 0.00 -0.57 3.54 3.41 -1.26 -0.62 113.62 115.35 3gqe n SER 25 Ca 0.14 -0.62 0.13 0.00 -0.26 0.00 0.00 58.87 58.26 3gqe n SER 25 Cb 0.60 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.86 3gqe n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gqe n LYS 26 N -0.93 1.61 -0.29 4.33 4.01 -1.26 -2.00 118.16 123.63 3gqe n LYS 26 Ca 0.11 -1.14 0.00 0.00 -0.51 0.00 0.00 58.31 56.78 3gqe n LYS 26 Cb 0.05 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 3gqe n LYS 26 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gqe n GLY 27 N 1.29 1.78 3.79 0.72 0.00 0.21 -4.55 105.19 108.44 3gqe n GLY 27 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3gqe n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gqe s GLN 28 N -0.23 4.47 1.06 1.61 -0.21 -1.26 -4.72 119.66 120.38 3gqe s GLN 28 Ca 0.00 1.31 -0.17 0.00 0.02 0.00 0.00 55.36 56.51 3gqe s GLN 28 Cb 0.00 -2.65 0.23 0.00 1.00 0.00 0.00 33.01 31.60 3gqe s GLN 28 CO 0.00 0.17 1.24 -1.25 -2.12 0.00 0.00 175.29 173.33 3gqe s PRO 29 N -2.33 -0.10 0.23 2.91 0.04 -1.26 -1.68 135.00 132.81 3gqe s PRO 29 Ca 0.53 -0.28 -0.32 0.00 0.04 0.00 0.00 61.00 60.98 3gqe s PRO 29 Cb -0.17 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 3gqe s PRO 29 CO 0.22 -2.93 1.48 0.41 0.04 0.00 0.00 177.00 176.22 3gqe n GLY 30 N -2.65 0.96 1.42 0.56 0.00 -1.26 -1.90 105.19 102.31 3gqe n GLY 30 Ca 0.14 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3gqe n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqe n GLY 31 N 2.46 1.01 7.00 -0.02 0.00 -1.26 -3.61 105.19 110.77 3gqe n GLY 31 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3gqe n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqe n GLY 32 N -2.00 2.07 0.00 -0.02 0.00 -0.80 -1.47 105.19 102.97 3gqe n GLY 32 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.63 3gqe n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gqe n VAL 33 N 0.00 1.26 1.23 1.61 0.24 -1.26 -1.87 118.33 119.54 3gqe n VAL 33 Ca 0.00 0.31 0.13 0.00 -2.04 0.00 0.00 64.34 62.74 3gqe n VAL 33 Cb 0.00 -1.16 0.34 0.00 -1.47 0.00 0.00 33.84 31.56 3gqe n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gqe s GLY 35 N -2.47 2.67 0.30 0.00 0.00 -0.78 -4.87 107.32 102.17 3gqe s GLY 35 Ca 0.25 0.78 -0.01 0.00 0.00 0.00 0.00 44.72 45.73 3gqe s GLY 35 CO 0.51 1.18 1.93 0.00 0.00 0.00 0.00 173.10 176.72 3gqe h ALA 36 N 1.83 1.37 -0.43 3.20 0.00 -1.90 -2.06 119.26 121.28 3gqe h ALA 36 Ca -0.49 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 3gqe h ALA 36 Cb 1.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3gqe h ALA 36 CO 0.60 0.53 0.02 1.25 0.00 0.00 0.00 179.25 181.64 3gqe h LEU 37 N 0.99 0.64 -0.20 0.00 5.85 -1.94 -1.74 115.31 118.90 3gqe h LEU 37 Ca 0.25 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 3gqe h LEU 37 Cb -0.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 3gqe h LEU 37 CO -0.04 0.70 -0.31 0.22 -0.34 0.00 0.00 178.44 178.66 3gqe h TYR 38 N 0.64 0.69 -0.42 1.25 3.20 -1.71 -0.87 116.97 119.76 3gqe h TYR 38 Ca 0.13 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 61.71 3gqe h TYR 38 Cb 0.37 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3gqe h TYR 38 CO 0.02 0.96 0.03 0.87 -1.64 0.00 0.00 178.16 178.40 3gqe h LYS 39 N 0.23 0.71 -0.24 1.82 1.57 -1.28 -1.54 116.57 117.85 3gqe h LYS 39 Ca 0.02 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 3gqe h LYS 39 Cb 0.90 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3gqe h LYS 39 CO 0.07 0.78 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.30 3gqe h LYS 40 N 0.56 0.56 -1.03 3.15 3.64 -1.39 -3.40 116.57 118.66 3gqe h LYS 40 Ca 0.12 -0.29 -0.46 0.00 -1.27 0.00 0.00 60.65 58.75 3gqe h LYS 40 Cb 0.43 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 31.84 3gqe h LYS 40 CO 0.02 0.87 -0.94 1.19 -2.27 0.00 0.00 179.45 178.32 3gqe n PHE 41 N -4.40 2.32 -0.33 1.91 3.72 -0.33 -4.87 117.46 115.48 3gqe n PHE 41 Ca -0.05 -2.67 0.30 0.00 -0.05 0.00 0.00 57.45 54.99 3gqe n PHE 41 Cb 0.41 -0.24 0.65 0.00 -0.94 0.00 0.00 39.48 39.36 3gqe n PHE 41 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gqe h PRO 42 N 2.61 0.16 -0.08 -1.08 0.13 -1.46 0.47 132.00 132.74 3gqe h PRO 42 Ca 0.14 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.28 3gqe h PRO 42 Cb 1.18 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3gqe h PRO 42 CO 0.63 0.10 0.24 1.05 -0.23 0.00 0.00 178.00 179.79 3gqe h GLU 43 N 0.16 0.00 -0.58 0.86 -0.00 -1.89 -0.76 114.58 112.37 3gqe h GLU 43 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.95 3gqe h GLU 43 Cb 1.99 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.74 3gqe h GLU 43 CO -0.15 0.00 0.00 0.43 -0.00 0.00 0.00 179.01 179.29 3gqe n SER 44 N -3.20 4.57 -4.11 3.06 7.64 0.16 -4.59 113.62 117.15 3gqe n SER 44 Ca -0.01 -2.50 -0.35 0.00 1.01 0.00 0.00 58.87 57.03 3gqe n SER 44 Cb 0.32 -0.55 -0.13 0.00 -1.01 0.00 0.00 64.21 62.84 3gqe n SER 44 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3gqe s PHE 45 N -1.93 3.54 0.97 1.43 0.08 -0.29 -4.68 117.98 117.10 3gqe s PHE 45 Ca 0.48 -2.41 -0.13 0.00 0.12 0.00 0.00 56.93 54.99 3gqe s PHE 45 Cb 0.32 -2.82 0.17 0.00 -0.57 0.00 0.00 43.02 40.12 3gqe s PHE 45 CO 0.22 -0.92 1.12 0.16 -0.10 0.00 0.00 175.22 175.70 3gqe s ASP 46 N 1.44 2.92 -0.26 1.36 1.47 -1.26 -4.99 116.67 117.35 3gqe s ASP 46 Ca 0.05 0.99 0.12 0.00 1.18 0.00 0.00 52.55 54.89 3gqe s ASP 46 Cb -0.21 -1.56 0.47 0.00 -0.34 0.00 0.00 42.92 41.28 3gqe s ASP 46 CO -0.04 -2.92 1.17 0.18 0.68 0.00 0.00 175.17 174.24 3gqe n LEU 47 N -4.01 3.67 -4.77 2.11 4.77 -1.26 -4.94 117.00 112.57 3gqe n LEU 47 Ca 0.07 -4.10 -0.31 0.00 -0.03 0.00 0.00 56.01 51.64 3gqe n LEU 47 Cb 0.59 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3gqe n LEU 47 CO 0.56 1.69 -0.27 -1.10 -1.33 0.00 0.00 177.39 176.94 3gqe s GLN 48 N -3.47 2.86 0.33 3.23 1.11 -1.26 -4.97 119.66 117.48 3gqe s GLN 48 Ca 0.43 -0.69 -0.29 0.00 0.01 0.00 0.00 55.36 54.82 3gqe s GLN 48 Cb 0.38 -2.72 -0.12 0.00 -1.01 0.00 0.00 33.01 29.54 3gqe s GLN 48 CO -0.00 0.57 1.36 -2.30 0.01 0.00 0.00 175.29 174.92 3gqe n PRO 49 N 0.51 2.23 -5.17 2.91 -0.02 -1.26 -4.36 135.00 129.83 3gqe n PRO 49 Ca -0.09 0.78 -0.31 0.00 -2.02 0.00 0.00 63.50 61.86 3gqe n PRO 49 Cb 0.52 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 3gqe n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gqe s ILE 50 N -0.85 1.98 0.57 4.25 1.01 -0.85 -5.00 121.20 122.31 3gqe s ILE 50 Ca 0.58 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 3gqe s ILE 50 Cb -0.56 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 3gqe s ILE 50 CO 0.59 0.54 1.18 -1.61 0.00 0.00 0.00 174.94 175.65 3gqe s GLU 51 N 0.35 3.15 0.19 2.79 2.02 -1.26 -4.48 118.70 121.45 3gqe s GLU 51 Ca -0.18 1.76 -0.33 0.00 0.02 0.00 0.00 54.97 56.25 3gqe s GLU 51 Cb -0.18 -1.99 -0.14 0.00 0.10 0.00 0.00 34.13 31.93 3gqe s GLU 51 CO 0.08 -1.05 1.52 0.28 0.02 0.00 0.00 175.26 176.11 3gqe n VAL 52 N -1.42 0.36 -0.20 2.63 0.31 -1.26 -1.58 118.33 117.18 3gqe n VAL 52 Ca 0.13 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3gqe n VAL 52 Cb 0.50 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 3gqe n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqe n GLY 53 N 2.93 2.30 3.96 2.92 0.00 0.15 -4.96 105.19 112.49 3gqe n GLY 53 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3gqe n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqe s LYS 54 N -0.11 2.60 0.03 1.61 3.01 -0.61 -3.02 119.74 123.24 3gqe s LYS 54 Ca 0.00 -0.68 -0.07 0.00 -1.01 0.00 0.00 55.97 54.21 3gqe s LYS 54 Cb 0.00 -2.47 -0.00 0.00 -1.01 0.00 0.00 37.83 34.35 3gqe s LYS 54 CO 0.00 -0.69 0.13 0.00 0.51 0.00 0.00 175.35 175.30 3gqe s ALA 55 N -2.78 -0.23 -0.04 5.17 0.00 -1.26 -2.16 121.76 120.47 3gqe s ALA 55 Ca 0.56 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 3gqe s ALA 55 Cb -0.10 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3gqe s ALA 55 CO 0.39 -0.29 0.02 0.50 0.00 0.00 0.00 175.76 176.39 3gqe s ARG 56 N -2.15 0.16 -0.03 0.00 3.52 0.12 -4.95 118.95 115.62 3gqe s ARG 56 Ca -0.09 0.19 -0.23 0.00 -0.13 0.00 0.00 55.73 55.47 3gqe s ARG 56 Cb -0.04 -0.51 -0.04 0.00 -1.56 0.00 0.00 34.95 32.80 3gqe s ARG 56 CO -0.02 -0.22 0.70 -1.17 -0.81 0.00 0.00 175.30 173.78 3gqe s LEU 57 N 1.51 4.36 -0.15 -0.88 2.96 -1.26 -0.71 118.68 124.51 3gqe s LEU 57 Ca -0.03 1.25 0.02 0.00 -0.22 0.00 0.00 54.13 55.14 3gqe s LEU 57 Cb -0.13 -3.10 0.01 0.00 0.50 0.00 0.00 46.19 43.48 3gqe s LEU 57 CO -0.03 -0.05 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.06 3gqe s VAL 58 N 0.45 1.98 -1.32 1.68 1.01 0.63 -4.99 120.40 119.84 3gqe s VAL 58 Ca 0.37 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 3gqe s VAL 58 Cb -0.18 -1.77 0.13 0.00 0.00 0.00 0.00 36.38 34.55 3gqe s VAL 58 CO 0.19 0.53 2.22 0.29 0.00 0.00 0.00 175.10 178.34 3gqe n LYS 59 N 4.31 4.17 -1.76 2.72 5.02 -1.26 -0.94 118.16 130.41 3gqe n LYS 59 Ca -0.20 -3.41 -0.39 0.00 -2.02 0.00 0.00 58.31 52.29 3gqe n LYS 59 Cb 0.51 -2.75 0.04 0.00 -0.02 0.00 0.00 35.03 32.80 3gqe n LYS 59 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gqe s GLY 60 N 0.66 2.90 0.23 0.72 0.00 0.24 -4.92 107.32 107.14 3gqe s GLY 60 Ca 0.49 1.37 -0.07 0.00 0.00 0.00 0.00 44.72 46.51 3gqe s GLY 60 CO -0.06 1.91 1.85 0.00 0.00 0.00 0.00 173.10 176.80 3gqe h ALA 61 N 1.55 1.08 -0.04 3.20 0.00 -1.94 -2.33 119.26 120.77 3gqe h ALA 61 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gqe h ALA 61 Cb 1.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gqe h ALA 61 CO 0.58 0.26 0.00 0.00 0.00 0.00 0.00 179.25 180.09 3gqe n ALA 62 N -2.34 2.57 -3.62 0.00 0.00 -1.26 -4.95 120.51 110.91 3gqe n ALA 62 Ca 0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 53.06 3gqe n ALA 62 Cb 0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 3gqe n ALA 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3gqe s LYS 63 N -1.96 0.23 -0.16 0.00 2.20 -0.88 -5.10 119.74 114.07 3gqe s LYS 63 Ca 0.37 0.00 0.01 0.00 -0.36 0.00 0.00 55.97 56.00 3gqe s LYS 63 Cb 0.20 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.65 3gqe s LYS 63 CO 0.32 -0.08 -0.20 -1.01 -0.36 0.00 0.00 175.35 174.02 3gqe s HIS 64 N -1.47 2.63 -0.11 4.03 3.76 -1.26 -0.59 115.29 122.28 3gqe s HIS 64 Ca 0.07 -1.46 0.02 0.00 -0.15 0.00 0.00 55.06 53.54 3gqe s HIS 64 Cb -0.01 -1.82 0.01 0.00 1.11 0.00 0.00 32.58 31.87 3gqe s HIS 64 CO -0.05 -0.71 -0.18 0.42 -0.85 0.00 0.00 174.74 173.37 3gqe s ILE 65 N 1.14 1.67 -0.31 0.60 1.01 -0.12 -1.76 121.20 123.43 3gqe s ILE 65 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 3gqe s ILE 65 Cb -0.14 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3gqe s ILE 65 CO -0.09 0.47 0.39 -0.63 0.00 0.00 0.00 174.94 175.09 3gqe s ILE 66 N 0.79 5.14 -0.26 2.92 1.01 -0.35 -0.27 121.20 130.18 3gqe s ILE 66 Ca -0.10 0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 3gqe s ILE 66 Cb -0.16 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3gqe s ILE 66 CO 0.01 -0.01 0.28 -1.00 0.00 0.00 0.00 174.94 174.22 3gqe s HIS 67 N 2.11 3.26 -0.04 3.97 3.76 0.11 -0.08 115.29 128.37 3gqe s HIS 67 Ca 0.14 0.30 0.03 0.00 -0.15 0.00 0.00 55.06 55.38 3gqe s HIS 67 Cb -0.16 -2.46 0.01 0.00 1.11 0.00 0.00 32.58 31.08 3gqe s HIS 67 CO 0.11 -0.15 -0.11 0.00 -0.85 0.00 0.00 174.74 173.74 3gqe s ALA 68 N 1.77 1.08 -0.47 -1.40 0.00 -0.04 -0.70 121.76 122.01 3gqe s ALA 68 Ca 0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 3gqe s ALA 68 Cb -0.15 -0.43 0.10 0.00 0.00 0.00 0.00 23.12 22.63 3gqe s ALA 68 CO 0.09 0.15 0.35 0.08 0.00 0.00 0.00 175.76 176.44 3gqe s VAL 69 N 0.36 4.59 0.97 0.00 1.01 -0.92 -1.21 120.40 125.20 3gqe s VAL 69 Ca -0.07 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 60.29 3gqe s VAL 69 Cb -0.12 -3.88 0.18 0.00 0.00 0.00 0.00 36.38 32.56 3gqe s VAL 69 CO 0.02 -0.67 1.22 -0.83 0.00 0.00 0.00 175.10 174.84 3gqe s GLY 70 N 2.65 1.67 0.43 4.51 0.00 -1.26 0.31 107.32 115.62 3gqe s GLY 70 Ca 0.04 -0.91 -0.23 0.00 0.00 0.00 0.00 44.72 43.62 3gqe s GLY 70 CO 0.02 -0.21 1.05 2.56 0.00 0.00 0.00 173.10 176.52 3gqe s PRO 71 N -5.61 4.04 -0.48 2.90 0.04 -1.26 -4.67 135.00 129.95 3gqe s PRO 71 Ca 0.69 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 63.03 3gqe s PRO 71 Cb -0.09 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.09 3gqe s PRO 71 CO 0.53 -0.25 0.57 1.21 0.04 0.00 0.00 177.00 179.10 3gqe s ASN 72 N -1.66 6.22 0.00 6.66 2.47 -1.26 -4.69 114.94 122.67 3gqe s ASN 72 Ca 0.61 -0.86 0.17 0.00 0.42 0.00 0.00 52.86 53.20 3gqe s ASN 72 Cb -0.21 -2.27 0.75 0.00 -1.45 0.00 0.00 41.25 38.07 3gqe s ASN 72 CO 0.26 -0.80 1.54 0.49 -3.72 0.00 0.00 177.10 174.87 3gqe n PHE 73 N 5.98 0.00 0.28 0.43 3.01 0.23 -1.27 117.46 126.12 3gqe n PHE 73 Ca -0.07 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.55 3gqe n PHE 73 Cb 0.46 -0.47 0.78 0.00 -0.01 0.00 0.00 39.48 40.23 3gqe n PHE 73 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3gqe h ASN 74 N 0.00 0.00 0.00 4.37 2.35 -1.86 -3.37 115.58 117.07 3gqe h ASN 74 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3gqe h ASN 74 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3gqe h ASN 74 CO 0.00 0.07 -1.36 0.29 -1.65 0.00 0.00 177.43 174.78 3gqe n LYS 75 N -3.29 1.02 -4.11 0.81 5.02 -0.39 -5.06 118.16 112.16 3gqe n LYS 75 Ca -0.01 0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 3gqe n LYS 75 Cb 0.26 -1.13 -0.07 0.00 -0.02 0.00 0.00 35.03 34.07 3gqe n LYS 75 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3gqe s VAL 76 N -2.13 4.17 0.83 -0.18 -7.23 -0.70 -5.09 120.40 110.06 3gqe s VAL 76 Ca -0.07 -1.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.95 3gqe s VAL 76 Cb 0.02 -3.03 0.06 0.00 0.56 0.00 0.00 36.38 33.99 3gqe s VAL 76 CO 0.16 0.05 0.97 -1.54 -0.31 0.00 0.00 175.10 174.43 3gqe n SER 77 N 0.29 0.14 -0.32 4.85 3.41 -1.26 -4.67 113.62 116.06 3gqe n SER 77 Ca -0.10 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.13 3gqe n SER 77 Cb 0.53 -1.41 0.25 0.00 -0.26 0.00 0.00 64.21 63.31 3gqe n SER 77 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gqe h GLU 78 N -1.01 0.72 -0.06 4.33 4.39 -1.99 -0.38 114.58 120.59 3gqe h GLU 78 Ca -0.45 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.06 3gqe h GLU 78 Cb 1.30 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 3gqe h GLU 78 CO 0.43 0.48 -0.54 0.28 -1.16 0.00 0.00 179.01 178.50 3gqe h VAL 79 N 0.75 1.39 -0.43 3.13 2.07 -2.00 -2.51 116.25 118.66 3gqe h VAL 79 Ca 0.49 -1.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 3gqe h VAL 79 Cb 0.66 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3gqe h VAL 79 CO -0.34 0.57 -0.03 -0.08 0.02 0.00 0.00 177.57 177.71 3gqe h GLU 80 N 0.02 0.77 -0.71 1.57 4.57 -1.91 -2.75 114.58 116.14 3gqe h GLU 80 Ca -0.05 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 3gqe h GLU 80 Cb 1.21 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 3gqe h GLU 80 CO 0.11 0.86 0.29 0.78 -1.18 0.00 0.00 179.01 179.87 3gqe h GLY 81 N 0.60 1.14 0.72 1.92 0.00 -1.15 -1.46 103.07 104.85 3gqe h GLY 81 Ca 0.12 -0.62 0.04 0.00 0.00 0.00 0.00 47.33 46.87 3gqe h GLY 81 CO 0.03 0.59 0.24 -1.80 0.00 0.00 0.00 176.54 175.60 3gqe h ASP 82 N 1.02 0.34 -0.91 0.19 3.58 -1.44 0.12 116.42 119.32 3gqe h ASP 82 Ca 0.24 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.74 3gqe h ASP 82 Cb 0.21 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 3gqe h ASP 82 CO -0.02 0.24 0.60 0.50 -2.88 0.00 0.00 179.24 177.68 3gqe h LYS 83 N 0.48 1.16 -0.04 0.28 1.63 -1.13 -2.09 116.57 116.85 3gqe h LYS 83 Ca 0.22 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.78 3gqe h LYS 83 Cb 0.14 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 3gqe h LYS 83 CO -0.16 0.77 -0.73 1.96 -3.45 0.00 0.00 179.45 177.84 3gqe h GLN 84 N 1.19 0.25 -0.36 1.90 4.20 -0.81 -2.20 115.11 119.27 3gqe h GLN 84 Ca 0.35 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3gqe h GLN 84 Cb -0.06 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3gqe h GLN 84 CO -0.10 0.87 -0.00 1.25 -0.67 0.00 0.00 178.83 180.18 3gqe h LEU 85 N 0.16 0.62 -0.71 1.46 5.85 -0.51 0.91 115.31 123.09 3gqe h LEU 85 Ca -0.02 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3gqe h LEU 85 Cb 1.29 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3gqe h LEU 85 CO 0.11 0.78 0.39 0.00 -0.34 0.00 0.00 178.44 179.39 3gqe h ALA 86 N 0.86 0.92 -0.24 1.25 0.00 -1.38 -2.47 119.26 118.20 3gqe h ALA 86 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3gqe h ALA 86 Cb 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3gqe h ALA 86 CO 0.02 0.43 0.02 1.49 0.00 0.00 0.00 179.25 181.21 3gqe h GLU 87 N 0.98 0.10 -0.39 0.00 4.81 -1.07 -1.80 114.58 117.22 3gqe h GLU 87 Ca 0.25 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3gqe h GLU 87 Cb 0.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3gqe h GLU 87 CO -0.04 0.07 0.23 0.00 -0.73 0.00 0.00 179.01 178.54 3gqe h ALA 88 N 1.19 0.49 -0.37 2.92 0.00 -0.51 0.05 119.26 123.03 3gqe h ALA 88 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3gqe h ALA 88 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gqe h ALA 88 CO -0.17 -0.11 -0.09 1.88 0.00 0.00 0.00 179.25 180.77 3gqe h TYR 89 N 0.47 0.68 -0.23 0.00 0.05 -1.38 -2.44 116.97 114.11 3gqe h TYR 89 Ca 0.15 -0.10 -0.10 0.00 0.05 0.00 0.00 58.73 58.72 3gqe h TYR 89 Cb -0.00 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3gqe h TYR 89 CO -0.07 0.70 -0.31 1.49 -1.05 0.00 0.00 178.16 178.92 3gqe h GLU 90 N 0.58 0.46 -0.19 4.88 4.57 -0.74 -1.86 114.58 122.28 3gqe h GLU 90 Ca 0.11 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 3gqe h GLU 90 Cb 0.50 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3gqe h GLU 90 CO 0.03 0.72 -0.24 0.77 -1.18 0.00 0.00 179.01 179.11 3gqe h SER 91 N 0.40 0.35 -0.12 1.04 0.02 -0.70 -1.99 113.55 112.54 3gqe h SER 91 Ca 0.05 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3gqe h SER 91 Cb 0.74 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 3gqe h SER 91 CO 0.06 0.59 -0.01 0.40 -1.14 0.00 0.00 176.83 176.73 3gqe h ILE 92 N 0.32 1.26 -0.76 3.27 2.04 -1.19 -3.12 117.51 119.33 3gqe h ILE 92 Ca 0.05 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3gqe h ILE 92 Cb 0.59 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3gqe h ILE 92 CO 0.04 0.25 0.47 0.00 0.00 0.00 0.00 178.15 178.91 3gqe h ALA 93 N 0.74 0.97 -0.18 1.87 0.00 -1.13 -1.51 119.26 120.01 3gqe h ALA 93 Ca 0.03 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3gqe h ALA 93 Cb 0.38 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3gqe h ALA 93 CO 0.01 0.42 -0.11 -0.22 0.00 0.00 0.00 179.25 179.34 3gqe h LYS 94 N 1.03 -0.10 -0.54 0.00 3.11 -1.45 0.24 116.57 118.86 3gqe h LYS 94 Ca 0.27 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.11 3gqe h LYS 94 Cb -0.07 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.16 3gqe h LYS 94 CO -0.05 -0.07 0.29 0.82 -2.81 0.00 0.00 179.45 177.62 3gqe h ILE 95 N -0.11 1.19 -0.50 2.00 2.04 -1.43 0.69 117.51 121.38 3gqe h ILE 95 Ca 0.11 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3gqe h ILE 95 Cb 0.27 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 3gqe h ILE 95 CO -0.25 0.20 0.14 0.58 0.00 0.00 0.00 178.15 178.82 3gqe h VAL 96 N 0.73 0.77 -0.01 1.67 2.07 -0.87 -2.13 116.25 118.48 3gqe h VAL 96 Ca 0.19 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3gqe h VAL 96 Cb 0.07 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3gqe h VAL 96 CO -0.03 0.05 -0.00 0.78 0.02 0.00 0.00 177.57 178.40 3gqe h ASN 97 N 0.30 0.01 0.21 0.57 2.35 -0.71 -0.90 115.58 117.42 3gqe h ASN 97 Ca 0.25 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3gqe h ASN 97 Cb 0.30 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3gqe h ASN 97 CO -0.29 0.33 -0.05 0.44 -1.65 0.00 0.00 177.43 176.21 3gqe h ASP 98 N -0.30 0.00 -0.26 5.81 3.32 -0.71 -0.91 116.42 123.37 3gqe h ASP 98 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gqe h ASP 98 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3gqe h ASP 98 CO 0.00 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.16 3gqe n ASN 99 N -3.57 2.92 -4.14 6.45 3.02 -0.81 -5.00 115.26 114.13 3gqe n ASN 99 Ca -0.02 -1.85 -0.30 0.00 -0.03 0.00 0.00 54.58 52.37 3gqe n ASN 99 Cb 0.16 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 3gqe n ASN 99 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gqe n ASN 100 N 1.06 -0.19 -4.74 6.41 3.02 -0.35 -4.91 115.26 115.55 3gqe n ASN 100 Ca 0.14 -1.17 -0.41 0.00 -0.03 0.00 0.00 54.58 53.11 3gqe n ASN 100 Cb 0.48 -2.22 -0.03 0.00 -0.61 0.00 0.00 39.78 37.41 3gqe n ASN 100 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gqe s TYR 101 N -4.12 3.18 0.02 3.10 2.02 -0.43 -4.94 117.35 116.18 3gqe s TYR 101 Ca 0.06 1.15 0.05 0.00 -0.37 0.00 0.00 57.07 57.96 3gqe s TYR 101 Cb -0.03 -3.67 -0.24 0.00 -0.40 0.00 0.00 41.96 37.62 3gqe s TYR 101 CO 0.95 -2.14 0.91 0.87 -1.57 0.00 0.00 175.55 174.57 3gqe h LYS 102 N 5.30 0.10 -3.72 -0.62 1.79 -1.91 -3.40 116.57 114.11 3gqe h LYS 102 Ca -0.45 -0.17 -0.15 0.00 -2.18 0.00 0.00 60.65 57.70 3gqe h LYS 102 Cb 1.22 0.06 -0.21 0.00 -1.58 0.00 0.00 32.23 31.72 3gqe h LYS 102 CO 0.78 0.89 -0.58 -1.54 -1.08 0.00 0.00 179.45 177.91 3gqe s SER 103 N -6.63 0.12 -0.15 0.86 1.04 -1.26 -0.90 113.70 106.79 3gqe s SER 103 Ca -0.05 -0.35 -0.08 0.00 0.48 0.00 0.00 55.95 55.95 3gqe s SER 103 Cb 0.08 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.42 3gqe s SER 103 CO 0.83 -0.35 0.36 0.54 0.98 0.00 0.00 173.24 175.60 3gqe s VAL 104 N -1.46 -0.07 -0.18 5.02 0.11 -0.67 -2.01 120.40 121.15 3gqe s VAL 104 Ca -0.15 0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 3gqe s VAL 104 Cb -0.08 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3gqe s VAL 104 CO 0.00 0.05 0.41 0.00 -3.33 0.00 0.00 175.10 172.23 3gqe s ALA 105 N 1.44 3.54 -0.04 1.54 0.00 -0.20 -1.86 121.76 126.19 3gqe s ALA 105 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3gqe s ALA 105 Cb -0.09 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.44 3gqe s ALA 105 CO -0.11 -0.19 -0.00 0.42 0.00 0.00 0.00 175.76 175.87 3gqe s ILE 106 N 1.06 0.23 0.82 0.00 1.01 -0.02 -1.14 121.20 123.15 3gqe s ILE 106 Ca 0.20 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.86 3gqe s ILE 106 Cb -0.15 -0.33 0.15 0.00 0.01 0.00 0.00 42.46 42.15 3gqe s ILE 106 CO 0.08 0.17 1.13 -2.16 0.00 0.00 0.00 174.94 174.15 3gqe s PRO 107 N 1.15 1.31 -0.68 2.79 0.04 -1.26 -0.67 135.00 137.68 3gqe s PRO 107 Ca -0.08 -0.76 -0.24 0.00 0.04 0.00 0.00 61.00 59.97 3gqe s PRO 107 Cb -0.13 -2.12 0.06 0.00 0.04 0.00 0.00 34.50 32.34 3gqe s PRO 107 CO -0.02 -1.81 1.04 -0.51 0.04 0.00 0.00 177.00 175.74 3gqe s LEU 108 N -5.45 4.09 0.35 -3.56 1.43 -1.26 -4.88 118.68 109.40 3gqe s LEU 108 Ca 0.69 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 52.66 3gqe s LEU 108 Cb -0.05 -2.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.59 3gqe s LEU 108 CO 0.48 -1.53 1.32 0.18 0.23 0.00 0.00 176.35 177.03 3gqe n LEU 109 N 8.09 3.76 -1.30 1.79 4.77 -1.26 -3.11 117.00 129.75 3gqe n LEU 109 Ca -0.02 1.21 -0.13 0.00 -0.03 0.00 0.00 56.01 57.04 3gqe n LEU 109 Cb 0.46 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 3gqe n LEU 109 CO 0.66 -0.37 -0.15 -1.20 -1.33 0.00 0.00 177.39 174.99 3gqe n SER 110 N 0.72 -4.32 -0.62 -1.43 7.64 -1.26 -4.80 113.62 109.54 3gqe n SER 110 Ca 0.04 0.13 0.07 0.00 1.01 0.00 0.00 58.87 60.12 3gqe n SER 110 Cb 0.36 -3.29 0.09 0.00 -1.01 0.00 0.00 64.21 60.36 3gqe n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3gqe n THR 111 N -3.42 0.22 0.00 0.44 -2.24 -1.18 -3.21 114.28 104.88 3gqe n THR 111 Ca -0.15 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3gqe n THR 111 Cb 0.54 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3gqe n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqe n GLY 112 N 0.80 0.98 0.27 3.38 0.00 -1.26 -4.74 105.19 104.61 3gqe n GLY 112 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3gqe n GLY 112 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gqe h ILE 113 N 0.00 0.62 -0.05 -0.61 2.10 -2.01 -1.88 117.51 115.68 3gqe h ILE 113 Ca 0.00 -0.42 0.00 0.00 1.08 0.00 0.00 64.86 65.52 3gqe h ILE 113 Cb 0.00 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 3gqe h ILE 113 CO 0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 3gqe n PHE 114 N -3.76 0.05 0.25 2.19 3.01 -1.26 -4.38 117.46 113.56 3gqe n PHE 114 Ca -0.02 -0.02 0.14 0.00 1.01 0.00 0.00 57.45 58.56 3gqe n PHE 114 Cb 0.20 0.00 0.52 0.00 -0.01 0.00 0.00 39.48 40.20 3gqe n PHE 114 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gqe h SER 115 N 2.72 0.00 -1.96 4.37 4.64 -1.30 0.67 113.55 122.69 3gqe h SER 115 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3gqe h SER 115 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3gqe h SER 115 CO 0.00 0.06 -0.35 0.61 -0.87 0.00 0.00 176.83 176.28 3gqe n GLY 116 N 0.29 -0.19 3.30 -0.77 0.00 -1.26 -3.50 105.19 103.05 3gqe n GLY 116 Ca 0.01 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 3gqe n GLY 116 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gqe n ASN 117 N -0.63 -6.25 -4.26 1.61 5.15 -1.26 -4.91 115.26 104.72 3gqe n ASN 117 Ca -0.16 -0.41 -0.22 0.00 -0.60 0.00 0.00 54.58 53.18 3gqe n ASN 117 Cb 0.62 -4.96 -0.12 0.00 -0.53 0.00 0.00 39.78 34.79 3gqe n ASN 117 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3gqe s LYS 118 N -6.01 1.06 -0.25 1.20 -0.14 -1.23 -5.12 119.74 109.25 3gqe s LYS 118 Ca 0.45 -1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 53.64 3gqe s LYS 118 Cb -0.20 -1.24 -0.01 0.00 -1.68 0.00 0.00 37.83 34.71 3gqe s LYS 118 CO 0.55 0.28 1.30 0.34 -0.76 0.00 0.00 175.35 177.07 3gqe s ASP 119 N -1.93 6.75 -0.11 2.83 -1.08 -1.26 -4.83 116.67 117.04 3gqe s ASP 119 Ca 0.05 1.39 0.16 0.00 -0.52 0.00 0.00 52.55 53.63 3gqe s ASP 119 Cb -0.10 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.07 3gqe s ASP 119 CO 0.04 -0.98 1.12 0.54 0.52 0.00 0.00 175.17 176.41 3gqe n ARG 120 N 7.09 1.39 -0.03 4.34 1.74 -1.26 -4.82 116.66 125.11 3gqe n ARG 120 Ca 0.15 -2.36 -0.12 0.00 -0.77 0.00 0.00 57.85 54.74 3gqe n ARG 120 Cb 0.46 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.45 3gqe n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gqe h LEU 121 N 0.00 -1.44 -0.01 0.55 6.46 -1.94 0.24 115.31 119.16 3gqe h LEU 121 Ca 0.00 0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3gqe h LEU 121 Cb 0.97 0.59 -0.00 0.00 -0.73 0.00 0.00 40.66 41.49 3gqe h LEU 121 CO 0.00 -0.43 0.00 0.74 -0.62 0.00 0.00 178.44 178.14 3gqe h THR 122 N -0.48 1.18 -0.41 1.05 2.02 -1.99 0.33 112.91 114.61 3gqe h THR 122 Ca 0.08 -0.52 0.08 0.00 0.77 0.00 0.00 66.41 66.82 3gqe h THR 122 Cb 0.63 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 68.49 3gqe h THR 122 CO -0.45 0.14 -0.02 -0.61 0.37 0.00 0.00 175.52 174.95 3gqe h GLN 123 N -0.20 0.08 -0.12 6.66 4.15 -1.87 -1.51 115.11 122.29 3gqe h GLN 123 Ca 0.00 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 3gqe h GLN 123 Cb 0.22 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3gqe h GLN 123 CO -0.00 0.06 -0.15 1.03 -1.93 0.00 0.00 178.83 177.84 3gqe h SER 124 N 0.09 0.34 -0.60 -0.69 0.87 -0.78 -2.99 113.55 109.79 3gqe h SER 124 Ca 0.20 -0.50 0.12 0.00 -1.23 0.00 0.00 61.79 60.38 3gqe h SER 124 Cb 0.29 -0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 62.07 3gqe h SER 124 CO -0.35 0.77 0.10 0.25 -0.53 0.00 0.00 176.83 177.07 3gqe h LEU 125 N -0.08 -0.05 -0.77 2.23 5.85 -0.87 -1.72 115.31 119.90 3gqe h LEU 125 Ca 0.02 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3gqe h LEU 125 Cb 0.68 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3gqe h LEU 125 CO 0.03 -0.02 0.30 0.78 -0.34 0.00 0.00 178.44 179.20 3gqe h ASN 126 N 0.23 1.07 -0.01 1.25 2.35 -1.25 0.12 115.58 119.34 3gqe h ASN 126 Ca 0.32 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3gqe h ASN 126 Cb 0.48 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3gqe h ASN 126 CO -0.43 0.96 -0.17 0.45 -1.65 0.00 0.00 177.43 176.59 3gqe h HIS 127 N 1.12 0.38 0.11 1.19 3.86 -1.41 -2.28 115.15 118.12 3gqe h HIS 127 Ca 0.26 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3gqe h HIS 127 Cb 0.22 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3gqe h HIS 127 CO 0.02 0.51 -0.05 1.25 0.86 0.00 0.00 177.93 180.52 3gqe h LEU 128 N 0.32 -0.13 -0.75 2.43 6.46 -0.24 -2.68 115.31 120.73 3gqe h LEU 128 Ca 0.06 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 3gqe h LEU 128 Cb 0.50 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 3gqe h LEU 128 CO 0.03 0.20 0.49 -0.07 -0.62 0.00 0.00 178.44 178.47 3gqe h LEU 129 N -0.46 0.87 -0.46 2.25 3.38 -0.85 -0.89 115.31 119.14 3gqe h LEU 129 Ca -0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3gqe h LEU 129 Cb 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3gqe h LEU 129 CO 0.02 0.64 0.30 0.74 0.09 0.00 0.00 178.44 180.23 3gqe h THR 130 N 1.02 1.10 -0.12 0.22 2.02 -1.37 -0.51 112.91 115.27 3gqe h THR 130 Ca 0.28 -0.21 -0.16 0.00 0.77 0.00 0.00 66.41 67.09 3gqe h THR 130 Cb -0.11 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3gqe h THR 130 CO -0.06 0.11 -0.54 0.00 0.37 0.00 0.00 175.52 175.40 3gqe h ALA 131 N 1.18 0.23 0.00 6.16 0.00 -1.36 -3.25 119.26 122.21 3gqe h ALA 131 Ca 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gqe h ALA 131 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gqe h ALA 131 CO -0.05 0.44 0.00 -0.07 0.00 0.00 0.00 179.25 179.57 3gqe h LEU 132 N 0.22 0.00 0.00 0.00 -0.00 -1.09 -2.39 115.31 112.04 3gqe h LEU 132 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3gqe h LEU 132 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 3gqe h LEU 132 CO 0.11 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 179.02 3gqe n ASP 133 N -2.60 0.00 -1.06 -0.43 8.00 -0.21 -1.85 116.55 118.40 3gqe n ASP 133 Ca 0.04 0.47 0.11 0.00 0.71 0.00 0.00 54.79 56.12 3gqe n ASP 133 Cb 0.41 -0.48 0.26 0.00 -0.02 0.00 0.00 41.12 41.30 3gqe n ASP 133 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3gqe n THR 134 N -1.48 0.57 -4.58 -3.53 -2.24 -0.90 -4.73 114.28 97.40 3gqe n THR 134 Ca 0.01 -0.71 -0.27 0.00 -2.27 0.00 0.00 64.05 60.81 3gqe n THR 134 Cb 0.06 0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 3gqe n THR 134 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gqe s THR 135 N -1.43 2.08 -2.13 4.28 -4.23 -0.77 -4.93 115.64 108.51 3gqe s THR 135 Ca 0.39 -2.05 0.22 0.00 -1.18 0.00 0.00 61.69 59.07 3gqe s THR 135 Cb 0.22 -2.90 0.55 0.00 1.34 0.00 0.00 72.50 71.71 3gqe s THR 135 CO 0.30 -0.06 1.48 0.47 -0.54 0.00 0.00 174.62 176.27 3gqe n ASP 136 N -0.93 3.51 -4.80 3.99 8.00 -1.26 -2.94 116.55 122.13 3gqe n ASP 136 Ca -0.05 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.13 3gqe n ASP 136 Cb 0.66 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 3gqe n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gqe s ALA 137 N -1.22 2.79 -0.33 2.24 0.00 -1.26 -4.65 121.76 119.32 3gqe s ALA 137 Ca 0.43 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.73 3gqe s ALA 137 Cb 0.23 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 20.09 3gqe s ALA 137 CO 0.31 -0.59 0.73 -0.51 0.00 0.00 0.00 175.76 175.70 3gqe s ASP 138 N -2.27 6.56 -0.29 0.00 1.01 -0.08 -1.55 116.67 120.06 3gqe s ASP 138 Ca 0.67 0.46 -0.08 0.00 0.71 0.00 0.00 52.55 54.31 3gqe s ASP 138 Cb -0.17 -2.38 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 3gqe s ASP 138 CO 0.28 -0.61 0.10 -0.69 0.21 0.00 0.00 175.17 174.45 3gqe s VAL 139 N 2.88 4.21 -0.39 -1.27 1.01 0.18 -1.67 120.40 125.35 3gqe s VAL 139 Ca 0.29 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 3gqe s VAL 139 Cb -0.14 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3gqe s VAL 139 CO 0.14 0.14 0.67 0.00 0.00 0.00 0.00 175.10 176.05 3gqe s ALA 140 N 1.56 3.41 -0.35 5.51 0.00 -0.78 -1.76 121.76 129.35 3gqe s ALA 140 Ca 0.04 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 3gqe s ALA 140 Cb -0.17 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 3gqe s ALA 140 CO 0.04 -1.53 0.58 0.42 0.00 0.00 0.00 175.76 175.26 3gqe s ILE 141 N 2.85 4.95 0.07 0.00 1.01 -0.22 -0.84 121.20 129.02 3gqe s ILE 141 Ca 0.25 0.48 -0.16 0.00 0.00 0.00 0.00 60.65 61.22 3gqe s ILE 141 Cb -0.14 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 3gqe s ILE 141 CO 0.17 -0.27 0.51 -0.31 0.00 0.00 0.00 174.94 175.04 3gqe s TYR 142 N 2.57 3.73 0.06 3.97 1.51 0.15 -0.75 117.35 128.59 3gqe s TYR 142 Ca 0.22 1.13 -0.07 0.00 -1.01 0.00 0.00 57.07 57.33 3gqe s TYR 142 Cb -0.15 -2.40 -0.01 0.00 -0.11 0.00 0.00 41.96 39.30 3gqe s TYR 142 CO 0.14 0.56 0.15 0.00 -1.11 0.00 0.00 175.55 175.29 3gqe n ARG 144 N 0.40 0.72 -3.29 0.00 3.00 -1.26 -1.52 116.66 114.70 3gqe n ARG 144 Ca -0.17 0.25 -0.38 0.00 -0.00 0.00 0.00 57.85 57.55 3gqe n ARG 144 Cb 0.60 -1.71 -0.06 0.00 0.00 0.00 0.00 32.46 31.30 3gqe n ARG 144 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3gqe s ASP 145 N -6.70 6.90 0.38 6.15 2.15 -1.26 -4.74 116.67 119.54 3gqe s ASP 145 Ca -0.19 1.07 0.14 0.00 0.43 0.00 0.00 52.55 54.00 3gqe s ASP 145 Cb 0.07 -2.33 0.74 0.00 -0.30 0.00 0.00 42.92 41.10 3gqe s ASP 145 CO 0.77 0.14 1.82 0.50 -0.17 0.00 0.00 175.17 178.24 3gqe h LYS 146 N 5.55 0.00 -0.34 4.34 3.64 -2.00 -1.94 116.57 125.82 3gqe h LYS 146 Ca -0.46 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.75 3gqe h LYS 146 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3gqe h LYS 146 CO 0.69 0.37 -0.45 0.87 -2.27 0.00 0.00 179.45 178.66 3gqe h LYS 147 N 0.00 0.90 -0.84 1.90 1.57 -2.01 -3.17 116.57 114.92 3gqe h LYS 147 Ca -0.00 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 3gqe h LYS 147 Cb 0.68 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 3gqe h LYS 147 CO 0.05 1.17 0.47 -1.49 -0.57 0.00 0.00 179.45 179.08 3gqe h TRP 148 N 0.71 1.14 -0.41 -1.35 4.06 -1.89 -2.75 115.95 115.45 3gqe h TRP 148 Ca 0.04 -0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.04 3gqe h TRP 148 Cb 1.05 -0.37 -0.06 0.00 -1.00 0.00 0.00 29.16 28.79 3gqe h TRP 148 CO 0.07 0.78 0.07 1.49 -3.56 0.00 0.00 178.44 177.28 3gqe h GLU 149 N 1.17 0.18 -0.59 0.49 4.81 -1.34 0.32 114.58 119.63 3gqe h GLU 149 Ca 0.30 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3gqe h GLU 149 Cb 0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3gqe h GLU 149 CO -0.05 0.12 0.12 0.52 -0.73 0.00 0.00 179.01 178.99 3gqe h MET 150 N 0.19 0.96 -0.47 1.92 2.86 -1.48 -1.06 114.93 117.84 3gqe h MET 150 Ca 0.20 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3gqe h MET 150 Cb 0.26 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3gqe h MET 150 CO -0.28 0.90 0.13 1.15 1.06 0.00 0.00 176.91 179.87 3gqe h THR 151 N 0.86 1.23 -0.36 2.22 2.02 -1.21 -2.24 112.91 115.43 3gqe h THR 151 Ca 0.18 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3gqe h THR 151 Cb 0.39 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3gqe h THR 151 CO 0.01 0.28 0.23 -0.07 0.37 0.00 0.00 175.52 176.34 3gqe h LEU 152 N 0.62 0.39 -1.15 2.58 3.38 -0.14 -1.49 115.31 119.50 3gqe h LEU 152 Ca 0.15 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3gqe h LEU 152 Cb 0.29 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3gqe h LEU 152 CO -0.00 0.28 0.58 0.11 0.09 0.00 0.00 178.44 179.50 3gqe h LYS 153 N 0.47 1.04 0.17 1.13 1.57 -1.10 -0.26 116.57 119.59 3gqe h LYS 153 Ca 0.14 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3gqe h LYS 153 Cb -0.03 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.05 3gqe h LYS 153 CO -0.04 0.69 -0.08 1.49 -0.57 0.00 0.00 179.45 180.93 3gqe h GLU 154 N 1.07 -0.22 -0.66 3.15 4.81 -1.13 -0.17 114.58 121.43 3gqe h GLU 154 Ca 0.36 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.66 3gqe h GLU 154 Cb 0.09 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3gqe h GLU 154 CO -0.12 0.07 0.39 0.00 -0.73 0.00 0.00 179.01 178.62 3gqe h ALA 155 N 0.24 0.88 -0.57 2.92 0.00 -1.09 -0.68 119.26 120.96 3gqe h ALA 155 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3gqe h ALA 155 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3gqe h ALA 155 CO 0.04 0.09 0.11 0.28 0.00 0.00 0.00 179.25 179.77 3gqe h VAL 156 N 0.73 1.24 0.00 0.00 2.07 -0.90 -2.91 116.25 116.47 3gqe h VAL 156 Ca 0.29 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 3gqe h VAL 156 Cb 0.13 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3gqe h VAL 156 CO -0.15 0.34 -0.59 0.00 0.02 0.00 0.00 177.57 177.19 3gqe h ALA 157 N 1.25 0.81 -0.01 1.67 0.00 -0.35 -3.21 119.26 119.42 3gqe h ALA 157 Ca 0.18 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3gqe h ALA 157 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gqe h ALA 157 CO 0.00 0.73 -0.21 -0.09 0.00 0.00 0.00 179.25 179.69 3gqe h ARG 158 N 0.00 0.02 -6.75 0.00 2.43 -0.94 -3.46 114.38 105.69 3gqe h ARG 158 Ca -0.01 -0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.60 3gqe h ARG 158 Cb 1.21 -0.00 0.18 0.00 -0.42 0.00 0.00 29.97 30.94 3gqe h ARG 158 CO 0.08 0.23 -0.22 0.54 -1.51 0.00 0.00 179.97 179.09 3gqe n ARG 159 N -4.28 0.39 -1.00 0.20 1.74 -1.21 -5.12 116.66 107.38 3gqe n ARG 159 Ca -0.02 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3gqe n ARG 159 Cb 0.27 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3gqe n ARG 159 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50