#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqd s ASN 18 N 0.00 7.01 0.12 4.39 -0.87 -1.26 0.26 114.94 124.59 3hqd s ASN 18 Ca 0.00 2.26 -0.33 0.00 -1.57 0.00 0.00 52.86 53.22 3hqd s ASN 18 Cb 0.00 -2.60 -0.13 0.00 -0.02 0.00 0.00 41.25 38.50 3hqd s ASN 18 CO 0.00 -0.45 1.69 -0.38 -2.57 0.00 0.00 177.10 175.39 3hqd n ILE 19 N 2.84 0.16 -2.75 0.60 5.41 0.65 -4.87 119.36 121.41 3hqd n ILE 19 Ca 0.06 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.36 3hqd n ILE 19 Cb 0.44 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.59 3hqd n ILE 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3hqd s GLN 20 N 1.79 4.50 -0.11 0.38 0.74 -0.83 -4.53 119.66 121.60 3hqd s GLN 20 Ca 0.81 1.34 0.01 0.00 0.05 0.00 0.00 55.36 57.57 3hqd s GLN 20 Cb -0.62 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.02 3hqd s GLN 20 CO 0.39 -0.13 -0.12 0.08 -0.55 0.00 0.00 175.29 174.97 3hqd s VAL 21 N 1.33 1.28 0.19 1.34 1.01 -1.26 -0.12 120.40 124.17 3hqd s VAL 21 Ca 0.49 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.08 3hqd s VAL 21 Cb -0.20 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3hqd s VAL 21 CO 0.23 0.40 -0.19 0.68 0.00 0.00 0.00 175.10 176.22 3hqd s VAL 22 N 1.24 2.04 -0.04 2.92 -7.23 0.23 -1.45 120.40 118.11 3hqd s VAL 22 Ca -0.02 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.16 3hqd s VAL 22 Cb -0.14 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 3hqd s VAL 22 CO -0.04 -0.31 -0.25 -0.69 -0.31 0.00 0.00 175.10 173.50 3hqd s VAL 23 N -2.13 2.01 -0.17 1.32 1.01 -0.74 -0.53 120.40 121.16 3hqd s VAL 23 Ca 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3hqd s VAL 23 Cb -0.06 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.68 3hqd s VAL 23 CO 0.09 0.56 -0.10 -0.60 0.00 0.00 0.00 175.10 175.05 3hqd s ARG 24 N -0.34 1.90 -0.20 2.72 3.52 0.54 0.23 118.95 127.31 3hqd s ARG 24 Ca 0.02 -0.66 -0.13 0.00 -0.13 0.00 0.00 55.73 54.83 3hqd s ARG 24 Cb -0.12 -2.19 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 3hqd s ARG 24 CO 0.02 -0.38 0.28 0.00 -0.81 0.00 0.00 175.30 174.41 3hqd s ARG 26 N 0.96 2.37 0.80 0.00 1.70 -0.94 -2.28 118.95 121.55 3hqd s ARG 26 Ca 0.14 -0.05 -0.12 0.00 -0.47 0.00 0.00 55.73 55.23 3hqd s ARG 26 Cb -0.14 -2.13 0.07 0.00 -0.57 0.00 0.00 34.95 32.19 3hqd s ARG 26 CO 0.05 -1.19 1.14 -1.25 -1.08 0.00 0.00 175.30 172.98 3hqd s PRO 27 N -5.28 2.08 0.59 3.89 0.04 -1.26 -4.31 135.00 130.76 3hqd s PRO 27 Ca 0.59 0.29 -0.20 0.00 0.04 0.00 0.00 61.00 61.72 3hqd s PRO 27 Cb -0.11 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3hqd s PRO 27 CO 0.46 -1.54 1.32 -0.06 0.04 0.00 0.00 177.00 177.22 3hqd s PHE 28 N -3.43 2.20 0.43 0.56 0.40 -1.26 -4.83 117.98 112.05 3hqd s PHE 28 Ca 0.61 1.43 0.08 0.00 -0.60 0.00 0.00 56.93 58.45 3hqd s PHE 28 Cb -0.12 -3.73 -0.01 0.00 0.51 0.00 0.00 43.02 39.67 3hqd s PHE 28 CO 0.51 -2.86 0.44 0.54 0.70 0.00 0.00 175.22 174.55 3hqd s ASN 29 N -1.20 5.18 0.12 1.36 2.20 -1.26 -4.99 114.94 116.34 3hqd s ASN 29 Ca 0.77 -0.69 -0.24 0.00 -0.94 0.00 0.00 52.86 51.76 3hqd s ASN 29 Cb -0.38 -0.52 -0.06 0.00 -2.00 0.00 0.00 41.25 38.29 3hqd s ASN 29 CO 0.43 -0.72 1.67 -0.07 -2.94 0.00 0.00 177.10 175.47 3hqd h LEU 30 N 0.90 -0.48 -1.54 3.54 3.38 -2.00 -2.61 115.31 116.50 3hqd h LEU 30 Ca -0.40 0.07 0.17 0.00 0.09 0.00 0.00 57.88 57.81 3hqd h LEU 30 Cb 1.27 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 3hqd h LEU 30 CO 0.54 -0.22 0.54 0.00 0.09 0.00 0.00 178.44 179.39 3hqd h ALA 31 N 0.70 2.14 -0.24 1.53 0.00 -1.97 0.22 119.26 121.63 3hqd h ALA 31 Ca 0.06 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3hqd h ALA 31 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hqd h ALA 31 CO -0.18 -0.38 -0.48 0.93 0.00 0.00 0.00 179.25 179.15 3hqd h GLU 32 N 0.42 0.75 -0.25 0.00 5.08 -1.88 -1.53 114.58 117.18 3hqd h GLU 32 Ca 0.41 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3hqd h GLU 32 Cb 0.97 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3hqd h GLU 32 CO -0.14 1.11 -0.05 0.00 -1.00 0.00 0.00 179.01 178.93 3hqd h ARG 33 N 0.49 0.47 -0.18 2.33 2.47 -0.96 -2.34 114.38 116.65 3hqd h ARG 33 Ca 0.01 -0.17 0.05 0.00 -1.26 0.00 0.00 59.98 58.61 3hqd h ARG 33 Cb 1.09 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.37 3hqd h ARG 33 CO 0.11 0.68 0.13 -0.22 0.56 0.00 0.00 179.97 181.24 3hqd h LYS 34 N 0.22 0.00 -0.22 0.04 1.63 -0.58 0.14 116.57 117.80 3hqd h LYS 34 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3hqd h LYS 34 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3hqd h LYS 34 CO 0.02 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.02 3hqd n ALA 35 N -2.54 2.50 -2.57 5.00 0.00 -0.58 -4.91 120.51 117.41 3hqd n ALA 35 Ca 0.01 -0.54 -0.18 0.00 0.00 0.00 0.00 53.44 52.74 3hqd n ALA 35 Cb 0.27 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 3hqd n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hqd n SER 36 N 0.35 -5.07 -4.78 0.00 7.64 0.50 -4.94 113.62 107.32 3hqd n SER 36 Ca 0.14 -0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.66 3hqd n SER 36 Cb 0.31 -4.22 -0.03 0.00 -1.01 0.00 0.00 64.21 59.26 3hqd n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hqd s ALA 37 N -2.90 3.00 0.47 -0.43 0.00 -0.91 -5.04 121.76 115.95 3hqd s ALA 37 Ca 0.07 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.88 3hqd s ALA 37 Cb -0.03 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3hqd s ALA 37 CO 0.09 -0.40 0.57 -3.38 0.00 0.00 0.00 175.76 172.64 3hqd s HIS 38 N -1.67 2.37 -0.02 0.00 -3.43 -1.26 -4.81 115.29 106.46 3hqd s HIS 38 Ca 0.62 -0.53 -0.22 0.00 -0.80 0.00 0.00 55.06 54.12 3hqd s HIS 38 Cb -0.24 -2.26 -0.05 0.00 -1.43 0.00 0.00 32.58 28.60 3hqd s HIS 38 CO 0.29 -0.54 0.66 0.45 -2.00 0.00 0.00 174.74 173.60 3hqd s SER 39 N -4.38 7.01 0.00 7.38 0.15 -1.26 0.23 113.70 122.83 3hqd s SER 39 Ca 0.54 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.39 3hqd s SER 39 Cb -0.07 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3hqd s SER 39 CO 0.33 -0.00 0.92 2.30 1.20 0.00 0.00 173.24 177.99 3hqd n ILE 40 N 3.18 0.84 -5.06 6.45 -5.35 -0.52 -4.87 119.36 114.04 3hqd n ILE 40 Ca -0.04 -0.85 -0.32 0.00 -0.27 0.00 0.00 62.75 61.27 3hqd n ILE 40 Cb 0.51 0.58 -0.15 0.00 -1.74 0.00 0.00 39.64 38.84 3hqd n ILE 40 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3hqd s VAL 41 N -0.84 2.57 -0.09 7.28 1.01 -1.23 0.13 120.40 129.23 3hqd s VAL 41 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3hqd s VAL 41 Cb 0.00 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3hqd s VAL 41 CO 0.00 0.57 -0.05 -1.61 0.00 0.00 0.00 175.10 174.01 3hqd s GLU 42 N -0.29 1.11 -0.12 2.72 2.02 0.97 -4.98 118.70 120.13 3hqd s GLU 42 Ca 0.01 -0.11 -0.04 0.00 0.02 0.00 0.00 54.97 54.85 3hqd s GLU 42 Cb -0.13 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.81 3hqd s GLU 42 CO 0.03 -0.24 0.02 0.00 0.02 0.00 0.00 175.26 175.09 3hqd s ASP 44 N -0.41 3.77 0.52 0.00 -1.08 0.00 -4.94 116.67 114.53 3hqd s ASP 44 Ca 0.08 -2.65 0.17 0.00 -0.52 0.00 0.00 52.55 49.63 3hqd s ASP 44 Cb -0.12 -1.13 1.29 0.00 -1.46 0.00 0.00 42.92 41.51 3hqd s ASP 44 CO 0.02 -0.27 2.15 1.55 0.52 0.00 0.00 175.17 179.14 3hqd h PRO 45 N 6.74 0.00 0.27 4.34 0.13 -1.80 0.37 132.00 142.05 3hqd h PRO 45 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3hqd h PRO 45 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3hqd h PRO 45 CO 0.51 0.01 -0.13 0.28 -0.23 0.00 0.00 178.00 178.45 3hqd h VAL 46 N 0.00 0.77 0.00 1.56 2.07 -1.94 -2.98 116.25 115.74 3hqd h VAL 46 Ca -0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3hqd h VAL 46 Cb 0.02 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3hqd h VAL 46 CO 0.00 0.12 0.00 0.54 0.02 0.00 0.00 177.57 178.25 3hqd n ARG 47 N -5.11 0.32 -3.49 1.57 1.74 -1.08 -4.90 116.66 105.71 3hqd n ARG 47 Ca -0.09 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.77 3hqd n ARG 47 Cb 0.25 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.26 3hqd n ARG 47 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hqd n LYS 48 N -1.33 -7.38 -4.45 5.56 5.02 0.12 -4.86 118.16 110.84 3hqd n LYS 48 Ca 0.12 0.82 -0.24 0.00 -2.02 0.00 0.00 58.31 57.00 3hqd n LYS 48 Cb 0.25 -5.80 -0.10 0.00 -0.02 0.00 0.00 35.03 29.36 3hqd n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hqd s GLU 49 N -6.20 1.62 -0.07 1.97 2.02 -0.60 -0.51 118.70 116.93 3hqd s GLU 49 Ca 0.53 -1.72 -0.01 0.00 0.02 0.00 0.00 54.97 53.79 3hqd s GLU 49 Cb -0.24 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.33 3hqd s GLU 49 CO 0.66 0.32 -0.01 0.08 0.02 0.00 0.00 175.26 176.33 3hqd s VAL 50 N -2.49 0.46 -0.10 2.63 1.01 0.27 -0.82 120.40 121.37 3hqd s VAL 50 Ca 0.28 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3hqd s VAL 50 Cb -0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3hqd s VAL 50 CO 0.14 0.27 -0.14 -0.44 0.00 0.00 0.00 175.10 174.92 3hqd s SER 51 N 1.85 3.94 -0.14 3.32 0.01 0.10 -0.62 113.70 122.16 3hqd s SER 51 Ca 0.04 -0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3hqd s SER 51 Cb -0.12 -1.34 0.01 0.00 0.21 0.00 0.00 66.02 64.78 3hqd s SER 51 CO -0.05 0.22 -0.21 -0.69 0.41 0.00 0.00 173.24 172.93 3hqd s VAL 52 N -0.01 2.19 -0.29 3.43 1.01 0.12 -0.02 120.40 126.83 3hqd s VAL 52 Ca -0.04 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 3hqd s VAL 52 Cb -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3hqd s VAL 52 CO 0.04 0.54 1.25 -0.13 0.00 0.00 0.00 175.10 176.81 3hqd s ARG 53 N 0.75 3.97 -0.00 2.72 0.52 0.12 -0.40 118.95 126.63 3hqd s ARG 53 Ca -0.08 1.24 0.20 0.00 -0.52 0.00 0.00 55.73 56.57 3hqd s ARG 53 Cb -0.16 -3.84 -0.23 0.00 0.52 0.00 0.00 34.95 31.24 3hqd s ARG 53 CO -0.00 -1.04 0.84 0.25 0.02 0.00 0.00 175.30 175.37 3hqd n THR 54 N 6.07 0.00 0.47 0.02 -2.24 -0.32 -4.46 114.28 113.81 3hqd n THR 54 Ca 0.14 -0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 3hqd n THR 54 Cb 0.47 0.94 0.29 0.00 -2.10 0.00 0.00 70.33 69.92 3hqd n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqd n GLY 55 N 1.47 -0.95 7.00 3.38 0.00 -1.17 -5.00 105.19 109.92 3hqd n GLY 55 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hqd n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqd n GLY 56 N -0.12 -0.62 0.31 -0.02 0.00 -1.18 -1.87 105.19 101.70 3hqd n GLY 56 Ca 0.03 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 44.98 3hqd n GLY 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hqd h LEU 57 N 0.00 0.66 -0.09 0.99 5.85 -1.98 -3.07 115.31 117.66 3hqd h LEU 57 Ca 0.00 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hqd h LEU 57 Cb 0.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 3hqd h LEU 57 CO 0.00 0.56 -0.08 0.00 -0.34 0.00 0.00 178.44 178.58 3hqd h ALA 58 N 1.54 0.14 -3.22 1.25 0.00 -2.01 -3.41 119.26 113.56 3hqd h ALA 58 Ca 0.18 -0.28 -0.69 0.00 0.00 0.00 0.00 54.91 54.12 3hqd h ALA 58 Cb 0.08 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 17.51 3hqd h ALA 58 CO -0.03 -0.05 -0.59 0.34 0.00 0.00 0.00 179.25 178.92 3hqd s ASP 59 N -5.94 5.19 0.00 0.00 -1.08 -0.78 -4.95 116.67 109.11 3hqd s ASP 59 Ca -0.15 -1.65 0.16 0.00 -0.52 0.00 0.00 52.55 50.39 3hqd s ASP 59 Cb 0.04 -1.81 0.48 0.00 -1.46 0.00 0.00 42.92 40.17 3hqd s ASP 59 CO 0.72 -0.43 1.39 0.29 0.52 0.00 0.00 175.17 177.66 3hqd n LYS 60 N 4.66 1.99 -0.11 4.34 5.02 -1.25 -3.11 118.16 129.70 3hqd n LYS 60 Ca -0.07 -1.53 -0.20 0.00 -2.02 0.00 0.00 58.31 54.48 3hqd n LYS 60 Cb 0.42 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 3hqd n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hqd n SER 61 N 0.74 1.93 -4.68 4.39 2.88 -1.26 -5.00 113.62 112.62 3hqd n SER 61 Ca 0.16 0.10 -0.45 0.00 -1.33 0.00 0.00 58.87 57.35 3hqd n SER 61 Cb 0.38 -0.52 -0.04 0.00 -0.75 0.00 0.00 64.21 63.28 3hqd n SER 61 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3hqd n SER 62 N -3.62 3.56 -3.84 -3.46 2.88 -1.26 -4.96 113.62 102.92 3hqd n SER 62 Ca -0.42 1.01 -0.12 0.00 -1.33 0.00 0.00 58.87 58.02 3hqd n SER 62 Cb 0.85 -1.45 -0.10 0.00 -0.75 0.00 0.00 64.21 62.76 3hqd n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hqd s ARG 63 N 2.54 0.53 -0.17 -1.46 1.70 -1.26 -1.18 118.95 119.65 3hqd s ARG 63 Ca 0.84 -0.32 -0.04 0.00 -0.47 0.00 0.00 55.73 55.74 3hqd s ARG 63 Cb -0.61 0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 33.97 3hqd s ARG 63 CO 0.42 -0.13 -0.03 0.21 -1.08 0.00 0.00 175.30 174.69 3hqd s LYS 64 N -1.32 3.64 -0.11 3.89 2.20 0.47 -4.90 119.74 123.61 3hqd s LYS 64 Ca -0.14 -0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 54.93 3hqd s LYS 64 Cb -0.07 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 3hqd s LYS 64 CO 0.02 0.16 -0.05 0.99 -0.36 0.00 0.00 175.35 176.11 3hqd s THR 65 N 0.58 3.82 0.12 3.43 2.01 -1.26 -0.71 115.64 123.64 3hqd s THR 65 Ca -0.02 -0.41 0.10 0.00 0.31 0.00 0.00 61.69 61.67 3hqd s THR 65 Cb -0.14 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 3hqd s THR 65 CO 0.02 0.56 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.95 3hqd s TYR 66 N -0.31 2.15 -0.11 4.92 1.51 0.21 -4.96 117.35 120.76 3hqd s TYR 66 Ca 0.05 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3hqd s TYR 66 Cb -0.13 -1.17 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 3hqd s TYR 66 CO 0.02 0.29 -0.22 0.99 -1.11 0.00 0.00 175.55 175.53 3hqd s THR 67 N -1.08 2.26 0.25 -0.71 2.01 -1.26 -0.56 115.64 116.55 3hqd s THR 67 Ca 0.12 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.18 3hqd s THR 67 Cb -0.10 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.52 3hqd s THR 67 CO 0.05 0.55 0.03 0.49 -0.69 0.00 0.00 174.62 175.06 3hqd n PHE 68 N 3.53 0.40 0.08 4.92 3.01 0.33 -5.00 117.46 124.72 3hqd n PHE 68 Ca -0.19 -1.37 -0.12 0.00 1.01 0.00 0.00 57.45 56.78 3hqd n PHE 68 Cb 0.53 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 3hqd n PHE 68 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3hqd h ASP 69 N 0.75 0.43 -4.60 4.37 3.32 -1.53 -3.45 116.42 115.71 3hqd h ASP 69 Ca -0.20 -0.36 -0.10 0.00 0.02 0.00 0.00 57.03 56.39 3hqd h ASP 69 Cb 0.67 -0.13 -0.21 0.00 0.22 0.00 0.00 39.33 39.88 3hqd h ASP 69 CO 0.33 1.16 -0.16 -0.04 -1.72 0.00 0.00 179.24 178.82 3hqd s MET 70 N -3.20 0.69 -0.08 3.56 -1.94 -1.25 -4.98 119.30 112.10 3hqd s MET 70 Ca -0.05 0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.12 3hqd s MET 70 Cb 0.09 0.32 0.02 0.00 2.01 0.00 0.00 34.83 37.27 3hqd s MET 70 CO 0.86 -0.17 -0.06 0.08 -0.01 0.00 0.00 175.02 175.72 3hqd s VAL 71 N -0.74 0.76 -0.25 -6.03 1.01 -1.26 -1.80 120.40 112.09 3hqd s VAL 71 Ca -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3hqd s VAL 71 Cb -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.57 3hqd s VAL 71 CO 0.04 0.30 -0.03 -0.36 0.00 0.00 0.00 175.10 175.05 3hqd s PHE 72 N 1.37 3.07 0.97 5.22 0.08 0.13 -4.23 117.98 124.58 3hqd s PHE 72 Ca -0.03 -1.37 -0.16 0.00 0.12 0.00 0.00 56.93 55.49 3hqd s PHE 72 Cb -0.14 -2.10 0.23 0.00 -0.57 0.00 0.00 43.02 40.44 3hqd s PHE 72 CO -0.03 -0.68 1.22 0.41 -0.10 0.00 0.00 175.22 176.04 3hqd n GLY 73 N 4.72 -1.72 0.34 4.36 0.00 -1.26 -0.21 105.19 111.42 3hqd n GLY 73 Ca -0.16 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.37 3hqd n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqd h ALA 74 N -1.97 1.44 -0.00 4.61 0.00 -1.71 -2.05 119.26 119.58 3hqd h ALA 74 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hqd h ALA 74 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hqd h ALA 74 CO 0.28 -0.22 -0.16 -1.13 0.00 0.00 0.00 179.25 178.02 3hqd n SER 75 N -3.34 0.36 -4.69 0.00 3.41 -1.26 -4.35 113.62 103.75 3hqd n SER 75 Ca -0.01 -0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 57.92 3hqd n SER 75 Cb 0.27 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3hqd n SER 75 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hqd s THR 76 N -2.70 2.96 0.51 6.66 2.01 -0.77 -5.01 115.64 119.31 3hqd s THR 76 Ca 0.22 0.41 -0.04 0.00 0.31 0.00 0.00 61.69 62.59 3hqd s THR 76 Cb 0.19 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 3hqd s THR 76 CO 0.53 -0.00 0.79 -0.54 -0.69 0.00 0.00 174.62 174.71 3hqd s LYS 77 N 2.71 3.15 0.14 4.92 -0.14 -1.26 -4.97 119.74 124.29 3hqd s LYS 77 Ca 0.75 -0.10 -0.23 0.00 -1.36 0.00 0.00 55.97 55.04 3hqd s LYS 77 Cb -0.41 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.36 3hqd s LYS 77 CO 0.33 -0.41 1.64 1.96 -0.76 0.00 0.00 175.35 178.11 3hqd h GLN 78 N 0.13 -0.24 -0.69 1.68 1.08 -1.88 -1.62 115.11 113.57 3hqd h GLN 78 Ca -0.46 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 56.87 3hqd h GLN 78 Cb 1.24 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.68 3hqd h GLN 78 CO 0.60 -0.16 0.46 0.97 -0.95 0.00 0.00 178.83 179.75 3hqd h ILE 79 N -0.25 0.88 -0.80 2.54 6.09 -1.85 -0.38 117.51 123.74 3hqd h ILE 79 Ca 0.12 -0.17 -0.04 0.00 -1.37 0.00 0.00 64.86 63.40 3hqd h ILE 79 Cb 0.43 0.35 -0.04 0.00 0.47 0.00 0.00 36.82 38.03 3hqd h ILE 79 CO -0.33 0.09 0.33 0.44 -3.07 0.00 0.00 178.15 175.60 3hqd h ASP 80 N 0.48 1.09 -0.02 2.19 3.45 -1.69 0.12 116.42 122.06 3hqd h ASP 80 Ca 0.33 -0.17 -0.11 0.00 0.43 0.00 0.00 57.03 57.51 3hqd h ASP 80 Cb 0.61 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 3hqd h ASP 80 CO -0.10 0.96 -0.31 0.58 -1.57 0.00 0.00 179.24 178.79 3hqd h VAL 81 N 1.16 1.28 0.13 -1.35 2.07 -0.78 -2.09 116.25 116.66 3hqd h VAL 81 Ca 0.27 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3hqd h VAL 81 Cb 0.20 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3hqd h VAL 81 CO -0.02 0.43 -0.06 0.22 0.02 0.00 0.00 177.57 178.16 3hqd h TYR 82 N 0.41 -0.16 -0.44 1.57 5.03 -0.80 -1.14 116.97 121.45 3hqd h TYR 82 Ca 0.05 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.38 3hqd h TYR 82 Cb 0.75 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.05 3hqd h TYR 82 CO 0.02 0.27 0.25 0.00 -1.32 0.00 0.00 178.16 177.38 3hqd h ARG 83 N -0.66 0.49 -0.09 1.82 3.08 -1.00 -0.08 114.38 117.94 3hqd h ARG 83 Ca -0.02 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3hqd h ARG 83 Cb 0.50 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hqd h ARG 83 CO 0.03 0.32 -0.16 0.77 -1.07 0.00 0.00 179.97 179.86 3hqd h SER 84 N 0.50 0.29 0.00 7.04 0.02 -1.46 -3.36 113.55 116.60 3hqd h SER 84 Ca 0.18 -0.55 -0.41 0.00 -0.84 0.00 0.00 61.79 60.16 3hqd h SER 84 Cb 0.03 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.42 3hqd h SER 84 CO -0.09 0.79 -2.28 0.52 -1.14 0.00 0.00 176.83 174.63 3hqd n VAL 85 N -4.58 1.54 0.01 2.27 0.31 -0.43 -4.69 118.33 112.75 3hqd n VAL 85 Ca -0.07 -0.35 -0.19 0.00 -0.01 0.00 0.00 64.34 63.72 3hqd n VAL 85 Cb 0.38 -1.85 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 3hqd n VAL 85 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hqd h VAL 86 N -0.85 1.29 0.06 2.52 2.07 -1.06 -3.31 116.25 116.97 3hqd h VAL 86 Ca -0.62 -2.10 0.03 0.00 0.82 0.00 0.00 66.70 64.83 3hqd h VAL 86 Cb 1.61 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 33.55 3hqd h VAL 86 CO -0.33 0.65 -0.37 0.00 0.02 0.00 0.00 177.57 177.54 3hqd h PRO 88 N -0.57 1.15 -0.41 0.00 0.13 -1.80 -2.00 132.00 128.51 3hqd h PRO 88 Ca 0.04 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 3hqd h PRO 88 Cb 0.63 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 3hqd h PRO 88 CO -0.25 0.76 -0.18 0.82 -0.23 0.00 0.00 178.00 178.92 3hqd h ILE 89 N 1.19 1.27 -0.44 -3.56 2.04 -1.53 -3.06 117.51 113.41 3hqd h ILE 89 Ca 0.43 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 3hqd h ILE 89 Cb 0.16 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3hqd h ILE 89 CO -0.17 0.43 0.05 0.25 0.00 0.00 0.00 178.15 178.71 3hqd h LEU 90 N 0.69 0.72 -2.38 1.44 5.85 0.06 -2.13 115.31 119.56 3hqd h LEU 90 Ca 0.10 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3hqd h LEU 90 Cb 0.67 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3hqd h LEU 90 CO 0.05 0.81 0.01 0.44 -0.34 0.00 0.00 178.44 179.41 3hqd h ASP 91 N 0.60 0.00 0.47 1.25 3.32 -1.33 0.06 116.42 120.80 3hqd h ASP 91 Ca 0.13 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.98 3hqd h ASP 91 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3hqd h ASP 91 CO 0.01 0.00 -0.87 -0.33 -1.72 0.00 0.00 179.24 176.34 3hqd h GLU 92 N 0.00 0.27 -0.21 3.56 5.08 -1.31 -2.14 114.58 119.84 3hqd h GLU 92 Ca 0.00 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3hqd h GLU 92 Cb 0.02 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3hqd h GLU 92 CO -0.00 0.99 0.03 0.28 -1.00 0.00 0.00 179.01 179.31 3hqd h VAL 93 N 0.16 1.23 0.00 3.13 2.07 -0.47 -0.74 116.25 121.62 3hqd h VAL 93 Ca -0.05 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3hqd h VAL 93 Cb 1.48 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3hqd h VAL 93 CO 0.14 0.23 -0.01 0.40 0.02 0.00 0.00 177.57 178.35 3hqd h ILE 94 N 0.14 0.06 0.00 4.57 2.04 -1.31 -0.61 117.51 122.41 3hqd h ILE 94 Ca 0.06 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3hqd h ILE 94 Cb 0.32 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3hqd h ILE 94 CO 0.00 0.01 0.00 0.23 0.00 0.00 0.00 178.15 178.40 3hqd n MET 95 N -3.14 0.06 0.00 2.37 2.81 -0.79 -4.89 117.12 113.54 3hqd n MET 95 Ca -0.01 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3hqd n MET 95 Cb 0.21 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3hqd n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hqd n GLY 96 N 1.32 1.18 3.91 3.03 0.00 -0.24 -4.84 105.19 109.56 3hqd n GLY 96 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3hqd n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hqd s TYR 97 N -2.00 3.53 -0.26 1.61 2.02 -0.35 -3.56 117.35 118.34 3hqd s TYR 97 Ca 0.00 0.71 -0.10 0.00 -0.37 0.00 0.00 57.07 57.31 3hqd s TYR 97 Cb 0.00 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3hqd s TYR 97 CO 0.00 -0.13 0.14 -0.80 -1.57 0.00 0.00 175.55 173.19 3hqd s ASN 98 N -3.92 5.74 0.05 2.29 0.02 -1.26 -2.20 114.94 115.66 3hqd s ASN 98 Ca 0.46 -0.04 0.06 0.00 -1.02 0.00 0.00 52.86 52.32 3hqd s ASN 98 Cb -0.10 -2.05 -0.02 0.00 0.02 0.00 0.00 41.25 39.10 3hqd s ASN 98 CO 0.40 -0.01 -0.17 0.00 0.02 0.00 0.00 177.10 177.34 3hqd s THR 100 N -0.89 0.76 -0.08 0.00 2.01 0.36 0.09 115.64 117.88 3hqd s THR 100 Ca 0.04 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.68 3hqd s THR 100 Cb -0.09 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.79 3hqd s THR 100 CO 0.02 0.23 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.47 3hqd s ILE 101 N 0.02 0.86 -0.01 1.82 1.01 0.15 -0.30 121.20 124.75 3hqd s ILE 101 Ca -0.00 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3hqd s ILE 101 Cb -0.06 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 3hqd s ILE 101 CO 0.00 0.32 -0.06 0.72 0.00 0.00 0.00 174.94 175.92 3hqd s PHE 102 N 1.24 0.58 -0.07 3.97 -0.12 -1.02 0.11 117.98 122.67 3hqd s PHE 102 Ca -0.05 -0.11 -0.21 0.00 -0.05 0.00 0.00 56.93 56.51 3hqd s PHE 102 Cb -0.14 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 3hqd s PHE 102 CO -0.02 -0.03 0.59 0.00 -0.05 0.00 0.00 175.22 175.71 3hqd s ALA 103 N -0.04 3.42 -0.03 1.99 0.00 -0.06 -1.86 121.76 125.18 3hqd s ALA 103 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.97 3hqd s ALA 103 Cb -0.04 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.31 3hqd s ALA 103 CO -0.00 0.00 -0.03 -0.47 0.00 0.00 0.00 175.76 175.26 3hqd s TYR 104 N 0.49 0.59 0.00 0.00 6.14 0.04 -3.09 117.35 121.51 3hqd s TYR 104 Ca 0.32 -0.13 0.00 0.00 0.64 0.00 0.00 57.07 57.90 3hqd s TYR 104 Cb -0.17 -0.54 0.00 0.00 0.42 0.00 0.00 41.96 41.67 3hqd s TYR 104 CO 0.15 -0.14 0.00 0.41 0.64 0.00 0.00 175.55 176.61 3hqd n GLY 105 N 3.89 1.95 3.43 8.97 0.00 -1.26 -0.79 105.19 121.38 3hqd n GLY 105 Ca -0.24 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 3hqd n GLY 105 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hqd n GLN 106 N -0.91 0.23 -1.75 1.61 7.27 -1.26 -3.74 117.38 118.83 3hqd n GLN 106 Ca 0.00 0.11 -0.42 0.00 0.07 0.00 0.00 57.00 56.77 3hqd n GLN 106 Cb 0.00 -1.74 -0.01 0.00 2.41 0.00 0.00 30.24 30.90 3hqd n GLN 106 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 3hqd n THR 107 N -2.40 1.43 -0.98 1.69 5.66 -0.70 -2.64 114.28 116.35 3hqd n THR 107 Ca 0.09 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 3hqd n THR 107 Cb 0.50 -1.94 0.00 0.00 -1.55 0.00 0.00 70.33 67.34 3hqd n THR 107 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hqd n GLY 108 N 1.46 0.64 0.07 1.09 0.00 -1.26 -4.92 105.19 102.27 3hqd n GLY 108 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3hqd n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hqd n THR 109 N -2.49 0.00 0.00 2.61 -2.24 -1.08 -4.94 114.28 106.13 3hqd n THR 109 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hqd n THR 109 Cb 0.03 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3hqd n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqd n GLY 110 N 1.42 1.30 0.21 3.38 0.00 -1.26 -4.39 105.19 105.85 3hqd n GLY 110 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 3hqd n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hqd h LYS 111 N 0.00 -0.44 -0.56 1.61 1.57 -1.92 -0.75 116.57 116.09 3hqd h LYS 111 Ca 0.00 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3hqd h LYS 111 Cb 0.00 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3hqd h LYS 111 CO 0.00 -0.19 -0.05 1.15 -0.57 0.00 0.00 179.45 179.79 3hqd h THR 112 N -0.62 1.27 -0.84 -0.16 2.02 -1.95 0.17 112.91 112.80 3hqd h THR 112 Ca -0.05 -1.19 0.01 0.00 0.77 0.00 0.00 66.41 65.95 3hqd h THR 112 Cb 0.45 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3hqd h THR 112 CO 0.08 0.42 0.55 0.15 0.37 0.00 0.00 175.52 177.09 3hqd h PHE 113 N 0.89 1.07 0.03 3.16 3.04 -1.87 0.17 116.94 123.43 3hqd h PHE 113 Ca 0.15 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.99 3hqd h PHE 113 Cb 0.60 -0.36 0.01 0.00 2.56 0.00 0.00 35.95 38.76 3hqd h PHE 113 CO 0.04 0.68 -0.51 1.15 -2.02 0.00 0.00 178.31 177.65 3hqd h THR 114 N 1.15 1.49 -0.10 4.41 2.02 -0.85 -1.05 112.91 119.98 3hqd h THR 114 Ca 0.31 -2.14 -0.23 0.00 0.77 0.00 0.00 66.41 65.12 3hqd h THR 114 Cb -0.11 2.79 0.01 0.00 -1.74 0.00 0.00 68.15 69.10 3hqd h THR 114 CO -0.06 0.61 -0.84 0.24 0.37 0.00 0.00 175.52 175.83 3hqd h MET 115 N -0.31 0.70 0.00 6.66 2.86 -0.87 -1.53 114.93 122.45 3hqd h MET 115 Ca -0.07 -0.61 -0.21 0.00 -2.06 0.00 0.00 59.70 56.75 3hqd h MET 115 Cb 1.27 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 33.04 3hqd h MET 115 CO 0.10 1.22 -1.73 -1.91 1.06 0.00 0.00 176.91 175.65 3hqd n GLU 116 N -3.89 0.30 0.00 1.72 4.07 0.50 -0.80 120.64 122.54 3hqd n GLU 116 Ca -0.08 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 3hqd n GLU 116 Cb 0.78 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 31.05 3hqd n GLU 116 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hqd n GLY 117 N 2.50 -1.80 3.40 8.31 0.00 -0.40 -0.12 105.19 117.10 3hqd n GLY 117 Ca -0.25 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 3hqd n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqd s GLU 118 N 0.00 1.77 0.05 1.61 2.02 -0.00 -4.72 118.70 119.42 3hqd s GLU 118 Ca 0.00 -1.79 0.03 0.00 0.02 0.00 0.00 54.97 53.22 3hqd s GLU 118 Cb 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 34.13 34.58 3hqd s GLU 118 CO 0.00 -0.70 0.03 1.03 0.02 0.00 0.00 175.26 175.64 3hqd s ARG 119 N -3.35 2.76 -0.04 1.61 1.81 -1.26 -2.65 118.95 117.82 3hqd s ARG 119 Ca 0.34 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 53.38 3hqd s ARG 119 Cb 0.01 -2.66 -0.03 0.00 -0.45 0.00 0.00 34.95 31.83 3hqd s ARG 119 CO 0.21 0.59 0.90 -1.12 -0.68 0.00 0.00 175.30 175.19 3hqd s SER 120 N -2.01 7.22 0.00 0.23 0.01 -1.26 -4.93 113.70 112.96 3hqd s SER 120 Ca 0.24 1.48 -0.02 0.00 1.31 0.00 0.00 55.95 58.96 3hqd s SER 120 Cb -0.12 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 3hqd s SER 120 CO 0.16 -0.25 1.63 -2.65 0.41 0.00 0.00 173.24 172.54 3hqd n PRO 121 N 4.09 0.75 0.00 12.44 -0.02 -1.26 -2.42 135.00 148.57 3hqd n PRO 121 Ca 0.04 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 3hqd n PRO 121 Cb 0.51 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3hqd n PRO 121 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3hqd n ASN 122 N 2.69 0.00 -0.40 2.55 5.15 -1.26 -5.01 115.26 118.98 3hqd n ASN 122 Ca 0.15 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.08 3hqd n ASN 122 Cb 0.34 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.57 3hqd n ASN 122 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3hqd n GLU 123 N 0.00 -1.69 0.00 1.20 2.13 -1.02 -4.79 120.64 116.47 3hqd n GLU 123 Ca 0.00 0.65 0.03 0.00 0.66 0.00 0.00 57.16 58.50 3hqd n GLU 123 Cb 0.00 -5.00 0.14 0.00 0.27 0.00 0.00 31.44 26.85 3hqd n GLU 123 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3hqd n GLU 124 N -0.20 0.04 -4.09 5.31 1.02 -1.26 -4.71 120.64 116.75 3hqd n GLU 124 Ca -0.05 0.31 -0.08 0.00 -0.02 0.00 0.00 57.16 57.32 3hqd n GLU 124 Cb 0.50 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 3hqd n GLU 124 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3hqd s TYR 125 N -2.78 0.58 0.67 -0.32 1.51 -1.26 -5.03 117.35 110.72 3hqd s TYR 125 Ca 0.04 -0.93 -0.05 0.00 -1.01 0.00 0.00 57.07 55.12 3hqd s TYR 125 Cb 0.04 -0.40 0.05 0.00 -0.11 0.00 0.00 41.96 41.55 3hqd s TYR 125 CO 0.10 -0.28 0.97 0.95 -1.11 0.00 0.00 175.55 176.18 3hqd s THR 126 N -3.39 2.47 0.06 -0.71 -4.23 -1.26 -4.74 115.64 103.83 3hqd s THR 126 Ca 0.04 -0.30 -0.19 0.00 -1.18 0.00 0.00 61.69 60.06 3hqd s THR 126 Cb 0.04 -3.05 -0.08 0.00 1.34 0.00 0.00 72.50 70.75 3hqd s THR 126 CO -0.07 -0.05 1.31 -0.25 -0.54 0.00 0.00 174.62 175.02 3hqd h TRP 127 N -0.46 -0.86 0.00 3.99 2.91 -2.00 0.20 115.95 119.73 3hqd h TRP 127 Ca -0.44 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.60 3hqd h TRP 127 Cb 1.31 0.37 0.00 0.00 -0.51 0.00 0.00 29.16 30.32 3hqd h TRP 127 CO 0.35 -0.33 0.12 -0.85 -1.03 0.00 0.00 178.44 176.70 3hqd n GLU 128 N -4.12 0.01 -0.07 2.65 -0.00 -1.26 -0.59 120.64 117.26 3hqd n GLU 128 Ca -0.05 0.41 -0.03 0.00 -0.00 0.00 0.00 57.16 57.49 3hqd n GLU 128 Cb 0.23 -1.65 -0.15 0.00 -0.00 0.00 0.00 31.44 29.87 3hqd n GLU 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3hqd n GLU 129 N -1.46 0.82 -1.67 3.44 4.71 -0.17 -4.96 120.64 121.34 3hqd n GLU 129 Ca -0.00 -0.07 -0.44 0.00 -0.01 0.00 0.00 57.16 56.64 3hqd n GLU 129 Cb 0.12 -1.48 -0.04 0.00 -1.01 0.00 0.00 31.44 29.03 3hqd n GLU 129 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3hqd n ASP 130 N -2.54 3.87 0.33 1.62 -0.08 0.52 -4.84 116.55 115.44 3hqd n ASP 130 Ca -0.22 0.95 0.22 0.00 -1.51 0.00 0.00 54.79 54.24 3hqd n ASP 130 Cb 0.93 -1.48 1.17 0.00 2.34 0.00 0.00 41.12 44.08 3hqd n ASP 130 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hqd h PRO 131 N 9.40 0.00 0.00 -0.67 0.13 -1.91 -0.71 132.00 138.24 3hqd h PRO 131 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3hqd h PRO 131 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hqd h PRO 131 CO 0.94 0.00 -0.51 1.28 -0.23 0.00 0.00 178.00 179.48 3hqd n LEU 132 N -3.07 0.51 -4.73 1.56 4.77 -1.26 -4.18 117.00 110.59 3hqd n LEU 132 Ca -0.03 0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 3hqd n LEU 132 Cb 0.09 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3hqd n LEU 132 CO 0.21 0.11 0.96 0.00 -1.33 0.00 0.00 177.39 177.34 3hqd n ALA 133 N -1.52 1.61 -2.15 -1.18 0.00 -0.27 -0.82 120.51 116.17 3hqd n ALA 133 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 3hqd n ALA 133 Cb 0.34 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.49 3hqd n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hqd n GLY 134 N 0.71 0.54 0.20 0.00 0.00 0.84 -4.75 105.19 102.72 3hqd n GLY 134 Ca 0.05 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 3hqd n GLY 134 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hqd h ILE 135 N -0.48 0.90 0.50 -0.61 2.04 -0.97 -3.00 117.51 115.89 3hqd h ILE 135 Ca -0.04 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3hqd h ILE 135 Cb 0.13 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3hqd h ILE 135 CO 0.04 0.07 -0.24 0.40 0.00 0.00 0.00 178.15 178.42 3hqd h ILE 136 N 0.41 0.49 -0.32 -0.67 2.04 -1.25 0.70 117.51 118.91 3hqd h ILE 136 Ca 0.22 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3hqd h ILE 136 Cb 0.19 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3hqd h ILE 136 CO -0.19 0.03 0.22 1.55 0.00 0.00 0.00 178.15 179.75 3hqd h PRO 137 N -0.78 0.41 -0.17 2.37 0.13 -1.81 -1.88 132.00 130.28 3hqd h PRO 137 Ca -0.07 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.98 3hqd h PRO 137 Cb 0.56 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 3hqd h PRO 137 CO 0.11 0.27 -0.12 0.00 -0.23 0.00 0.00 178.00 178.03 3hqd h ARG 138 N 0.43 0.38 -0.75 0.86 3.08 -1.37 -2.92 114.38 114.10 3hqd h ARG 138 Ca 0.12 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3hqd h ARG 138 Cb -0.03 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3hqd h ARG 138 CO -0.03 0.73 0.42 1.15 -1.07 0.00 0.00 179.97 181.17 3hqd h THR 139 N 0.04 1.22 0.04 2.04 2.02 -0.47 -1.93 112.91 115.87 3hqd h THR 139 Ca 0.03 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3hqd h THR 139 Cb 0.63 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3hqd h THR 139 CO 0.03 0.24 -0.02 -0.07 0.37 0.00 0.00 175.52 176.07 3hqd h LEU 140 N 1.04 -0.05 -0.70 2.58 3.38 -1.34 -0.52 115.31 119.70 3hqd h LEU 140 Ca 0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hqd h LEU 140 Cb 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hqd h LEU 140 CO -0.04 0.01 0.43 -0.74 0.09 0.00 0.00 178.44 178.18 3hqd h HIS 141 N -0.10 0.91 -0.00 1.13 2.76 -1.32 -2.75 115.15 115.78 3hqd h HIS 141 Ca -0.01 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 3hqd h HIS 141 Cb 0.09 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 3hqd h HIS 141 CO -0.06 0.61 -0.44 1.96 -1.30 0.00 0.00 177.93 178.69 3hqd h GLN 142 N 0.95 0.00 0.03 5.26 1.08 -1.20 -2.63 115.11 118.61 3hqd h GLN 142 Ca 0.25 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 3hqd h GLN 142 Cb -0.05 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3hqd h GLN 142 CO -0.05 0.45 -0.02 0.82 -0.95 0.00 0.00 178.83 179.08 3hqd h ILE 143 N 0.00 0.99 -0.60 2.54 2.04 -0.79 0.26 117.51 121.96 3hqd h ILE 143 Ca -0.00 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 3hqd h ILE 143 Cb 0.79 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3hqd h ILE 143 CO 0.06 0.02 0.06 -0.26 0.00 0.00 0.00 178.15 178.03 3hqd h PHE 144 N -0.08 1.09 0.11 1.37 0.04 -1.52 0.77 116.94 118.71 3hqd h PHE 144 Ca -0.00 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 3hqd h PHE 144 Cb 0.07 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 37.93 3hqd h PHE 144 CO -0.06 0.95 -0.05 0.93 -0.60 0.00 0.00 178.31 179.48 3hqd h GLU 145 N 0.92 -0.14 -0.25 1.51 4.39 -1.26 -0.73 114.58 119.02 3hqd h GLU 145 Ca 0.18 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 3hqd h GLU 145 Cb 0.48 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3hqd h GLU 145 CO 0.02 -0.06 0.14 0.87 -1.16 0.00 0.00 179.01 178.82 3hqd h LYS 146 N -0.19 0.35 -0.31 2.33 1.57 -0.36 -1.53 116.57 118.44 3hqd h LYS 146 Ca -0.01 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3hqd h LYS 146 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3hqd h LYS 146 CO 0.02 0.30 0.17 -0.07 -0.57 0.00 0.00 179.45 179.31 3hqd h LEU 147 N 0.30 0.26 -1.01 2.94 4.07 -0.76 0.32 115.31 121.42 3hqd h LEU 147 Ca 0.09 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 3hqd h LEU 147 Cb 0.06 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 3hqd h LEU 147 CO -0.01 0.19 0.26 0.74 -1.08 0.00 0.00 178.44 178.54 3hqd h THR 148 N 0.35 1.23 -0.45 0.22 2.02 -1.03 -2.00 112.91 113.25 3hqd h THR 148 Ca 0.13 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 3hqd h THR 148 Cb 0.02 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3hqd h THR 148 CO -0.07 0.29 -0.08 0.44 0.37 0.00 0.00 175.52 176.46 3hqd h ASP 149 N 0.96 0.79 0.01 4.18 3.45 -0.77 -3.04 116.42 121.99 3hqd h ASP 149 Ca 0.22 -0.23 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 3hqd h ASP 149 Cb 0.18 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 3hqd h ASP 149 CO -0.02 0.90 -0.30 -1.13 -1.57 0.00 0.00 179.24 177.13 3hqd h ASN 150 N 0.73 0.44 0.00 6.45 -0.73 -0.26 -3.47 115.58 118.73 3hqd h ASN 150 Ca 0.13 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.14 3hqd h ASN 150 Cb 0.56 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.03 3hqd h ASN 150 CO 0.03 0.72 0.00 0.61 -0.37 0.00 0.00 177.43 178.43 3hqd n GLY 151 N -0.31 3.35 3.55 1.57 0.00 -0.82 -5.05 105.19 107.49 3hqd n GLY 151 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3hqd n GLY 151 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hqd n THR 152 N -2.00 1.24 -2.95 2.61 5.66 -1.26 -4.93 114.28 112.65 3hqd n THR 152 Ca 0.00 -0.24 -0.41 0.00 -3.05 0.00 0.00 64.05 60.35 3hqd n THR 152 Cb 0.00 -0.90 -0.05 0.00 -1.55 0.00 0.00 70.33 67.83 3hqd n THR 152 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3hqd s GLU 153 N -3.67 4.22 0.17 1.09 2.12 0.20 -4.91 118.70 117.92 3hqd s GLU 153 Ca 0.66 0.88 0.02 0.00 0.36 0.00 0.00 54.97 56.88 3hqd s GLU 153 Cb -0.28 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 3hqd s GLU 153 CO 0.58 -0.39 0.00 -0.59 -0.54 0.00 0.00 175.26 174.33 3hqd s PHE 154 N 2.38 1.19 -0.03 5.30 -0.12 -1.26 -0.34 117.98 125.10 3hqd s PHE 154 Ca 0.34 -1.03 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 3hqd s PHE 154 Cb -0.16 -0.68 0.02 0.00 -0.63 0.00 0.00 43.02 41.57 3hqd s PHE 154 CO 0.10 -0.22 0.06 0.45 -0.05 0.00 0.00 175.22 175.55 3hqd s SER 155 N -3.16 -0.02 -0.10 1.98 0.15 -0.79 -5.00 113.70 106.76 3hqd s SER 155 Ca 0.24 0.11 0.03 0.00 0.70 0.00 0.00 55.95 57.03 3hqd s SER 155 Cb 0.06 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 3hqd s SER 155 CO 0.04 -0.08 -0.18 -0.69 1.20 0.00 0.00 173.24 173.52 3hqd s VAL 156 N 0.62 2.59 -0.04 4.45 1.01 -1.26 -2.10 120.40 125.67 3hqd s VAL 156 Ca -0.05 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3hqd s VAL 156 Cb -0.07 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3hqd s VAL 156 CO -0.02 0.55 -0.12 -0.75 0.00 0.00 0.00 175.10 174.76 3hqd s LYS 157 N 0.14 1.40 0.19 2.72 2.20 -0.63 -0.99 119.74 124.77 3hqd s LYS 157 Ca -0.10 -0.40 0.09 0.00 -0.36 0.00 0.00 55.97 55.21 3hqd s LYS 157 Cb -0.16 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 34.90 3hqd s LYS 157 CO 0.06 0.10 -0.19 0.14 -0.36 0.00 0.00 175.35 175.10 3hqd s VAL 158 N 0.37 1.96 -0.05 4.02 -7.23 0.39 -0.28 120.40 119.58 3hqd s VAL 158 Ca -0.08 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 57.89 3hqd s VAL 158 Cb -0.12 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.88 3hqd s VAL 158 CO 0.02 -0.34 0.37 -0.94 -0.31 0.00 0.00 175.10 173.90 3hqd s SER 159 N -2.87 -0.29 -0.04 4.85 1.04 -0.02 -0.88 113.70 115.49 3hqd s SER 159 Ca 0.19 0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.91 3hqd s SER 159 Cb -0.05 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.54 3hqd s SER 159 CO 0.08 -0.41 0.07 -0.22 0.98 0.00 0.00 173.24 173.75 3hqd s LEU 160 N -1.00 0.46 0.12 2.42 2.96 -1.26 -0.21 118.68 122.17 3hqd s LEU 160 Ca -0.11 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3hqd s LEU 160 Cb -0.04 -0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 3hqd s LEU 160 CO 0.04 -0.20 0.00 -1.48 -1.32 0.00 0.00 176.35 173.40 3hqd s LEU 161 N 1.74 2.13 0.05 -0.68 0.05 -0.92 0.05 118.68 121.10 3hqd s LEU 161 Ca -0.01 -1.12 0.04 0.00 0.05 0.00 0.00 54.13 53.08 3hqd s LEU 161 Cb -0.12 0.12 -0.02 0.00 -2.05 0.00 0.00 46.19 44.12 3hqd s LEU 161 CO -0.04 -0.62 -0.11 -1.83 -0.55 0.00 0.00 176.35 173.20 3hqd s GLU 162 N -3.95 0.72 -0.49 1.48 -1.05 -0.46 0.00 118.70 114.96 3hqd s GLU 162 Ca 0.18 -0.79 -0.14 0.00 -0.15 0.00 0.00 54.97 54.08 3hqd s GLU 162 Cb 0.07 -0.65 0.11 0.00 -0.44 0.00 0.00 34.13 33.21 3hqd s GLU 162 CO -0.01 0.15 0.41 0.42 0.95 0.00 0.00 175.26 177.17 3hqd s ILE 163 N -1.13 4.88 -0.28 1.83 1.01 0.67 -1.75 121.20 126.43 3hqd s ILE 163 Ca -0.03 -1.43 -0.07 0.00 0.00 0.00 0.00 60.65 59.12 3hqd s ILE 163 Cb -0.09 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3hqd s ILE 163 CO 0.01 -0.72 0.06 -0.47 0.00 0.00 0.00 174.94 173.82 3hqd s TYR 164 N 1.54 3.11 -1.19 3.97 5.04 0.72 -2.49 117.35 128.05 3hqd s TYR 164 Ca 0.04 -0.87 -0.20 0.00 -2.44 0.00 0.00 57.07 53.60 3hqd s TYR 164 Cb -0.27 -2.23 0.00 0.00 0.35 0.00 0.00 41.96 39.81 3hqd s TYR 164 CO 0.03 -0.53 0.72 0.09 -1.34 0.00 0.00 175.55 174.52 3hqd n ASN 165 N 4.87 -4.35 -2.87 4.32 5.03 -1.26 -1.64 115.26 119.36 3hqd n ASN 165 Ca -0.15 -1.06 -0.20 0.00 0.87 0.00 0.00 54.58 54.04 3hqd n ASN 165 Cb 0.49 -3.07 0.01 0.00 -1.02 0.00 0.00 39.78 36.19 3hqd n ASN 165 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3hqd n GLU 166 N -4.36 -3.27 -4.01 3.52 -0.58 -1.26 -4.97 120.64 105.71 3hqd n GLU 166 Ca -0.13 0.71 -0.10 0.00 -0.42 0.00 0.00 57.16 57.23 3hqd n GLU 166 Cb 0.60 -5.43 -0.11 0.00 -0.57 0.00 0.00 31.44 25.93 3hqd n GLU 166 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3hqd s GLU 167 N -5.51 0.38 -0.13 3.49 2.02 -0.65 -4.87 118.70 113.43 3hqd s GLU 167 Ca 0.20 -0.70 -0.05 0.00 0.02 0.00 0.00 54.97 54.44 3hqd s GLU 167 Cb -0.10 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 3hqd s GLU 167 CO 0.25 -0.04 0.04 -0.51 0.02 0.00 0.00 175.26 175.02 3hqd s LEU 168 N -1.64 3.73 -0.02 1.80 1.02 -1.26 -0.20 118.68 122.10 3hqd s LEU 168 Ca -0.12 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.18 3hqd s LEU 168 Cb -0.08 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.23 3hqd s LEU 168 CO -0.02 0.29 -0.07 -0.36 0.02 0.00 0.00 176.35 176.21 3hqd s PHE 169 N -0.31 0.69 -0.10 0.29 0.40 -0.72 -0.94 117.98 117.30 3hqd s PHE 169 Ca 0.08 -0.15 -0.29 0.00 -0.60 0.00 0.00 56.93 55.96 3hqd s PHE 169 Cb -0.12 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 3hqd s PHE 169 CO 0.02 -0.06 0.98 0.34 0.70 0.00 0.00 175.22 177.20 3hqd s ASP 170 N 0.14 7.23 0.00 1.36 -1.08 -1.26 -1.35 116.67 121.71 3hqd s ASP 170 Ca -0.02 1.51 0.22 0.00 -0.52 0.00 0.00 52.55 53.74 3hqd s ASP 170 Cb -0.06 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.42 3hqd s ASP 170 CO -0.00 -0.42 1.47 0.18 0.52 0.00 0.00 175.17 176.92 3hqd n LEU 171 N 4.89 2.54 -0.19 -1.34 4.77 0.11 -4.05 117.00 123.73 3hqd n LEU 171 Ca 0.08 -1.06 0.03 0.00 -0.03 0.00 0.00 56.01 55.03 3hqd n LEU 171 Cb 0.49 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3hqd n LEU 171 CO 0.52 0.53 0.31 0.18 -1.33 0.00 0.00 177.39 177.59 3hqd n LEU 172 N 0.90 1.35 -4.38 2.23 4.77 -1.24 -4.18 117.00 116.44 3hqd n LEU 172 Ca 0.17 -0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 54.86 3hqd n LEU 172 Cb 0.47 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.69 3hqd n LEU 172 CO 0.14 0.29 -0.21 0.59 -1.33 0.00 0.00 177.39 176.87 3hqd n ASN 173 N 0.19 -2.19 -0.58 -1.43 3.02 -1.26 -4.78 115.26 108.23 3hqd n ASN 173 Ca 0.03 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3hqd n ASN 173 Cb 0.13 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 3hqd n ASN 173 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3hqd n PRO 174 N -1.78 0.68 -3.07 3.52 -0.04 -1.26 -4.75 135.00 128.30 3hqd n PRO 174 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 3hqd n PRO 174 Cb 0.56 -1.31 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 3hqd n PRO 174 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3hqd n SER 175 N 0.23 -5.78 0.03 3.54 7.64 -1.26 -4.91 113.62 113.11 3hqd n SER 175 Ca 0.00 -0.31 -0.21 0.00 1.01 0.00 0.00 58.87 59.35 3hqd n SER 175 Cb 0.20 -4.56 -0.14 0.00 -1.01 0.00 0.00 64.21 58.70 3hqd n SER 175 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3hqd h SER 176 N -1.54 0.44 -1.64 6.43 4.64 -2.00 -3.48 113.55 116.41 3hqd h SER 176 Ca -0.49 -0.88 -0.58 0.00 -0.47 0.00 0.00 61.79 59.37 3hqd h SER 176 Cb 1.33 -0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 63.18 3hqd h SER 176 CO 0.51 1.60 -0.53 -1.81 -0.87 0.00 0.00 176.83 175.73 3hqd s ASP 177 N -7.07 4.28 0.00 4.97 1.11 -1.26 -5.04 116.67 113.65 3hqd s ASP 177 Ca -0.18 -1.14 0.00 0.00 0.18 0.00 0.00 52.55 51.41 3hqd s ASP 177 Cb 0.04 -0.47 0.00 0.00 1.07 0.00 0.00 42.92 43.56 3hqd s ASP 177 CO 0.79 -0.50 0.00 0.52 1.18 0.00 0.00 175.17 177.17 3hqd n VAL 178 N -1.15 0.00 -1.91 -1.27 0.31 -1.26 -4.81 118.33 108.24 3hqd n VAL 178 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 3hqd n VAL 178 Cb 0.65 -0.34 0.03 0.00 -0.91 0.00 0.00 33.84 33.28 3hqd n VAL 178 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3hqd n SER 179 N -1.07 5.59 -4.32 4.52 2.88 -1.26 -4.98 113.62 114.98 3hqd n SER 179 Ca 0.00 -3.76 -0.37 0.00 -1.33 0.00 0.00 58.87 53.41 3hqd n SER 179 Cb 0.18 -0.51 -0.13 0.00 -0.75 0.00 0.00 64.21 63.01 3hqd n SER 179 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3hqd s GLU 180 N -3.66 2.95 -0.24 -1.46 2.12 -1.26 -5.08 118.70 112.08 3hqd s GLU 180 Ca 0.54 -0.95 -0.05 0.00 0.36 0.00 0.00 54.97 54.86 3hqd s GLU 180 Cb 0.43 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 3hqd s GLU 180 CO -0.01 -0.50 0.01 -0.98 -0.54 0.00 0.00 175.26 173.24 3hqd s ARG 181 N 1.47 3.47 1.12 4.30 3.03 -1.26 -4.64 118.95 126.43 3hqd s ARG 181 Ca 0.01 -0.58 -0.13 0.00 2.03 0.00 0.00 55.73 57.06 3hqd s ARG 181 Cb -0.18 -3.17 0.23 0.00 -1.03 0.00 0.00 34.95 30.80 3hqd s ARG 181 CO 0.02 -0.21 0.86 1.28 -1.13 0.00 0.00 175.30 176.12 3hqd n LEU 182 N 4.85 -0.70 -4.09 -1.89 4.77 -0.12 -4.94 117.00 114.88 3hqd n LEU 182 Ca -0.17 -0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.59 3hqd n LEU 182 Cb 0.51 -1.25 -0.13 0.00 -2.33 0.00 0.00 43.42 40.21 3hqd n LEU 182 CO 0.30 -3.09 -0.44 0.00 -1.33 0.00 0.00 177.39 172.82 3hqd s GLN 183 N -4.26 0.78 0.11 3.23 0.00 -1.25 -4.44 119.66 113.83 3hqd s GLN 183 Ca 0.66 -0.63 0.10 0.00 -0.00 0.00 0.00 55.36 55.49 3hqd s GLN 183 Cb -0.23 -0.73 -0.04 0.00 0.00 0.00 0.00 33.01 32.01 3hqd s GLN 183 CO 0.64 0.18 -0.25 0.00 0.00 0.00 0.00 175.29 175.86 3hqd s MET 184 N -0.98 1.56 0.11 9.60 0.23 -1.26 -0.75 119.30 127.81 3hqd s MET 184 Ca -0.00 -1.27 0.05 0.00 -1.03 0.00 0.00 55.69 53.44 3hqd s MET 184 Cb -0.07 -1.96 -0.04 0.00 -1.53 0.00 0.00 34.83 31.24 3hqd s MET 184 CO 0.01 0.47 -0.12 -0.06 -2.03 0.00 0.00 175.02 173.28 3hqd s PHE 185 N -1.02 1.25 0.27 3.16 0.40 0.41 -4.95 117.98 117.50 3hqd s PHE 185 Ca 0.14 -0.58 -0.30 0.00 -0.60 0.00 0.00 56.93 55.59 3hqd s PHE 185 Cb -0.10 -0.67 -0.11 0.00 0.51 0.00 0.00 43.02 42.65 3hqd s PHE 185 CO 0.06 0.08 1.54 -0.51 0.70 0.00 0.00 175.22 177.09 3hqd s ASP 186 N -2.39 6.49 -0.06 1.36 -0.00 -1.26 -0.12 116.67 120.69 3hqd s ASP 186 Ca 0.07 2.82 -0.30 0.00 -0.00 0.00 0.00 52.55 55.15 3hqd s ASP 186 Cb -0.05 -2.63 -0.06 0.00 -0.00 0.00 0.00 42.92 40.19 3hqd s ASP 186 CO 0.02 -0.83 1.68 -0.62 -0.00 0.00 0.00 175.17 175.42 3hqd s ASP 187 N 0.49 6.62 0.34 0.27 -1.08 -1.05 -4.69 116.67 117.56 3hqd s ASP 187 Ca 0.62 2.21 0.01 0.00 -0.52 0.00 0.00 52.55 54.88 3hqd s ASP 187 Cb -0.45 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.06 3hqd s ASP 187 CO 0.45 -0.97 2.00 -0.65 0.52 0.00 0.00 175.17 176.52 3hqd h PRO 188 N 9.76 0.89 0.00 4.34 0.11 -1.92 -2.82 132.00 142.36 3hqd h PRO 188 Ca -0.39 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3hqd h PRO 188 Cb 1.18 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3hqd h PRO 188 CO 0.96 0.60 -1.26 0.00 -0.21 0.00 0.00 178.00 178.09 3hqd h ARG 189 N 0.92 0.00 -4.84 1.05 3.08 -1.99 -3.44 114.38 109.16 3hqd h ARG 189 Ca 0.25 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.62 3hqd h ARG 189 Cb -0.09 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.64 3hqd h ARG 189 CO -0.05 0.20 -0.71 -0.80 -1.07 0.00 0.00 179.97 177.54 3hqd s ASN 190 N -5.67 4.65 0.00 7.04 0.02 -1.06 -4.95 114.94 114.97 3hqd s ASN 190 Ca -0.02 -1.02 0.22 0.00 -1.02 0.00 0.00 52.86 51.02 3hqd s ASN 190 Cb 0.09 -1.71 1.08 0.00 0.02 0.00 0.00 41.25 40.73 3hqd s ASN 190 CO 0.80 -0.19 1.72 2.29 0.02 0.00 0.00 177.10 181.74 3hqd n LYS 191 N 4.67 0.24 -0.00 -0.60 0.00 -1.26 -2.74 118.16 118.47 3hqd n LYS 191 Ca -0.15 0.09 0.03 0.00 -0.00 0.00 0.00 58.31 58.28 3hqd n LYS 191 Cb 0.46 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.94 3hqd n LYS 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3hqd n ARG 192 N -1.34 2.24 -1.20 -1.58 5.12 -1.26 -5.02 116.66 113.62 3hqd n ARG 192 Ca 0.09 -0.04 -0.02 0.00 -1.93 0.00 0.00 57.85 55.96 3hqd n ARG 192 Cb 0.20 -1.01 0.01 0.00 -1.16 0.00 0.00 32.46 30.49 3hqd n ARG 192 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hqd n GLY 193 N 1.68 1.90 3.28 -0.13 0.00 -1.11 -3.00 105.19 107.82 3hqd n GLY 193 Ca -0.00 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 3hqd n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqd s VAL 194 N 0.59 0.10 -0.09 1.61 0.11 -1.26 -2.54 120.40 118.92 3hqd s VAL 194 Ca 0.07 -1.13 0.03 0.00 -2.93 0.00 0.00 61.98 58.02 3hqd s VAL 194 Cb -0.01 -1.48 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 3hqd s VAL 194 CO 0.04 -0.46 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.53 3hqd s ILE 195 N -3.89 1.67 -0.44 7.04 -1.09 0.83 -4.67 121.20 120.65 3hqd s ILE 195 Ca 0.09 -0.79 -0.13 0.00 -2.23 0.00 0.00 60.65 57.59 3hqd s ILE 195 Cb 0.04 -1.47 0.07 0.00 -1.58 0.00 0.00 42.46 39.51 3hqd s ILE 195 CO -0.07 0.47 0.32 -0.63 -1.23 0.00 0.00 174.94 173.80 3hqd s ILE 196 N 0.50 4.78 0.19 2.92 1.09 -1.26 -0.45 121.20 128.96 3hqd s ILE 196 Ca -0.17 -1.16 -0.30 0.00 -1.10 0.00 0.00 60.65 57.92 3hqd s ILE 196 Cb -0.17 -3.86 -0.08 0.00 -1.06 0.00 0.00 42.46 37.29 3hqd s ILE 196 CO 0.06 -0.51 1.22 -0.75 -0.10 0.00 0.00 174.94 174.86 3hqd s LYS 197 N 1.55 4.47 0.00 2.79 2.36 0.08 -3.17 119.74 127.82 3hqd s LYS 197 Ca 0.03 1.90 0.00 0.00 -2.55 0.00 0.00 55.97 55.36 3hqd s LYS 197 Cb -0.23 -3.23 0.00 0.00 -1.05 0.00 0.00 37.83 33.32 3hqd s LYS 197 CO 0.05 -0.12 0.00 0.41 1.55 0.00 0.00 175.35 177.24 3hqd n GLY 198 N 2.22 0.65 3.64 5.54 0.00 -1.26 -3.76 105.19 112.23 3hqd n GLY 198 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3hqd n GLY 198 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hqd s LEU 199 N 0.00 3.97 -0.09 0.99 2.96 -1.19 -4.97 118.68 120.34 3hqd s LEU 199 Ca 0.00 1.23 -0.29 0.00 -0.22 0.00 0.00 54.13 54.85 3hqd s LEU 199 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 3hqd s LEU 199 CO 0.00 -0.92 1.84 -1.61 -1.32 0.00 0.00 176.35 174.35 3hqd s GLU 200 N 3.78 3.90 -0.35 1.98 0.41 -1.26 -4.95 118.70 122.21 3hqd s GLU 200 Ca 0.51 2.17 -0.03 0.00 -0.41 0.00 0.00 54.97 57.21 3hqd s GLU 200 Cb -0.15 -4.12 0.07 0.00 -1.78 0.00 0.00 34.13 28.15 3hqd s GLU 200 CO 0.17 -1.20 0.09 -1.21 -0.49 0.00 0.00 175.26 172.62 3hqd s GLU 201 N 4.72 2.29 -0.18 1.61 2.02 -1.26 -4.47 118.70 123.42 3hqd s GLU 201 Ca 0.82 -1.47 -0.13 0.00 0.02 0.00 0.00 54.97 54.21 3hqd s GLU 201 Cb -0.34 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 3hqd s GLU 201 CO 0.34 -0.80 0.27 0.42 0.02 0.00 0.00 175.26 175.52 3hqd s ILE 202 N 1.23 5.31 -0.08 -1.63 1.01 -0.06 -4.83 121.20 122.15 3hqd s ILE 202 Ca 0.01 0.49 -0.28 0.00 0.00 0.00 0.00 60.65 60.87 3hqd s ILE 202 Cb -0.21 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 3hqd s ILE 202 CO -0.02 0.38 0.91 -0.89 0.00 0.00 0.00 174.94 175.32 3hqd s THR 203 N 0.59 4.88 0.01 2.92 2.01 -1.26 -0.46 115.64 124.33 3hqd s THR 203 Ca 0.15 1.85 0.07 0.00 0.31 0.00 0.00 61.69 64.07 3hqd s THR 203 Cb -0.13 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 3hqd s THR 203 CO 0.03 0.10 -0.21 0.68 -0.69 0.00 0.00 174.62 174.54 3hqd s VAL 204 N 1.52 2.54 -0.68 3.82 -7.23 -0.16 -4.99 120.40 115.21 3hqd s VAL 204 Ca 0.45 -1.14 0.15 0.00 -1.81 0.00 0.00 61.98 59.64 3hqd s VAL 204 Cb -0.19 -2.00 -0.17 0.00 0.56 0.00 0.00 36.38 34.58 3hqd s VAL 204 CO 0.20 0.44 0.63 1.41 -0.31 0.00 0.00 175.10 177.47 3hqd n HIS 205 N 1.92 0.00 -3.82 2.82 8.25 -1.26 -4.12 115.22 119.02 3hqd n HIS 205 Ca -0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.24 3hqd n HIS 205 Cb 0.52 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.60 3hqd n HIS 205 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hqd s ASN 206 N -2.55 -0.14 0.15 0.41 2.20 -1.26 -5.04 114.94 108.70 3hqd s ASN 206 Ca 0.05 -0.64 -0.17 0.00 -0.94 0.00 0.00 52.86 51.15 3hqd s ASN 206 Cb 0.12 0.63 0.04 0.00 -2.00 0.00 0.00 41.25 40.03 3hqd s ASN 206 CO 0.64 -1.20 1.74 0.07 -2.94 0.00 0.00 177.10 175.41 3hqd h LYS 207 N 2.00 0.18 -0.75 3.55 2.10 -1.94 -2.59 116.57 119.14 3hqd h LYS 207 Ca -0.25 -0.01 0.15 0.00 -2.00 0.00 0.00 60.65 58.54 3hqd h LYS 207 Cb 1.24 -0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 32.43 3hqd h LYS 207 CO 0.29 0.12 0.25 -0.44 -2.00 0.00 0.00 179.45 177.68 3hqd h ASP 208 N 0.19 0.18 -0.34 7.07 3.32 -2.00 0.42 116.42 125.26 3hqd h ASP 208 Ca 0.14 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3hqd h ASP 208 Cb 0.15 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3hqd h ASP 208 CO -0.18 0.04 0.07 -0.33 -1.72 0.00 0.00 179.24 177.13 3hqd h GLU 209 N 0.37 0.55 -0.09 3.56 5.08 -1.89 -2.90 114.58 119.27 3hqd h GLU 209 Ca 0.42 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 3hqd h GLU 209 Cb 0.67 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3hqd h GLU 209 CO -0.44 0.61 -0.39 -0.24 -1.00 0.00 0.00 179.01 177.55 3hqd h VAL 210 N 0.40 1.30 -0.41 3.13 3.04 -0.92 -3.02 116.25 119.77 3hqd h VAL 210 Ca 0.11 -1.45 -0.07 0.00 -1.01 0.00 0.00 66.70 64.27 3hqd h VAL 210 Cb 0.32 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 3hqd h VAL 210 CO 0.00 0.43 -0.02 1.88 -1.01 0.00 0.00 177.57 178.85 3hqd h TYR 211 N 0.16 0.82 -0.45 3.17 0.05 -0.86 -0.19 116.97 119.68 3hqd h TYR 211 Ca 0.02 -0.15 0.04 0.00 0.05 0.00 0.00 58.73 58.68 3hqd h TYR 211 Cb 0.77 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 3hqd h TYR 211 CO 0.01 0.83 0.22 0.37 -1.05 0.00 0.00 178.16 178.54 3hqd h GLN 212 N 0.57 0.43 -0.02 4.88 -0.00 -1.45 -0.48 115.11 119.04 3hqd h GLN 212 Ca 0.11 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.66 3hqd h GLN 212 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 3hqd h GLN 212 CO 0.03 0.28 -0.36 0.82 0.00 0.00 0.00 178.83 179.60 3hqd h ILE 213 N 0.44 1.27 0.42 2.39 2.04 -1.39 -3.00 117.51 119.68 3hqd h ILE 213 Ca 0.19 -1.28 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 3hqd h ILE 213 Cb 0.10 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3hqd h ILE 213 CO -0.14 0.37 -0.20 0.25 0.00 0.00 0.00 178.15 178.43 3hqd h LEU 214 N 0.03 -0.48 -0.92 1.44 6.46 -0.10 -2.36 115.31 119.39 3hqd h LEU 214 Ca 0.00 -0.00 0.25 0.00 -0.12 0.00 0.00 57.88 58.01 3hqd h LEU 214 Cb 0.66 0.12 -0.14 0.00 -0.73 0.00 0.00 40.66 40.58 3hqd h LEU 214 CO 0.05 -0.05 0.38 -0.33 -0.62 0.00 0.00 178.44 177.87 3hqd h GLU 215 N -1.14 0.30 -0.23 1.25 4.39 -1.17 0.31 114.58 118.30 3hqd h GLU 215 Ca -0.06 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 3hqd h GLU 215 Cb 0.45 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3hqd h GLU 215 CO 0.10 0.20 -0.57 0.87 -1.16 0.00 0.00 179.01 178.45 3hqd h LYS 216 N 0.31 0.73 0.20 2.33 1.57 -1.60 -2.42 116.57 117.69 3hqd h LYS 216 Ca 0.60 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3hqd h LYS 216 Cb 1.23 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3hqd h LYS 216 CO -0.60 1.10 -0.10 0.78 -0.57 0.00 0.00 179.45 180.06 3hqd h GLY 217 N 0.86 -0.28 0.81 3.86 0.00 -0.23 -2.39 103.07 105.69 3hqd h GLY 217 Ca 0.01 0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.56 3hqd h GLY 217 CO 0.12 -0.10 0.49 0.00 0.00 0.00 0.00 176.54 177.04 3hqd h ALA 218 N 0.05 1.95 0.00 3.60 0.00 -0.58 0.14 119.26 124.42 3hqd h ALA 218 Ca -0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hqd h ALA 218 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hqd h ALA 218 CO 0.04 -0.13 -0.34 0.00 0.00 0.00 0.00 179.25 178.82 3hqd h ALA 219 N 1.64 0.95 0.00 0.00 0.00 -1.37 -2.92 119.26 117.56 3hqd h ALA 219 Ca 0.35 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3hqd h ALA 219 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hqd h ALA 219 CO -0.12 0.43 -0.40 0.87 0.00 0.00 0.00 179.25 180.02 3hqd h LYS 220 N 0.00 0.00 -6.41 0.00 1.79 -0.22 -3.46 116.57 108.27 3hqd h LYS 220 Ca -0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 3hqd h LYS 220 Cb 0.93 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.62 3hqd h LYS 220 CO 0.04 0.40 0.95 -2.13 -1.08 0.00 0.00 179.45 177.64 3hqd n ARG 221 N -3.27 2.23 -1.58 3.15 0.00 -0.85 -4.83 116.66 111.51 3hqd n ARG 221 Ca 0.02 0.81 -0.46 0.00 -0.00 0.00 0.00 57.85 58.22 3hqd n ARG 221 Cb 0.64 -2.63 -0.04 0.00 0.00 0.00 0.00 32.46 30.44 3hqd n ARG 221 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3hqd n THR 222 N 4.25 0.39 -4.44 5.15 -1.04 -1.26 -4.95 114.28 112.39 3hqd n THR 222 Ca 0.19 -0.31 -0.21 0.00 -2.04 0.00 0.00 64.05 61.69 3hqd n THR 222 Cb 0.30 -2.16 -0.16 0.00 -1.82 0.00 0.00 70.33 66.49 3hqd n THR 222 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hqd s THR 223 N 6.83 0.86 0.11 12.58 2.01 -1.26 -1.42 115.64 135.34 3hqd s THR 223 Ca 1.00 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 62.59 3hqd s THR 223 Cb -0.56 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 3hqd s THR 223 CO 0.43 0.27 0.06 0.00 -0.69 0.00 0.00 174.62 174.69 3hqd s ALA 224 N 0.24 0.65 0.15 7.40 0.00 -0.47 -4.94 121.76 124.79 3hqd s ALA 224 Ca -0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 3hqd s ALA 224 Cb -0.10 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.66 3hqd s ALA 224 CO 0.01 -0.47 0.48 0.00 0.00 0.00 0.00 175.76 175.78 3hqd s ALA 225 N -4.00 3.64 0.25 0.00 0.00 -1.21 -0.91 121.76 119.53 3hqd s ALA 225 Ca 0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 3hqd s ALA 225 Cb 0.07 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 3hqd s ALA 225 CO -0.02 0.53 0.32 0.95 0.00 0.00 0.00 175.76 177.54 3hqd s THR 226 N -1.57 0.00 0.20 0.00 -4.23 -0.36 -4.96 115.64 104.72 3hqd s THR 226 Ca 0.39 -1.72 0.32 0.00 -1.18 0.00 0.00 61.69 59.51 3hqd s THR 226 Cb -0.13 -2.41 0.36 0.00 1.34 0.00 0.00 72.50 71.65 3hqd s THR 226 CO 0.20 0.00 2.00 -0.07 -0.54 0.00 0.00 174.62 176.21 3hqd h LEU 227 N 2.37 0.00 0.13 4.79 3.38 -1.29 -3.00 115.31 121.68 3hqd h LEU 227 Ca -0.30 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.35 3hqd h LEU 227 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3hqd h LEU 227 CO 0.43 0.06 -1.62 0.24 0.09 0.00 0.00 178.44 177.63 3hqd h MET 228 N 0.00 0.27 -2.36 1.13 2.86 -1.78 -3.46 114.93 111.58 3hqd h MET 228 Ca -0.00 -0.45 -0.17 0.00 -2.06 0.00 0.00 59.70 57.02 3hqd h MET 228 Cb 0.49 0.17 -0.30 0.00 0.06 0.00 0.00 31.60 32.01 3hqd h MET 228 CO 0.01 1.13 -0.47 1.21 1.06 0.00 0.00 176.91 179.84 3hqd s ASN 229 N -7.00 0.23 0.55 1.22 3.84 -1.13 -4.72 114.94 107.93 3hqd s ASN 229 Ca -0.11 0.50 0.27 0.00 0.21 0.00 0.00 52.86 53.72 3hqd s ASN 229 Cb 0.07 1.02 1.58 0.00 -0.55 0.00 0.00 41.25 43.37 3hqd s ASN 229 CO 0.85 -0.27 2.15 0.00 -2.79 0.00 0.00 177.10 177.04 3hqd h ALA 230 N 8.22 1.46 -1.75 1.71 0.00 -1.85 -0.89 119.26 126.14 3hqd h ALA 230 Ca -0.17 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 3hqd h ALA 230 Cb 1.13 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.50 3hqd h ALA 230 CO 0.20 0.08 -0.81 0.66 0.00 0.00 0.00 179.25 179.38 3hqd n TYR 231 N -3.83 3.03 -2.37 0.00 4.01 -1.26 -3.34 117.16 113.41 3hqd n TYR 231 Ca -0.02 -3.44 -0.38 0.00 -0.16 0.00 0.00 57.90 53.90 3hqd n TYR 231 Cb 0.16 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 3hqd n TYR 231 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hqd s SER 232 N -3.36 6.71 -0.19 7.72 0.15 -0.09 -4.81 113.70 119.83 3hqd s SER 232 Ca 0.45 2.28 -0.23 0.00 0.70 0.00 0.00 55.95 59.14 3hqd s SER 232 Cb 0.36 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 3hqd s SER 232 CO -0.13 -0.54 0.75 -0.44 1.20 0.00 0.00 173.24 174.08 3hqd s SER 233 N -1.16 6.82 -0.14 5.45 0.01 -1.26 -1.37 113.70 122.05 3hqd s SER 233 Ca 0.55 1.01 0.13 0.00 1.31 0.00 0.00 55.95 58.95 3hqd s SER 233 Cb -0.29 -2.41 0.63 0.00 0.21 0.00 0.00 66.02 64.16 3hqd s SER 233 CO 0.37 -0.37 1.49 0.54 0.41 0.00 0.00 173.24 175.68 3hqd n ARG 234 N 5.30 3.69 -3.70 12.44 5.12 -0.51 -4.57 116.66 134.43 3hqd n ARG 234 Ca 0.02 -2.43 -0.08 0.00 -1.93 0.00 0.00 57.85 53.43 3hqd n ARG 234 Cb 0.49 -1.95 -0.02 0.00 -1.16 0.00 0.00 32.46 29.82 3hqd n ARG 234 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3hqd s SER 235 N -0.72 -0.32 -0.19 0.55 1.04 -1.26 -4.67 113.70 108.12 3hqd s SER 235 Ca 0.43 -0.37 -0.16 0.00 0.48 0.00 0.00 55.95 56.33 3hqd s SER 235 Cb 0.30 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 67.00 3hqd s SER 235 CO 0.16 -1.10 0.39 -1.00 0.98 0.00 0.00 173.24 172.67 3hqd s HIS 236 N -3.68 3.39 -0.15 5.02 3.76 -1.04 -3.64 115.29 118.96 3hqd s HIS 236 Ca 0.08 0.62 -0.06 0.00 -0.15 0.00 0.00 55.06 55.56 3hqd s HIS 236 Cb -0.03 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 3hqd s HIS 236 CO -0.00 0.03 0.07 -1.54 -0.85 0.00 0.00 174.74 172.44 3hqd s SER 237 N 0.96 5.74 -0.30 1.40 1.04 -0.29 -0.24 113.70 122.02 3hqd s SER 237 Ca 0.19 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.84 3hqd s SER 237 Cb -0.15 -1.89 0.08 0.00 0.10 0.00 0.00 66.02 64.17 3hqd s SER 237 CO 0.08 0.27 -0.03 -0.69 0.98 0.00 0.00 173.24 173.85 3hqd s VAL 238 N -0.23 2.27 -0.27 5.02 1.01 0.10 -1.38 120.40 126.92 3hqd s VAL 238 Ca 0.08 -1.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.01 3hqd s VAL 238 Cb -0.12 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 3hqd s VAL 238 CO 0.01 -0.29 0.21 0.12 0.00 0.00 0.00 175.10 175.15 3hqd s PHE 239 N 1.02 3.24 -0.11 5.22 2.19 -0.67 -2.18 117.98 126.69 3hqd s PHE 239 Ca -0.00 0.17 0.03 0.00 0.33 0.00 0.00 56.93 57.46 3hqd s PHE 239 Cb -0.20 -2.39 0.01 0.00 -1.31 0.00 0.00 43.02 39.13 3hqd s PHE 239 CO -0.06 -0.14 -0.20 -1.12 1.83 0.00 0.00 175.22 175.53 3hqd s SER 240 N 1.65 2.79 -0.12 6.13 0.01 0.70 -0.70 113.70 124.17 3hqd s SER 240 Ca 0.08 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.83 3hqd s SER 240 Cb -0.16 -1.28 -0.02 0.00 0.21 0.00 0.00 66.02 64.78 3hqd s SER 240 CO 0.10 0.09 -0.11 0.68 0.41 0.00 0.00 173.24 174.40 3hqd s VAL 241 N 0.69 3.25 -0.11 3.43 -7.23 -0.77 -0.84 120.40 118.82 3hqd s VAL 241 Ca -0.12 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 3hqd s VAL 241 Cb -0.16 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.42 3hqd s VAL 241 CO 0.02 0.53 -0.22 -0.89 -0.31 0.00 0.00 175.10 174.24 3hqd s THR 242 N 0.13 1.94 -0.18 5.32 2.01 0.61 -1.35 115.64 124.13 3hqd s THR 242 Ca -0.05 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.02 3hqd s THR 242 Cb -0.15 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.69 3hqd s THR 242 CO 0.04 0.53 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.69 3hqd s ILE 243 N 0.56 2.01 -0.23 1.82 1.01 0.50 -1.60 121.20 125.27 3hqd s ILE 243 Ca -0.14 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 3hqd s ILE 243 Cb -0.17 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3hqd s ILE 243 CO 0.05 0.50 0.27 -1.00 0.00 0.00 0.00 174.94 174.76 3hqd s HIS 244 N 1.30 3.34 -0.08 3.97 3.76 -0.89 -0.90 115.29 125.79 3hqd s HIS 244 Ca 0.04 0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.39 3hqd s HIS 244 Cb -0.13 -2.40 0.00 0.00 1.11 0.00 0.00 32.58 31.16 3hqd s HIS 244 CO -0.12 0.02 -0.19 -1.64 -0.85 0.00 0.00 174.74 171.95 3hqd s MET 245 N 1.23 2.38 -0.06 1.40 -1.94 -0.19 -1.89 119.30 120.24 3hqd s MET 245 Ca 0.13 -0.67 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3hqd s MET 245 Cb -0.14 -1.87 0.02 0.00 2.01 0.00 0.00 34.83 34.85 3hqd s MET 245 CO 0.06 0.13 -0.07 0.21 -0.01 0.00 0.00 175.02 175.35 3hqd s LYS 246 N 0.42 1.14 0.03 2.03 2.20 0.54 -1.48 119.74 124.62 3hqd s LYS 246 Ca -0.15 -0.20 -0.06 0.00 -0.36 0.00 0.00 55.97 55.20 3hqd s LYS 246 Cb -0.16 -1.08 -0.01 0.00 -1.51 0.00 0.00 37.83 35.06 3hqd s LYS 246 CO 0.06 -0.08 0.10 -1.83 -0.36 0.00 0.00 175.35 173.24 3hqd s GLU 247 N 0.98 0.56 -0.19 4.03 -1.05 -0.54 -0.63 118.70 121.86 3hqd s GLU 247 Ca -0.10 -0.69 -0.03 0.00 -0.15 0.00 0.00 54.97 54.00 3hqd s GLU 247 Cb -0.14 0.22 -0.01 0.00 -0.44 0.00 0.00 34.13 33.76 3hqd s GLU 247 CO 0.00 -0.14 -0.06 0.99 0.95 0.00 0.00 175.26 177.00 3hqd s THR 248 N -2.39 3.36 0.81 1.83 2.01 -1.26 0.05 115.64 120.05 3hqd s THR 248 Ca -0.07 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 3hqd s THR 248 Cb -0.02 -2.49 0.09 0.00 0.01 0.00 0.00 72.50 70.09 3hqd s THR 248 CO -0.04 0.45 1.17 0.42 -0.69 0.00 0.00 174.62 175.94 3hqd s THR 249 N 1.10 2.05 -1.30 -0.82 -4.23 0.43 -4.89 115.64 107.97 3hqd s THR 249 Ca 0.01 -0.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 3hqd s THR 249 Cb -0.15 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.77 3hqd s THR 249 CO -0.01 0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.11 3hqd n ILE 250 N -3.31 1.16 1.23 2.99 0.13 -1.26 -0.36 119.36 119.94 3hqd n ILE 250 Ca 0.09 0.29 0.13 0.00 -1.10 0.00 0.00 62.75 62.16 3hqd n ILE 250 Cb 0.61 -1.21 0.29 0.00 -0.84 0.00 0.00 39.64 38.49 3hqd n ILE 250 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 3hqd n ASP 251 N -1.35 1.88 0.00 9.51 10.43 -1.26 -4.93 116.55 130.83 3hqd n ASP 251 Ca 0.02 -1.50 0.00 0.00 2.57 0.00 0.00 54.79 55.88 3hqd n ASP 251 Cb 0.04 0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.11 3hqd n ASP 251 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hqd n GLY 252 N 1.30 1.30 3.74 0.44 0.00 0.51 -5.03 105.19 107.45 3hqd n GLY 252 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3hqd n GLY 252 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqd s GLU 253 N -0.41 4.79 -0.27 1.61 2.02 -1.26 -4.77 118.70 120.42 3hqd s GLU 253 Ca 0.00 1.50 -0.12 0.00 0.02 0.00 0.00 54.97 56.37 3hqd s GLU 253 Cb 0.00 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 3hqd s GLU 253 CO 0.00 0.39 0.23 -1.21 0.02 0.00 0.00 175.26 174.69 3hqd s GLU 254 N -0.77 3.99 -0.10 1.61 2.02 -1.26 -0.43 118.70 123.76 3hqd s GLU 254 Ca 0.43 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 55.20 3hqd s GLU 254 Cb -0.26 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 3hqd s GLU 254 CO 0.32 -0.15 -0.05 -0.51 0.02 0.00 0.00 175.26 174.88 3hqd s LEU 255 N 1.69 3.23 -0.27 1.80 1.43 0.11 -4.95 118.68 121.72 3hqd s LEU 255 Ca 0.09 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3hqd s LEU 255 Cb -0.15 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.41 3hqd s LEU 255 CO 0.10 0.29 0.02 -0.69 0.23 0.00 0.00 176.35 176.29 3hqd s VAL 256 N -0.34 1.28 0.13 -1.59 1.01 -1.26 -1.46 120.40 118.17 3hqd s VAL 256 Ca 0.05 -1.34 0.09 0.00 0.00 0.00 0.00 61.98 60.79 3hqd s VAL 256 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3hqd s VAL 256 CO 0.02 -0.37 -0.19 -1.59 0.00 0.00 0.00 175.10 172.97 3hqd s LYS 257 N 1.46 1.72 -0.12 2.72 -2.85 -0.55 -4.82 119.74 117.30 3hqd s LYS 257 Ca 0.02 -1.23 0.02 0.00 -1.00 0.00 0.00 55.97 53.78 3hqd s LYS 257 Cb -0.18 -2.07 0.01 0.00 -2.06 0.00 0.00 37.83 33.54 3hqd s LYS 257 CO -0.13 0.47 -0.17 0.42 0.10 0.00 0.00 175.35 176.04 3hqd s ILE 258 N -1.19 1.66 0.14 3.79 1.01 -1.26 -1.02 121.20 124.32 3hqd s ILE 258 Ca 0.18 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.17 3hqd s ILE 258 Cb -0.10 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3hqd s ILE 258 CO 0.10 0.47 -0.06 -0.83 0.00 0.00 0.00 174.94 174.62 3hqd s GLY 259 N 1.00 1.78 -0.08 6.18 0.00 -0.08 -4.33 107.32 111.78 3hqd s GLY 259 Ca -0.05 -1.31 -0.07 0.00 0.00 0.00 0.00 44.72 43.30 3hqd s GLY 259 CO -0.03 -1.30 0.21 1.25 0.00 0.00 0.00 173.10 173.23 3hqd s LYS 260 N -2.56 0.22 -0.11 2.90 2.20 -0.93 -0.37 119.74 121.10 3hqd s LYS 260 Ca 0.24 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 3hqd s LYS 260 Cb -0.10 0.05 0.02 0.00 -1.51 0.00 0.00 37.83 36.29 3hqd s LYS 260 CO 0.16 -0.07 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.81 3hqd s LEU 261 N 0.42 1.43 -0.26 5.43 2.96 -0.45 0.48 118.68 128.69 3hqd s LEU 261 Ca -0.03 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 3hqd s LEU 261 Cb -0.04 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 3hqd s LEU 261 CO -0.02 -0.06 0.08 0.20 -1.32 0.00 0.00 176.35 175.24 3hqd s ASN 262 N 1.33 5.20 -0.38 3.68 0.02 0.11 -1.84 114.94 123.06 3hqd s ASN 262 Ca -0.01 -0.30 -0.07 0.00 -1.02 0.00 0.00 52.86 51.46 3hqd s ASN 262 Cb -0.14 -1.93 0.07 0.00 0.02 0.00 0.00 41.25 39.27 3hqd s ASN 262 CO -0.05 -0.07 0.19 -0.76 0.02 0.00 0.00 177.10 176.43 3hqd s LEU 263 N 1.61 4.82 -0.19 0.60 1.43 0.12 -0.68 118.68 126.38 3hqd s LEU 263 Ca 0.06 -1.41 -0.05 0.00 -1.03 0.00 0.00 54.13 51.70 3hqd s LEU 263 Cb -0.16 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 3hqd s LEU 263 CO 0.04 -0.45 -0.01 -0.69 0.23 0.00 0.00 176.35 175.47 3hqd s VAL 264 N 1.38 3.94 -0.54 -1.59 1.01 0.12 -1.68 120.40 123.04 3hqd s VAL 264 Ca 0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3hqd s VAL 264 Cb -0.22 -2.77 0.14 0.00 0.00 0.00 0.00 36.38 33.53 3hqd s VAL 264 CO 0.02 0.44 0.37 -0.62 0.00 0.00 0.00 175.10 175.31 3hqd s ASP 265 N 0.90 5.45 0.74 3.32 3.68 -0.48 -0.88 116.67 129.40 3hqd s ASP 265 Ca 0.01 -2.41 -0.11 0.00 2.13 0.00 0.00 52.55 52.17 3hqd s ASP 265 Cb -0.14 -1.90 0.04 0.00 -1.45 0.00 0.00 42.92 39.46 3hqd s ASP 265 CO 0.02 -0.50 1.08 -0.76 0.13 0.00 0.00 175.17 175.13 3hqd s LEU 266 N 0.60 2.96 0.88 -1.34 1.43 -1.18 -1.13 118.68 120.90 3hqd s LEU 266 Ca 0.12 1.60 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 3hqd s LEU 266 Cb -0.21 -4.36 0.15 0.00 0.03 0.00 0.00 46.19 41.79 3hqd s LEU 266 CO -0.03 -1.75 1.24 0.00 0.23 0.00 0.00 176.35 176.03 3hqd s ALA 267 N -3.02 2.49 0.17 4.21 0.00 -1.24 -4.85 121.76 119.52 3hqd s ALA 267 Ca 0.60 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.62 3hqd s ALA 267 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3hqd s ALA 267 CO 0.55 -2.06 -0.15 0.20 0.00 0.00 0.00 175.76 174.30 3hqd s GLY 268 N -4.75 1.30 0.31 0.00 0.00 -1.26 -4.73 107.32 98.19 3hqd s GLY 268 Ca 0.69 -1.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 3hqd s GLY 268 CO 0.51 -1.58 1.22 -1.14 0.00 0.00 0.00 173.10 172.11 3hqd n SER 269 N 0.05 2.30 -3.76 1.64 3.41 -1.25 -4.39 113.62 111.63 3hqd n SER 269 Ca -0.11 1.19 -0.13 0.00 -0.26 0.00 0.00 58.87 59.55 3hqd n SER 269 Cb 0.59 -1.41 -0.14 0.00 -0.26 0.00 0.00 64.21 62.99 3hqd n SER 269 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hqd s GLU 270 N -1.54 0.14 -0.38 4.33 2.12 -1.26 -1.71 118.70 120.40 3hqd s GLU 270 Ca 0.59 0.36 -0.18 0.00 0.36 0.00 0.00 54.97 56.10 3hqd s GLU 270 Cb -0.63 -0.09 0.00 0.00 0.26 0.00 0.00 34.13 33.68 3hqd s GLU 270 CO 0.60 -0.13 0.51 1.21 -0.54 0.00 0.00 175.26 176.91 3hqd s ASN 271 N 0.89 6.29 0.30 -1.70 3.84 -1.26 -4.96 114.94 118.34 3hqd s ASN 271 Ca -0.07 -0.20 0.02 0.00 0.21 0.00 0.00 52.86 52.82 3hqd s ASN 271 Cb -0.08 -2.26 0.47 0.00 -0.55 0.00 0.00 41.25 38.82 3hqd s ASN 271 CO -0.05 -0.54 1.81 0.16 -2.79 0.00 0.00 177.10 175.69 3hqd h ILE 272 N 5.67 1.23 -0.72 -5.21 -2.65 -1.96 0.11 117.51 113.97 3hqd h ILE 272 Ca -0.27 -0.94 0.08 0.00 1.03 0.00 0.00 64.86 64.76 3hqd h ILE 272 Cb 1.12 0.97 -0.05 0.00 -2.05 0.00 0.00 36.82 36.81 3hqd h ILE 272 CO 0.79 0.32 0.47 1.23 0.03 0.00 0.00 178.15 181.00 3hqd h GLY 273 N 0.92 0.90 1.31 0.16 0.00 -1.93 0.62 103.07 105.05 3hqd h GLY 273 Ca 0.12 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 3hqd h GLY 273 CO 0.02 0.17 -1.15 -0.09 0.00 0.00 0.00 176.54 175.50 3hqd h ARG 274 N 0.66 0.00 0.00 4.80 2.43 -1.79 -3.35 114.38 117.14 3hqd h ARG 274 Ca 0.32 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.41 3hqd h ARG 274 Cb 0.40 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3hqd h ARG 274 CO -0.11 0.38 -1.37 -1.13 -1.51 0.00 0.00 179.97 176.22 3hqd n SER 275 N -3.00 0.69 0.00 -3.80 3.41 0.32 -4.46 113.62 106.79 3hqd n SER 275 Ca -0.06 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3hqd n SER 275 Cb 0.82 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 3hqd n SER 275 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hqd n GLY 276 N 1.31 0.53 3.73 5.00 0.00 0.21 -0.92 105.19 115.04 3hqd n GLY 276 Ca -0.06 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3hqd n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqd s ALA 277 N -2.00 3.73 0.09 4.61 0.00 -1.22 -4.99 121.76 121.98 3hqd s ALA 277 Ca 0.00 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 3hqd s ALA 277 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3hqd s ALA 277 CO 0.00 -0.78 0.10 0.14 0.00 0.00 0.00 175.76 175.22 3hqd s VAL 278 N 0.74 0.16 0.00 0.00 -7.23 -1.26 -4.34 120.40 108.47 3hqd s VAL 278 Ca 0.66 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3hqd s VAL 278 Cb -0.43 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 34.93 3hqd s VAL 278 CO 0.36 -0.71 0.00 0.47 -0.31 0.00 0.00 175.10 174.90 3hqd n ASP 279 N -0.02 0.00 0.10 4.85 8.00 -1.26 -1.90 116.55 126.32 3hqd n ASP 279 Ca -0.12 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.24 3hqd n ASP 279 Cb 0.62 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.66 3hqd n ASP 279 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3hqd h LYS 280 N 0.00 -0.56 -0.90 -1.24 1.63 -1.99 -0.91 116.57 112.59 3hqd h LYS 280 Ca 0.00 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3hqd h LYS 280 Cb 0.00 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 3hqd h LYS 280 CO 0.00 -0.37 0.55 0.00 -3.45 0.00 0.00 179.45 176.18 3hqd h ARG 281 N -0.58 1.22 -0.19 1.90 2.47 -1.76 -2.01 114.38 115.44 3hqd h ARG 281 Ca 0.04 -0.11 -0.12 0.00 -1.26 0.00 0.00 59.98 58.53 3hqd h ARG 281 Cb 0.63 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 3hqd h ARG 281 CO -0.24 0.85 -0.39 0.00 0.56 0.00 0.00 179.97 180.75 3hqd h ALA 282 N 1.36 0.98 -0.54 0.04 0.00 -1.35 -0.26 119.26 119.50 3hqd h ALA 282 Ca 0.33 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hqd h ALA 282 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hqd h ALA 282 CO -0.06 0.61 0.03 -0.09 0.00 0.00 0.00 179.25 179.74 3hqd h ARG 283 N 0.35 0.94 -0.21 0.00 2.43 -0.74 -0.37 114.38 116.78 3hqd h ARG 283 Ca 0.03 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 3hqd h ARG 283 Cb 0.84 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3hqd h ARG 283 CO 0.07 0.93 0.05 0.93 -1.51 0.00 0.00 179.97 180.44 3hqd h GLU 284 N 0.82 0.34 -0.81 0.20 5.08 -1.04 -2.40 114.58 116.76 3hqd h GLU 284 Ca 0.16 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3hqd h GLU 284 Cb 0.49 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3hqd h GLU 284 CO 0.02 0.46 0.53 0.00 -1.00 0.00 0.00 179.01 179.03 3hqd h ALA 285 N 0.86 1.56 0.08 3.43 0.00 -0.82 0.31 119.26 124.68 3hqd h ALA 285 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hqd h ALA 285 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hqd h ALA 285 CO 0.00 0.34 -0.04 0.78 0.00 0.00 0.00 179.25 180.34 3hqd h GLY 286 N 0.95 -0.11 0.97 0.00 0.00 -0.76 0.13 103.07 104.25 3hqd h GLY 286 Ca 0.34 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 3hqd h GLY 286 CO -0.11 -0.04 0.11 3.43 0.00 0.00 0.00 176.54 179.94 3hqd h ASN 287 N -0.14 0.75 0.23 0.19 2.35 -0.88 -0.44 115.58 117.64 3hqd h ASN 287 Ca -0.01 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3hqd h ASN 287 Cb 0.12 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3hqd h ASN 287 CO 0.02 0.79 -0.23 0.40 -1.65 0.00 0.00 177.43 176.76 3hqd h ILE 288 N 0.67 0.50 -0.78 2.81 2.04 -0.24 0.88 117.51 123.40 3hqd h ILE 288 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 3hqd h ILE 288 Cb 0.34 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3hqd h ILE 288 CO 0.00 0.00 0.37 0.78 0.00 0.00 0.00 178.15 179.31 3hqd h ASN 289 N -0.50 1.01 0.03 1.72 2.35 -0.65 -0.57 115.58 118.98 3hqd h ASN 289 Ca -0.00 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3hqd h ASN 289 Cb 0.46 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3hqd h ASN 289 CO -0.05 0.86 -0.01 1.56 -1.65 0.00 0.00 177.43 178.13 3hqd h GLN 290 N 1.11 -0.04 -0.38 0.81 1.08 -0.84 0.13 115.11 116.99 3hqd h GLN 290 Ca 0.27 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.43 3hqd h GLN 290 Cb 0.11 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 3hqd h GLN 290 CO -0.03 0.21 0.06 0.66 -0.95 0.00 0.00 178.83 178.77 3hqd h SER 291 N -0.28 0.52 0.82 1.46 4.64 -0.68 0.51 113.55 120.55 3hqd h SER 291 Ca -0.00 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.13 3hqd h SER 291 Cb 0.26 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3hqd h SER 291 CO 0.01 0.55 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.94 3hqd h LEU 292 N 0.55 0.00 -0.17 5.97 3.38 -0.96 -1.29 115.31 122.79 3hqd h LEU 292 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hqd h LEU 292 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hqd h LEU 292 CO 0.00 0.51 -0.10 0.25 0.09 0.00 0.00 178.44 179.19 3hqd h LEU 293 N 0.00 0.38 -0.44 1.67 5.85 0.89 -2.03 115.31 121.64 3hqd h LEU 293 Ca -0.01 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hqd h LEU 293 Cb 1.06 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3hqd h LEU 293 CO 0.07 0.73 0.23 0.74 -0.34 0.00 0.00 178.44 179.87 3hqd h THR 294 N 0.03 1.00 -0.83 1.05 2.02 -0.80 -0.26 112.91 115.13 3hqd h THR 294 Ca 0.03 -0.16 0.15 0.00 0.77 0.00 0.00 66.41 67.20 3hqd h THR 294 Cb 0.60 0.49 -0.09 0.00 -1.74 0.00 0.00 68.15 67.40 3hqd h THR 294 CO 0.03 0.09 0.41 0.25 0.37 0.00 0.00 175.52 176.66 3hqd h LEU 295 N 0.47 0.47 -0.84 2.58 6.46 -1.11 0.83 115.31 124.19 3hqd h LEU 295 Ca 0.18 0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.98 3hqd h LEU 295 Cb 0.06 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 3hqd h LEU 295 CO -0.11 0.19 0.15 1.23 -0.62 0.00 0.00 178.44 179.29 3hqd h GLY 296 N 0.58 1.10 0.98 3.75 0.00 -0.40 -1.07 103.07 108.02 3hqd h GLY 296 Ca 0.45 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3hqd h GLY 296 CO -0.37 0.63 0.14 3.21 0.00 0.00 0.00 176.54 180.15 3hqd h ARG 297 N 0.98 0.83 0.61 4.80 3.08 0.70 -1.66 114.38 123.72 3hqd h ARG 297 Ca 0.21 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3hqd h ARG 297 Cb 0.35 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.29 3hqd h ARG 297 CO 0.00 0.78 -0.29 0.28 -1.07 0.00 0.00 179.97 179.67 3hqd h VAL 298 N 0.73 0.40 -0.25 2.04 2.07 -0.68 0.30 116.25 120.86 3hqd h VAL 298 Ca 0.17 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.74 3hqd h VAL 298 Cb 0.31 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3hqd h VAL 298 CO -0.00 0.00 -0.30 0.40 0.02 0.00 0.00 177.57 177.69 3hqd h ILE 299 N -0.83 0.30 -0.85 4.57 2.04 -1.14 0.37 117.51 121.98 3hqd h ILE 299 Ca -0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3hqd h ILE 299 Cb 0.63 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3hqd h ILE 299 CO 0.14 0.00 0.56 0.74 0.00 0.00 0.00 178.15 179.59 3hqd h THR 300 N -0.31 1.20 -0.79 -0.27 2.02 -1.20 -1.90 112.91 111.66 3hqd h THR 300 Ca 0.13 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.94 3hqd h THR 300 Cb 0.52 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 3hqd h THR 300 CO -0.42 0.21 0.52 0.00 0.37 0.00 0.00 175.52 176.19 3hqd h ALA 301 N 1.32 1.47 -0.29 6.16 0.00 0.77 0.18 119.26 128.87 3hqd h ALA 301 Ca 0.32 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 3hqd h ALA 301 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3hqd h ALA 301 CO -0.08 0.48 -0.26 -0.07 0.00 0.00 0.00 179.25 179.32 3hqd h LEU 302 N 1.03 0.73 0.05 0.00 3.38 -0.21 -1.33 115.31 118.97 3hqd h LEU 302 Ca 0.30 -0.46 -0.24 0.00 0.09 0.00 0.00 57.88 57.56 3hqd h LEU 302 Cb -0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3hqd h LEU 302 CO -0.07 1.04 -1.12 -0.37 0.09 0.00 0.00 178.44 178.01 3hqd h VAL 303 N 0.43 1.60 0.00 1.22 -1.51 -1.12 -3.15 116.25 113.73 3hqd h VAL 303 Ca 0.05 -3.22 0.00 0.00 -1.23 0.00 0.00 66.70 62.29 3hqd h VAL 303 Cb 0.82 2.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.87 3hqd h VAL 303 CO 0.07 0.93 0.00 -0.62 -1.23 0.00 0.00 177.57 176.72 3hqd n GLU 304 N -3.45 0.20 -1.99 5.19 4.71 0.59 -4.91 120.64 120.97 3hqd n GLU 304 Ca -0.04 0.01 -0.16 0.00 -0.01 0.00 0.00 57.16 56.96 3hqd n GLU 304 Cb 0.98 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.88 3hqd n GLU 304 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3hqd n ARG 305 N -1.40 -1.21 -2.06 3.49 5.12 -0.69 -4.97 116.66 114.94 3hqd n ARG 305 Ca 0.10 0.88 -0.40 0.00 -1.93 0.00 0.00 57.85 56.50 3hqd n ARG 305 Cb 0.28 -5.19 -0.01 0.00 -1.16 0.00 0.00 32.46 26.38 3hqd n ARG 305 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hqd s THR 306 N -2.72 2.61 0.00 0.55 -4.23 -0.59 -4.97 115.64 106.29 3hqd s THR 306 Ca 0.00 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3hqd s THR 306 Cb 0.00 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.47 3hqd s THR 306 CO 0.00 0.12 0.86 -2.65 -0.54 0.00 0.00 174.62 172.41 3hqd n PRO 307 N 0.54 0.00 -3.19 3.99 -0.02 -1.26 -4.35 135.00 130.71 3hqd n PRO 307 Ca 0.01 0.80 -0.45 0.00 -2.02 0.00 0.00 63.50 61.84 3hqd n PRO 307 Cb 0.42 -1.36 -0.04 0.00 -0.02 0.00 0.00 33.50 32.50 3hqd n PRO 307 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3hqd s HIS 308 N -2.43 3.19 -0.09 6.00 3.76 -1.26 -5.03 115.29 119.43 3hqd s HIS 308 Ca 0.00 -1.24 -0.29 0.00 -0.15 0.00 0.00 55.06 53.38 3hqd s HIS 308 Cb 0.00 -3.94 -0.05 0.00 1.11 0.00 0.00 32.58 29.70 3hqd s HIS 308 CO 0.00 -1.18 1.76 0.08 -0.85 0.00 0.00 174.74 174.55 3hqd s VAL 309 N 1.99 3.45 0.00 -0.90 1.01 -1.26 -4.85 120.40 119.83 3hqd s VAL 309 Ca 0.11 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.62 3hqd s VAL 309 Cb -0.23 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3hqd s VAL 309 CO 0.02 -0.10 0.57 -0.81 0.00 0.00 0.00 175.10 174.78 3hqd n PRO 310 N 7.48 0.26 -0.26 2.72 -0.04 -1.26 -4.54 135.00 139.37 3hqd n PRO 310 Ca 0.19 -0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 3hqd n PRO 310 Cb 0.43 -1.42 0.21 0.00 -0.04 0.00 0.00 33.50 32.68 3hqd n PRO 310 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3hqd h TYR 311 N 3.61 0.47 0.00 0.54 0.05 -1.89 -2.65 116.97 117.11 3hqd h TYR 311 Ca 0.01 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3hqd h TYR 311 Cb 0.25 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3hqd h TYR 311 CO 0.55 0.00 0.00 0.54 -1.05 0.00 0.00 178.16 178.20 3hqd n ARG 312 N -5.05 0.03 0.00 4.88 1.74 -1.26 -3.26 116.66 113.74 3hqd n ARG 312 Ca 0.16 0.18 0.05 0.00 -0.77 0.00 0.00 57.85 57.47 3hqd n ARG 312 Cb 0.47 -1.54 0.24 0.00 -1.02 0.00 0.00 32.46 30.60 3hqd n ARG 312 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3hqd n GLU 313 N -1.59 0.14 -3.67 5.56 1.02 -1.00 -4.69 120.64 116.41 3hqd n GLU 313 Ca 0.05 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.22 3hqd n GLU 313 Cb 0.24 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.08 3hqd n GLU 313 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hqd s SER 314 N -2.53 -0.43 0.34 1.62 0.15 -1.25 -5.01 113.70 106.60 3hqd s SER 314 Ca 0.09 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.32 3hqd s SER 314 Cb 0.06 0.59 0.62 0.00 -1.71 0.00 0.00 66.02 65.59 3hqd s SER 314 CO 0.14 -0.42 1.95 0.11 1.20 0.00 0.00 173.24 176.23 3hqd h LYS 315 N 4.04 0.71 0.03 5.44 1.79 -1.89 -2.29 116.57 124.41 3hqd h LYS 315 Ca -0.28 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3hqd h LYS 315 Cb 1.17 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 3hqd h LYS 315 CO 0.33 0.56 -0.02 1.25 -1.08 0.00 0.00 179.45 180.49 3hqd h LEU 316 N 0.71 -0.04 -1.75 2.94 5.85 -1.93 -2.02 115.31 119.07 3hqd h LEU 316 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hqd h LEU 316 Cb 0.08 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3hqd h LEU 316 CO -0.02 -0.03 0.00 0.71 -0.34 0.00 0.00 178.44 178.76 3hqd h THR 317 N -0.04 0.00 0.09 1.05 1.35 -1.67 -1.66 112.91 112.03 3hqd h THR 317 Ca -0.00 -0.40 -0.25 0.00 -0.55 0.00 0.00 66.41 65.21 3hqd h THR 317 Cb 0.04 1.39 0.02 0.00 -1.73 0.00 0.00 68.15 67.87 3hqd h THR 317 CO 0.00 0.00 -1.04 0.03 -0.25 0.00 0.00 175.52 174.27 3hqd h ARG 318 N 0.00 0.54 -0.20 4.72 3.08 -0.97 -0.36 114.38 121.18 3hqd h ARG 318 Ca 0.00 -0.70 -0.10 0.00 0.07 0.00 0.00 59.98 59.24 3hqd h ARG 318 Cb 0.40 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3hqd h ARG 318 CO 0.00 1.30 -0.32 0.82 -1.07 0.00 0.00 179.97 180.70 3hqd h ILE 319 N 0.10 1.28 0.00 2.04 1.08 -1.13 -3.06 117.51 117.83 3hqd h ILE 319 Ca -0.16 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 62.94 3hqd h ILE 319 Cb 1.74 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 36.98 3hqd h ILE 319 CO 0.20 0.43 -0.53 0.18 -0.69 0.00 0.00 178.15 177.74 3hqd n LEU 320 N -4.08 0.52 -0.28 1.44 4.77 -0.65 -4.46 117.00 114.27 3hqd n LEU 320 Ca -0.01 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.02 3hqd n LEU 320 Cb 0.44 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3hqd n LEU 320 CO 0.42 0.10 0.68 -0.61 -1.33 0.00 0.00 177.39 176.65 3hqd h GLN 321 N 0.00 -0.02 0.00 3.23 4.15 -0.95 0.81 115.11 122.34 3hqd h GLN 321 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3hqd h GLN 321 Cb 0.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 3hqd h GLN 321 CO 0.00 -0.01 -0.26 0.22 -1.93 0.00 0.00 178.83 176.85 3hqd h ASP 322 N -0.02 0.00 1.54 -0.69 -0.00 -1.75 -2.07 116.42 113.43 3hqd h ASP 322 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.40 3hqd h ASP 322 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.92 3hqd h ASP 322 CO -0.83 0.26 0.00 0.28 -0.00 0.00 0.00 179.24 178.95 3hqd h SER 323 N 0.00 0.00 -3.80 2.28 0.02 0.25 -2.59 113.55 109.72 3hqd h SER 323 Ca -0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 3hqd h SER 323 Cb 0.52 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.67 3hqd h SER 323 CO 0.03 0.00 -0.46 -0.76 -1.14 0.00 0.00 176.83 174.50 3hqd s LEU 324 N -5.31 4.88 0.00 5.07 1.43 0.18 -4.62 118.68 120.31 3hqd s LEU 324 Ca 0.08 -3.35 0.00 0.00 -1.03 0.00 0.00 54.13 49.83 3hqd s LEU 324 Cb 0.09 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3hqd s LEU 324 CO 0.60 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.58 3hqd n GLY 325 N 2.73 0.70 0.00 -3.19 0.00 -1.26 -4.87 105.19 99.29 3hqd n GLY 325 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3hqd n GLY 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqd n GLY 326 N -2.36 6.56 2.41 -0.02 0.00 -0.98 -4.83 105.19 105.98 3hqd n GLY 326 Ca 0.00 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 3hqd n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqd n ARG 327 N 0.00 3.64 -3.74 1.61 5.12 -1.22 -1.24 116.66 120.82 3hqd n ARG 327 Ca 0.00 -2.74 -0.13 0.00 -1.93 0.00 0.00 57.85 53.06 3hqd n ARG 327 Cb 0.00 -2.47 -0.13 0.00 -1.16 0.00 0.00 32.46 28.70 3hqd n ARG 327 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3hqd s THR 328 N -0.72 -0.03 -0.24 0.55 2.01 -1.24 -4.14 115.64 111.83 3hqd s THR 328 Ca 0.59 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 3hqd s THR 328 Cb 0.25 -0.35 -0.00 0.00 0.01 0.00 0.00 72.50 72.40 3hqd s THR 328 CO -0.11 0.05 1.28 -0.13 -0.69 0.00 0.00 174.62 175.01 3hqd s ARG 329 N 1.06 4.06 -0.07 4.92 0.52 0.23 -4.63 118.95 125.04 3hqd s ARG 329 Ca -0.08 1.43 0.04 0.00 -0.52 0.00 0.00 55.73 56.60 3hqd s ARG 329 Cb -0.09 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.56 3hqd s ARG 329 CO -0.07 -0.93 -0.18 0.99 0.02 0.00 0.00 175.30 175.13 3hqd s THR 330 N 3.97 1.59 -0.05 0.02 2.01 -1.26 -0.49 115.64 121.43 3hqd s THR 330 Ca 0.55 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.84 3hqd s THR 330 Cb -0.19 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 3hqd s THR 330 CO 0.19 0.45 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.89 3hqd s SER 331 N 0.28 2.92 -0.13 3.53 0.01 0.59 -1.96 113.70 118.94 3hqd s SER 331 Ca -0.11 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.66 3hqd s SER 331 Cb -0.15 -0.73 -0.01 0.00 0.21 0.00 0.00 66.02 65.34 3hqd s SER 331 CO 0.05 0.24 -0.13 -0.63 0.41 0.00 0.00 173.24 173.18 3hqd s ILE 332 N -0.20 3.04 -0.35 1.44 1.01 0.84 -2.43 121.20 124.54 3hqd s ILE 332 Ca -0.02 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3hqd s ILE 332 Cb -0.13 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.10 3hqd s ILE 332 CO 0.03 0.52 0.14 -0.63 0.00 0.00 0.00 174.94 175.00 3hqd s ILE 333 N 0.39 4.07 -0.25 2.92 1.01 -0.78 -0.60 121.20 127.96 3hqd s ILE 333 Ca -0.10 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.38 3hqd s ILE 333 Cb -0.16 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3hqd s ILE 333 CO 0.05 -0.18 0.40 0.00 0.00 0.00 0.00 174.94 175.21 3hqd s ALA 334 N 1.46 3.57 -0.20 9.38 0.00 0.31 -0.78 121.76 135.50 3hqd s ALA 334 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 3hqd s ALA 334 Cb -0.19 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 3hqd s ALA 334 CO 0.04 -0.59 0.10 0.95 0.00 0.00 0.00 175.76 176.27 3hqd s THR 335 N 1.93 5.15 0.20 0.00 -4.23 0.03 -0.34 115.64 118.38 3hqd s THR 335 Ca 0.17 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 3hqd s THR 335 Cb -0.15 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 3hqd s THR 335 CO 0.09 0.44 0.01 0.27 -0.54 0.00 0.00 174.62 174.89 3hqd s ILE 336 N 0.41 0.79 0.14 2.99 -4.36 -0.78 -4.02 121.20 116.37 3hqd s ILE 336 Ca 0.06 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.49 3hqd s ILE 336 Cb -0.12 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 3hqd s ILE 336 CO -0.01 -0.40 0.16 -0.55 0.24 0.00 0.00 174.94 174.38 3hqd s SER 337 N -3.22 5.73 0.02 4.36 0.15 -1.26 -2.22 113.70 117.25 3hqd s SER 337 Ca 0.26 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 57.12 3hqd s SER 337 Cb 0.06 -1.57 0.27 0.00 -1.71 0.00 0.00 66.02 63.08 3hqd s SER 337 CO 0.06 0.09 1.24 -0.81 1.20 0.00 0.00 173.24 175.02 3hqd n PRO 338 N -0.21 0.08 -2.26 5.44 -0.04 -1.26 -4.88 135.00 131.86 3hqd n PRO 338 Ca -0.08 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 63.02 3hqd n PRO 338 Cb 0.54 -1.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 3hqd n PRO 338 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hqd s ALA 339 N -3.05 3.00 0.51 0.55 0.00 -1.26 -1.43 121.76 120.07 3hqd s ALA 339 Ca 0.09 0.94 0.32 0.00 0.00 0.00 0.00 51.96 53.31 3hqd s ALA 339 Cb 0.16 -3.38 1.78 0.00 0.00 0.00 0.00 23.12 21.68 3hqd s ALA 339 CO 0.75 -0.64 2.20 0.66 0.00 0.00 0.00 175.76 178.73 3hqd h SER 340 N 2.12 0.00 0.34 0.00 4.64 -0.54 -2.63 113.55 117.48 3hqd h SER 340 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3hqd h SER 340 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3hqd h SER 340 CO 0.60 0.05 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.52 3hqd h LEU 341 N 0.00 0.00 -3.36 5.97 3.38 -1.92 -2.99 115.31 116.39 3hqd h LEU 341 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3hqd h LEU 341 Cb 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 3hqd h LEU 341 CO 0.01 0.02 -0.04 0.59 0.09 0.00 0.00 178.44 179.11 3hqd n ASN 342 N -3.23 2.70 -0.18 -0.43 3.02 -0.99 -4.81 115.26 111.34 3hqd n ASN 342 Ca -0.02 -3.67 -0.07 0.00 -0.03 0.00 0.00 54.58 50.79 3hqd n ASN 342 Cb 0.16 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 3hqd n ASN 342 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hqd h LEU 343 N 1.09 -1.29 -0.33 3.41 5.85 -1.69 0.19 115.31 122.54 3hqd h LEU 343 Ca 0.21 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 3hqd h LEU 343 Cb 1.67 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 43.29 3hqd h LEU 343 CO 0.39 -0.33 0.04 -0.33 -0.34 0.00 0.00 178.44 177.87 3hqd h GLU 344 N -0.23 0.56 -0.13 1.25 4.39 -1.89 -1.13 114.58 117.40 3hqd h GLU 344 Ca 0.19 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 3hqd h GLU 344 Cb 0.56 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3hqd h GLU 344 CO -0.64 0.65 -0.37 1.05 -1.16 0.00 0.00 179.01 178.54 3hqd h GLU 345 N 0.38 0.28 -0.10 2.33 9.09 -1.85 -1.36 114.58 123.35 3hqd h GLU 345 Ca 0.10 -0.12 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 3hqd h GLU 345 Cb 0.38 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3hqd h GLU 345 CO 0.01 0.61 -0.04 1.15 0.05 0.00 0.00 179.01 180.79 3hqd h THR 346 N 0.24 1.31 -0.63 -1.06 2.02 -0.52 -2.23 112.91 112.03 3hqd h THR 346 Ca 0.03 -1.03 0.06 0.00 0.77 0.00 0.00 66.41 66.24 3hqd h THR 346 Cb 0.77 1.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 3hqd h THR 346 CO 0.06 0.29 0.33 -0.07 0.37 0.00 0.00 175.52 176.50 3hqd h LEU 347 N -0.15 0.47 -0.16 2.58 3.38 -1.05 -1.31 115.31 119.06 3hqd h LEU 347 Ca 0.02 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3hqd h LEU 347 Cb 0.48 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3hqd h LEU 347 CO 0.01 0.30 -0.06 -1.28 0.09 0.00 0.00 178.44 177.50 3hqd h SER 348 N 0.61 -0.22 -0.42 -0.43 0.87 -1.18 0.17 113.55 112.94 3hqd h SER 348 Ca 0.29 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.94 3hqd h SER 348 Cb 0.21 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3hqd h SER 348 CO -0.20 -0.09 0.22 0.74 -0.53 0.00 0.00 176.83 176.98 3hqd h THR 349 N -0.04 0.99 -0.21 2.23 2.02 -0.92 -1.92 112.91 115.07 3hqd h THR 349 Ca 0.09 -0.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 3hqd h THR 349 Cb 0.17 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3hqd h THR 349 CO -0.19 0.08 -0.44 -0.07 0.37 0.00 0.00 175.52 175.27 3hqd h LEU 350 N 0.44 0.55 0.04 2.58 3.38 -0.95 -1.94 115.31 119.41 3hqd h LEU 350 Ca 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hqd h LEU 350 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hqd h LEU 350 CO -0.11 0.92 -0.02 -0.08 0.09 0.00 0.00 178.44 179.23 3hqd h GLU 351 N 0.42 -0.06 -0.18 1.13 4.57 -0.38 -0.02 114.58 120.07 3hqd h GLU 351 Ca 0.03 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 3hqd h GLU 351 Cb 0.94 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.54 3hqd h GLU 351 CO 0.08 0.08 -0.59 1.88 -1.18 0.00 0.00 179.01 179.28 3hqd h TYR 352 N -0.19 0.74 -0.80 0.92 -1.99 -1.38 -2.42 116.97 111.85 3hqd h TYR 352 Ca -0.01 -0.28 -0.04 0.00 2.00 0.00 0.00 58.73 60.41 3hqd h TYR 352 Cb 0.17 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 3hqd h TYR 352 CO -0.03 1.03 0.34 0.00 -0.00 0.00 0.00 178.16 179.50 3hqd h ALA 353 N 0.91 1.10 -0.37 3.88 0.00 -1.31 -1.50 119.26 121.97 3hqd h ALA 353 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3hqd h ALA 353 Cb 1.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3hqd h ALA 353 CO 0.11 0.65 -0.11 1.25 0.00 0.00 0.00 179.25 181.16 3hqd h HIS 354 N 1.15 0.70 -0.38 0.00 -0.00 -0.81 -2.67 115.15 113.14 3hqd h HIS 354 Ca 0.27 -0.12 -0.16 0.00 -0.00 0.00 0.00 60.37 60.37 3hqd h HIS 354 Cb 0.17 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 3hqd h HIS 354 CO 0.02 0.73 -0.39 0.00 -0.00 0.00 0.00 177.93 178.29 3hqd h ARG 355 N 0.59 0.91 -0.01 5.26 3.08 -0.98 -2.57 114.38 120.67 3hqd h ARG 355 Ca 0.11 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3hqd h ARG 355 Cb 0.54 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hqd h ARG 355 CO 0.03 1.13 0.04 0.00 -1.07 0.00 0.00 179.97 180.10 3hqd h ALA 356 N 0.81 1.17 0.00 0.04 0.00 -0.96 0.14 119.26 120.46 3hqd h ALA 356 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hqd h ALA 356 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hqd h ALA 356 CO 0.09 -0.04 0.00 -0.22 0.00 0.00 0.00 179.25 179.08 3hqd h LYS 357 N 0.00 0.00 -0.68 0.00 3.64 -1.20 -2.09 116.57 116.25 3hqd h LYS 357 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hqd h LYS 357 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3hqd h LYS 357 CO -0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 3hqd n ASN 358 N -3.07 3.96 -4.69 4.20 3.02 0.04 -4.37 115.26 114.36 3hqd n ASN 358 Ca -0.02 -2.14 -0.40 0.00 -0.03 0.00 0.00 54.58 51.99 3hqd n ASN 358 Cb 0.15 -0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 3hqd n ASN 358 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hqd s ILE 359 N -1.34 5.04 -0.17 2.41 1.01 -0.78 -4.80 121.20 122.57 3hqd s ILE 359 Ca 0.47 1.30 -0.17 0.00 0.00 0.00 0.00 60.65 62.24 3hqd s ILE 359 Cb 0.26 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3hqd s ILE 359 CO 0.29 0.18 0.44 -0.76 0.00 0.00 0.00 174.94 175.08 3hqd s LEU 360 N 1.37 4.21 0.34 2.97 1.02 -1.26 -0.25 118.68 127.08 3hqd s LEU 360 Ca 0.32 0.66 0.09 0.00 0.02 0.00 0.00 54.13 55.22 3hqd s LEU 360 Cb -0.16 -2.60 -0.06 0.00 0.02 0.00 0.00 46.19 43.39 3hqd s LEU 360 CO 0.13 -0.05 -0.00 0.20 0.02 0.00 0.00 176.35 176.65 3hqd s ASN 361 N 0.84 4.11 -0.43 2.29 -0.87 0.73 -4.22 114.94 117.40 3hqd s ASN 361 Ca 0.22 -1.02 0.02 0.00 -1.57 0.00 0.00 52.86 50.51 3hqd s ASN 361 Cb -0.15 -0.50 0.15 0.00 -0.02 0.00 0.00 41.25 40.73 3hqd s ASN 361 CO 0.09 -0.24 0.27 -0.54 -2.57 0.00 0.00 177.10 174.11 3hqd s LYS 362 N -3.70 1.08 0.37 -0.60 1.02 -0.37 -4.33 119.74 113.20 3hqd s LYS 362 Ca 0.34 -1.93 -0.25 0.00 0.02 0.00 0.00 55.97 54.15 3hqd s LYS 362 Cb 0.00 -1.91 -0.12 0.00 -0.52 0.00 0.00 37.83 35.28 3hqd s LYS 362 CO 0.19 -1.24 0.89 -2.30 -0.92 0.00 0.00 175.35 171.98 3hqd n PRO 363 N 3.41 1.13 -3.65 -1.68 -0.02 -1.26 -4.07 135.00 128.87 3hqd n PRO 363 Ca 0.15 0.40 -0.20 0.00 -2.02 0.00 0.00 63.50 61.84 3hqd n PRO 363 Cb 0.38 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 3hqd n PRO 363 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3hqd n GLU 364 N 0.46 1.12 -4.01 -0.52 -0.00 -1.26 -4.95 120.64 111.49 3hqd n GLU 364 Ca 0.10 -2.29 -0.10 0.00 -0.00 0.00 0.00 57.16 54.87 3hqd n GLU 364 Cb 0.36 0.74 -0.06 0.00 -0.00 0.00 0.00 31.44 32.48 3hqd n GLU 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3hqd s VAL 365 N -2.23 0.02 -0.15 3.84 -7.23 -1.26 -3.97 120.40 109.43 3hqd s VAL 365 Ca 0.03 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3hqd s VAL 365 Cb 0.00 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.82 3hqd s VAL 365 CO 0.02 -0.08 0.54 -3.20 -0.31 0.00 0.00 175.10 172.06