#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 6.57 0.27 4.39 0.02 -1.26 0.10 114.94 125.03 3hqd s ASN 18 Ca 0.00 2.71 -0.30 0.00 -1.02 0.00 0.00 52.86 54.25 3hqd s ASN 18 Cb 0.00 -2.62 -0.11 0.00 0.02 0.00 0.00 41.25 38.55 3hqd s ASN 18 CO 0.00 -0.78 1.52 -0.63 0.02 0.00 0.00 177.10 177.22 3hqd s ILE 19 N 0.34 2.38 -0.08 0.60 1.01 -0.64 -4.87 121.20 119.94 3hqd s ILE 19 Ca 0.63 0.32 -0.24 0.00 0.00 0.00 0.00 60.65 61.36 3hqd s ILE 19 Cb -0.44 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3hqd s ILE 19 CO 0.40 0.05 0.74 -1.58 0.00 0.00 0.00 174.94 174.55 3hqd s GLN 20 N -0.41 4.42 -0.10 2.79 0.74 -0.62 -4.54 119.66 121.95 3hqd s GLN 20 Ca 0.61 0.93 0.01 0.00 0.05 0.00 0.00 55.36 56.97 3hqd s GLN 20 Cb -0.45 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.21 3hqd s GLN 20 CO 0.45 -0.00 -0.13 0.08 -0.55 0.00 0.00 175.29 175.14 3hqd s VAL 21 N 1.02 1.29 0.17 1.34 1.01 -1.26 0.50 120.40 124.48 3hqd s VAL 21 Ca 0.39 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.94 3hqd s VAL 21 Cb -0.18 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3hqd s VAL 21 CO 0.18 0.40 -0.18 0.68 0.00 0.00 0.00 175.10 176.18 3hqd s VAL 22 N 1.10 1.86 -0.03 2.92 -7.23 0.29 -1.67 120.40 117.65 3hqd s VAL 22 Ca -0.05 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.24 3hqd s VAL 22 Cb -0.14 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 3hqd s VAL 22 CO -0.02 -0.33 -0.26 -0.69 -0.31 0.00 0.00 175.10 173.49 3hqd s VAL 23 N -2.10 2.04 -0.16 1.32 1.01 -0.80 -0.32 120.40 121.39 3hqd s VAL 23 Ca 0.17 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 3hqd s VAL 23 Cb -0.05 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3hqd s VAL 23 CO 0.07 0.58 -0.08 -0.60 0.00 0.00 0.00 175.10 175.07 3hqd s ARG 24 N -0.50 1.71 -0.21 2.72 3.52 0.59 -0.10 118.95 126.68 3hqd s ARG 24 Ca 0.07 -0.55 -0.14 0.00 -0.13 0.00 0.00 55.73 54.98 3hqd s ARG 24 Cb -0.11 -2.03 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 3hqd s ARG 24 CO 0.00 -0.37 0.31 0.00 -0.81 0.00 0.00 175.30 174.43 3hqd s ARG 26 N 1.09 2.33 0.80 0.00 1.70 -0.97 -2.36 118.95 121.54 3hqd s ARG 26 Ca 0.15 -0.24 -0.11 0.00 -0.47 0.00 0.00 55.73 55.07 3hqd s ARG 26 Cb -0.14 -2.20 0.07 0.00 -0.57 0.00 0.00 34.95 32.11 3hqd s ARG 26 CO 0.06 -1.13 1.09 -2.14 -1.08 0.00 0.00 175.30 172.10 3hqd s PRO 27 N -5.19 2.07 0.59 3.89 0.02 -1.26 -4.31 135.00 130.82 3hqd s PRO 27 Ca 0.59 0.94 -0.19 0.00 0.02 0.00 0.00 61.00 62.36 3hqd s PRO 27 Cb -0.11 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 3hqd s PRO 27 CO 0.45 -1.71 1.26 -0.06 -0.33 0.00 0.00 177.00 176.61 3hqd s PHE 28 N -2.98 2.30 0.45 6.54 0.40 -1.26 -4.82 117.98 118.61 3hqd s PHE 28 Ca 0.61 1.48 0.08 0.00 -0.60 0.00 0.00 56.93 58.50 3hqd s PHE 28 Cb -0.16 -3.60 0.00 0.00 0.51 0.00 0.00 43.02 39.77 3hqd s PHE 28 CO 0.56 -2.52 0.45 0.54 0.70 0.00 0.00 175.22 174.95 3hqd s ASN 29 N -1.40 5.10 0.14 1.36 2.20 -1.26 -4.99 114.94 116.08 3hqd s ASN 29 Ca 0.77 -0.77 -0.23 0.00 -0.94 0.00 0.00 52.86 51.70 3hqd s ASN 29 Cb -0.34 -0.38 -0.00 0.00 -2.00 0.00 0.00 41.25 38.53 3hqd s ASN 29 CO 0.38 -0.79 1.64 -0.07 -2.94 0.00 0.00 177.10 175.32 3hqd h LEU 30 N 0.85 -0.65 -1.40 3.54 -0.00 -2.00 -2.43 115.31 113.22 3hqd h LEU 30 Ca -0.39 0.11 0.16 0.00 -0.00 0.00 0.00 57.88 57.76 3hqd h LEU 30 Cb 1.28 0.30 -0.07 0.00 -0.00 0.00 0.00 40.66 42.17 3hqd h LEU 30 CO 0.54 -0.26 0.56 0.00 -0.00 0.00 0.00 178.44 179.28 3hqd h ALA 31 N 0.77 1.98 -0.27 1.53 0.00 -1.98 0.32 119.26 121.61 3hqd h ALA 31 Ca 0.11 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3hqd h ALA 31 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hqd h ALA 31 CO -0.31 -0.23 -0.58 0.93 0.00 0.00 0.00 179.25 179.06 3hqd h GLU 32 N 0.56 0.86 0.02 0.00 5.08 -1.85 -2.52 114.58 116.74 3hqd h GLU 32 Ca 0.44 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3hqd h GLU 32 Cb 0.86 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3hqd h GLU 32 CO -0.18 1.20 -0.01 0.00 -1.00 0.00 0.00 179.01 179.01 3hqd h ARG 33 N 0.65 -0.03 0.00 2.33 2.47 -0.94 -1.61 114.38 117.26 3hqd h ARG 33 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3hqd h ARG 33 Cb 1.19 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3hqd h ARG 33 CO 0.13 0.31 0.00 0.87 0.56 0.00 0.00 179.97 181.84 3hqd h LYS 34 N -0.37 0.00 -0.59 0.04 1.57 -1.01 0.29 116.57 116.49 3hqd h LYS 34 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hqd h LYS 34 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3hqd h LYS 34 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 3hqd n ALA 35 N -2.06 2.64 -3.61 3.86 0.00 -0.95 -4.92 120.51 115.47 3hqd n ALA 35 Ca -0.03 -1.09 -0.27 0.00 0.00 0.00 0.00 53.44 52.06 3hqd n ALA 35 Cb 0.08 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.02 -3.97 -4.80 0.00 7.64 0.10 -4.92 113.62 108.69 3hqd n SER 36 Ca 0.19 -0.57 -0.34 0.00 1.01 0.00 0.00 58.87 59.16 3hqd n SER 36 Cb 0.58 -3.25 -0.03 0.00 -1.01 0.00 0.00 64.21 60.51 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 -3.07 2.86 0.36 -0.43 0.00 -0.63 -5.05 121.76 115.80 3hqd s ALA 37 Ca 0.51 0.56 0.08 0.00 0.00 0.00 0.00 51.96 53.11 3hqd s ALA 37 Cb -0.27 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3hqd s ALA 37 CO 0.63 -0.39 0.12 -3.38 0.00 0.00 0.00 175.76 172.74 3hqd s HIS 38 N -2.08 2.63 -0.01 0.00 -3.43 -1.26 -4.80 115.29 106.34 3hqd s HIS 38 Ca 0.66 -0.46 -0.30 0.00 -0.80 0.00 0.00 55.06 54.16 3hqd s HIS 38 Cb -0.16 -1.70 -0.03 0.00 -1.43 0.00 0.00 32.58 29.26 3hqd s HIS 38 CO 0.23 0.33 0.97 0.45 -2.00 0.00 0.00 174.74 174.72 3hqd s SER 39 N -3.83 7.34 0.00 7.38 0.15 -1.26 0.06 113.70 123.55 3hqd s SER 39 Ca 0.38 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.66 3hqd s SER 39 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3hqd s SER 39 CO 0.22 -0.27 0.93 2.30 1.20 0.00 0.00 173.24 177.61 3hqd n ILE 40 N 3.95 0.86 -5.11 6.45 -5.35 -0.65 -4.87 119.36 114.64 3hqd n ILE 40 Ca 0.06 -0.87 -0.30 0.00 -0.27 0.00 0.00 62.75 61.36 3hqd n ILE 40 Cb 0.51 0.57 -0.17 0.00 -1.74 0.00 0.00 39.64 38.81 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 -0.86 1.88 -0.10 7.28 1.01 -1.24 -0.41 120.40 127.97 3hqd s VAL 41 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3hqd s VAL 41 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.77 3hqd s VAL 41 CO 0.00 0.52 -0.12 -1.61 0.00 0.00 0.00 175.10 173.89 3hqd s GLU 42 N 0.25 1.85 -0.10 2.72 2.02 -0.44 -4.99 118.70 120.01 3hqd s GLU 42 Ca -0.14 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 3hqd s GLU 42 Cb -0.16 -1.64 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 3hqd s GLU 42 CO 0.07 -0.09 -0.03 0.00 0.02 0.00 0.00 175.26 175.22 3hqd s ASP 44 N -0.44 3.70 0.24 0.00 -1.08 0.15 -4.93 116.67 114.32 3hqd s ASP 44 Ca 0.07 -2.67 -0.05 0.00 -0.52 0.00 0.00 52.55 49.38 3hqd s ASP 44 Cb -0.12 -1.09 0.33 0.00 -1.46 0.00 0.00 42.92 40.58 3hqd s ASP 44 CO 0.02 -0.26 1.86 1.55 0.52 0.00 0.00 175.17 178.86 3hqd h PRO 45 N 6.69 0.98 0.21 4.34 0.13 -1.80 0.92 132.00 143.47 3hqd h PRO 45 Ca -0.01 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3hqd h PRO 45 Cb 0.92 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.79 3hqd h PRO 45 CO 0.50 0.65 -0.53 0.28 -0.23 0.00 0.00 178.00 178.67 3hqd h VAL 46 N 1.01 0.00 0.00 1.56 2.07 -1.93 -0.66 116.25 118.29 3hqd h VAL 46 Ca 0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.90 3hqd h VAL 46 Cb 0.15 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3hqd h VAL 46 CO -0.17 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.96 3hqd n ARG 47 N -5.48 0.11 -3.34 1.57 1.74 -1.09 -4.90 116.66 105.27 3hqd n ARG 47 Ca -0.09 0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 56.84 3hqd n ARG 47 Cb 0.42 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.44 -6.25 -4.36 5.56 5.02 0.30 -4.88 118.16 112.11 3hqd n LYS 48 Ca 0.08 0.68 -0.25 0.00 -2.02 0.00 0.00 58.31 56.80 3hqd n LYS 48 Cb 0.28 -5.27 -0.12 0.00 -0.02 0.00 0.00 35.03 29.90 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 -5.81 1.34 -0.10 1.97 2.02 0.21 -1.67 118.70 116.67 3hqd s GLU 49 Ca 0.35 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.97 3hqd s GLU 49 Cb -0.15 -1.62 0.02 0.00 0.10 0.00 0.00 34.13 32.48 3hqd s GLU 49 CO 0.60 0.36 -0.09 0.08 0.02 0.00 0.00 175.26 176.23 3hqd s VAL 50 N -1.51 1.02 -0.05 2.63 1.01 -0.68 0.35 120.40 123.16 3hqd s VAL 50 Ca 0.15 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3hqd s VAL 50 Cb -0.08 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3hqd s VAL 50 CO 0.07 0.35 -0.18 -0.44 0.00 0.00 0.00 175.10 174.90 3hqd s SER 51 N 1.38 3.70 -0.12 3.32 0.01 0.27 -0.83 113.70 121.42 3hqd s SER 51 Ca -0.01 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.96 3hqd s SER 51 Cb -0.14 -0.83 0.01 0.00 0.21 0.00 0.00 66.02 65.28 3hqd s SER 51 CO -0.04 0.31 -0.19 -0.69 0.41 0.00 0.00 173.24 173.03 3hqd s VAL 52 N -0.51 1.83 -0.23 3.43 1.01 0.19 -1.33 120.40 124.79 3hqd s VAL 52 Ca 0.07 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 3hqd s VAL 52 Cb -0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3hqd s VAL 52 CO 0.01 0.50 1.35 -0.13 0.00 0.00 0.00 175.10 176.83 3hqd s ARG 53 N 0.85 4.03 -0.01 2.72 0.52 0.46 0.09 118.95 127.61 3hqd s ARG 53 Ca -0.08 1.50 0.18 0.00 -0.52 0.00 0.00 55.73 56.82 3hqd s ARG 53 Cb -0.15 -3.86 -0.22 0.00 0.52 0.00 0.00 34.95 31.23 3hqd s ARG 53 CO -0.01 -0.98 0.68 0.25 0.02 0.00 0.00 175.30 175.26 3hqd n THR 54 N 5.89 0.00 -0.30 0.02 -2.24 -0.77 -4.74 114.28 112.14 3hqd n THR 54 Ca 0.15 -0.16 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 3hqd n THR 54 Cb 0.46 0.77 0.27 0.00 -2.10 0.00 0.00 70.33 69.72 3hqd n THR 54 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hqd h GLY 55 N 4.07 1.47 0.00 3.38 0.00 -1.69 -3.50 103.07 106.80 3hqd h GLY 55 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3hqd h GLY 55 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.01 3hqd n GLY 56 N -1.33 -2.32 0.25 4.60 0.00 -0.87 -3.10 105.19 102.42 3hqd n GLY 56 Ca 0.20 -2.11 0.13 0.00 0.00 0.00 0.00 46.02 44.24 3hqd n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hqd h LEU 57 N 0.00 0.00 0.00 0.99 3.38 -2.01 -3.25 115.31 114.42 3hqd h LEU 57 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hqd h LEU 57 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hqd h LEU 57 CO 0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3hqd n ALA 58 N -2.23 -0.10 -2.70 1.53 0.00 -1.26 -4.74 120.51 111.02 3hqd n ALA 58 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 3hqd n ALA 58 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 3hqd n ALA 58 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hqd s ASP 59 N -2.00 7.24 -0.11 0.00 -1.08 -1.18 -4.91 116.67 114.62 3hqd s ASP 59 Ca 0.00 1.51 0.15 0.00 -0.52 0.00 0.00 52.55 53.70 3hqd s ASP 59 Cb 0.00 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.18 3hqd s ASP 59 CO 0.00 -0.32 1.13 0.29 0.52 0.00 0.00 175.17 176.79 3hqd n LYS 60 N 4.37 1.06 0.00 4.34 5.02 -1.26 -2.05 118.16 129.65 3hqd n LYS 60 Ca 0.06 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.99 3hqd n LYS 60 Cb 0.50 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3hqd n LYS 60 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hqd n SER 61 N -1.13 1.27 -4.66 4.39 7.64 -1.26 -5.05 113.62 114.82 3hqd n SER 61 Ca 0.13 0.00 -0.55 0.00 1.01 0.00 0.00 58.87 59.46 3hqd n SER 61 Cb 0.66 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.80 3hqd n SER 61 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hqd n SER 62 N -2.69 2.08 -4.30 6.43 7.64 -1.26 -4.93 113.62 116.59 3hqd n SER 62 Ca 0.00 1.09 -0.19 0.00 1.01 0.00 0.00 58.87 60.78 3hqd n SER 62 Cb 0.41 -1.17 -0.11 0.00 -1.01 0.00 0.00 64.21 62.34 3hqd n SER 62 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hqd s ARG 63 N 2.16 1.18 -0.19 1.43 0.52 -1.26 -1.84 118.95 120.95 3hqd s ARG 63 Ca 0.92 -1.39 -0.00 0.00 -0.52 0.00 0.00 55.73 54.74 3hqd s ARG 63 Cb -1.01 -1.07 0.01 0.00 0.52 0.00 0.00 34.95 33.40 3hqd s ARG 63 CO 0.57 0.20 -0.17 0.21 0.02 0.00 0.00 175.30 176.13 3hqd s LYS 64 N -3.01 3.08 -0.12 3.54 2.47 0.11 -4.89 119.74 120.92 3hqd s LYS 64 Ca 0.15 -0.79 0.02 0.00 -1.56 0.00 0.00 55.97 53.79 3hqd s LYS 64 Cb -0.04 -2.66 -0.01 0.00 -1.46 0.00 0.00 37.83 33.66 3hqd s LYS 64 CO 0.05 -0.20 -0.18 0.99 0.16 0.00 0.00 175.35 176.17 3hqd s THR 65 N 1.32 2.59 0.13 3.43 2.01 -1.26 0.56 115.64 124.42 3hqd s THR 65 Ca 0.05 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.31 3hqd s THR 65 Cb -0.13 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3hqd s THR 65 CO -0.11 0.54 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.88 3hqd s TYR 66 N 0.38 2.53 -0.12 4.92 1.51 -0.01 -4.97 117.35 121.59 3hqd s TYR 66 Ca -0.14 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 3hqd s TYR 66 Cb -0.17 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3hqd s TYR 66 CO 0.07 0.41 -0.15 0.99 -1.11 0.00 0.00 175.55 175.76 3hqd s THR 67 N -1.25 2.87 0.34 -0.71 2.01 -1.26 -1.69 115.64 115.95 3hqd s THR 67 Ca 0.19 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.48 3hqd s THR 67 Cb -0.10 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 3hqd s THR 67 CO 0.11 0.53 0.06 0.49 -0.69 0.00 0.00 174.62 175.12 3hqd n PHE 68 N 3.47 0.46 0.07 4.92 3.01 -0.67 -5.01 117.46 123.70 3hqd n PHE 68 Ca -0.18 -1.93 -0.09 0.00 1.01 0.00 0.00 57.45 56.25 3hqd n PHE 68 Cb 0.53 -0.12 0.01 0.00 -0.01 0.00 0.00 39.48 39.89 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 1.08 0.36 -4.48 4.37 3.32 -1.61 -3.46 116.42 116.01 3hqd h ASP 69 Ca -0.27 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.41 3hqd h ASP 69 Cb 0.93 -0.11 -0.21 0.00 0.22 0.00 0.00 39.33 40.16 3hqd h ASP 69 CO 0.45 1.03 -0.11 -0.04 -1.72 0.00 0.00 179.24 178.85 3hqd s MET 70 N -3.39 0.71 -0.08 3.56 -1.94 -1.24 -5.00 119.30 111.92 3hqd s MET 70 Ca -0.04 0.33 -0.00 0.00 -1.71 0.00 0.00 55.69 54.27 3hqd s MET 70 Cb 0.10 0.33 0.02 0.00 2.01 0.00 0.00 34.83 37.30 3hqd s MET 70 CO 0.83 -0.16 -0.05 0.08 -0.01 0.00 0.00 175.02 175.71 3hqd s VAL 71 N -0.53 0.77 -0.20 -6.03 1.01 -1.26 -1.91 120.40 112.24 3hqd s VAL 71 Ca -0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3hqd s VAL 71 Cb -0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3hqd s VAL 71 CO 0.04 0.31 -0.01 -0.36 0.00 0.00 0.00 175.10 175.08 3hqd s PHE 72 N 1.55 3.02 0.87 5.22 0.08 0.85 -4.08 117.98 125.50 3hqd s PHE 72 Ca 0.00 -0.53 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 3hqd s PHE 72 Cb -0.13 -2.08 0.17 0.00 -0.57 0.00 0.00 43.02 40.40 3hqd s PHE 72 CO -0.05 -0.28 1.20 0.20 -0.10 0.00 0.00 175.22 176.18 3hqd s GLY 73 N 1.06 1.77 0.58 4.36 0.00 -1.26 -1.02 107.32 112.80 3hqd s GLY 73 Ca 0.02 -1.36 0.29 0.00 0.00 0.00 0.00 44.72 43.66 3hqd s GLY 73 CO 0.01 -0.68 1.93 0.00 0.00 0.00 0.00 173.10 174.36 3hqd h ALA 74 N -1.21 2.23 -0.00 3.20 0.00 -1.73 0.71 119.26 122.45 3hqd h ALA 74 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hqd h ALA 74 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hqd h ALA 74 CO 0.40 -0.69 -0.06 -1.13 0.00 0.00 0.00 179.25 177.77 3hqd n SER 75 N -3.85 0.47 -4.70 0.00 3.41 -1.26 -4.28 113.62 103.42 3hqd n SER 75 Ca 0.09 -0.76 -0.43 0.00 -0.26 0.00 0.00 58.87 57.50 3hqd n SER 75 Cb 0.65 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 3hqd n SER 75 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hqd n THR 76 N -0.83 0.20 -3.41 6.66 -1.04 0.24 -4.99 114.28 111.11 3hqd n THR 76 Ca 0.17 -0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.88 3hqd n THR 76 Cb 0.25 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 66.76 3hqd n THR 76 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3hqd s LYS 77 N 1.99 3.56 0.15 -2.82 3.01 -1.26 -5.00 119.74 119.37 3hqd s LYS 77 Ca 0.80 -0.17 -0.24 0.00 -1.01 0.00 0.00 55.97 55.34 3hqd s LYS 77 Cb -0.53 -2.68 0.02 0.00 -1.01 0.00 0.00 37.83 33.62 3hqd s LYS 77 CO 0.36 0.22 1.60 1.96 0.51 0.00 0.00 175.35 180.01 3hqd h GLN 78 N 1.40 -0.31 -0.91 1.68 1.08 -1.87 -0.87 115.11 115.32 3hqd h GLN 78 Ca -0.48 0.02 0.22 0.00 -1.45 0.00 0.00 58.65 56.96 3hqd h GLN 78 Cb 1.20 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.64 3hqd h GLN 78 CO 0.65 -0.20 0.61 0.97 -0.95 0.00 0.00 178.83 179.90 3hqd h ILE 79 N -0.32 0.64 -0.38 2.54 6.09 -1.85 -0.27 117.51 123.96 3hqd h ILE 79 Ca 0.13 -0.11 -0.06 0.00 -1.37 0.00 0.00 64.86 63.45 3hqd h ILE 79 Cb 0.54 0.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.10 3hqd h ILE 79 CO -0.45 0.06 -0.01 0.44 -3.07 0.00 0.00 178.15 175.12 3hqd h ASP 80 N 0.32 0.67 -0.61 2.19 3.32 -1.55 -0.32 116.42 120.44 3hqd h ASP 80 Ca 0.47 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3hqd h ASP 80 Cb 1.30 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3hqd h ASP 80 CO -0.15 0.82 0.24 0.58 -1.72 0.00 0.00 179.24 179.01 3hqd h VAL 81 N 0.50 1.23 0.28 -1.35 2.07 -0.79 -1.95 116.25 116.24 3hqd h VAL 81 Ca 0.11 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3hqd h VAL 81 Cb 0.49 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3hqd h VAL 81 CO 0.02 0.28 -0.13 0.22 0.02 0.00 0.00 177.57 177.98 3hqd h TYR 82 N 0.85 -0.35 -0.97 1.57 5.03 -1.18 0.15 116.97 122.07 3hqd h TYR 82 Ca 0.20 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.54 3hqd h TYR 82 Cb 0.21 0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.55 3hqd h TYR 82 CO 0.01 -0.06 0.64 0.00 -1.32 0.00 0.00 178.16 177.43 3hqd h ARG 83 N -0.63 1.21 0.13 1.82 3.08 -1.05 -0.03 114.38 118.91 3hqd h ARG 83 Ca -0.04 -0.07 -0.25 0.00 0.07 0.00 0.00 59.98 59.69 3hqd h ARG 83 Cb 0.45 -0.27 0.03 0.00 0.08 0.00 0.00 29.97 30.25 3hqd h ARG 83 CO 0.06 0.80 -1.06 0.77 -1.07 0.00 0.00 179.97 179.48 3hqd h SER 84 N 1.24 0.70 0.00 7.04 0.02 -1.34 -3.39 113.55 117.83 3hqd h SER 84 Ca 0.38 -0.87 -0.28 0.00 -0.84 0.00 0.00 61.79 60.18 3hqd h SER 84 Cb -0.02 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 3hqd h SER 84 CO -0.11 1.50 -1.83 0.52 -1.14 0.00 0.00 176.83 175.78 3hqd n VAL 85 N -3.95 1.51 -0.04 2.27 0.31 0.53 -4.74 118.33 114.23 3hqd n VAL 85 Ca -0.14 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 63.89 3hqd n VAL 85 Cb 0.91 -2.07 -0.09 0.00 -0.91 0.00 0.00 33.84 31.68 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 -1.00 1.43 -0.76 2.52 2.07 -1.11 -3.30 116.25 116.10 3hqd h VAL 86 Ca -0.42 -1.59 0.18 0.00 0.82 0.00 0.00 66.70 65.69 3hqd h VAL 86 Cb 1.33 2.27 -0.12 0.00 -1.52 0.00 0.00 31.29 33.25 3hqd h VAL 86 CO -0.25 0.45 0.10 0.00 0.02 0.00 0.00 177.57 177.89 3hqd h PRO 88 N 0.17 0.00 -0.15 0.00 0.11 -1.82 -2.83 132.00 127.49 3hqd h PRO 88 Ca 0.43 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.47 3hqd h PRO 88 Cb 0.77 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 3hqd h PRO 88 CO -0.60 0.42 -0.18 0.82 -0.21 0.00 0.00 178.00 178.24 3hqd h ILE 89 N 0.00 1.35 -0.72 4.15 1.08 -0.94 -3.08 117.51 119.35 3hqd h ILE 89 Ca -0.00 -1.38 0.10 0.00 -0.39 0.00 0.00 64.86 63.19 3hqd h ILE 89 Cb 0.74 1.91 -0.07 0.00 -3.07 0.00 0.00 36.82 36.32 3hqd h ILE 89 CO 0.05 0.41 0.36 0.25 -0.69 0.00 0.00 178.15 178.53 3hqd h LEU 90 N 0.01 0.46 -1.18 1.44 6.46 -0.55 -0.67 115.31 121.27 3hqd h LEU 90 Ca 0.02 0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 3hqd h LEU 90 Cb 0.73 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 3hqd h LEU 90 CO 0.04 0.25 -0.15 0.44 -0.62 0.00 0.00 178.44 178.40 3hqd h ASP 91 N 0.60 0.37 -0.24 1.25 3.32 -1.53 -1.88 116.42 118.30 3hqd h ASP 91 Ca 0.36 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 3hqd h ASP 91 Cb 0.40 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3hqd h ASP 91 CO -0.28 0.55 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.30 3hqd h GLU 92 N 0.36 0.68 -0.39 3.56 5.08 -1.07 -1.53 114.58 121.26 3hqd h GLU 92 Ca 0.07 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3hqd h GLU 92 Cb 0.49 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3hqd h GLU 92 CO 0.03 0.81 0.12 0.28 -1.00 0.00 0.00 179.01 179.25 3hqd h VAL 93 N 0.61 1.21 0.00 3.13 2.07 -0.76 -1.43 116.25 121.09 3hqd h VAL 93 Ca 0.10 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3hqd h VAL 93 Cb 0.62 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3hqd h VAL 93 CO 0.04 0.25 -0.03 0.40 0.02 0.00 0.00 177.57 178.25 3hqd h ILE 94 N 0.49 0.59 0.00 4.57 1.08 -0.90 0.55 117.51 123.88 3hqd h ILE 94 Ca 0.13 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3hqd h ILE 94 Cb 0.26 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3hqd h ILE 94 CO -0.00 0.03 0.00 0.23 -0.69 0.00 0.00 178.15 177.72 3hqd n MET 95 N -3.86 0.14 0.00 2.37 2.81 -0.59 -4.89 117.12 113.10 3hqd n MET 95 Ca -0.03 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 3hqd n MET 95 Cb 0.12 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 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 0.96 1.08 3.93 3.03 0.00 0.18 -4.79 105.19 109.58 3hqd n GLY 96 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 3.46 -0.24 1.61 2.02 -0.88 0.31 117.35 121.63 3hqd s TYR 97 Ca 0.00 0.51 -0.10 0.00 -0.37 0.00 0.00 57.07 57.11 3hqd s TYR 97 Cb 0.00 -2.16 -0.05 0.00 -0.40 0.00 0.00 41.96 39.35 3hqd s TYR 97 CO 0.00 -0.15 0.16 -0.80 -1.57 0.00 0.00 175.55 173.18 3hqd s ASN 98 N -4.11 6.13 0.10 2.29 0.01 -1.26 -2.38 114.94 115.72 3hqd s ASN 98 Ca 0.45 0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.80 3hqd s ASN 98 Cb -0.10 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 3hqd s ASN 98 CO 0.40 0.08 -0.19 0.00 -1.51 0.00 0.00 177.10 175.88 3hqd s THR 100 N -1.30 0.02 -0.07 0.00 2.01 -0.07 -0.22 115.64 116.01 3hqd s THR 100 Ca 0.05 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.08 3hqd s THR 100 Cb -0.09 -0.05 0.02 0.00 0.01 0.00 0.00 72.50 72.39 3hqd s THR 100 CO 0.04 0.03 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.32 3hqd s ILE 101 N 0.19 0.68 0.00 1.82 1.01 -0.06 -0.60 121.20 124.25 3hqd s ILE 101 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.53 3hqd s ILE 101 Cb -0.03 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 3hqd s ILE 101 CO -0.01 0.29 -0.09 0.72 0.00 0.00 0.00 174.94 175.86 3hqd s PHE 102 N 1.41 0.77 -0.09 3.97 -0.12 -0.89 -0.23 117.98 122.80 3hqd s PHE 102 Ca -0.03 -0.18 -0.17 0.00 -0.05 0.00 0.00 56.93 56.51 3hqd s PHE 102 Cb -0.13 -0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 41.72 3hqd s PHE 102 CO -0.03 -0.01 0.43 0.00 -0.05 0.00 0.00 175.22 175.56 3hqd s ALA 103 N -0.33 3.56 -0.03 1.99 0.00 -0.42 -1.48 121.76 125.06 3hqd s ALA 103 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3hqd s ALA 103 Cb -0.04 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.56 3hqd s ALA 103 CO -0.00 0.16 -0.04 -0.47 0.00 0.00 0.00 175.76 175.41 3hqd s TYR 104 N 0.07 0.59 0.00 0.00 6.14 0.24 -3.14 117.35 121.24 3hqd s TYR 104 Ca 0.24 -0.13 0.00 0.00 0.64 0.00 0.00 57.07 57.82 3hqd s TYR 104 Cb -0.15 -0.51 0.00 0.00 0.42 0.00 0.00 41.96 41.71 3hqd s TYR 104 CO 0.10 -0.12 0.00 0.41 0.64 0.00 0.00 175.55 176.58 3hqd n GLY 105 N 3.74 2.00 3.58 8.97 0.00 -1.26 -0.80 105.19 121.42 3hqd n GLY 105 Ca -0.22 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.88 1.04 -1.65 1.61 7.27 -1.26 -3.32 117.38 120.19 3hqd n GLN 106 Ca 0.00 0.38 -0.45 0.00 0.07 0.00 0.00 57.00 57.01 3hqd n GLN 106 Cb 0.00 -2.00 -0.02 0.00 2.41 0.00 0.00 30.24 30.63 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 -1.10 1.45 -0.81 1.69 5.66 -0.56 -2.22 114.28 118.39 3hqd n THR 107 Ca 0.11 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 3hqd n THR 107 Cb 0.43 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 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 1.56 0.83 0.46 1.09 0.00 -1.26 -4.92 105.19 102.95 3hqd n GLY 108 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.20 0.00 0.00 2.61 -2.24 -0.94 -4.95 114.28 106.56 3hqd n THR 109 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3hqd n THR 109 Cb 0.00 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.23 1.55 0.06 3.38 0.00 -1.26 -4.26 105.19 105.90 3hqd n GLY 110 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 0.48 0.07 -0.22 1.61 1.57 -1.92 0.22 116.57 118.37 3hqd h LYS 111 Ca 0.00 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 3hqd h LYS 111 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3hqd h LYS 111 CO 0.00 0.20 -0.65 1.15 -0.57 0.00 0.00 179.45 179.58 3hqd h THR 112 N -0.08 1.28 -0.98 -0.16 2.02 -1.96 -0.18 112.91 112.84 3hqd h THR 112 Ca 0.01 -1.84 0.03 0.00 0.77 0.00 0.00 66.41 65.39 3hqd h THR 112 Cb 0.16 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 3hqd h THR 112 CO -0.00 0.59 0.64 0.15 0.37 0.00 0.00 175.52 177.27 3hqd h PHE 113 N 0.60 1.21 -0.10 3.16 3.57 -1.87 0.12 116.94 123.63 3hqd h PHE 113 Ca -0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 3hqd h PHE 113 Cb 1.27 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3hqd h PHE 113 CO 0.08 0.70 -0.33 1.15 -2.23 0.00 0.00 178.31 177.68 3hqd h THR 114 N 1.25 1.39 -0.00 4.41 2.02 -0.76 -1.11 112.91 120.10 3hqd h THR 114 Ca 0.39 -1.66 -0.21 0.00 0.77 0.00 0.00 66.41 65.69 3hqd h THR 114 Cb -0.01 2.17 0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3hqd h THR 114 CO -0.12 0.49 -0.84 0.24 0.37 0.00 0.00 175.52 175.66 3hqd h MET 115 N -0.03 0.57 0.00 6.66 2.86 -0.83 -1.05 114.93 123.11 3hqd h MET 115 Ca -0.01 -0.61 -0.28 0.00 -2.06 0.00 0.00 59.70 56.73 3hqd h MET 115 Cb 0.95 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 3hqd h MET 115 CO 0.07 1.23 -2.01 -1.91 1.06 0.00 0.00 176.91 175.35 3hqd n GLU 116 N -4.02 0.42 0.00 1.72 4.07 0.36 -0.78 120.64 122.40 3hqd n GLU 116 Ca -0.11 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 3hqd n GLU 116 Cb 0.78 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 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 2.32 -2.05 0.78 8.31 0.00 -0.42 -0.70 105.19 113.44 3hqd n GLY 117 Ca -0.33 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 3hqd n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hqd n GLU 118 N 0.00 0.50 -5.12 1.61 1.02 0.16 -4.72 120.64 114.10 3hqd n GLU 118 Ca 0.00 -0.81 -0.32 0.00 -0.02 0.00 0.00 57.16 56.01 3hqd n GLU 118 Cb 0.00 0.54 -0.16 0.00 -0.02 0.00 0.00 31.44 31.80 3hqd n GLU 118 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3hqd s ARG 119 N -2.35 2.90 0.60 3.49 1.81 -1.26 -3.12 118.95 121.02 3hqd s ARG 119 Ca 0.07 -0.84 -0.18 0.00 -1.72 0.00 0.00 55.73 53.07 3hqd s ARG 119 Cb 0.00 -2.33 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 3hqd s ARG 119 CO 0.05 0.29 1.16 -1.12 -0.68 0.00 0.00 175.30 175.00 3hqd s SER 120 N 0.08 5.27 0.80 0.23 0.01 -1.26 -4.99 113.70 113.84 3hqd s SER 120 Ca -0.10 2.23 -0.14 0.00 1.31 0.00 0.00 55.95 59.26 3hqd s SER 120 Cb -0.16 -2.58 0.08 0.00 0.21 0.00 0.00 66.02 63.57 3hqd s SER 120 CO 0.06 -1.53 1.22 -2.84 0.41 0.00 0.00 173.24 170.56 3hqd s PRO 121 N -3.52 1.69 -1.25 12.44 0.02 -1.26 -3.97 135.00 139.15 3hqd s PRO 121 Ca 0.73 1.79 -0.07 0.00 0.02 0.00 0.00 61.00 63.48 3hqd s PRO 121 Cb -0.26 -1.78 0.05 0.00 0.02 0.00 0.00 34.50 32.53 3hqd s PRO 121 CO 0.34 -2.18 0.39 0.09 -0.33 0.00 0.00 177.00 175.30 3hqd n ASN 122 N -3.19 -4.01 -3.27 2.53 4.13 -1.26 -2.57 115.26 107.62 3hqd n ASN 122 Ca 0.14 -0.23 -0.20 0.00 1.68 0.00 0.00 54.58 55.97 3hqd n ASN 122 Cb 0.50 -3.33 -0.02 0.00 -1.54 0.00 0.00 39.78 35.40 3hqd n ASN 122 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hqd n GLU 123 N -3.54 -2.67 0.06 3.52 1.02 -1.25 -4.75 120.64 113.02 3hqd n GLU 123 Ca -0.06 0.30 0.06 0.00 -0.02 0.00 0.00 57.16 57.45 3hqd n GLU 123 Cb 0.57 -4.92 0.30 0.00 -0.02 0.00 0.00 31.44 27.37 3hqd n GLU 123 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hqd n GLU 124 N -3.38 0.07 -3.88 3.49 2.13 -1.06 -4.70 120.64 113.30 3hqd n GLU 124 Ca 0.00 0.46 -0.09 0.00 0.66 0.00 0.00 57.16 58.19 3hqd n GLU 124 Cb 0.52 -1.68 -0.08 0.00 0.27 0.00 0.00 31.44 30.47 3hqd n GLU 124 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3hqd s TYR 125 N -3.19 0.15 0.47 4.31 1.51 -1.26 -5.04 117.35 114.30 3hqd s TYR 125 Ca 0.02 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.50 3hqd s TYR 125 Cb 0.05 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.78 3hqd s TYR 125 CO 0.18 -0.48 0.78 0.95 -1.11 0.00 0.00 175.55 175.88 3hqd s THR 126 N -3.32 4.89 0.23 -0.71 -4.23 -1.26 -4.79 115.64 106.44 3hqd s THR 126 Ca 0.01 0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.66 3hqd s THR 126 Cb 0.03 -3.84 0.28 0.00 1.34 0.00 0.00 72.50 70.30 3hqd s THR 126 CO -0.08 -0.79 1.58 -0.25 -0.54 0.00 0.00 174.62 174.54 3hqd h TRP 127 N 0.42 -0.69 -0.33 3.99 2.91 -2.00 0.16 115.95 120.42 3hqd h TRP 127 Ca -0.47 0.08 -0.06 0.00 1.13 0.00 0.00 58.89 59.57 3hqd h TRP 127 Cb 1.20 0.43 -0.02 0.00 -0.51 0.00 0.00 29.16 30.26 3hqd h TRP 127 CO 0.59 -0.37 -0.07 0.93 -1.03 0.00 0.00 178.44 178.49 3hqd h GLU 128 N -0.04 0.53 0.00 2.65 3.07 -1.93 -2.86 114.58 116.00 3hqd h GLU 128 Ca 0.35 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.97 3hqd h GLU 128 Cb 0.59 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3hqd h GLU 128 CO -0.84 0.61 -0.47 0.93 -1.40 0.00 0.00 179.01 177.84 3hqd h GLU 129 N 0.50 0.00 -6.42 2.33 4.39 -1.43 -3.47 114.58 110.48 3hqd h GLU 129 Ca 0.10 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.20 3hqd h GLU 129 Cb 0.43 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.13 3hqd h GLU 129 CO 0.02 0.47 0.84 -3.47 -1.16 0.00 0.00 179.01 175.71 3hqd n ASP 130 N -3.32 3.03 0.16 1.42 -0.08 -0.14 -4.88 116.55 112.74 3hqd n ASP 130 Ca 0.01 1.06 0.13 0.00 -1.51 0.00 0.00 54.79 54.48 3hqd n ASP 130 Cb 0.66 -1.39 0.52 0.00 2.34 0.00 0.00 41.12 43.26 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 6.60 0.00 -0.00 -0.67 0.13 -1.90 -2.37 132.00 133.79 3hqd h PRO 131 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hqd h PRO 131 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3hqd h PRO 131 CO 0.89 0.00 -0.56 1.28 -0.23 0.00 0.00 178.00 179.38 3hqd n LEU 132 N -2.39 0.90 -4.78 1.56 4.77 -1.26 -4.12 117.00 111.69 3hqd n LEU 132 Ca 0.02 -0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.33 3hqd n LEU 132 Cb 0.25 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3hqd n LEU 132 CO 0.21 0.20 1.13 0.00 -1.33 0.00 0.00 177.39 177.60 3hqd s ALA 133 N -2.83 3.48 0.58 -1.18 0.00 -0.89 -0.66 121.76 120.25 3hqd s ALA 133 Ca 0.14 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3hqd s ALA 133 Cb 0.18 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3hqd s ALA 133 CO 0.69 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3hqd n GLY 134 N 0.47 0.15 0.25 0.00 0.00 0.13 -4.73 105.19 101.46 3hqd n GLY 134 Ca 0.02 -1.86 -0.08 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 -0.58 1.22 0.40 -0.61 2.04 -0.72 -3.14 117.51 116.12 3hqd h ILE 135 Ca 0.00 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3hqd h ILE 135 Cb 0.00 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3hqd h ILE 135 CO 0.00 0.26 -0.19 0.40 0.00 0.00 0.00 178.15 178.62 3hqd h ILE 136 N 0.78 0.58 -0.89 -0.67 2.04 -1.23 -0.78 117.51 117.34 3hqd h ILE 136 Ca 0.19 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.80 3hqd h ILE 136 Cb 0.19 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 3hqd h ILE 136 CO -0.02 0.07 0.58 1.55 0.00 0.00 0.00 178.15 180.33 3hqd h PRO 137 N -0.75 0.84 -0.41 2.37 0.13 -1.79 -1.84 132.00 130.54 3hqd h PRO 137 Ca -0.06 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 3hqd h PRO 137 Cb 0.52 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 3hqd h PRO 137 CO 0.09 0.55 -0.09 0.00 -0.23 0.00 0.00 178.00 178.32 3hqd h ARG 138 N 0.86 0.79 -0.76 0.86 3.08 -1.48 -3.06 114.38 114.66 3hqd h ARG 138 Ca 0.42 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3hqd h ARG 138 Cb 0.46 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3hqd h ARG 138 CO -0.19 0.91 0.26 1.15 -1.07 0.00 0.00 179.97 181.04 3hqd h THR 139 N 0.61 1.26 -0.43 2.04 2.02 -0.37 -0.31 112.91 117.73 3hqd h THR 139 Ca 0.11 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 3hqd h THR 139 Cb 0.62 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3hqd h THR 139 CO 0.04 0.35 0.08 -0.07 0.37 0.00 0.00 175.52 176.30 3hqd h LEU 140 N 1.13 0.60 0.18 2.58 3.38 -1.36 0.24 115.31 122.06 3hqd h LEU 140 Ca 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hqd h LEU 140 Cb 0.28 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hqd h LEU 140 CO -0.01 0.61 -0.09 -0.74 0.09 0.00 0.00 178.44 178.30 3hqd h HIS 141 N 0.63 -0.23 -0.79 1.13 2.76 -1.35 -3.27 115.15 114.02 3hqd h HIS 141 Ca 0.14 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3hqd h HIS 141 Cb 0.27 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.26 3hqd h HIS 141 CO 0.01 0.14 0.42 0.37 -1.30 0.00 0.00 177.93 177.57 3hqd h GLN 142 N -0.65 1.11 -0.46 5.26 5.75 -0.82 -2.92 115.11 122.38 3hqd h GLN 142 Ca -0.03 -0.13 0.09 0.00 -0.15 0.00 0.00 58.65 58.43 3hqd h GLN 142 Cb 0.47 -0.22 -0.09 0.00 1.07 0.00 0.00 27.48 28.72 3hqd h GLN 142 CO 0.04 0.82 -0.11 0.82 -2.65 0.00 0.00 178.83 177.76 3hqd h ILE 143 N 1.11 0.54 -0.42 2.39 1.08 -0.58 -0.36 117.51 121.28 3hqd h ILE 143 Ca 0.28 -0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.62 3hqd h ILE 143 Cb 0.05 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3hqd h ILE 143 CO -0.04 0.00 -0.24 -0.26 -0.69 0.00 0.00 178.15 176.92 3hqd h PHE 144 N 0.00 1.04 0.11 1.37 0.04 -1.60 -1.21 116.94 116.70 3hqd h PHE 144 Ca 0.22 -0.27 0.02 0.00 2.80 0.00 0.00 57.97 60.74 3hqd h PHE 144 Cb 0.34 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 3hqd h PHE 144 CO -0.39 1.06 -0.36 0.93 -0.60 0.00 0.00 178.31 178.95 3hqd h GLU 145 N 0.72 -0.56 -0.63 1.51 4.39 -1.19 0.53 114.58 119.35 3hqd h GLU 145 Ca 0.09 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 3hqd h GLU 145 Cb 0.81 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 3hqd h GLU 145 CO 0.07 -0.37 0.18 0.87 -1.16 0.00 0.00 179.01 178.59 3hqd h LYS 146 N -0.58 0.96 -0.43 2.33 1.57 -1.07 -0.64 116.57 118.71 3hqd h LYS 146 Ca 0.03 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 3hqd h LYS 146 Cb 0.62 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3hqd h LYS 146 CO -0.22 0.84 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.38 3hqd h LEU 147 N 0.93 0.78 -0.55 2.94 3.38 -0.85 0.15 115.31 122.09 3hqd h LEU 147 Ca 0.20 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3hqd h LEU 147 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3hqd h LEU 147 CO -0.01 0.94 -0.03 0.74 0.09 0.00 0.00 178.44 180.17 3hqd h THR 148 N 0.62 1.27 -0.14 0.22 2.02 -0.76 -2.33 112.91 113.80 3hqd h THR 148 Ca 0.11 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 3hqd h THR 148 Cb 0.56 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3hqd h THR 148 CO 0.03 0.42 -0.19 0.44 0.37 0.00 0.00 175.52 176.59 3hqd h ASP 149 N 0.88 0.22 -0.34 4.18 3.45 -0.92 -3.06 116.42 120.84 3hqd h ASP 149 Ca 0.15 -0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.47 3hqd h ASP 149 Cb 0.59 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3hqd h ASP 149 CO 0.04 0.43 -0.14 -1.13 -1.57 0.00 0.00 179.24 176.86 3hqd h ASN 150 N 0.22 0.72 0.00 6.45 -0.73 -0.19 -3.48 115.58 118.56 3hqd h ASN 150 Ca 0.04 -0.40 0.00 0.00 1.87 0.00 0.00 56.30 57.81 3hqd h ASN 150 Cb 0.47 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.86 3hqd h ASN 150 CO 0.03 0.95 0.00 0.61 -0.37 0.00 0.00 177.43 178.65 3hqd n GLY 151 N -0.08 1.95 3.60 1.57 0.00 -0.94 -5.07 105.19 106.21 3hqd n GLY 151 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.90 0.00 -3.09 2.61 5.66 -1.26 -4.94 114.28 111.35 3hqd n THR 152 Ca 0.00 -0.14 -0.41 0.00 -3.05 0.00 0.00 64.05 60.46 3hqd n THR 152 Cb 0.00 -0.98 -0.06 0.00 -1.55 0.00 0.00 70.33 67.74 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 -4.51 4.11 0.10 1.09 2.12 -0.44 -4.93 118.70 116.23 3hqd s GLU 153 Ca 0.67 0.57 0.03 0.00 0.36 0.00 0.00 54.97 56.60 3hqd s GLU 153 Cb -0.24 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 3hqd s GLU 153 CO 0.61 -0.42 -0.09 -0.59 -0.54 0.00 0.00 175.26 174.23 3hqd s PHE 154 N 2.53 0.98 -0.02 5.30 -0.12 -1.26 -0.86 117.98 124.52 3hqd s PHE 154 Ca 0.27 -0.73 0.02 0.00 -0.05 0.00 0.00 56.93 56.44 3hqd s PHE 154 Cb -0.15 -0.55 0.00 0.00 -0.63 0.00 0.00 43.02 41.69 3hqd s PHE 154 CO 0.08 -0.05 -0.08 0.45 -0.05 0.00 0.00 175.22 175.58 3hqd s SER 155 N -2.62 1.08 -0.10 1.98 0.15 -0.58 -5.00 113.70 108.62 3hqd s SER 155 Ca 0.07 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.59 3hqd s SER 155 Cb -0.00 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 3hqd s SER 155 CO -0.01 0.05 -0.21 -0.69 1.20 0.00 0.00 173.24 173.57 3hqd s VAL 156 N 0.24 2.32 -0.04 4.45 1.01 -1.26 -1.61 120.40 125.52 3hqd s VAL 156 Ca -0.04 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3hqd s VAL 156 Cb -0.08 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3hqd s VAL 156 CO 0.00 0.55 -0.14 -0.75 0.00 0.00 0.00 175.10 174.77 3hqd s LYS 157 N 0.25 1.52 0.17 2.72 2.20 -0.22 -0.44 119.74 125.95 3hqd s LYS 157 Ca -0.15 -0.49 0.08 0.00 -0.36 0.00 0.00 55.97 55.06 3hqd s LYS 157 Cb -0.17 -1.33 -0.04 0.00 -1.51 0.00 0.00 37.83 34.78 3hqd s LYS 157 CO 0.07 0.17 -0.17 0.14 -0.36 0.00 0.00 175.35 175.20 3hqd s VAL 158 N 0.19 1.81 -0.03 4.02 -7.23 -0.44 -0.05 120.40 118.66 3hqd s VAL 158 Ca -0.05 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 57.97 3hqd s VAL 158 Cb -0.11 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 34.97 3hqd s VAL 158 CO 0.02 -0.37 0.35 -0.94 -0.31 0.00 0.00 175.10 173.85 3hqd s SER 159 N -2.81 -0.26 -0.06 4.85 1.04 -0.24 -1.07 113.70 115.16 3hqd s SER 159 Ca 0.17 0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.80 3hqd s SER 159 Cb -0.05 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.49 3hqd s SER 159 CO 0.07 -0.43 0.11 -0.22 0.98 0.00 0.00 173.24 173.75 3hqd s LEU 160 N -1.15 0.51 0.10 2.42 2.96 -1.26 -0.81 118.68 121.45 3hqd s LEU 160 Ca -0.12 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.01 3hqd s LEU 160 Cb -0.04 0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.77 3hqd s LEU 160 CO 0.04 -0.18 -0.01 -1.48 -1.32 0.00 0.00 176.35 173.40 3hqd s LEU 161 N 1.58 2.25 0.05 -0.68 0.05 -0.89 -0.62 118.68 120.42 3hqd s LEU 161 Ca -0.04 -1.08 0.05 0.00 0.05 0.00 0.00 54.13 53.11 3hqd s LEU 161 Cb -0.12 0.14 -0.03 0.00 -2.05 0.00 0.00 46.19 44.13 3hqd s LEU 161 CO -0.05 -0.61 -0.15 -1.83 -0.55 0.00 0.00 176.35 173.16 3hqd s GLU 162 N -3.94 0.96 -0.42 1.48 -1.05 -0.76 -0.94 118.70 114.03 3hqd s GLU 162 Ca 0.15 -0.86 -0.11 0.00 -0.15 0.00 0.00 54.97 54.00 3hqd s GLU 162 Cb 0.07 -1.00 0.07 0.00 -0.44 0.00 0.00 34.13 32.83 3hqd s GLU 162 CO -0.04 0.24 0.28 0.42 0.95 0.00 0.00 175.26 177.11 3hqd s ILE 163 N -0.98 4.50 -0.27 1.83 1.01 0.47 -1.87 121.20 125.90 3hqd s ILE 163 Ca 0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.40 3hqd s ILE 163 Cb -0.09 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.71 3hqd s ILE 163 CO 0.02 -0.48 -0.02 -0.47 0.00 0.00 0.00 174.94 173.99 3hqd s TYR 164 N 1.49 3.12 -1.29 3.97 5.04 -0.11 -1.74 117.35 127.84 3hqd s TYR 164 Ca 0.03 -1.49 -0.09 0.00 -2.44 0.00 0.00 57.07 53.09 3hqd s TYR 164 Cb -0.23 -2.11 -0.00 0.00 0.35 0.00 0.00 41.96 39.97 3hqd s TYR 164 CO 0.04 -0.71 0.60 0.09 -1.34 0.00 0.00 175.55 174.23 3hqd n ASN 165 N 4.70 -2.39 -2.19 4.32 5.03 -1.26 -1.44 115.26 122.03 3hqd n ASN 165 Ca -0.15 -0.99 -0.18 0.00 0.87 0.00 0.00 54.58 54.13 3hqd n ASN 165 Cb 0.47 -3.30 -0.03 0.00 -1.02 0.00 0.00 39.78 35.90 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 -4.31 -1.77 -4.21 3.52 -0.58 -1.26 -4.98 120.64 107.05 3hqd n GLU 166 Ca -0.22 0.90 -0.18 0.00 -0.42 0.00 0.00 57.16 57.23 3hqd n GLU 166 Cb 0.65 -5.47 -0.12 0.00 -0.57 0.00 0.00 31.44 25.94 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 -4.66 0.93 -0.17 3.49 0.41 -0.52 -4.90 118.70 113.28 3hqd s GLU 167 Ca 0.00 -1.10 -0.05 0.00 -0.41 0.00 0.00 54.97 53.40 3hqd s GLU 167 Cb 0.00 -0.89 -0.03 0.00 -1.78 0.00 0.00 34.13 31.43 3hqd s GLU 167 CO 0.00 0.18 0.00 -0.51 -0.49 0.00 0.00 175.26 174.45 3hqd s LEU 168 N -2.10 3.48 -0.07 1.80 1.43 -1.26 -0.93 118.68 121.03 3hqd s LEU 168 Ca 0.04 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3hqd s LEU 168 Cb -0.07 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3hqd s LEU 168 CO 0.03 0.17 -0.09 -0.36 0.23 0.00 0.00 176.35 176.32 3hqd s PHE 169 N 0.38 1.29 0.11 0.29 0.40 -0.78 -0.95 117.98 118.72 3hqd s PHE 169 Ca -0.01 -0.50 -0.31 0.00 -0.60 0.00 0.00 56.93 55.51 3hqd s PHE 169 Cb -0.13 -1.01 -0.07 0.00 0.51 0.00 0.00 43.02 42.31 3hqd s PHE 169 CO 0.02 -0.31 1.34 0.34 0.70 0.00 0.00 175.22 177.31 3hqd s ASP 170 N 0.95 6.89 0.00 1.36 -1.08 -1.26 -1.84 116.67 121.70 3hqd s ASP 170 Ca -0.10 2.25 0.22 0.00 -0.52 0.00 0.00 52.55 54.41 3hqd s ASP 170 Cb -0.15 -2.59 -0.09 0.00 -1.46 0.00 0.00 42.92 38.64 3hqd s ASP 170 CO 0.00 -0.60 1.01 0.18 0.52 0.00 0.00 175.17 176.29 3hqd n LEU 171 N 3.84 1.23 -0.21 -1.34 4.77 0.20 -4.33 117.00 121.17 3hqd n LEU 171 Ca 0.10 -0.52 0.08 0.00 -0.03 0.00 0.00 56.01 55.64 3hqd n LEU 171 Cb 0.43 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 3hqd n LEU 171 CO 0.58 0.27 0.14 0.18 -1.33 0.00 0.00 177.39 177.23 3hqd n LEU 172 N -1.09 1.25 -4.66 2.23 4.77 -1.25 -4.45 117.00 113.80 3hqd n LEU 172 Ca 0.06 -0.65 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 3hqd n LEU 172 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3hqd n LEU 172 CO 0.38 0.26 1.53 0.21 -1.33 0.00 0.00 177.39 178.44 3hqd s ASN 173 N -2.14 6.50 0.04 -1.43 3.84 -1.26 -4.84 114.94 115.65 3hqd s ASN 173 Ca 0.10 2.58 0.28 0.00 0.21 0.00 0.00 52.86 56.03 3hqd s ASN 173 Cb 0.12 -2.54 1.14 0.00 -0.55 0.00 0.00 41.25 39.43 3hqd s ASN 173 CO 0.50 -1.02 1.89 -0.81 -2.79 0.00 0.00 177.10 174.88 3hqd n PRO 174 N 7.21 0.05 -1.05 0.43 -0.04 -1.26 -4.91 135.00 135.44 3hqd n PRO 174 Ca 0.19 0.04 -0.35 0.00 -0.04 0.00 0.00 63.50 63.35 3hqd n PRO 174 Cb 0.41 -1.56 0.09 0.00 -0.04 0.00 0.00 33.50 32.40 3hqd n PRO 174 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hqd n SER 175 N -1.66 -1.65 0.09 3.54 2.88 -1.26 -4.91 113.62 110.66 3hqd n SER 175 Ca 0.07 0.47 0.12 0.00 -1.33 0.00 0.00 58.87 58.19 3hqd n SER 175 Cb 0.36 -1.21 0.09 0.00 -0.75 0.00 0.00 64.21 62.70 3hqd n SER 175 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3hqd h SER 176 N -0.91 0.00 -4.17 -3.46 0.87 -2.04 -3.48 113.55 100.36 3hqd h SER 176 Ca -0.45 -0.11 -0.53 0.00 -1.23 0.00 0.00 61.79 59.48 3hqd h SER 176 Cb 1.32 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 63.42 3hqd h SER 176 CO 0.39 0.05 0.40 -1.81 -0.53 0.00 0.00 176.83 175.33 3hqd s ASP 177 N -4.87 4.43 0.56 6.23 1.01 -1.26 -4.95 116.67 117.82 3hqd s ASP 177 Ca 0.03 2.33 -0.21 0.00 0.71 0.00 0.00 52.55 55.41 3hqd s ASP 177 Cb 0.11 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3hqd s ASP 177 CO 0.75 -2.10 1.28 0.68 0.21 0.00 0.00 175.17 175.99 3hqd s VAL 178 N -1.96 2.37 0.25 -1.27 -7.23 -1.26 -4.92 120.40 106.37 3hqd s VAL 178 Ca 0.74 0.26 -0.30 0.00 -1.81 0.00 0.00 61.98 60.87 3hqd s VAL 178 Cb -0.29 -3.12 -0.09 0.00 0.56 0.00 0.00 36.38 33.44 3hqd s VAL 178 CO 0.43 -0.02 1.15 -0.44 -0.31 0.00 0.00 175.10 175.91 3hqd s SER 179 N -1.24 7.16 0.21 4.85 0.01 -1.26 -5.04 113.70 118.38 3hqd s SER 179 Ca 0.74 2.28 0.01 0.00 1.31 0.00 0.00 55.95 60.29 3hqd s SER 179 Cb -0.36 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.21 3hqd s SER 179 CO 0.41 -0.26 0.38 -1.61 0.41 0.00 0.00 173.24 172.57 3hqd s GLU 180 N -1.01 3.49 -0.09 12.44 2.02 -1.26 -5.04 118.70 129.25 3hqd s GLU 180 Ca 0.48 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 3hqd s GLU 180 Cb -0.33 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 3hqd s GLU 180 CO 0.40 0.41 1.58 1.03 0.02 0.00 0.00 175.26 178.70 3hqd s ARG 181 N -3.45 4.16 0.30 1.61 0.52 -1.26 -4.69 118.95 116.14 3hqd s ARG 181 Ca 0.37 2.05 -0.27 0.00 -0.52 0.00 0.00 55.73 57.36 3hqd s ARG 181 Cb -0.11 -3.95 -0.09 0.00 0.52 0.00 0.00 34.95 31.32 3hqd s ARG 181 CO 0.29 -0.86 0.98 -0.51 0.02 0.00 0.00 175.30 175.22 3hqd s LEU 182 N 4.04 4.44 0.07 2.53 1.43 -0.13 -4.95 118.68 126.12 3hqd s LEU 182 Ca 0.70 1.95 -0.08 0.00 -1.03 0.00 0.00 54.13 55.67 3hqd s LEU 182 Cb -0.30 -3.86 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 3hqd s LEU 182 CO 0.27 -0.06 0.36 -1.10 0.23 0.00 0.00 176.35 176.04 3hqd s GLN 183 N -1.76 3.68 -0.08 1.70 -1.52 -1.26 -4.37 119.66 116.05 3hqd s GLN 183 Ca 0.48 0.05 0.03 0.00 -1.95 0.00 0.00 55.36 53.96 3hqd s GLN 183 Cb -0.23 -2.99 -0.02 0.00 -0.22 0.00 0.00 33.01 29.54 3hqd s GLN 183 CO 0.29 0.57 -0.14 1.41 -0.25 0.00 0.00 175.29 177.16 3hqd s MET 184 N -2.01 2.79 0.08 2.91 -2.45 -1.26 -1.86 119.30 117.50 3hqd s MET 184 Ca 0.33 -0.70 0.03 0.00 -1.25 0.00 0.00 55.69 54.09 3hqd s MET 184 Cb -0.13 -2.45 -0.03 0.00 1.25 0.00 0.00 34.83 33.46 3hqd s MET 184 CO 0.19 0.48 -0.08 -0.06 1.05 0.00 0.00 175.02 176.59 3hqd s PHE 185 N -0.36 0.91 0.52 4.11 0.40 0.12 -4.96 117.98 118.72 3hqd s PHE 185 Ca 0.04 -0.70 -0.21 0.00 -0.60 0.00 0.00 56.93 55.46 3hqd s PHE 185 Cb -0.12 -0.52 -0.06 0.00 0.51 0.00 0.00 43.02 42.83 3hqd s PHE 185 CO 0.02 -0.07 1.20 -0.51 0.70 0.00 0.00 175.22 176.57 3hqd s ASP 186 N -2.41 5.74 -0.20 1.36 1.01 -1.26 0.12 116.67 121.03 3hqd s ASP 186 Ca 0.04 2.37 -0.29 0.00 0.71 0.00 0.00 52.55 55.38 3hqd s ASP 186 Cb -0.02 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 3hqd s ASP 186 CO -0.01 -1.22 1.35 -0.62 0.21 0.00 0.00 175.17 174.88 3hqd s ASP 187 N -1.42 6.78 0.13 0.27 -1.08 -0.88 -4.57 116.67 115.91 3hqd s ASP 187 Ca 0.69 1.59 -0.22 0.00 -0.52 0.00 0.00 52.55 54.10 3hqd s ASP 187 Cb -0.30 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.61 3hqd s ASP 187 CO 0.35 -0.92 1.66 -0.65 0.52 0.00 0.00 175.17 176.13 3hqd h PRO 188 N 8.91 -0.18 -1.08 4.34 0.11 -1.92 -1.95 132.00 140.23 3hqd h PRO 188 Ca -0.28 0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.65 3hqd h PRO 188 Cb 1.11 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 3hqd h PRO 188 CO 0.99 -0.12 0.25 2.89 -0.21 0.00 0.00 178.00 181.80 3hqd n ARG 189 N -5.31 1.47 0.00 1.05 1.85 -1.26 -4.61 116.66 109.85 3hqd n ARG 189 Ca -0.02 -1.09 0.00 0.00 -1.00 0.00 0.00 57.85 55.73 3hqd n ARG 189 Cb 0.22 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 3hqd n ARG 189 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3hqd n ASN 190 N -0.01 0.00 0.00 2.89 5.15 -0.73 -5.00 115.26 117.56 3hqd n ASN 190 Ca 0.22 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.22 3hqd n ASN 190 Cb 0.88 0.00 0.17 0.00 -0.53 0.00 0.00 39.78 40.30 3hqd n ASN 190 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 3hqd n LYS 191 N 0.00 0.29 -3.06 1.20 2.85 -1.24 -3.30 118.16 114.90 3hqd n LYS 191 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 3hqd n LYS 191 Cb 0.00 -1.30 -0.05 0.00 -0.65 0.00 0.00 35.03 33.03 3hqd n LYS 191 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hqd n ARG 192 N -0.80 3.22 0.00 -1.58 1.74 -1.26 -4.97 116.66 113.02 3hqd n ARG 192 Ca 0.04 -4.79 0.00 0.00 -0.77 0.00 0.00 57.85 52.33 3hqd n ARG 192 Cb 0.02 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 3hqd n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hqd n GLY 193 N 0.13 -0.69 3.34 -0.13 0.00 -1.21 -4.87 105.19 101.76 3hqd n GLY 193 Ca 0.32 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 3hqd n GLY 193 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqd s VAL 194 N -2.00 0.95 -0.09 1.61 -7.23 -1.26 -2.07 120.40 110.31 3hqd s VAL 194 Ca 0.00 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 3hqd s VAL 194 Cb 0.00 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.50 3hqd s VAL 194 CO 0.00 -0.23 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.80 3hqd s ILE 195 N -3.47 1.32 -0.49 -0.62 1.01 0.33 -4.62 121.20 114.66 3hqd s ILE 195 Ca 0.31 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 3hqd s ILE 195 Cb 0.07 -1.22 0.10 0.00 0.01 0.00 0.00 42.46 41.42 3hqd s ILE 195 CO 0.10 0.40 0.41 -0.63 0.00 0.00 0.00 174.94 175.23 3hqd s ILE 196 N 0.88 5.02 0.11 2.92 -1.09 -1.26 -0.71 121.20 127.08 3hqd s ILE 196 Ca -0.10 -1.31 -0.31 0.00 -2.23 0.00 0.00 60.65 56.70 3hqd s ILE 196 Cb -0.15 -4.11 -0.08 0.00 -1.58 0.00 0.00 42.46 36.54 3hqd s ILE 196 CO 0.01 -0.69 1.50 -0.75 -1.23 0.00 0.00 174.94 173.78 3hqd s LYS 197 N 1.58 4.26 0.00 2.79 2.20 -0.78 -2.62 119.74 127.17 3hqd s LYS 197 Ca 0.04 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 3hqd s LYS 197 Cb -0.26 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3hqd s LYS 197 CO 0.04 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 3hqd n GLY 198 N 3.70 1.75 3.72 5.54 0.00 -1.26 -4.24 105.19 114.40 3hqd n GLY 198 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 4.37 0.05 0.99 2.96 -1.08 -4.95 118.68 121.03 3hqd s LEU 199 Ca 0.00 2.72 -0.31 0.00 -0.22 0.00 0.00 54.13 56.32 3hqd s LEU 199 Cb 0.00 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 43.03 3hqd s LEU 199 CO 0.00 -0.86 1.21 -1.61 -1.32 0.00 0.00 176.35 173.77 3hqd s GLU 200 N 0.87 4.42 -0.38 1.98 0.41 -1.26 -5.00 118.70 119.73 3hqd s GLU 200 Ca 0.70 1.78 0.03 0.00 -0.41 0.00 0.00 54.97 57.06 3hqd s GLU 200 Cb -0.45 -3.37 0.11 0.00 -1.78 0.00 0.00 34.13 28.64 3hqd s GLU 200 CO 0.34 -0.29 0.12 -1.21 -0.49 0.00 0.00 175.26 173.74 3hqd s GLU 201 N 1.19 1.42 -0.20 1.61 2.02 -1.26 -4.46 118.70 119.03 3hqd s GLU 201 Ca 0.59 -1.90 -0.24 0.00 0.02 0.00 0.00 54.97 53.44 3hqd s GLU 201 Cb -0.29 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 3hqd s GLU 201 CO 0.29 -1.01 0.77 0.42 0.02 0.00 0.00 175.26 175.75 3hqd s ILE 202 N 0.72 4.90 0.15 -1.63 1.01 -0.23 -4.79 121.20 121.33 3hqd s ILE 202 Ca 0.13 1.48 -0.31 0.00 0.00 0.00 0.00 60.65 61.95 3hqd s ILE 202 Cb -0.21 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.11 3hqd s ILE 202 CO -0.09 0.01 1.36 -0.89 0.00 0.00 0.00 174.94 175.34 3hqd s THR 203 N 2.34 3.26 0.00 2.92 2.01 -1.26 -1.33 115.64 123.58 3hqd s THR 203 Ca 0.34 0.95 0.06 0.00 0.31 0.00 0.00 61.69 63.34 3hqd s THR 203 Cb -0.16 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 3hqd s THR 203 CO 0.10 0.10 -0.17 0.68 -0.69 0.00 0.00 174.62 174.64 3hqd s VAL 204 N 0.74 1.37 -0.70 3.82 -7.23 0.42 -4.96 120.40 113.85 3hqd s VAL 204 Ca 0.62 -0.83 0.17 0.00 -1.81 0.00 0.00 61.98 60.12 3hqd s VAL 204 Cb -0.37 -1.16 -0.19 0.00 0.56 0.00 0.00 36.38 35.22 3hqd s VAL 204 CO 0.33 0.31 0.68 1.41 -0.31 0.00 0.00 175.10 177.52 3hqd n HIS 205 N 2.45 0.00 -3.78 2.82 8.25 -1.26 -4.06 115.22 119.64 3hqd n HIS 205 Ca -0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.27 3hqd n HIS 205 Cb 0.54 -0.05 -0.01 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 -2.77 -0.13 0.30 0.41 2.20 -1.26 -5.04 114.94 108.65 3hqd s ASN 206 Ca 0.05 -0.49 -0.01 0.00 -0.94 0.00 0.00 52.86 51.47 3hqd s ASN 206 Cb 0.13 0.50 0.47 0.00 -2.00 0.00 0.00 41.25 40.34 3hqd s ASN 206 CO 0.70 -0.94 1.95 0.07 -2.94 0.00 0.00 177.10 175.94 3hqd h LYS 207 N 2.00 1.07 -0.52 3.55 2.10 -1.92 -2.13 116.57 120.71 3hqd h LYS 207 Ca -0.25 -0.06 0.01 0.00 -2.00 0.00 0.00 60.65 58.35 3hqd h LYS 207 Cb 1.23 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 32.29 3hqd h LYS 207 CO 0.28 0.71 0.33 -0.44 -2.00 0.00 0.00 179.45 178.33 3hqd h ASP 208 N 1.10 0.56 -0.59 7.07 5.19 -1.97 0.81 116.42 128.59 3hqd h ASP 208 Ca 0.33 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 3hqd h ASP 208 Cb -0.02 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.33 3hqd h ASP 208 CO -0.09 0.40 0.26 -0.33 -3.12 0.00 0.00 179.24 176.36 3hqd h GLU 209 N 0.67 0.87 -0.28 3.56 5.08 -1.88 -2.32 114.58 120.28 3hqd h GLU 209 Ca 0.20 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3hqd h GLU 209 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3hqd h GLU 209 CO -0.06 0.72 -0.17 0.28 -1.00 0.00 0.00 179.01 178.78 3hqd h VAL 210 N 0.81 1.30 -0.99 3.13 2.07 -0.73 -3.07 116.25 118.77 3hqd h VAL 210 Ca 0.20 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.49 3hqd h VAL 210 Cb 0.16 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 3hqd h VAL 210 CO -0.02 0.41 0.64 1.88 0.02 0.00 0.00 177.57 180.50 3hqd h TYR 211 N 0.35 1.18 -0.36 1.57 0.05 0.79 0.28 116.97 120.83 3hqd h TYR 211 Ca 0.06 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3hqd h TYR 211 Cb 0.70 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 3hqd h TYR 211 CO 0.06 0.63 0.15 0.37 -1.05 0.00 0.00 178.16 178.33 3hqd h GLN 212 N 1.17 0.53 -0.26 4.88 4.15 -1.40 -1.91 115.11 122.26 3hqd h GLN 212 Ca 0.42 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.72 3hqd h GLN 212 Cb 0.13 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3hqd h GLN 212 CO -0.16 0.50 0.04 0.82 -1.93 0.00 0.00 178.83 178.10 3hqd h ILE 213 N 0.43 1.23 -0.19 2.39 2.04 -1.31 -3.13 117.51 118.97 3hqd h ILE 213 Ca 0.12 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3hqd h ILE 213 Cb 0.16 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3hqd h ILE 213 CO -0.01 0.25 0.12 0.25 0.00 0.00 0.00 178.15 178.77 3hqd h LEU 214 N 0.25 0.22 -1.10 1.44 5.85 -0.33 -0.97 115.31 120.66 3hqd h LEU 214 Ca 0.08 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3hqd h LEU 214 Cb 0.34 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3hqd h LEU 214 CO 0.01 0.16 -0.15 1.05 -0.34 0.00 0.00 178.44 179.17 3hqd h GLU 215 N 0.25 0.45 -0.12 1.25 4.11 -1.42 0.17 114.58 119.27 3hqd h GLU 215 Ca 0.07 -0.13 -0.19 0.00 0.07 0.00 0.00 59.36 59.18 3hqd h GLU 215 Cb -0.03 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3hqd h GLU 215 CO -0.01 0.60 -0.69 0.87 0.07 0.00 0.00 179.01 179.85 3hqd h LYS 216 N 0.42 0.53 0.04 1.06 1.57 -1.47 -1.99 116.57 116.73 3hqd h LYS 216 Ca 0.08 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3hqd h LYS 216 Cb 0.51 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3hqd h LYS 216 CO 0.03 1.03 -0.02 0.78 -0.57 0.00 0.00 179.45 180.70 3hqd h GLY 217 N 1.07 -0.06 1.97 3.86 0.00 -0.60 -2.96 103.07 106.36 3hqd h GLY 217 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3hqd h GLY 217 CO 0.13 -0.02 -0.24 0.00 0.00 0.00 0.00 176.54 176.40 3hqd h ALA 218 N 0.48 1.56 -0.41 3.60 0.00 -0.76 -2.57 119.26 121.17 3hqd h ALA 218 Ca -0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3hqd h ALA 218 Cb 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hqd h ALA 218 CO 0.01 0.33 0.03 0.00 0.00 0.00 0.00 179.25 179.62 3hqd h ALA 219 N 1.73 1.30 -0.01 0.00 0.00 -1.29 -2.71 119.26 118.26 3hqd h ALA 219 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hqd h ALA 219 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hqd h ALA 219 CO 0.03 0.48 -0.09 0.36 0.00 0.00 0.00 179.25 180.04 3hqd n LYS 220 N -4.27 1.43 -1.69 0.00 2.85 -0.98 -4.87 118.16 110.64 3hqd n LYS 220 Ca 0.02 -0.86 -0.43 0.00 -1.05 0.00 0.00 58.31 55.99 3hqd n LYS 220 Cb 0.25 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 33.11 3hqd n LYS 220 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3hqd n ARG 221 N -0.03 2.76 -1.61 -1.58 0.00 -1.02 -4.79 116.66 110.39 3hqd n ARG 221 Ca 0.16 1.01 -0.53 0.00 -0.00 0.00 0.00 57.85 58.49 3hqd n ARG 221 Cb 0.37 -2.90 -0.07 0.00 0.00 0.00 0.00 32.46 29.86 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 4.80 0.34 -4.30 5.15 -1.04 -1.26 -4.95 114.28 113.02 3hqd n THR 222 Ca 0.18 -0.14 -0.19 0.00 -2.04 0.00 0.00 64.05 61.87 3hqd n THR 222 Cb 0.37 -1.54 -0.15 0.00 -1.82 0.00 0.00 70.33 67.19 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 5.05 0.63 0.16 12.58 2.01 -1.26 -1.24 115.64 133.57 3hqd s THR 223 Ca 1.01 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 3hqd s THR 223 Cb -0.90 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3hqd s THR 223 CO 0.56 0.20 0.27 0.00 -0.69 0.00 0.00 174.62 174.96 3hqd s ALA 224 N 0.08 0.05 0.06 7.40 0.00 -0.45 -4.94 121.76 123.95 3hqd s ALA 224 Ca -0.01 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 3hqd s ALA 224 Cb -0.06 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 3hqd s ALA 224 CO -0.00 -0.63 0.53 0.00 0.00 0.00 0.00 175.76 175.65 3hqd s ALA 225 N -3.97 3.62 0.05 0.00 0.00 -1.23 -1.65 121.76 118.58 3hqd s ALA 225 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 3hqd s ALA 225 Cb 0.04 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 3hqd s ALA 225 CO -0.00 0.42 0.01 0.95 0.00 0.00 0.00 175.76 177.15 3hqd s THR 226 N -1.12 0.18 0.62 0.00 -4.23 -0.18 -4.97 115.64 105.95 3hqd s THR 226 Ca 0.28 -1.49 0.32 0.00 -1.18 0.00 0.00 61.69 59.62 3hqd s THR 226 Cb -0.19 -1.21 0.36 0.00 1.34 0.00 0.00 72.50 72.81 3hqd s THR 226 CO 0.18 -0.82 2.10 -0.07 -0.54 0.00 0.00 174.62 175.47 3hqd h LEU 227 N 3.41 0.00 0.04 4.79 3.38 -1.69 -1.16 115.31 124.08 3hqd h LEU 227 Ca -0.33 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.35 3hqd h LEU 227 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3hqd h LEU 227 CO 0.59 0.00 -1.56 0.24 0.09 0.00 0.00 178.44 177.80 3hqd h MET 228 N 0.00 0.09 -2.30 1.13 2.86 -1.79 -3.46 114.93 111.46 3hqd h MET 228 Ca 0.05 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 3hqd h MET 228 Cb 0.46 0.06 -0.28 0.00 0.06 0.00 0.00 31.60 31.90 3hqd h MET 228 CO -0.00 0.83 -0.41 1.21 1.06 0.00 0.00 176.91 179.59 3hqd s ASN 229 N -6.54 -0.07 0.59 1.22 3.84 -0.44 -4.73 114.94 108.81 3hqd s ASN 229 Ca -0.07 0.71 0.37 0.00 0.21 0.00 0.00 52.86 54.08 3hqd s ASN 229 Cb 0.08 1.25 1.75 0.00 -0.55 0.00 0.00 41.25 43.78 3hqd s ASN 229 CO 0.83 -0.26 2.13 0.00 -2.79 0.00 0.00 177.10 177.01 3hqd h ALA 230 N 8.18 1.03 -1.21 1.71 0.00 -1.84 -0.41 119.26 126.72 3hqd h ALA 230 Ca -0.17 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 3hqd h ALA 230 Cb 1.13 -0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.49 3hqd h ALA 230 CO 0.17 0.02 -0.81 0.66 0.00 0.00 0.00 179.25 179.29 3hqd n TYR 231 N -3.15 2.94 -2.31 0.00 4.01 -1.26 -3.54 117.16 113.86 3hqd n TYR 231 Ca -0.01 -2.79 -0.41 0.00 -0.16 0.00 0.00 57.90 54.53 3hqd n TYR 231 Cb 0.22 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 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 -3.53 7.00 -0.02 7.72 0.15 -0.66 -4.79 113.70 119.57 3hqd s SER 232 Ca 0.46 2.29 -0.30 0.00 0.70 0.00 0.00 55.95 59.10 3hqd s SER 232 Cb 0.40 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 3hqd s SER 232 CO -0.10 -0.45 1.16 -0.44 1.20 0.00 0.00 173.24 174.62 3hqd s SER 233 N 0.31 7.10 -0.10 5.45 0.01 -1.26 -1.34 113.70 123.88 3hqd s SER 233 Ca 0.55 1.83 0.18 0.00 1.31 0.00 0.00 55.95 59.82 3hqd s SER 233 Cb -0.34 -2.56 0.68 0.00 0.21 0.00 0.00 66.02 64.01 3hqd s SER 233 CO 0.36 -0.51 1.58 0.54 0.41 0.00 0.00 173.24 175.62 3hqd n ARG 234 N 4.75 3.50 -3.78 12.44 5.12 -0.38 -4.62 116.66 133.68 3hqd n ARG 234 Ca 0.10 -2.71 -0.08 0.00 -1.93 0.00 0.00 57.85 53.23 3hqd n ARG 234 Cb 0.47 -1.83 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 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 -0.89 -0.30 -0.18 0.55 1.04 -1.26 -4.64 113.70 108.03 3hqd s SER 235 Ca 0.49 -0.51 -0.16 0.00 0.48 0.00 0.00 55.95 56.24 3hqd s SER 235 Cb 0.31 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 67.08 3hqd s SER 235 CO 0.25 -1.25 0.41 -1.00 0.98 0.00 0.00 173.24 172.62 3hqd s HIS 236 N -3.89 3.42 -0.13 5.02 3.76 -0.71 -3.71 115.29 119.04 3hqd s HIS 236 Ca 0.10 0.68 -0.12 0.00 -0.15 0.00 0.00 55.06 55.57 3hqd s HIS 236 Cb -0.04 -2.51 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 3hqd s HIS 236 CO 0.03 0.06 0.26 0.45 -0.85 0.00 0.00 174.74 174.70 3hqd s SER 237 N 0.87 6.46 -0.26 1.40 0.15 0.74 -0.39 113.70 122.65 3hqd s SER 237 Ca 0.20 0.54 -0.00 0.00 0.70 0.00 0.00 55.95 57.39 3hqd s SER 237 Cb -0.15 -2.16 0.08 0.00 -1.71 0.00 0.00 66.02 62.08 3hqd s SER 237 CO 0.08 0.20 0.02 -0.69 1.20 0.00 0.00 173.24 174.05 3hqd s VAL 238 N -0.03 1.23 -0.30 4.45 1.01 -0.11 -0.80 120.40 125.84 3hqd s VAL 238 Ca 0.16 -1.28 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 3hqd s VAL 238 Cb -0.13 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3hqd s VAL 238 CO 0.05 -0.36 0.14 0.12 0.00 0.00 0.00 175.10 175.05 3hqd s PHE 239 N 1.49 3.17 -0.11 5.22 2.19 -0.57 -2.09 117.98 127.29 3hqd s PHE 239 Ca 0.02 -0.60 0.02 0.00 0.33 0.00 0.00 56.93 56.70 3hqd s PHE 239 Cb -0.18 -2.33 -0.01 0.00 -1.31 0.00 0.00 43.02 39.19 3hqd s PHE 239 CO -0.12 -0.46 -0.17 -1.12 1.83 0.00 0.00 175.22 175.17 3hqd s SER 240 N 1.60 3.67 -0.22 6.13 0.01 0.01 -0.45 113.70 124.45 3hqd s SER 240 Ca 0.05 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 3hqd s SER 240 Cb -0.17 -1.39 0.02 0.00 0.21 0.00 0.00 66.02 64.68 3hqd s SER 240 CO 0.06 0.19 -0.10 -0.69 0.41 0.00 0.00 173.24 173.11 3hqd s VAL 241 N 0.17 2.73 -0.18 3.43 1.01 -0.14 -1.08 120.40 126.35 3hqd s VAL 241 Ca -0.10 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 3hqd s VAL 241 Cb -0.16 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3hqd s VAL 241 CO 0.06 0.36 -0.01 -0.89 0.00 0.00 0.00 175.10 174.62 3hqd s THR 242 N 1.35 4.07 -0.22 3.92 2.01 0.93 -0.97 115.64 126.73 3hqd s THR 242 Ca 0.03 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.76 3hqd s THR 242 Cb -0.15 -2.81 0.04 0.00 0.01 0.00 0.00 72.50 69.59 3hqd s THR 242 CO -0.07 0.46 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.55 3hqd s ILE 243 N 0.59 2.20 -0.21 1.82 1.01 0.97 -1.06 121.20 126.53 3hqd s ILE 243 Ca -0.01 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.22 3hqd s ILE 243 Cb -0.14 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3hqd s ILE 243 CO 0.02 0.27 0.55 -1.00 0.00 0.00 0.00 174.94 174.78 3hqd s HIS 244 N 1.22 3.35 -0.05 3.97 3.76 -0.63 -0.78 115.29 126.13 3hqd s HIS 244 Ca -0.01 0.79 0.04 0.00 -0.15 0.00 0.00 55.06 55.73 3hqd s HIS 244 Cb -0.16 -2.72 -0.00 0.00 1.11 0.00 0.00 32.58 30.81 3hqd s HIS 244 CO -0.09 -0.16 -0.18 -1.64 -0.85 0.00 0.00 174.74 171.82 3hqd s MET 245 N 1.86 1.99 -0.06 1.40 -1.94 0.10 -1.52 119.30 121.13 3hqd s MET 245 Ca 0.25 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.58 3hqd s MET 245 Cb -0.16 -1.67 0.03 0.00 2.01 0.00 0.00 34.83 35.04 3hqd s MET 245 CO 0.10 0.22 0.02 0.21 -0.01 0.00 0.00 175.02 175.55 3hqd s LYS 246 N 0.15 0.34 0.16 2.03 2.20 -0.04 -0.84 119.74 123.74 3hqd s LYS 246 Ca -0.07 0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 3hqd s LYS 246 Cb -0.13 -0.76 -0.05 0.00 -1.51 0.00 0.00 37.83 35.38 3hqd s LYS 246 CO 0.03 -0.29 -0.03 -1.83 -0.36 0.00 0.00 175.35 172.87 3hqd s GLU 247 N 1.92 1.09 -0.17 4.03 -1.05 -0.69 -1.32 118.70 122.51 3hqd s GLU 247 Ca 0.03 -1.51 0.01 0.00 -0.15 0.00 0.00 54.97 53.35 3hqd s GLU 247 Cb -0.12 -0.38 0.02 0.00 -0.44 0.00 0.00 34.13 33.21 3hqd s GLU 247 CO -0.04 -0.07 -0.17 0.99 0.95 0.00 0.00 175.26 176.92 3hqd s THR 248 N -3.55 1.85 0.92 1.83 2.01 -1.26 -0.81 115.64 116.62 3hqd s THR 248 Ca 0.21 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 3hqd s THR 248 Cb 0.05 -1.69 0.14 0.00 0.01 0.00 0.00 72.50 71.01 3hqd s THR 248 CO 0.03 0.51 1.13 0.42 -0.69 0.00 0.00 174.62 176.01 3hqd s THR 249 N 1.37 2.08 -0.61 -0.82 -4.23 0.64 -4.89 115.64 109.19 3hqd s THR 249 Ca 0.05 0.02 0.15 0.00 -1.18 0.00 0.00 61.69 60.73 3hqd s THR 249 Cb -0.13 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 71.13 3hqd s THR 249 CO -0.12 -0.03 1.45 0.00 -0.54 0.00 0.00 174.62 175.38 3hqd n ILE 250 N -3.82 1.27 -0.23 2.99 0.13 -1.26 -0.87 119.36 117.57 3hqd n ILE 250 Ca 0.06 0.49 0.08 0.00 -1.10 0.00 0.00 62.75 62.28 3hqd n ILE 250 Cb 0.59 -1.44 0.30 0.00 -0.84 0.00 0.00 39.64 38.25 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 -1.92 4.06 -0.13 9.51 10.43 -1.26 -4.90 116.55 132.33 3hqd n ASP 251 Ca 0.00 -2.38 -0.02 0.00 2.57 0.00 0.00 54.79 54.97 3hqd n ASP 251 Cb 0.08 -0.53 -0.01 0.00 1.84 0.00 0.00 41.12 42.51 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 0.98 0.32 3.68 0.44 0.00 -0.04 -4.96 105.19 105.61 3hqd n GLY 252 Ca 0.21 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3hqd n GLY 252 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hqd s GLU 253 N -1.57 4.29 -0.33 1.61 2.12 -1.25 -4.83 118.70 118.73 3hqd s GLU 253 Ca 0.00 0.78 -0.14 0.00 0.36 0.00 0.00 54.97 55.97 3hqd s GLU 253 Cb 0.00 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 3hqd s GLU 253 CO 0.00 -0.17 0.32 -2.00 -0.54 0.00 0.00 175.26 172.87 3hqd s GLU 254 N 1.65 3.61 -0.11 4.30 2.12 -1.26 -0.26 118.70 128.75 3hqd s GLU 254 Ca 0.33 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.24 3hqd s GLU 254 Cb -0.16 -3.78 -0.02 0.00 0.26 0.00 0.00 34.13 30.42 3hqd s GLU 254 CO 0.13 -0.47 -0.11 -0.48 -0.54 0.00 0.00 175.26 173.79 3hqd s LEU 255 N 1.94 2.89 -0.21 2.70 0.05 0.01 -4.97 118.68 121.09 3hqd s LEU 255 Ca 0.10 -0.21 -0.02 0.00 0.05 0.00 0.00 54.13 54.06 3hqd s LEU 255 Cb -0.17 -1.64 0.01 0.00 -2.05 0.00 0.00 46.19 42.34 3hqd s LEU 255 CO 0.11 0.24 -0.11 -0.69 -0.55 0.00 0.00 176.35 175.35 3hqd s VAL 256 N -0.09 2.78 0.13 1.48 1.01 -1.26 -1.70 120.40 122.74 3hqd s VAL 256 Ca -0.01 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3hqd s VAL 256 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3hqd s VAL 256 CO 0.03 0.46 -0.13 -1.59 0.00 0.00 0.00 175.10 173.87 3hqd s LYS 257 N 1.39 1.02 -0.10 2.72 -2.85 -0.02 -5.01 119.74 116.89 3hqd s LYS 257 Ca 0.05 -1.28 0.02 0.00 -1.00 0.00 0.00 55.97 53.76 3hqd s LYS 257 Cb -0.14 -0.82 0.01 0.00 -2.06 0.00 0.00 37.83 34.83 3hqd s LYS 257 CO -0.08 0.15 -0.14 0.42 0.10 0.00 0.00 175.35 175.80 3hqd s ILE 258 N -2.40 1.40 0.09 3.79 1.01 -1.26 -0.72 121.20 123.12 3hqd s ILE 258 Ca 0.10 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.22 3hqd s ILE 258 Cb -0.03 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3hqd s ILE 258 CO 0.02 0.42 -0.07 -0.83 0.00 0.00 0.00 174.94 174.48 3hqd s GLY 259 N 0.92 1.82 -0.07 6.18 0.00 0.04 -4.21 107.32 112.00 3hqd s GLY 259 Ca -0.08 -1.19 -0.06 0.00 0.00 0.00 0.00 44.72 43.38 3hqd s GLY 259 CO -0.00 -1.16 0.19 1.25 0.00 0.00 0.00 173.10 173.38 3hqd s LYS 260 N -2.16 0.21 -0.10 2.90 2.20 -1.00 -0.02 119.74 121.76 3hqd s LYS 260 Ca 0.22 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 56.14 3hqd s LYS 260 Cb -0.11 0.06 0.02 0.00 -1.51 0.00 0.00 37.83 36.29 3hqd s LYS 260 CO 0.14 -0.05 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.80 3hqd s LEU 261 N 0.31 1.49 -0.27 5.43 2.96 -0.14 0.12 118.68 128.58 3hqd s LEU 261 Ca -0.02 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3hqd s LEU 261 Cb -0.03 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 3hqd s LEU 261 CO -0.01 -0.04 0.07 0.20 -1.32 0.00 0.00 176.35 175.25 3hqd s ASN 262 N 1.22 5.06 -0.37 3.68 0.02 0.70 -0.97 114.94 124.27 3hqd s ASN 262 Ca -0.03 -0.49 -0.09 0.00 -1.02 0.00 0.00 52.86 51.23 3hqd s ASN 262 Cb -0.14 -1.89 0.05 0.00 0.02 0.00 0.00 41.25 39.29 3hqd s ASN 262 CO -0.04 -0.12 0.18 -0.76 0.02 0.00 0.00 177.10 176.39 3hqd s LEU 263 N 1.54 4.70 -0.19 0.60 1.43 0.40 -0.88 118.68 126.30 3hqd s LEU 263 Ca 0.04 -1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 51.89 3hqd s LEU 263 Cb -0.16 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3hqd s LEU 263 CO 0.02 -0.41 -0.04 -0.69 0.23 0.00 0.00 176.35 175.47 3hqd s VAL 264 N 1.45 3.66 -0.56 -1.59 1.01 0.68 -1.51 120.40 123.54 3hqd s VAL 264 Ca 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3hqd s VAL 264 Cb -0.20 -2.63 0.15 0.00 0.00 0.00 0.00 36.38 33.69 3hqd s VAL 264 CO 0.04 0.45 0.40 -0.62 0.00 0.00 0.00 175.10 175.37 3hqd s ASP 265 N 0.92 5.56 0.67 3.32 3.68 0.02 -1.30 116.67 129.54 3hqd s ASP 265 Ca -0.00 -2.39 -0.13 0.00 2.13 0.00 0.00 52.55 52.16 3hqd s ASP 265 Cb -0.15 -1.94 0.00 0.00 -1.45 0.00 0.00 42.92 39.39 3hqd s ASP 265 CO 0.01 -0.53 1.07 -0.76 0.13 0.00 0.00 175.17 175.10 3hqd s LEU 266 N 0.63 3.26 0.85 -1.34 1.43 -1.19 -0.19 118.68 122.13 3hqd s LEU 266 Ca 0.12 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 3hqd s LEU 266 Cb -0.21 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.59 3hqd s LEU 266 CO -0.03 -1.50 1.16 0.00 0.23 0.00 0.00 176.35 176.20 3hqd s ALA 267 N -2.74 2.26 0.19 4.21 0.00 -1.24 -4.86 121.76 119.58 3hqd s ALA 267 Ca 0.61 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.10 3hqd s ALA 267 Cb -0.16 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3hqd s ALA 267 CO 0.48 -1.93 -0.19 0.20 0.00 0.00 0.00 175.76 174.32 3hqd s GLY 268 N -4.31 1.52 0.14 0.00 0.00 -1.26 -4.74 107.32 98.66 3hqd s GLY 268 Ca 0.63 -1.59 -0.34 0.00 0.00 0.00 0.00 44.72 43.41 3hqd s GLY 268 CO 0.51 -1.65 1.20 -1.26 0.00 0.00 0.00 173.10 171.90 3hqd n SER 269 N 0.07 1.33 -3.71 1.64 2.88 -1.21 -4.28 113.62 110.34 3hqd n SER 269 Ca -0.11 1.14 -0.18 0.00 -1.33 0.00 0.00 58.87 58.38 3hqd n SER 269 Cb 0.58 -1.19 -0.17 0.00 -0.75 0.00 0.00 64.21 62.67 3hqd n SER 269 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3hqd s GLU 270 N -0.12 -0.04 -0.46 -1.46 2.12 -1.26 -1.50 118.70 115.98 3hqd s GLU 270 Ca 0.77 0.30 -0.21 0.00 0.36 0.00 0.00 54.97 56.19 3hqd s GLU 270 Cb -0.90 -0.43 0.03 0.00 0.26 0.00 0.00 34.13 33.09 3hqd s GLU 270 CO 0.51 -0.27 0.70 1.21 -0.54 0.00 0.00 175.26 176.87 3hqd s ASN 271 N 1.75 6.33 0.47 -1.70 3.84 -1.26 -4.91 114.94 119.46 3hqd s ASN 271 Ca -0.00 -0.36 0.32 0.00 0.21 0.00 0.00 52.86 53.02 3hqd s ASN 271 Cb -0.12 -2.34 1.50 0.00 -0.55 0.00 0.00 41.25 39.73 3hqd s ASN 271 CO -0.03 -0.87 1.96 0.16 -2.79 0.00 0.00 177.10 175.53 3hqd h ILE 272 N 5.91 0.00 -0.45 -5.21 3.07 -1.95 0.18 117.51 119.06 3hqd h ILE 272 Ca -0.26 -0.23 -0.06 0.00 1.55 0.00 0.00 64.86 65.87 3hqd h ILE 272 Cb 1.09 1.07 -0.02 0.00 -0.27 0.00 0.00 36.82 38.69 3hqd h ILE 272 CO 0.94 0.00 0.04 1.23 -1.05 0.00 0.00 178.15 179.30 3hqd h GLY 273 N 1.24 0.77 0.57 0.16 0.00 -1.94 0.26 103.07 104.13 3hqd h GLY 273 Ca 0.00 -0.47 -0.36 0.00 0.00 0.00 0.00 47.33 46.50 3hqd h GLY 273 CO 0.00 0.44 -1.98 0.54 0.00 0.00 0.00 176.54 175.54 3hqd n ARG 274 N -4.25 0.75 0.20 4.80 1.74 -0.28 -4.09 116.66 115.53 3hqd n ARG 274 Ca 0.03 0.27 0.14 0.00 -0.77 0.00 0.00 57.85 57.52 3hqd n ARG 274 Cb 0.26 -1.71 0.52 0.00 -1.02 0.00 0.00 32.46 30.52 3hqd n ARG 274 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hqd h SER 275 N 0.02 0.00 -0.35 0.55 4.64 -0.70 -3.41 113.55 114.30 3hqd h SER 275 Ca -0.43 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.74 3hqd h SER 275 Cb 2.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 64.03 3hqd h SER 275 CO 0.07 0.00 -0.14 0.61 -0.87 0.00 0.00 176.83 176.50 3hqd n GLY 276 N 0.31 0.81 3.65 -0.77 0.00 0.89 -2.02 105.19 108.05 3hqd n GLY 276 Ca 0.02 -0.12 -0.48 0.00 0.00 0.00 0.00 46.02 45.43 3hqd n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqd n ALA 277 N 1.14 0.60 -2.63 4.61 0.00 -1.22 -4.96 120.51 118.04 3hqd n ALA 277 Ca -0.07 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 3hqd n ALA 277 Cb 0.44 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 3hqd n ALA 277 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hqd s VAL 278 N 1.07 3.39 0.00 0.00 1.01 -1.26 -4.31 120.40 120.30 3hqd s VAL 278 Ca 0.82 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.89 3hqd s VAL 278 Cb -0.77 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3hqd s VAL 278 CO 0.42 -0.35 0.00 -0.90 0.00 0.00 0.00 175.10 174.27 3hqd n ASP 279 N -0.80 0.00 -0.16 3.32 5.68 -1.26 0.33 116.55 123.67 3hqd n ASP 279 Ca -0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.19 3hqd n ASP 279 Cb 0.59 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.60 3hqd n ASP 279 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3hqd h LYS 280 N 0.00 -0.03 -0.63 0.11 3.64 -1.99 0.71 116.57 118.39 3hqd h LYS 280 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3hqd h LYS 280 Cb 0.00 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3hqd h LYS 280 CO 0.00 -0.02 0.25 0.00 -2.27 0.00 0.00 179.45 177.41 3hqd h ARG 281 N -0.03 0.91 -0.18 1.90 2.47 -0.48 -1.62 114.38 117.34 3hqd h ARG 281 Ca 0.24 -0.14 -0.13 0.00 -1.26 0.00 0.00 59.98 58.68 3hqd h ARG 281 Cb 0.39 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3hqd h ARG 281 CO -0.52 0.75 -0.44 0.00 0.56 0.00 0.00 179.97 180.32 3hqd h ALA 282 N 1.38 0.90 -0.58 0.04 0.00 0.10 -1.07 119.26 120.03 3hqd h ALA 282 Ca 0.21 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3hqd h ALA 282 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hqd h ALA 282 CO -0.02 0.64 0.11 -0.09 0.00 0.00 0.00 179.25 179.89 3hqd h ARG 283 N 0.36 0.95 -0.21 0.00 2.43 0.89 -0.26 114.38 118.54 3hqd h ARG 283 Ca 0.03 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3hqd h ARG 283 Cb 0.92 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3hqd h ARG 283 CO 0.08 0.90 0.07 0.93 -1.51 0.00 0.00 179.97 180.43 3hqd h GLU 284 N 0.85 0.33 -0.86 0.20 5.08 -1.08 -2.37 114.58 116.73 3hqd h GLU 284 Ca 0.18 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3hqd h GLU 284 Cb 0.40 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3hqd h GLU 284 CO 0.01 0.42 0.57 0.00 -1.00 0.00 0.00 179.01 179.01 3hqd h ALA 285 N 0.89 1.45 -0.11 3.43 0.00 -0.94 0.28 119.26 124.26 3hqd h ALA 285 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hqd h ALA 285 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hqd h ALA 285 CO -0.00 0.47 0.07 0.78 0.00 0.00 0.00 179.25 180.56 3hqd h GLY 286 N 1.09 0.15 1.00 0.00 0.00 -0.76 0.28 103.07 104.83 3hqd h GLY 286 Ca 0.34 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 3hqd h GLY 286 CO -0.10 0.05 -0.01 3.43 0.00 0.00 0.00 176.54 179.91 3hqd h ASN 287 N 0.14 0.84 0.37 0.19 2.35 -0.88 -0.81 115.58 117.78 3hqd h ASN 287 Ca 0.04 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 3hqd h ASN 287 Cb -0.01 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 3hqd h ASN 287 CO -0.02 0.95 -0.22 0.40 -1.65 0.00 0.00 177.43 176.90 3hqd h ILE 288 N 0.71 0.55 -0.62 2.81 2.04 -0.19 0.53 117.51 123.34 3hqd h ILE 288 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 3hqd h ILE 288 Cb 0.52 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3hqd h ILE 288 CO 0.03 0.00 0.32 0.78 0.00 0.00 0.00 178.15 179.27 3hqd h ASN 289 N -0.56 0.77 -0.32 1.72 2.35 -0.38 -0.93 115.58 118.23 3hqd h ASN 289 Ca -0.04 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.50 3hqd h ASN 289 Cb 0.45 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3hqd h ASN 289 CO 0.05 0.64 -0.35 -0.61 -1.65 0.00 0.00 177.43 175.51 3hqd h GLN 290 N 0.87 0.81 -0.65 0.81 5.75 -0.94 -0.75 115.11 121.01 3hqd h GLN 290 Ca 0.22 -0.44 -0.09 0.00 -0.15 0.00 0.00 58.65 58.19 3hqd h GLN 290 Cb 0.06 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3hqd h GLN 290 CO -0.03 1.07 0.05 0.66 -2.65 0.00 0.00 178.83 177.93 3hqd h SER 291 N 0.58 1.07 0.18 -0.69 4.64 -0.50 -0.46 113.55 118.37 3hqd h SER 291 Ca 0.05 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 60.97 3hqd h SER 291 Cb 0.94 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3hqd h SER 291 CO 0.09 1.09 -0.42 -0.07 -0.87 0.00 0.00 176.83 176.64 3hqd h LEU 292 N 1.02 0.33 -0.20 5.97 3.38 -1.12 -1.19 115.31 123.50 3hqd h LEU 292 Ca 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hqd h LEU 292 Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hqd h LEU 292 CO 0.02 0.72 0.05 0.25 0.09 0.00 0.00 178.44 179.57 3hqd h LEU 293 N 0.26 0.29 -1.60 1.67 6.46 -0.76 0.04 115.31 121.67 3hqd h LEU 293 Ca 0.02 -0.22 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 3hqd h LEU 293 Cb 0.86 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 3hqd h LEU 293 CO 0.07 0.44 0.36 0.74 -0.62 0.00 0.00 178.44 179.43 3hqd h THR 294 N 0.14 0.98 -0.51 1.05 2.02 -0.75 0.86 112.91 116.70 3hqd h THR 294 Ca 0.06 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 3hqd h THR 294 Cb 0.25 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3hqd h THR 294 CO -0.00 0.09 -0.16 0.25 0.37 0.00 0.00 175.52 176.07 3hqd h LEU 295 N 0.50 1.02 -0.90 2.58 5.85 -0.48 -1.57 115.31 122.32 3hqd h LEU 295 Ca 0.24 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 3hqd h LEU 295 Cb 0.30 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3hqd h LEU 295 CO -0.07 1.16 0.08 1.23 -0.34 0.00 0.00 178.44 180.50 3hqd h GLY 296 N 0.88 0.96 1.51 3.75 0.00 0.10 -1.58 103.07 108.69 3hqd h GLY 296 Ca 0.13 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 3hqd h GLY 296 CO 0.06 0.57 -0.40 3.21 0.00 0.00 0.00 176.54 179.98 3hqd h ARG 297 N 0.85 0.54 -0.15 4.80 3.08 -0.85 -0.26 114.38 122.38 3hqd h ARG 297 Ca 0.17 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3hqd h ARG 297 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3hqd h ARG 297 CO 0.01 0.85 0.04 0.28 -1.07 0.00 0.00 179.97 180.08 3hqd h VAL 298 N 0.45 1.19 0.19 2.04 2.07 -0.98 0.11 116.25 121.31 3hqd h VAL 298 Ca 0.04 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3hqd h VAL 298 Cb 0.89 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3hqd h VAL 298 CO 0.08 0.18 -0.20 0.40 0.02 0.00 0.00 177.57 178.05 3hqd h ILE 299 N 0.06 0.57 -0.90 4.57 2.04 -1.13 -1.18 117.51 121.54 3hqd h ILE 299 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3hqd h ILE 299 Cb 0.24 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3hqd h ILE 299 CO -0.00 0.00 0.60 0.74 0.00 0.00 0.00 178.15 179.48 3hqd h THR 300 N -0.42 1.19 -0.63 -0.27 2.02 -0.95 -1.36 112.91 112.48 3hqd h THR 300 Ca 0.00 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3hqd h THR 300 Cb 0.40 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3hqd h THR 300 CO -0.05 0.21 0.17 0.00 0.37 0.00 0.00 175.52 176.22 3hqd h ALA 301 N 1.46 1.10 -0.24 6.16 0.00 -0.37 -0.93 119.26 126.45 3hqd h ALA 301 Ca 0.34 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3hqd h ALA 301 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3hqd h ALA 301 CO -0.09 0.60 -0.53 -0.07 0.00 0.00 0.00 179.25 179.16 3hqd h LEU 302 N 0.94 0.88 -0.89 0.00 3.38 -0.48 -1.28 115.31 117.86 3hqd h LEU 302 Ca 0.20 -0.55 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 3hqd h LEU 302 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hqd h LEU 302 CO -0.00 1.27 -0.39 0.58 0.09 0.00 0.00 178.44 179.99 3hqd h VAL 303 N 0.52 1.30 -0.01 1.22 2.07 -1.11 -2.65 116.25 117.60 3hqd h VAL 303 Ca 0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3hqd h VAL 303 Cb 1.14 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3hqd h VAL 303 CO 0.12 0.46 0.00 -0.62 0.02 0.00 0.00 177.57 177.54 3hqd n GLU 304 N -4.04 1.32 -2.49 1.57 -0.58 -0.37 -4.91 120.64 111.15 3hqd n GLU 304 Ca -0.01 -0.47 -0.21 0.00 -0.42 0.00 0.00 57.16 56.05 3hqd n GLU 304 Cb 0.48 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3hqd n GLU 304 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hqd n ARG 305 N -0.43 -2.15 -1.83 3.49 5.12 -0.95 -4.93 116.66 114.98 3hqd n ARG 305 Ca 0.21 0.97 -0.38 0.00 -1.93 0.00 0.00 57.85 56.72 3hqd n ARG 305 Cb 0.23 -5.66 0.04 0.00 -1.16 0.00 0.00 32.46 25.90 3hqd n ARG 305 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3hqd s THR 306 N -3.04 2.18 0.34 0.55 2.01 -0.52 -4.92 115.64 112.24 3hqd s THR 306 Ca 0.04 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.21 3hqd s THR 306 Cb -0.02 -3.07 0.29 0.00 0.01 0.00 0.00 72.50 69.71 3hqd s THR 306 CO 0.05 -0.00 1.94 -0.65 -0.69 0.00 0.00 174.62 175.27 3hqd h PRO 307 N 1.47 0.82 -6.61 4.92 0.11 -1.92 -3.42 132.00 127.37 3hqd h PRO 307 Ca -0.51 -0.05 -0.70 0.00 0.11 0.00 0.00 66.00 64.85 3hqd h PRO 307 Cb 1.30 -0.19 -0.30 0.00 0.11 0.00 0.00 31.00 31.92 3hqd h PRO 307 CO 0.57 0.54 -0.89 -1.01 -0.21 0.00 0.00 178.00 177.01 3hqd s HIS 308 N -5.75 2.33 -0.20 0.65 3.76 -1.26 -5.11 115.29 109.71 3hqd s HIS 308 Ca -0.10 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 3hqd s HIS 308 Cb 0.19 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.41 3hqd s HIS 308 CO 0.78 -0.04 -0.16 0.08 -0.85 0.00 0.00 174.74 174.55 3hqd s VAL 309 N -0.61 2.30 0.00 -0.90 1.01 -1.26 -4.90 120.40 116.03 3hqd s VAL 309 Ca 0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3hqd s VAL 309 Cb -0.10 -2.03 -0.20 0.00 0.00 0.00 0.00 36.38 34.05 3hqd s VAL 309 CO -0.01 0.45 2.84 -0.81 0.00 0.00 0.00 175.10 177.56 3hqd n PRO 310 N 4.63 1.50 0.00 2.72 -0.04 -1.26 -4.62 135.00 137.93 3hqd n PRO 310 Ca -0.20 -0.73 -0.10 0.00 -0.04 0.00 0.00 63.50 62.44 3hqd n PRO 310 Cb 0.49 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 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 -0.27 0.00 0.54 0.05 -1.92 -2.77 116.97 116.21 3hqd h TYR 311 Ca 0.14 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.94 3hqd h TYR 311 Cb 1.15 0.14 0.00 0.00 1.01 0.00 0.00 36.73 39.02 3hqd h TYR 311 CO 1.55 -0.16 0.02 0.54 -1.05 0.00 0.00 178.16 179.05 3hqd n ARG 312 N -5.25 0.08 0.00 4.88 5.12 -1.26 -2.95 116.66 117.28 3hqd n ARG 312 Ca -0.03 0.57 0.10 0.00 -1.93 0.00 0.00 57.85 56.56 3hqd n ARG 312 Cb 0.17 -1.78 0.58 0.00 -1.16 0.00 0.00 32.46 30.27 3hqd n ARG 312 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hqd n GLU 313 N -1.93 0.53 -3.60 5.56 1.02 -1.04 -4.74 120.64 116.43 3hqd n GLU 313 Ca -0.01 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 57.01 3hqd n GLU 313 Cb 0.04 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.89 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 -2.19 -0.65 0.47 1.62 0.15 -1.15 -5.01 113.70 106.93 3hqd s SER 314 Ca 0.27 1.00 0.14 0.00 0.70 0.00 0.00 55.95 58.05 3hqd s SER 314 Cb 0.14 0.94 1.07 0.00 -1.71 0.00 0.00 66.02 66.46 3hqd s SER 314 CO 0.26 -0.41 2.06 0.11 1.20 0.00 0.00 173.24 176.45 3hqd h LYS 315 N 4.10 0.09 0.05 5.44 1.79 -1.85 -2.16 116.57 124.02 3hqd h LYS 315 Ca -0.28 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3hqd h LYS 315 Cb 1.15 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3hqd h LYS 315 CO 0.24 0.15 -0.02 1.25 -1.08 0.00 0.00 179.45 179.99 3hqd h LEU 316 N 0.09 -0.05 -0.52 2.94 5.85 -1.94 -1.65 115.31 120.03 3hqd h LEU 316 Ca 0.02 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hqd h LEU 316 Cb 0.15 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3hqd h LEU 316 CO 0.01 0.03 0.00 0.71 -0.34 0.00 0.00 178.44 178.84 3hqd h THR 317 N -0.13 0.00 -0.05 1.05 1.35 -1.68 -0.15 112.91 113.29 3hqd h THR 317 Ca -0.01 -0.66 -0.09 0.00 -0.55 0.00 0.00 66.41 65.11 3hqd h THR 317 Cb 0.11 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3hqd h THR 317 CO 0.01 0.00 -0.30 0.03 -0.25 0.00 0.00 175.52 175.01 3hqd h ARG 318 N 0.00 0.30 -0.71 4.72 3.08 -1.20 0.88 114.38 121.46 3hqd h ARG 318 Ca 0.00 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 3hqd h ARG 318 Cb 0.73 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3hqd h ARG 318 CO 0.00 0.90 0.27 0.82 -1.07 0.00 0.00 179.97 180.89 3hqd h ILE 319 N -0.22 1.25 -0.15 2.04 2.04 -1.16 -2.60 117.51 118.71 3hqd h ILE 319 Ca -0.02 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3hqd h ILE 319 Cb 0.96 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3hqd h ILE 319 CO 0.06 0.32 0.00 0.18 0.00 0.00 0.00 178.15 178.71 3hqd n LEU 320 N -4.35 1.28 -0.05 1.44 4.77 -0.08 -4.52 117.00 115.49 3hqd n LEU 320 Ca 0.06 -0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 55.39 3hqd n LEU 320 Cb 0.19 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3hqd n LEU 320 CO 0.40 0.28 0.66 -0.61 -1.33 0.00 0.00 177.39 176.79 3hqd h GLN 321 N 1.66 -0.29 0.00 3.23 4.15 -0.40 -0.98 115.11 122.48 3hqd h GLN 321 Ca 0.00 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 3hqd h GLN 321 Cb 0.37 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3hqd h GLN 321 CO 0.00 -0.19 -0.27 0.22 -1.93 0.00 0.00 178.83 176.65 3hqd h ASP 322 N -0.30 0.00 1.04 -0.69 3.58 -1.82 -2.17 116.42 116.06 3hqd h ASP 322 Ca 0.13 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3hqd h ASP 322 Cb 0.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 3hqd h ASP 322 CO -0.42 0.27 -0.06 0.28 -2.88 0.00 0.00 179.24 176.44 3hqd h SER 323 N 0.00 0.00 -3.71 2.28 0.02 -1.52 -1.89 113.55 108.74 3hqd h SER 323 Ca -0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.28 3hqd h SER 323 Cb 0.57 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.73 3hqd h SER 323 CO 0.04 0.06 -0.42 -0.76 -1.14 0.00 0.00 176.83 174.60 3hqd s LEU 324 N -6.35 4.97 0.00 5.07 1.43 -0.60 -4.62 118.68 118.59 3hqd s LEU 324 Ca 0.01 -3.40 0.00 0.00 -1.03 0.00 0.00 54.13 49.71 3hqd s LEU 324 Cb 0.09 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.56 3hqd s LEU 324 CO 0.57 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.56 3hqd n GLY 325 N 2.67 0.79 0.00 -3.19 0.00 -1.26 -4.91 105.19 99.29 3hqd n GLY 325 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.06 3.30 2.09 -0.02 0.00 -0.71 -4.70 105.19 103.09 3hqd n GLY 326 Ca 0.00 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 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 2.21 -5.14 1.61 1.74 -1.20 0.03 116.66 115.92 3hqd n ARG 327 Ca 0.00 -2.54 -0.30 0.00 -0.77 0.00 0.00 57.85 54.23 3hqd n ARG 327 Cb 0.00 -2.00 -0.15 0.00 -1.02 0.00 0.00 32.46 29.29 3hqd n ARG 327 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hqd s THR 328 N -3.39 2.06 -0.33 0.55 2.01 -1.22 -3.77 115.64 111.55 3hqd s THR 328 Ca 0.49 -1.20 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 3hqd s THR 328 Cb 0.40 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 71.19 3hqd s THR 328 CO 0.03 0.49 0.94 -0.60 -0.69 0.00 0.00 174.62 174.79 3hqd s ARG 329 N -0.84 3.97 -0.03 4.92 6.06 0.86 -4.55 118.95 129.34 3hqd s ARG 329 Ca 0.10 0.77 0.07 0.00 -2.50 0.00 0.00 55.73 54.17 3hqd s ARG 329 Cb -0.10 -3.75 -0.02 0.00 0.06 0.00 0.00 34.95 31.14 3hqd s ARG 329 CO 0.00 -0.85 -0.23 0.99 -2.50 0.00 0.00 175.30 172.71 3hqd s THR 330 N 3.38 2.29 -0.04 4.11 2.01 -1.26 -0.89 115.64 125.24 3hqd s THR 330 Ca 0.39 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.42 3hqd s THR 330 Cb -0.13 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 3hqd s THR 330 CO 0.15 0.58 -0.15 -0.44 -0.69 0.00 0.00 174.62 174.08 3hqd s SER 331 N -0.57 1.88 -0.10 3.53 0.01 0.23 -1.58 113.70 117.09 3hqd s SER 331 Ca 0.08 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.05 3hqd s SER 331 Cb -0.11 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 3hqd s SER 331 CO -0.00 0.13 -0.13 -0.63 0.41 0.00 0.00 173.24 173.02 3hqd s ILE 332 N 0.05 3.11 -0.37 1.44 1.01 0.18 -2.09 121.20 124.53 3hqd s ILE 332 Ca -0.03 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3hqd s ILE 332 Cb -0.10 -2.28 0.08 0.00 0.01 0.00 0.00 42.46 40.16 3hqd s ILE 332 CO 0.01 0.55 0.15 -0.63 0.00 0.00 0.00 174.94 175.02 3hqd s ILE 333 N -0.04 3.51 -0.21 2.92 1.01 -0.55 -0.55 121.20 127.29 3hqd s ILE 333 Ca -0.03 -1.58 -0.20 0.00 0.00 0.00 0.00 60.65 58.84 3hqd s ILE 333 Cb -0.14 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 3hqd s ILE 333 CO 0.04 -0.42 0.59 0.00 0.00 0.00 0.00 174.94 175.15 3hqd s ALA 334 N 1.28 3.56 -0.17 9.38 0.00 0.56 -0.59 121.76 135.78 3hqd s ALA 334 Ca 0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 3hqd s ALA 334 Cb -0.22 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 3hqd s ALA 334 CO -0.01 -0.60 0.07 0.95 0.00 0.00 0.00 175.76 176.17 3hqd s THR 335 N 2.00 4.84 0.11 0.00 -4.23 0.02 -0.30 115.64 118.07 3hqd s THR 335 Ca 0.26 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 3hqd s THR 335 Cb -0.16 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 3hqd s THR 335 CO 0.10 0.49 -0.08 0.27 -0.54 0.00 0.00 174.62 174.86 3hqd s ILE 336 N 0.11 0.80 0.04 2.99 -4.36 -0.77 -4.09 121.20 115.91 3hqd s ILE 336 Ca 0.05 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 58.52 3hqd s ILE 336 Cb -0.12 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 3hqd s ILE 336 CO 0.01 -0.81 0.21 -0.55 0.24 0.00 0.00 174.94 174.03 3hqd s SER 337 N -2.98 6.37 0.00 4.36 0.15 -1.26 -2.29 113.70 118.04 3hqd s SER 337 Ca 0.12 0.31 0.27 0.00 0.70 0.00 0.00 55.95 57.34 3hqd s SER 337 Cb 0.04 -1.98 0.79 0.00 -1.71 0.00 0.00 66.02 63.15 3hqd s SER 337 CO -0.03 0.20 1.60 -0.81 1.20 0.00 0.00 173.24 175.40 3hqd n PRO 338 N 0.53 0.13 -2.13 5.44 -0.04 -1.26 -4.91 135.00 132.76 3hqd n PRO 338 Ca -0.07 -0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 62.92 3hqd n PRO 338 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.91 3.50 0.59 0.55 0.00 -1.26 -1.64 121.76 120.59 3hqd s ALA 339 Ca 0.15 1.25 0.41 0.00 0.00 0.00 0.00 51.96 53.76 3hqd s ALA 339 Cb 0.18 -3.47 2.23 0.00 0.00 0.00 0.00 23.12 22.05 3hqd s ALA 339 CO 0.62 -0.62 2.31 0.66 0.00 0.00 0.00 175.76 178.73 3hqd h SER 340 N 3.48 0.00 0.21 0.00 4.64 -0.70 -1.39 113.55 119.78 3hqd h SER 340 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 3hqd h SER 340 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3hqd h SER 340 CO 0.66 0.01 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.48 3hqd h LEU 341 N 0.00 0.00 -3.95 5.97 3.38 -1.91 -3.20 115.31 115.60 3hqd h LEU 341 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3hqd h LEU 341 Cb 0.06 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.43 3hqd h LEU 341 CO 0.00 0.08 -0.27 0.59 0.09 0.00 0.00 178.44 178.93 3hqd n ASN 342 N -3.78 5.78 0.38 -0.43 3.02 -0.52 -4.83 115.26 114.88 3hqd n ASN 342 Ca -0.02 -3.76 -0.19 0.00 -0.03 0.00 0.00 54.58 50.58 3hqd n ASN 342 Cb 0.18 -0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.70 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 2.21 -1.08 -0.51 3.41 5.85 -1.72 0.47 115.31 123.94 3hqd h LEU 343 Ca 0.44 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.25 3hqd h LEU 343 Cb 1.21 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 3hqd h LEU 343 CO 1.03 -0.66 0.28 -0.33 -0.34 0.00 0.00 178.44 178.41 3hqd h GLU 344 N -1.06 0.53 -0.69 1.25 4.39 -1.91 -0.09 114.58 117.01 3hqd h GLU 344 Ca -0.09 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 3hqd h GLU 344 Cb 0.85 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 3hqd h GLU 344 CO 0.09 0.35 0.14 0.93 -1.16 0.00 0.00 179.01 179.36 3hqd h GLU 345 N 0.55 1.12 -0.28 2.33 3.07 -1.91 -0.69 114.58 118.77 3hqd h GLU 345 Ca 0.21 -0.28 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 3hqd h GLU 345 Cb 0.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3hqd h GLU 345 CO -0.13 1.01 0.01 1.15 -1.40 0.00 0.00 179.01 179.65 3hqd h THR 346 N 1.05 1.25 -0.83 1.13 2.02 -0.52 -1.36 112.91 115.65 3hqd h THR 346 Ca 0.21 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 3hqd h THR 346 Cb 0.41 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3hqd h THR 346 CO 0.01 0.29 0.43 -0.07 0.37 0.00 0.00 175.52 176.54 3hqd h LEU 347 N 0.29 1.07 -0.43 2.58 3.38 -0.88 -0.61 115.31 120.71 3hqd h LEU 347 Ca 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hqd h LEU 347 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3hqd h LEU 347 CO 0.01 0.88 0.27 -1.28 0.09 0.00 0.00 178.44 178.42 3hqd h SER 348 N 1.17 0.50 -0.08 -0.43 0.87 -0.93 0.24 113.55 114.90 3hqd h SER 348 Ca 0.29 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3hqd h SER 348 Cb 0.08 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3hqd h SER 348 CO -0.04 0.39 0.04 0.74 -0.53 0.00 0.00 176.83 177.43 3hqd h THR 349 N 0.57 1.10 -0.67 2.23 2.02 -0.90 -2.44 112.91 114.83 3hqd h THR 349 Ca 0.16 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 3hqd h THR 349 Cb -0.04 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3hqd h THR 349 CO -0.03 0.09 0.15 -0.07 0.37 0.00 0.00 175.52 176.03 3hqd h LEU 350 N 0.02 1.02 0.18 2.58 3.38 -0.90 -0.92 115.31 120.66 3hqd h LEU 350 Ca 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3hqd h LEU 350 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hqd h LEU 350 CO -0.00 0.98 -0.09 -0.08 0.09 0.00 0.00 178.44 179.34 3hqd h GLU 351 N 1.02 -0.23 -0.27 1.13 4.57 -0.43 0.16 114.58 120.53 3hqd h GLU 351 Ca 0.21 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.29 3hqd h GLU 351 Cb 0.37 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3hqd h GLU 351 CO 0.00 -0.07 -0.32 1.88 -1.18 0.00 0.00 179.01 179.32 3hqd h TYR 352 N -0.34 0.67 -0.41 0.92 0.05 -1.42 -1.31 116.97 115.13 3hqd h TYR 352 Ca -0.02 -0.17 -0.08 0.00 0.05 0.00 0.00 58.73 58.51 3hqd h TYR 352 Cb 0.26 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3hqd h TYR 352 CO -0.04 0.83 -0.07 0.00 -1.05 0.00 0.00 178.16 177.84 3hqd h ALA 353 N 1.16 1.12 -0.36 3.88 0.00 -1.05 -1.29 119.26 122.72 3hqd h ALA 353 Ca 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3hqd h ALA 353 Cb 0.80 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hqd h ALA 353 CO 0.07 0.56 -0.09 1.25 0.00 0.00 0.00 179.25 181.03 3hqd h HIS 354 N 0.65 0.78 -0.94 0.00 -0.00 -0.25 -2.74 115.15 112.66 3hqd h HIS 354 Ca 0.12 -0.17 0.03 0.00 -0.00 0.00 0.00 60.37 60.35 3hqd h HIS 354 Cb 0.50 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.67 3hqd h HIS 354 CO 0.02 0.85 0.62 0.00 -0.00 0.00 0.00 177.93 179.42 3hqd h ARG 355 N 0.49 1.18 -0.16 5.26 3.08 -0.96 -1.85 114.38 121.42 3hqd h ARG 355 Ca 0.09 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.12 3hqd h ARG 355 Cb 0.60 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3hqd h ARG 355 CO 0.04 0.78 0.13 0.00 -1.07 0.00 0.00 179.97 179.85 3hqd h ALA 356 N 1.44 2.01 -0.30 0.04 0.00 -0.93 -1.42 119.26 120.09 3hqd h ALA 356 Ca 0.36 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.31 3hqd h ALA 356 Cb -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hqd h ALA 356 CO -0.10 -0.22 0.20 0.87 0.00 0.00 0.00 179.25 180.01 3hqd h LYS 357 N 0.00 0.22 -0.00 0.00 1.57 -1.24 -1.94 116.57 115.19 3hqd h LYS 357 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hqd h LYS 357 Cb 0.34 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hqd h LYS 357 CO -0.00 0.15 -0.02 0.09 -0.57 0.00 0.00 179.45 179.10 3hqd n ASN 358 N -4.49 0.08 -4.70 0.86 3.02 -0.54 -4.14 115.26 105.36 3hqd n ASN 358 Ca 0.03 -0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 3hqd n ASN 358 Cb 0.21 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -2.39 4.48 -0.21 2.41 1.01 -0.73 -4.88 121.20 120.89 3hqd s ILE 359 Ca 0.34 1.78 -0.13 0.00 0.00 0.00 0.00 60.65 62.64 3hqd s ILE 359 Cb 0.21 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3hqd s ILE 359 CO 0.44 0.07 0.25 -0.22 0.00 0.00 0.00 174.94 175.47 3hqd s LEU 360 N 1.56 4.15 0.28 2.97 2.96 -1.26 -1.62 118.68 127.72 3hqd s LEU 360 Ca 0.54 0.30 0.08 0.00 -0.22 0.00 0.00 54.13 54.83 3hqd s LEU 360 Cb -0.23 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 3hqd s LEU 360 CO 0.25 0.04 0.13 0.20 -1.32 0.00 0.00 176.35 175.64 3hqd s ASN 361 N 0.91 5.02 -0.59 3.68 -0.87 0.29 -4.40 114.94 118.98 3hqd s ASN 361 Ca 0.12 -0.50 0.06 0.00 -1.57 0.00 0.00 52.86 50.98 3hqd s ASN 361 Cb -0.14 -1.05 0.26 0.00 -0.02 0.00 0.00 41.25 40.30 3hqd s ASN 361 CO 0.05 -0.10 0.73 0.29 -2.57 0.00 0.00 177.10 175.50 3hqd n LYS 362 N -1.10 2.30 -1.69 -0.60 4.76 0.10 -4.13 118.16 117.81 3hqd n LYS 362 Ca -0.06 -4.45 -0.39 0.00 -2.87 0.00 0.00 58.31 50.54 3hqd n LYS 362 Cb 0.59 -2.09 0.04 0.00 -1.84 0.00 0.00 35.03 31.73 3hqd n LYS 362 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3hqd n PRO 363 N 0.82 1.40 -3.63 1.97 -0.02 -1.26 -4.15 135.00 130.13 3hqd n PRO 363 Ca 0.29 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 62.14 3hqd n PRO 363 Cb 0.43 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3hqd n PRO 363 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3hqd s GLU 364 N -2.72 0.81 0.65 -0.52 -1.05 -1.25 -4.98 118.70 109.64 3hqd s GLU 364 Ca 0.72 0.62 -0.18 0.00 -0.15 0.00 0.00 54.97 55.98 3hqd s GLU 364 Cb -0.44 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 33.63 3hqd s GLU 364 CO 0.50 -0.16 1.26 0.08 0.95 0.00 0.00 175.26 177.88 3hqd s VAL 365 N -0.20 2.22 -2.78 1.83 1.01 -1.26 -4.44 120.40 116.78 3hqd s VAL 365 Ca -0.04 0.13 0.26 0.00 0.00 0.00 0.00 61.98 62.33 3hqd s VAL 365 Cb -0.03 -2.98 0.35 0.00 0.00 0.00 0.00 36.38 33.72 3hqd s VAL 365 CO 0.03 -0.04 1.47 0.59 0.00 0.00 0.00 175.10 177.16