#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpx s ILE 19 N 0.00 1.90 -0.11 1.09 1.01 -1.26 -5.12 121.20 118.71 3hpx s ILE 19 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3hpx s ILE 19 Cb 0.00 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3hpx s ILE 19 CO 0.00 0.52 -0.16 0.68 0.00 0.00 0.00 174.94 175.98 3hpx s VAL 20 N 1.05 2.80 -0.44 2.92 -7.23 -1.26 -5.08 120.40 113.15 3hpx s VAL 20 Ca -0.02 -0.76 -0.44 0.00 -1.81 0.00 0.00 61.98 58.94 3hpx s VAL 20 Cb -0.14 -2.14 -0.18 0.00 0.56 0.00 0.00 36.38 34.47 3hpx s VAL 20 CO -0.06 0.54 1.78 1.17 -0.31 0.00 0.00 175.10 178.22 3hpx n LYS 21 N 3.37 0.33 -1.55 4.82 4.81 -1.26 -4.88 118.16 123.81 3hpx n LYS 21 Ca -0.18 0.12 -0.51 0.00 -0.87 0.00 0.00 58.31 56.87 3hpx n LYS 21 Cb 0.53 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 33.83 3hpx n LYS 21 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3hpx n PRO 22 N 5.28 0.85 -0.15 1.64 -0.02 -1.26 -4.91 135.00 136.43 3hpx n PRO 22 Ca 0.35 0.30 0.02 0.00 -2.02 0.00 0.00 63.50 62.16 3hpx n PRO 22 Cb 0.01 -1.77 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3hpx n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hpx n ALA 23 N 1.47 1.72 -1.51 3.55 0.00 -1.20 -4.62 120.51 119.92 3hpx n ALA 23 Ca 0.17 -1.13 -0.29 0.00 0.00 0.00 0.00 53.44 52.18 3hpx n ALA 23 Cb 0.21 -0.21 0.18 0.00 0.00 0.00 0.00 19.45 19.63 3hpx n ALA 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hpx s GLY 24 N -1.01 1.63 0.79 0.00 0.00 -0.30 -4.85 107.32 103.58 3hpx s GLY 24 Ca 0.06 -0.81 -0.12 0.00 0.00 0.00 0.00 44.72 43.85 3hpx s GLY 24 CO 0.01 -0.11 1.14 2.56 0.00 0.00 0.00 173.10 176.69 3hpx s PRO 25 N -5.46 1.93 0.99 2.90 0.04 -1.26 -2.58 135.00 131.56 3hpx s PRO 25 Ca 0.68 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 63.05 3hpx s PRO 25 Cb -0.11 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.78 3hpx s PRO 25 CO 0.54 -1.93 1.09 -1.25 0.04 0.00 0.00 177.00 175.49 3hpx s PRO 26 N -4.49 0.50 0.57 0.56 0.04 -1.26 -2.67 135.00 128.24 3hpx s PRO 26 Ca 0.67 0.56 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 3hpx s PRO 26 Cb -0.22 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3hpx s PRO 26 CO 0.52 -2.70 1.11 1.03 0.04 0.00 0.00 177.00 177.00 3hpx s ARG 27 N -4.95 3.24 0.11 4.56 0.52 -1.26 -4.95 118.95 116.22 3hpx s ARG 27 Ca 0.65 1.50 -0.33 0.00 -0.52 0.00 0.00 55.73 57.03 3hpx s ARG 27 Cb -0.19 -2.00 -0.13 0.00 0.52 0.00 0.00 34.95 33.15 3hpx s ARG 27 CO 0.58 -0.91 1.68 0.28 0.02 0.00 0.00 175.30 176.95 3hpx n VAL 28 N -1.62 0.16 0.00 3.52 0.31 -1.26 -1.55 118.33 117.89 3hpx n VAL 28 Ca 0.11 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3hpx n VAL 28 Cb 0.51 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 3hpx n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hpx n GLY 29 N 3.76 1.81 3.70 2.92 0.00 -1.26 -5.02 105.19 111.09 3hpx n GLY 29 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3hpx n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hpx s GLN 30 N -0.46 4.19 0.51 1.61 0.74 -0.59 -4.92 119.66 120.73 3hpx s GLN 30 Ca 0.00 2.40 -0.22 0.00 0.05 0.00 0.00 55.36 57.59 3hpx s GLN 30 Cb 0.00 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.58 3hpx s GLN 30 CO 0.00 -0.73 1.24 -2.14 -0.55 0.00 0.00 175.29 173.12 3hpx s PRO 31 N 2.25 3.41 0.55 1.67 0.02 -1.26 -4.92 135.00 136.72 3hpx s PRO 31 Ca 0.74 1.95 0.35 0.00 0.02 0.00 0.00 61.00 64.07 3hpx s PRO 31 Cb -0.42 -2.28 1.58 0.00 0.02 0.00 0.00 34.50 33.39 3hpx s PRO 31 CO 0.33 -0.88 2.04 0.66 -0.33 0.00 0.00 177.00 178.82 3hpx h SER 32 N 1.66 0.00 0.33 2.53 4.64 -2.01 -1.26 113.55 119.43 3hpx h SER 32 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3hpx h SER 32 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3hpx h SER 32 CO 0.58 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.87 3hpx n TRP 33 N -3.00 0.00 -3.70 4.77 4.27 -1.26 -4.48 117.44 114.04 3hpx n TRP 33 Ca -0.00 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.23 3hpx n TRP 33 Cb 0.24 -0.25 -0.11 0.00 -1.36 0.00 0.00 31.31 29.83 3hpx n TRP 33 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3hpx s ASN 34 N -2.51 5.42 0.00 -0.67 3.84 -0.48 -4.96 114.94 115.58 3hpx s ASN 34 Ca 0.20 -1.89 0.18 0.00 0.21 0.00 0.00 52.86 51.56 3hpx s ASN 34 Cb 0.13 -1.90 0.99 0.00 -0.55 0.00 0.00 41.25 39.92 3hpx s ASN 34 CO 0.29 -0.57 1.65 -0.81 -2.79 0.00 0.00 177.10 174.87 3hpx n PRO 35 N 4.73 1.16 -1.74 0.43 -0.05 -1.26 -4.82 135.00 133.44 3hpx n PRO 35 Ca -0.05 -0.24 -0.38 0.00 -0.05 0.00 0.00 63.50 62.78 3hpx n PRO 35 Cb 0.41 -1.30 0.05 0.00 -0.05 0.00 0.00 33.50 32.62 3hpx n PRO 35 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 3hpx n GLN 36 N -0.54 1.50 -4.35 0.54 6.02 -1.26 -5.04 117.38 114.25 3hpx n GLN 36 Ca 0.14 0.56 -0.18 0.00 -0.01 0.00 0.00 57.00 57.51 3hpx n GLN 36 Cb 0.12 -2.57 -0.10 0.00 1.02 0.00 0.00 30.24 28.71 3hpx n GLN 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hpx s ARG 37 N -3.07 1.35 0.21 -1.09 1.81 -1.26 -4.50 118.95 112.39 3hpx s ARG 37 Ca 0.76 -1.64 -0.30 0.00 -1.72 0.00 0.00 55.73 52.83 3hpx s ARG 37 Cb -0.40 -0.97 -0.09 0.00 -0.45 0.00 0.00 34.95 33.04 3hpx s ARG 37 CO 0.46 0.08 1.27 0.00 -0.68 0.00 0.00 175.30 176.42 3hpx s ALA 38 N -3.11 3.49 0.67 2.13 0.00 -1.06 -4.74 121.76 119.14 3hpx s ALA 38 Ca 0.24 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.21 3hpx s ALA 38 Cb 0.02 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.74 3hpx s ALA 38 CO 0.07 -0.48 0.98 -1.54 0.00 0.00 0.00 175.76 174.80 3hpx s SER 39 N 0.16 4.99 -0.13 0.00 1.04 -1.26 -1.15 113.70 117.34 3hpx s SER 39 Ca 0.54 0.47 0.10 0.00 0.48 0.00 0.00 55.95 57.55 3hpx s SER 39 Cb -0.35 -1.20 0.53 0.00 0.10 0.00 0.00 66.02 65.09 3hpx s SER 39 CO 0.39 -1.47 1.33 -1.54 0.98 0.00 0.00 173.24 172.93 3hpx n SER 40 N -2.82 3.91 -4.68 7.02 3.41 -1.26 -4.91 113.62 114.29 3hpx n SER 40 Ca 0.07 -2.53 -0.45 0.00 -0.26 0.00 0.00 58.87 55.71 3hpx n SER 40 Cb 0.60 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3hpx n SER 40 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hpx n MET 41 N 0.48 2.19 -1.49 4.33 2.81 -1.26 -4.85 117.12 119.34 3hpx n MET 41 Ca 0.18 0.79 -0.40 0.00 -1.81 0.00 0.00 57.70 56.46 3hpx n MET 41 Cb 0.81 -2.54 -0.02 0.00 -0.71 0.00 0.00 33.22 30.77 3hpx n MET 41 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3hpx n PRO 42 N 3.09 2.87 0.27 0.03 -0.04 -1.26 -4.68 135.00 135.27 3hpx n PRO 42 Ca 0.15 -2.33 0.12 0.00 -0.04 0.00 0.00 63.50 61.40 3hpx n PRO 42 Cb 0.30 -3.06 0.77 0.00 -0.04 0.00 0.00 33.50 31.47 3hpx n PRO 42 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3hpx h VAL 43 N 3.76 0.76 -0.11 0.52 -1.51 -1.93 -1.94 116.25 115.81 3hpx h VAL 43 Ca 0.63 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 66.13 3hpx h VAL 43 Cb 0.52 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 3hpx h VAL 43 CO 1.84 0.00 0.24 -0.55 -1.23 0.00 0.00 177.57 177.88 3hpx h ASN 44 N 0.00 0.00 0.20 4.19 7.08 -2.01 -1.90 115.58 123.14 3hpx h ASN 44 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 3hpx h ASN 44 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 3hpx h ASN 44 CO -0.00 0.00 0.00 0.54 -2.08 0.00 0.00 177.43 175.89 3hpx n ARG 45 N -3.31 0.66 -4.06 4.14 1.74 -0.73 -4.78 116.66 110.32 3hpx n ARG 45 Ca 0.00 0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.95 3hpx n ARG 45 Cb 0.33 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 3hpx n ARG 45 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hpx s TYR 46 N -2.23 0.33 0.11 -1.55 1.51 -0.72 -5.15 117.35 109.66 3hpx s TYR 46 Ca 0.35 -0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.43 3hpx s TYR 46 Cb 0.18 -0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.75 3hpx s TYR 46 CO 0.35 -0.02 -0.15 1.03 -1.11 0.00 0.00 175.55 175.65 3hpx s ARG 47 N 0.05 1.91 0.62 -0.62 0.52 -1.26 -4.96 118.95 115.21 3hpx s ARG 47 Ca -0.00 -1.12 -0.18 0.00 -0.52 0.00 0.00 55.73 53.91 3hpx s ARG 47 Cb -0.03 -2.19 -0.06 0.00 0.52 0.00 0.00 34.95 33.20 3hpx s ARG 47 CO -0.00 0.49 0.74 -2.30 0.02 0.00 0.00 175.30 174.24 3hpx n PRO 48 N 0.75 0.63 -0.35 3.54 -0.02 -1.26 -4.70 135.00 133.59 3hpx n PRO 48 Ca -0.15 0.25 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 3hpx n PRO 48 Cb 0.53 -1.95 0.22 0.00 -0.02 0.00 0.00 33.50 32.27 3hpx n PRO 48 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3hpx h PHE 49 N 0.21 1.15 -0.90 6.00 3.57 -1.94 -0.99 116.94 124.03 3hpx h PHE 49 Ca -0.47 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.21 3hpx h PHE 49 Cb 1.38 -0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 3hpx h PHE 49 CO 0.34 0.54 0.58 0.00 -2.23 0.00 0.00 178.31 177.54 3hpx h ALA 50 N 1.50 1.82 0.07 2.41 0.00 -1.91 -0.33 119.26 122.82 3hpx h ALA 50 Ca 0.45 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 55.07 3hpx h ALA 50 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3hpx h ALA 50 CO -0.20 -0.07 -1.64 0.93 0.00 0.00 0.00 179.25 178.27 3hpx h GLU 51 N 0.70 0.15 -0.21 0.00 5.08 -1.56 -2.68 114.58 116.05 3hpx h GLU 51 Ca 0.45 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 3hpx h GLU 51 Cb 0.72 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3hpx h GLU 51 CO -0.21 0.91 -0.52 1.49 -1.00 0.00 0.00 179.01 179.68 3hpx h GLU 52 N 0.04 0.59 0.00 2.33 4.57 -0.91 -3.44 114.58 117.76 3hpx h GLU 52 Ca -0.27 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 3hpx h GLU 52 Cb 2.00 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.62 3hpx h GLU 52 CO 0.12 0.96 0.00 0.28 -1.18 0.00 0.00 179.01 179.19 3hpx n VAL 53 N -3.98 0.00 -3.60 0.32 0.31 -0.16 -4.98 118.33 106.24 3hpx n VAL 53 Ca -0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.21 3hpx n VAL 53 Cb 0.59 -0.20 -0.02 0.00 -0.91 0.00 0.00 33.84 33.30 3hpx n VAL 53 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hpx s GLU 54 N 0.00 1.29 0.71 5.55 -1.05 -1.01 -4.97 118.70 119.23 3hpx s GLU 54 Ca 0.00 -0.59 -0.11 0.00 -0.15 0.00 0.00 54.97 54.12 3hpx s GLU 54 Cb 0.00 0.52 0.02 0.00 -0.44 0.00 0.00 34.13 34.23 3hpx s GLU 54 CO 0.00 -0.58 1.07 -1.25 0.95 0.00 0.00 175.26 175.45 3hpx s PRO 55 N -3.58 2.78 -0.06 -4.83 0.04 -1.22 -4.00 135.00 124.12 3hpx s PRO 55 Ca 0.06 0.94 -0.39 0.00 0.04 0.00 0.00 61.00 61.65 3hpx s PRO 55 Cb -0.02 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.37 3hpx s PRO 55 CO -0.05 -1.21 1.37 0.44 0.04 0.00 0.00 177.00 177.59 3hpx n ILE 56 N -3.20 0.06 0.25 0.56 -0.00 -1.26 -4.94 119.36 110.82 3hpx n ILE 56 Ca 0.08 -0.01 0.12 0.00 -0.00 0.00 0.00 62.75 62.93 3hpx n ILE 56 Cb 0.54 -0.65 0.04 0.00 -0.00 0.00 0.00 39.64 39.57 3hpx n ILE 56 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 3hpx h ARG 57 N 4.69 0.00 -6.34 6.28 3.08 -1.94 -3.48 114.38 116.68 3hpx h ARG 57 Ca -0.48 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.02 3hpx h ARG 57 Cb 1.36 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 3hpx h ARG 57 CO 0.80 0.00 0.51 -1.17 -1.07 0.00 0.00 179.97 179.04 3hpx s LEU 58 N -4.99 4.31 -0.03 3.04 2.96 -1.26 -5.05 118.68 117.65 3hpx s LEU 58 Ca 0.01 1.65 0.03 0.00 -0.22 0.00 0.00 54.13 55.60 3hpx s LEU 58 Cb 0.11 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 3hpx s LEU 58 CO 0.77 -0.40 -0.08 0.00 -1.32 0.00 0.00 176.35 175.33 3hpx s ARG 59 N 1.59 2.60 -1.25 1.98 1.70 -1.26 -4.72 118.95 119.58 3hpx s ARG 59 Ca 0.51 -0.66 -0.03 0.00 -0.47 0.00 0.00 55.73 55.08 3hpx s ARG 59 Cb -0.21 -2.50 -0.01 0.00 -0.57 0.00 0.00 34.95 31.66 3hpx s ARG 59 CO 0.23 0.63 0.76 0.09 -1.08 0.00 0.00 175.30 175.93 3hpx n ASN 60 N 1.94 -2.23 -4.68 -2.89 4.13 -1.26 -4.92 115.26 105.35 3hpx n ASN 60 Ca -0.17 -0.81 -0.40 0.00 1.68 0.00 0.00 54.58 54.88 3hpx n ASN 60 Cb 0.53 -4.21 0.02 0.00 -1.54 0.00 0.00 39.78 34.58 3hpx n ASN 60 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3hpx n ARG 61 N -4.14 1.65 -0.00 3.52 1.85 -1.26 -4.95 116.66 113.33 3hpx n ARG 61 Ca -0.25 0.60 0.02 0.00 -1.00 0.00 0.00 57.85 57.21 3hpx n ARG 61 Cb 0.66 -2.33 -0.04 0.00 -1.05 0.00 0.00 32.46 29.71 3hpx n ARG 61 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3hpx n THR 62 N -0.59 0.03 -0.34 8.89 -2.24 -1.26 -4.73 114.28 114.03 3hpx n THR 62 Ca 0.09 -0.12 0.18 0.00 -2.27 0.00 0.00 64.05 61.93 3hpx n THR 62 Cb 0.41 0.27 0.41 0.00 -2.10 0.00 0.00 70.33 69.32 3hpx n THR 62 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3hpx h TRP 63 N 0.00 0.95 0.00 4.78 5.08 -1.92 -1.00 115.95 123.84 3hpx h TRP 63 Ca -0.01 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3hpx h TRP 63 Cb 0.32 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 3hpx h TRP 63 CO 0.00 0.07 0.00 -1.35 -1.28 0.00 0.00 178.44 175.88 3hpx h PRO 64 N 0.55 0.00 -0.32 0.12 0.11 -1.92 -2.38 132.00 128.15 3hpx h PRO 64 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 3hpx h PRO 64 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hpx h PRO 64 CO -0.44 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.10 3hpx n ASP 65 N -2.54 2.88 -4.36 -2.05 8.00 -0.38 -4.95 116.55 113.15 3hpx n ASP 65 Ca -0.02 -1.89 -0.34 0.00 0.71 0.00 0.00 54.79 53.25 3hpx n ASP 65 Cb 0.05 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.12 40.81 3hpx n ASP 65 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hpx s ARG 66 N -1.04 3.43 -0.13 -1.24 1.81 -0.90 -5.10 118.95 115.78 3hpx s ARG 66 Ca 0.25 -0.62 -0.14 0.00 -1.72 0.00 0.00 55.73 53.50 3hpx s ARG 66 Cb 0.14 -2.87 -0.05 0.00 -0.45 0.00 0.00 34.95 31.72 3hpx s ARG 66 CO 0.19 0.01 0.32 0.08 -0.68 0.00 0.00 175.30 175.23 3hpx s VAL 67 N 0.91 5.27 0.05 3.52 1.01 -1.26 -4.86 120.40 125.04 3hpx s VAL 67 Ca -0.01 0.62 -0.34 0.00 0.00 0.00 0.00 61.98 62.24 3hpx s VAL 67 Cb -0.15 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 3hpx s VAL 67 CO 0.01 0.41 1.70 -0.38 0.00 0.00 0.00 175.10 176.84 3hpx n ILE 68 N 3.30 0.25 -0.80 2.22 5.41 -1.26 -4.90 119.36 123.58 3hpx n ILE 68 Ca -0.12 -0.04 0.04 0.00 1.00 0.00 0.00 62.75 63.62 3hpx n ILE 68 Cb 0.52 -1.65 0.05 0.00 -0.71 0.00 0.00 39.64 37.85 3hpx n ILE 68 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3hpx n ASP 69 N 4.77 1.56 -3.56 4.38 3.85 -1.26 -4.99 116.55 121.30 3hpx n ASP 69 Ca 0.20 -2.25 -0.11 0.00 -0.71 0.00 0.00 54.79 51.92 3hpx n ASP 69 Cb 0.28 -0.18 -0.03 0.00 -1.35 0.00 0.00 41.12 39.84 3hpx n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hpx s ARG 70 N -1.39 1.25 0.38 0.11 1.70 -1.26 -4.96 118.95 114.78 3hpx s ARG 70 Ca 0.11 -0.64 -0.25 0.00 -0.47 0.00 0.00 55.73 54.48 3hpx s ARG 70 Cb 0.10 0.54 -0.09 0.00 -0.57 0.00 0.00 34.95 34.93 3hpx s ARG 70 CO 0.01 -0.53 1.11 0.00 -1.08 0.00 0.00 175.30 174.81 3hpx s ALA 71 N -3.80 3.17 0.85 7.88 0.00 -1.26 -5.05 121.76 123.57 3hpx s ALA 71 Ca 0.03 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 3hpx s ALA 71 Cb -0.00 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.89 3hpx s ALA 71 CO -0.10 -0.34 1.13 -1.25 0.00 0.00 0.00 175.76 175.20 3hpx s PRO 72 N -2.22 1.62 -0.05 0.00 0.04 -1.26 -4.98 135.00 128.14 3hpx s PRO 72 Ca 0.55 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 3hpx s PRO 72 Cb -0.28 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3hpx s PRO 72 CO 0.35 -1.89 1.69 -1.17 0.04 0.00 0.00 177.00 176.02 3hpx s LEU 73 N -5.87 4.31 0.10 -3.56 2.96 -0.85 -4.96 118.68 110.82 3hpx s LEU 73 Ca 0.62 2.26 -0.20 0.00 -0.22 0.00 0.00 54.13 56.60 3hpx s LEU 73 Cb -0.14 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 3hpx s LEU 73 CO 0.53 -0.96 0.61 0.26 -1.32 0.00 0.00 176.35 175.47 3hpx s TRP 74 N 4.16 3.79 -0.14 5.38 0.52 -1.26 -1.32 118.94 130.07 3hpx s TRP 74 Ca 0.75 1.31 0.00 0.00 0.02 0.00 0.00 56.10 58.19 3hpx s TRP 74 Cb -0.34 -2.53 0.02 0.00 -1.15 0.00 0.00 33.47 29.47 3hpx s TRP 74 CO 0.31 0.55 -0.14 0.00 0.02 0.00 0.00 176.95 177.69 3hpx s ALA 76 N 1.43 3.58 -0.69 0.00 0.00 -0.67 -2.03 121.76 123.38 3hpx s ALA 76 Ca 0.03 -0.53 0.15 0.00 0.00 0.00 0.00 51.96 51.62 3hpx s ALA 76 Cb -0.13 -2.90 0.53 0.00 0.00 0.00 0.00 23.12 20.62 3hpx s ALA 76 CO -0.09 -0.68 1.44 1.33 0.00 0.00 0.00 175.76 177.76 3hpx n VAL 77 N 5.02 1.77 -0.17 0.00 0.24 -0.53 -1.43 118.33 123.22 3hpx n VAL 77 Ca -0.04 -1.39 0.13 0.00 -2.04 0.00 0.00 64.34 61.01 3hpx n VAL 77 Cb 0.50 0.09 0.46 0.00 -1.47 0.00 0.00 33.84 33.42 3hpx n VAL 77 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hpx h ASP 78 N 2.61 0.47 1.71 -1.34 5.19 -1.84 -1.01 116.42 122.21 3hpx h ASP 78 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3hpx h ASP 78 Cb 1.24 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3hpx h ASP 78 CO 0.17 0.25 0.00 -0.07 -3.12 0.00 0.00 179.24 176.47 3hpx h LEU 79 N 0.50 0.00 0.00 1.55 3.38 -1.84 -1.12 115.31 117.79 3hpx h LEU 79 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3hpx h LEU 79 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hpx h LEU 79 CO -0.13 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.26 3hpx n ARG 80 N -2.67 0.00 -0.30 1.13 0.00 -1.09 -4.37 116.66 109.36 3hpx n ARG 80 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.01 3hpx n ARG 80 Cb 0.47 -0.03 0.35 0.00 0.00 0.00 0.00 32.46 33.25 3hpx n ARG 80 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hpx h ASP 81 N 0.00 0.72 0.15 6.15 3.58 -1.58 0.12 116.42 125.57 3hpx h ASP 81 Ca 0.00 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 3hpx h ASP 81 Cb 0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3hpx h ASP 81 CO 0.00 0.36 -0.07 1.23 -2.88 0.00 0.00 179.24 177.87 3hpx h GLY 82 N 0.76 -0.22 0.24 -0.78 0.00 -1.22 -3.32 103.07 98.54 3hpx h GLY 82 Ca 0.47 0.08 0.18 0.00 0.00 0.00 0.00 47.33 48.07 3hpx h GLY 82 CO -0.23 -0.08 0.61 -0.57 0.00 0.00 0.00 176.54 176.27 3hpx h ASN 83 N -0.89 0.68 -0.49 0.19 -1.24 -0.96 0.80 115.58 113.67 3hpx h ASN 83 Ca -0.02 0.07 0.13 0.00 0.71 0.00 0.00 56.30 57.19 3hpx h ASN 83 Cb 0.51 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 3hpx h ASN 83 CO 0.03 0.27 0.34 -0.61 -1.29 0.00 0.00 177.43 176.18 3hpx h GLN 84 N 0.68 0.07 -0.00 6.67 5.75 -0.86 -2.09 115.11 125.33 3hpx h GLN 84 Ca 0.53 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.03 3hpx h GLN 84 Cb 0.92 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.46 3hpx h GLN 84 CO -0.30 0.05 -0.05 0.00 -2.65 0.00 0.00 178.83 175.88 3hpx n ALA 85 N -2.61 2.63 -2.09 3.38 0.00 0.27 -4.94 120.51 117.15 3hpx n ALA 85 Ca 0.08 -0.21 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 3hpx n ALA 85 Cb 0.51 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 3hpx n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hpx s LEU 86 N -2.45 4.56 0.14 0.00 1.43 -0.79 -4.86 118.68 116.72 3hpx s LEU 86 Ca 0.31 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.79 3hpx s LEU 86 Cb 0.20 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 3hpx s LEU 86 CO 0.45 0.20 1.77 0.40 0.23 0.00 0.00 176.35 179.40 3hpx h ILE 87 N 3.46 1.12 -3.62 -0.59 1.08 -1.89 -3.38 117.51 113.70 3hpx h ILE 87 Ca -0.47 -0.29 -0.69 0.00 -0.39 0.00 0.00 64.86 63.02 3hpx h ILE 87 Cb 1.21 0.66 -0.34 0.00 -3.07 0.00 0.00 36.82 35.28 3hpx h ILE 87 CO 0.66 0.13 -0.62 -1.81 -0.69 0.00 0.00 178.15 175.81 3hpx s ASP 88 N -5.61 5.08 0.36 1.72 1.01 -1.26 -5.10 116.67 112.87 3hpx s ASP 88 Ca -0.13 -1.71 -0.26 0.00 0.71 0.00 0.00 52.55 51.16 3hpx s ASP 88 Cb 0.10 -1.77 -0.13 0.00 1.01 0.00 0.00 42.92 42.13 3hpx s ASP 88 CO 0.73 -0.41 0.93 -2.65 0.21 0.00 0.00 175.17 173.97 3hpx n PRO 89 N 4.59 1.21 -1.93 8.23 -0.02 -1.26 -4.81 135.00 141.01 3hpx n PRO 89 Ca -0.06 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 3hpx n PRO 89 Cb 0.42 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 3hpx n PRO 89 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3hpx s MET 90 N -1.72 4.21 0.90 -0.52 -1.94 -1.26 -5.02 119.30 113.95 3hpx s MET 90 Ca 0.61 2.37 -0.12 0.00 -1.71 0.00 0.00 55.69 56.85 3hpx s MET 90 Cb -0.64 -3.15 0.13 0.00 2.01 0.00 0.00 34.83 33.19 3hpx s MET 90 CO 0.58 -0.60 1.09 -1.54 -0.01 0.00 0.00 175.02 174.54 3hpx s SER 91 N 1.09 3.46 0.33 3.03 1.04 -1.26 -4.79 113.70 116.60 3hpx s SER 91 Ca 0.70 1.42 0.08 0.00 0.48 0.00 0.00 55.95 58.63 3hpx s SER 91 Cb -0.44 -2.10 0.81 0.00 0.10 0.00 0.00 66.02 64.38 3hpx s SER 91 CO 0.32 -2.64 1.80 -0.65 0.98 0.00 0.00 173.24 173.05 3hpx h PRO 92 N -1.55 0.68 -0.63 4.02 0.11 -1.98 -1.52 132.00 131.14 3hpx h PRO 92 Ca -0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 3hpx h PRO 92 Cb 1.29 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hpx h PRO 92 CO 0.55 0.45 0.06 0.00 -0.21 0.00 0.00 178.00 178.86 3hpx h ALA 93 N 1.63 0.91 -0.25 -0.75 0.00 -2.00 -1.47 119.26 117.33 3hpx h ALA 93 Ca 0.55 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3hpx h ALA 93 Cb 0.93 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hpx h ALA 93 CO -0.32 0.66 -0.53 0.00 0.00 0.00 0.00 179.25 179.06 3hpx h ARG 94 N 0.99 0.74 -0.52 0.00 3.08 -1.80 -1.43 114.38 115.43 3hpx h ARG 94 Ca 0.19 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3hpx h ARG 94 Cb 0.48 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3hpx h ARG 94 CO 0.02 1.08 0.27 0.87 -1.07 0.00 0.00 179.97 181.14 3hpx h LYS 95 N 0.57 0.74 -0.75 0.04 1.57 -1.15 -1.20 116.57 116.40 3hpx h LYS 95 Ca 0.02 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3hpx h LYS 95 Cb 1.11 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 3hpx h LYS 95 CO 0.11 0.60 0.27 0.00 -0.57 0.00 0.00 179.45 179.86 3hpx h ARG 96 N 0.70 1.12 -0.29 3.15 3.08 -1.08 0.37 114.38 121.43 3hpx h ARG 96 Ca 0.18 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hpx h ARG 96 Cb 0.09 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3hpx h ARG 96 CO -0.03 0.93 0.15 -0.09 -1.07 0.00 0.00 179.97 179.86 3hpx h ARG 97 N 1.09 0.31 -0.05 0.04 9.65 -0.88 0.32 114.38 124.86 3hpx h ARG 97 Ca 0.25 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.11 3hpx h ARG 97 Cb 0.24 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3hpx h ARG 97 CO -0.02 0.20 0.03 1.98 2.80 0.00 0.00 179.97 184.97 3hpx h MET 98 N 0.32 0.07 -0.72 0.20 4.05 -0.94 -1.55 114.93 116.35 3hpx h MET 98 Ca 0.12 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.62 3hpx h MET 98 Cb 0.02 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.74 3hpx h MET 98 CO -0.07 0.11 0.37 0.35 0.23 0.00 0.00 176.91 177.90 3hpx h PHE 99 N 0.01 0.66 -0.72 1.39 3.57 -0.74 -1.81 116.94 119.31 3hpx h PHE 99 Ca 0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3hpx h PHE 99 Cb 0.06 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3hpx h PHE 99 CO -0.05 0.25 0.47 -0.44 -2.23 0.00 0.00 178.31 176.30 3hpx h ASP 100 N 0.63 0.80 0.08 0.41 3.32 -0.77 -1.62 116.42 119.26 3hpx h ASP 100 Ca 0.35 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3hpx h ASP 100 Cb 0.36 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3hpx h ASP 100 CO -0.26 0.57 -0.04 0.25 -1.72 0.00 0.00 179.24 178.04 3hpx h LEU 101 N 0.94 -0.09 -0.40 1.55 5.85 -0.76 -1.15 115.31 121.25 3hpx h LEU 101 Ca 0.27 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.96 3hpx h LEU 101 Cb -0.07 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3hpx h LEU 101 CO -0.07 0.01 0.18 -0.07 -0.34 0.00 0.00 178.44 178.15 3hpx h LEU 102 N -0.19 0.24 -0.21 2.25 3.38 -1.21 0.59 115.31 120.16 3hpx h LEU 102 Ca -0.01 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hpx h LEU 102 Cb 0.16 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3hpx h LEU 102 CO 0.02 0.18 -0.10 0.58 0.09 0.00 0.00 178.44 179.21 3hpx h VAL 103 N 0.37 0.68 -0.01 1.22 2.07 -1.26 -1.84 116.25 117.49 3hpx h VAL 103 Ca 0.18 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 3hpx h VAL 103 Cb 0.11 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3hpx h VAL 103 CO -0.15 0.00 -0.31 0.03 0.02 0.00 0.00 177.57 177.16 3hpx h ARG 104 N -0.07 0.01 0.00 1.57 -0.00 -0.62 -2.45 114.38 112.82 3hpx h ARG 104 Ca 0.11 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.53 3hpx h ARG 104 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 3hpx h ARG 104 CO -0.26 0.33 -0.27 0.52 0.00 0.00 0.00 179.97 180.28 3hpx h MET 105 N 0.01 0.00 0.00 0.04 2.07 -0.83 -3.46 114.93 112.76 3hpx h MET 105 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3hpx h MET 105 Cb 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.29 3hpx h MET 105 CO 0.04 0.27 0.00 0.41 1.07 0.00 0.00 176.91 178.70 3hpx n GLY 106 N 0.23 1.08 3.75 8.32 0.00 -0.92 -1.44 105.19 116.20 3hpx n GLY 106 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hpx n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hpx s TYR 107 N -2.00 3.13 -0.23 1.61 1.51 -0.71 -4.92 117.35 115.74 3hpx s TYR 107 Ca 0.00 1.18 0.10 0.00 -1.01 0.00 0.00 57.07 57.34 3hpx s TYR 107 Cb 0.00 -3.70 -0.13 0.00 -0.11 0.00 0.00 41.96 38.02 3hpx s TYR 107 CO 0.00 -2.18 0.31 1.63 -1.11 0.00 0.00 175.55 174.21 3hpx n LYS 108 N 2.15 1.98 -4.52 -0.62 4.76 -1.26 -4.59 118.16 116.06 3hpx n LYS 108 Ca 0.05 -0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 3hpx n LYS 108 Cb 0.42 -1.11 -0.17 0.00 -1.84 0.00 0.00 35.03 32.33 3hpx n LYS 108 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hpx s GLU 109 N -2.33 2.04 -0.12 1.97 2.02 -1.26 -0.42 118.70 120.61 3hpx s GLU 109 Ca -0.00 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 3hpx s GLU 109 Cb 0.07 -1.72 0.04 0.00 0.10 0.00 0.00 34.13 32.62 3hpx s GLU 109 CO 0.41 -0.03 0.05 0.42 0.02 0.00 0.00 175.26 176.13 3hpx s ILE 110 N 0.88 0.18 0.12 -1.63 1.01 -0.96 -1.67 121.20 119.13 3hpx s ILE 110 Ca -0.09 -0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.20 3hpx s ILE 110 Cb -0.15 -0.58 -0.09 0.00 0.01 0.00 0.00 42.46 41.65 3hpx s ILE 110 CO 0.01 -0.01 1.47 -0.70 0.00 0.00 0.00 174.94 175.71 3hpx s GLU 111 N 2.03 4.27 0.00 2.79 2.12 -0.51 -0.33 118.70 129.07 3hpx s GLU 111 Ca 0.03 2.19 0.01 0.00 0.36 0.00 0.00 54.97 57.56 3hpx s GLU 111 Cb -0.14 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 3hpx s GLU 111 CO -0.06 -0.53 0.21 1.33 -0.54 0.00 0.00 175.26 175.67 3hpx n VAL 112 N 4.05 0.00 0.00 3.70 0.24 0.13 -4.04 118.33 122.41 3hpx n VAL 112 Ca 0.13 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3hpx n VAL 112 Cb 0.41 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 3hpx n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hpx n GLY 113 N 0.65 -0.62 2.52 7.63 0.00 -1.24 -4.72 105.19 109.40 3hpx n GLY 113 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 3hpx n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hpx n PHE 114 N -0.98 2.41 0.29 1.61 -0.00 -1.26 -0.75 117.46 118.78 3hpx n PHE 114 Ca 0.00 -3.93 0.17 0.00 -0.00 0.00 0.00 57.45 53.68 3hpx n PHE 114 Cb 0.00 -0.47 0.90 0.00 -0.00 0.00 0.00 39.48 39.91 3hpx n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3hpx h PRO 115 N 3.47 0.00 -0.00 -7.13 0.13 -1.80 -0.80 132.00 125.87 3hpx h PRO 115 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hpx h PRO 115 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3hpx h PRO 115 CO 0.70 0.05 -0.02 -1.13 -0.23 0.00 0.00 178.00 177.37 3hpx n SER 116 N -3.44 0.07 0.00 1.44 3.41 -1.26 -3.67 113.62 110.17 3hpx n SER 116 Ca -0.02 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 3hpx n SER 116 Cb 0.17 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3hpx n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hpx n ALA 117 N -1.20 1.90 -3.52 7.33 0.00 -0.34 -4.98 120.51 119.69 3hpx n ALA 117 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 3hpx n ALA 117 Cb 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.54 3hpx n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hpx s SER 118 N -1.03 2.06 0.33 0.00 0.15 -0.98 -5.01 113.70 109.22 3hpx s SER 118 Ca 0.00 -0.59 0.02 0.00 0.70 0.00 0.00 55.95 56.08 3hpx s SER 118 Cb 0.00 0.10 0.58 0.00 -1.71 0.00 0.00 66.02 64.99 3hpx s SER 118 CO 0.00 -0.36 1.97 -0.61 1.20 0.00 0.00 173.24 175.44 3hpx h GLN 119 N 8.35 0.92 -0.11 5.44 5.75 -1.89 -0.46 115.11 133.11 3hpx h GLN 119 Ca -0.16 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.16 3hpx h GLN 119 Cb 1.12 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 3hpx h GLN 119 CO 0.32 0.61 -0.44 1.79 -2.65 0.00 0.00 178.83 178.45 3hpx h THR 120 N 0.94 1.32 -0.38 2.39 1.35 -1.95 -0.71 112.91 115.88 3hpx h THR 120 Ca 0.30 -1.60 0.02 0.00 -0.55 0.00 0.00 66.41 64.58 3hpx h THR 120 Cb 0.03 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 3hpx h THR 120 CO -0.09 0.48 0.22 0.44 -0.25 0.00 0.00 175.52 176.32 3hpx h ASP 121 N 0.22 0.35 -0.63 5.36 5.19 -1.81 -2.01 116.42 123.09 3hpx h ASP 121 Ca 0.02 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.47 3hpx h ASP 121 Cb 0.87 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.27 3hpx h ASP 121 CO 0.07 0.25 0.37 0.15 -3.12 0.00 0.00 179.24 176.96 3hpx h PHE 122 N 0.45 0.68 -0.42 4.55 3.57 -0.57 -1.44 116.94 123.76 3hpx h PHE 122 Ca 0.15 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3hpx h PHE 122 Cb 0.02 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3hpx h PHE 122 CO -0.08 0.36 0.21 -0.44 -2.23 0.00 0.00 178.31 176.13 3hpx h ASP 123 N 0.70 0.55 -0.71 0.41 5.19 -1.08 -1.45 116.42 120.03 3hpx h ASP 123 Ca 0.27 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3hpx h ASP 123 Cb 0.09 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.43 3hpx h ASP 123 CO -0.14 0.52 0.39 0.15 -3.12 0.00 0.00 179.24 177.04 3hpx h PHE 124 N 0.54 0.97 -0.57 4.55 3.57 -1.02 -1.40 116.94 123.59 3hpx h PHE 124 Ca 0.15 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3hpx h PHE 124 Cb 0.11 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3hpx h PHE 124 CO -0.01 0.69 0.07 0.28 -2.23 0.00 0.00 178.31 177.11 3hpx h VAL 125 N 0.98 1.26 -0.80 1.41 2.07 -0.86 -1.63 116.25 118.67 3hpx h VAL 125 Ca 0.25 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3hpx h VAL 125 Cb 0.04 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3hpx h VAL 125 CO -0.04 0.37 0.39 0.03 0.02 0.00 0.00 177.57 178.33 3hpx h ARG 126 N 0.85 1.14 0.06 1.57 2.47 -1.18 -2.78 114.38 116.51 3hpx h ARG 126 Ca 0.17 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hpx h ARG 126 Cb 0.44 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 3hpx h ARG 126 CO 0.02 0.88 -0.03 1.49 0.56 0.00 0.00 179.97 182.89 3hpx h GLU 127 N 1.12 -0.07 -0.29 0.04 4.81 -0.85 0.25 114.58 119.60 3hpx h GLU 127 Ca 0.27 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 3hpx h GLU 127 Cb 0.11 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3hpx h GLU 127 CO -0.04 0.03 -0.05 -0.84 -0.73 0.00 0.00 179.01 177.38 3hpx h ILE 128 N -0.15 1.20 0.03 2.32 3.07 -1.26 -1.23 117.51 121.48 3hpx h ILE 128 Ca -0.01 -0.81 -0.10 0.00 1.55 0.00 0.00 64.86 65.49 3hpx h ILE 128 Cb 0.13 1.03 0.01 0.00 -0.27 0.00 0.00 36.82 37.72 3hpx h ILE 128 CO 0.01 0.27 -0.42 0.40 -1.05 0.00 0.00 178.15 177.36 3hpx h ILE 129 N 0.43 1.55 -0.33 0.16 2.04 -1.31 0.15 117.51 120.21 3hpx h ILE 129 Ca 0.09 -2.18 -0.09 0.00 1.00 0.00 0.00 64.86 63.68 3hpx h ILE 129 Cb 0.36 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 3hpx h ILE 129 CO 0.02 0.60 -0.18 -0.33 0.00 0.00 0.00 178.15 178.25 3hpx h GLU 130 N -0.46 0.61 -0.01 2.37 5.08 -0.93 -3.01 114.58 118.23 3hpx h GLU 130 Ca -0.06 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3hpx h GLU 130 Cb 1.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hpx h GLU 130 CO 0.08 0.76 -0.21 1.04 -1.00 0.00 0.00 179.01 179.68 3hpx n GLN 131 N -4.15 1.05 -2.97 2.33 1.13 -0.47 -4.97 117.38 109.34 3hpx n GLN 131 Ca 0.00 -0.64 -0.11 0.00 -1.94 0.00 0.00 57.00 54.31 3hpx n GLN 131 Cb 0.38 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.29 3hpx n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hpx n GLY 132 N 1.31 0.18 0.13 1.08 0.00 -0.99 -4.94 105.19 101.95 3hpx n GLY 132 Ca 0.13 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3hpx n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpx h ALA 133 N 0.49 0.91 -1.98 4.61 0.00 -1.26 -3.46 119.26 118.57 3hpx h ALA 133 Ca -0.28 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 3hpx h ALA 133 Cb 1.18 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3hpx h ALA 133 CO 0.27 0.00 0.63 0.42 0.00 0.00 0.00 179.25 180.57 3hpx s ILE 134 N -3.15 4.53 0.77 0.00 1.01 -1.25 -5.02 121.20 118.08 3hpx s ILE 134 Ca 0.08 1.10 -0.15 0.00 0.00 0.00 0.00 60.65 61.68 3hpx s ILE 134 Cb 0.11 -4.38 0.04 0.00 0.01 0.00 0.00 42.46 38.23 3hpx s ILE 134 CO 0.64 -0.65 1.02 -2.65 0.00 0.00 0.00 174.94 173.30 3hpx n PRO 135 N 6.96 0.31 0.24 2.79 -0.02 -1.26 -4.92 135.00 139.10 3hpx n PRO 135 Ca 0.07 0.17 0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3hpx n PRO 135 Cb 0.48 -2.28 0.68 0.00 -0.02 0.00 0.00 33.50 32.36 3hpx n PRO 135 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3hpx h ASP 136 N -0.62 0.00 -0.56 2.55 3.04 -2.00 -2.48 116.42 116.36 3hpx h ASP 136 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 3hpx h ASP 136 Cb 1.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 3hpx h ASP 136 CO 0.45 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 176.75 3hpx n ASP 137 N -2.84 3.93 -4.61 4.15 5.68 -1.26 -4.99 116.55 116.61 3hpx n ASP 137 Ca 0.01 -2.24 -0.34 0.00 -0.50 0.00 0.00 54.79 51.72 3hpx n ASP 137 Cb 0.26 -0.45 -0.11 0.00 -1.14 0.00 0.00 41.12 39.68 3hpx n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3hpx s VAL 138 N -1.44 4.11 -0.26 2.12 1.01 -0.93 -4.77 120.40 120.24 3hpx s VAL 138 Ca 0.42 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3hpx s VAL 138 Cb 0.25 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.91 3hpx s VAL 138 CO 0.23 0.56 -0.04 -0.89 0.00 0.00 0.00 175.10 174.97 3hpx s THR 139 N -0.44 3.02 0.37 3.92 2.01 0.44 -4.83 115.64 120.13 3hpx s THR 139 Ca 0.08 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 3hpx s THR 139 Cb -0.12 -2.56 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 3hpx s THR 139 CO 0.02 0.15 1.38 0.27 -0.69 0.00 0.00 174.62 175.76 3hpx s ILE 140 N 1.34 2.41 -0.14 1.82 -4.36 -1.26 -2.27 121.20 118.73 3hpx s ILE 140 Ca -0.00 0.40 -0.00 0.00 -0.26 0.00 0.00 60.65 60.79 3hpx s ILE 140 Cb -0.17 -3.25 -0.01 0.00 1.25 0.00 0.00 42.46 40.28 3hpx s ILE 140 CO -0.03 0.09 -0.13 -1.58 0.24 0.00 0.00 174.94 173.53 3hpx s GLN 141 N -2.02 3.35 -0.03 0.37 0.74 0.56 -1.21 119.66 121.42 3hpx s GLN 141 Ca 0.52 -0.69 0.05 0.00 0.05 0.00 0.00 55.36 55.30 3hpx s GLN 141 Cb -0.42 -2.67 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 3hpx s GLN 141 CO 0.56 0.13 -0.18 0.14 -0.55 0.00 0.00 175.29 175.39 3hpx s VAL 142 N 0.56 2.71 -0.01 1.34 -7.23 -0.06 -0.69 120.40 117.02 3hpx s VAL 142 Ca -0.08 -0.91 -0.14 0.00 -1.81 0.00 0.00 61.98 59.04 3hpx s VAL 142 Cb -0.16 -2.04 -0.06 0.00 0.56 0.00 0.00 36.38 34.69 3hpx s VAL 142 CO 0.04 0.55 0.39 -0.22 -0.31 0.00 0.00 175.10 175.55 3hpx s LEU 143 N -0.79 4.47 -0.01 1.32 2.96 0.07 -0.35 118.68 126.35 3hpx s LEU 143 Ca 0.11 0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 54.87 3hpx s LEU 143 Cb -0.10 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.03 3hpx s LEU 143 CO 0.01 0.33 0.19 0.28 -1.32 0.00 0.00 176.35 175.83 3hpx s THR 144 N -1.08 0.07 0.74 3.68 -1.32 0.34 -4.26 115.64 113.81 3hpx s THR 144 Ca 0.23 -0.60 -0.08 0.00 -1.21 0.00 0.00 61.69 60.04 3hpx s THR 144 Cb -0.16 -0.48 0.08 0.00 -1.51 0.00 0.00 72.50 70.43 3hpx s THR 144 CO 0.13 -0.33 1.06 -1.10 -2.21 0.00 0.00 174.62 172.17 3hpx s GLN 145 N -1.29 2.01 0.00 7.08 -0.21 -1.26 -2.74 119.66 123.25 3hpx s GLN 145 Ca -0.14 -0.27 0.29 0.00 0.02 0.00 0.00 55.36 55.26 3hpx s GLN 145 Cb -0.07 -2.12 1.34 0.00 1.00 0.00 0.00 33.01 33.16 3hpx s GLN 145 CO 0.02 -1.39 1.93 0.00 -2.12 0.00 0.00 175.29 173.73 3hpx n ARG 147 N -0.99 1.95 -0.32 0.00 1.74 -1.26 -4.45 116.66 113.33 3hpx n ARG 147 Ca 0.15 0.70 0.03 0.00 -0.77 0.00 0.00 57.85 57.96 3hpx n ARG 147 Cb 0.26 -2.35 0.21 0.00 -1.02 0.00 0.00 32.46 29.56 3hpx n ARG 147 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hpx h PRO 148 N 4.36 1.07 0.00 5.56 0.13 -1.96 -1.69 132.00 139.46 3hpx h PRO 148 Ca -0.45 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 3hpx h PRO 148 Cb 1.28 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3hpx h PRO 148 CO 0.77 0.71 -0.32 1.05 -0.23 0.00 0.00 178.00 179.97 3hpx h GLU 149 N 1.10 0.00 -0.07 0.86 9.09 -1.96 -0.07 114.58 123.53 3hpx h GLU 149 Ca 0.38 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.56 3hpx h GLU 149 Cb 0.12 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.23 3hpx h GLU 149 CO -0.13 0.32 -0.87 -0.07 0.05 0.00 0.00 179.01 178.31 3hpx h LEU 150 N 0.00 0.89 -0.69 3.06 3.38 -1.67 -2.51 115.31 117.77 3hpx h LEU 150 Ca -0.00 -0.69 -0.07 0.00 0.09 0.00 0.00 57.88 57.21 3hpx h LEU 150 Cb 0.94 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3hpx h LEU 150 CO 0.04 1.45 0.17 0.40 0.09 0.00 0.00 178.44 180.59 3hpx h ILE 151 N 0.41 1.26 0.02 1.22 2.04 -1.02 -1.86 117.51 119.57 3hpx h ILE 151 Ca -0.09 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3hpx h ILE 151 Cb 1.51 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3hpx h ILE 151 CO 0.17 0.36 -0.01 -0.33 0.00 0.00 0.00 178.15 178.35 3hpx h GLU 152 N 1.03 -0.02 -0.22 2.37 5.08 -1.00 -2.34 114.58 119.48 3hpx h GLU 152 Ca 0.22 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 3hpx h GLU 152 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3hpx h GLU 152 CO 0.00 0.06 0.15 -0.09 -1.00 0.00 0.00 179.01 178.13 3hpx h ARG 153 N -0.09 0.03 -0.03 2.33 9.65 -1.39 -1.77 114.38 123.09 3hpx h ARG 153 Ca -0.00 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3hpx h ARG 153 Cb 0.09 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3hpx h ARG 153 CO 0.00 0.02 -0.01 1.15 2.80 0.00 0.00 179.97 183.93 3hpx h THR 154 N 0.03 1.32 -0.84 0.20 2.02 -1.04 -1.31 112.91 113.28 3hpx h THR 154 Ca 0.10 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 3hpx h THR 154 Cb 0.37 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.64 3hpx h THR 154 CO -0.00 0.26 0.43 -0.26 0.37 0.00 0.00 175.52 176.31 3hpx h PHE 155 N -0.31 1.19 -0.40 3.16 -1.00 -1.07 -2.80 116.94 115.71 3hpx h PHE 155 Ca 0.01 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.75 3hpx h PHE 155 Cb 0.43 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 3hpx h PHE 155 CO 0.06 0.85 0.24 1.96 -1.61 0.00 0.00 178.31 179.82 3hpx h GLN 156 N 1.19 0.48 -1.00 1.51 4.20 -1.35 -1.96 115.11 118.18 3hpx h GLN 156 Ca 0.29 -0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.20 3hpx h GLN 156 Cb 0.09 -0.11 -0.12 0.00 0.30 0.00 0.00 27.48 27.64 3hpx h GLN 156 CO -0.04 0.32 0.60 0.00 -0.67 0.00 0.00 178.83 179.03 3hpx h ALA 157 N 1.17 1.73 -0.36 3.87 0.00 -1.03 -2.44 119.26 122.20 3hpx h ALA 157 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hpx h ALA 157 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hpx h ALA 157 CO -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3hpx s SER 159 N -1.23 6.45 0.00 0.00 0.15 -0.79 -1.57 113.70 116.71 3hpx s SER 159 Ca 0.32 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.68 3hpx s SER 159 Cb 0.17 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3hpx s SER 159 CO 0.24 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.30 3hpx n GLY 160 N 4.22 3.05 3.74 9.45 0.00 -1.26 -4.97 105.19 119.43 3hpx n GLY 160 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3hpx n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpx n ALA 161 N -1.29 1.94 -0.05 4.61 0.00 -0.61 -4.93 120.51 120.18 3hpx n ALA 161 Ca 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 53.44 53.72 3hpx n ALA 161 Cb 0.00 -2.35 0.13 0.00 0.00 0.00 0.00 19.45 17.23 3hpx n ALA 161 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hpx h PRO 162 N 2.75 0.67 -2.68 0.00 0.13 -1.91 -3.37 132.00 127.58 3hpx h PRO 162 Ca -0.49 -0.26 -0.07 0.00 -0.87 0.00 0.00 66.00 64.31 3hpx h PRO 162 Cb 1.26 -0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 3hpx h PRO 162 CO 0.63 0.84 -0.00 -0.98 -0.23 0.00 0.00 178.00 178.26 3hpx s ARG 163 N -4.59 0.96 -0.22 0.86 1.70 -1.26 -1.40 118.95 115.00 3hpx s ARG 163 Ca -0.08 -0.13 -0.27 0.00 -0.47 0.00 0.00 55.73 54.78 3hpx s ARG 163 Cb 0.13 0.44 0.10 0.00 -0.57 0.00 0.00 34.95 35.05 3hpx s ARG 163 CO 0.82 -0.32 0.87 0.00 -1.08 0.00 0.00 175.30 175.58 3hpx s ALA 164 N -1.97 -1.87 -0.30 7.88 0.00 -0.71 -4.32 121.76 120.47 3hpx s ALA 164 Ca -0.08 1.79 -0.20 0.00 0.00 0.00 0.00 51.96 53.47 3hpx s ALA 164 Cb -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 3hpx s ALA 164 CO 0.02 -0.30 0.61 0.42 0.00 0.00 0.00 175.76 176.51 3hpx s ILE 165 N -0.17 4.96 -0.37 0.00 1.01 -0.35 -0.48 121.20 125.79 3hpx s ILE 165 Ca -0.01 0.82 -0.23 0.00 0.00 0.00 0.00 60.65 61.24 3hpx s ILE 165 Cb -0.03 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.47 3hpx s ILE 165 CO 0.00 -0.12 0.75 -0.69 0.00 0.00 0.00 174.94 174.88 3hpx s VAL 166 N 2.56 4.76 -0.42 2.92 1.01 0.04 -0.88 120.40 130.39 3hpx s VAL 166 Ca 0.24 0.77 -0.13 0.00 0.00 0.00 0.00 61.98 62.87 3hpx s VAL 166 Cb -0.15 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.09 3hpx s VAL 166 CO 0.12 -0.44 0.29 -2.28 0.00 0.00 0.00 175.10 172.79 3hpx s HIS 167 N 3.03 3.26 0.08 5.22 5.04 0.52 -2.01 115.29 130.43 3hpx s HIS 167 Ca 0.30 -0.97 0.04 0.00 -1.54 0.00 0.00 55.06 52.89 3hpx s HIS 167 Cb -0.13 -2.77 -0.04 0.00 0.04 0.00 0.00 32.58 29.67 3hpx s HIS 167 CO 0.17 -0.71 -0.00 -0.59 -2.34 0.00 0.00 174.74 171.26 3hpx s PHE 168 N 1.59 3.00 0.07 3.88 -0.12 -0.57 -0.50 117.98 125.32 3hpx s PHE 168 Ca 0.03 -0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 56.76 3hpx s PHE 168 Cb -0.21 -1.56 0.02 0.00 -0.63 0.00 0.00 43.02 40.64 3hpx s PHE 168 CO 0.07 0.47 0.31 1.52 -0.05 0.00 0.00 175.22 177.54 3hpx s TYR 169 N -1.27 -0.09 0.01 3.49 -0.85 -1.11 -2.68 117.35 114.85 3hpx s TYR 169 Ca 0.25 -0.13 -0.11 0.00 -0.52 0.00 0.00 57.07 56.56 3hpx s TYR 169 Cb -0.12 0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.35 3hpx s TYR 169 CO 0.17 -0.56 0.23 0.54 -1.52 0.00 0.00 175.55 174.41 3hpx s ASN 170 N -2.35 -0.07 0.04 -0.18 4.22 -1.12 -3.99 114.94 111.49 3hpx s ASN 170 Ca -0.02 -0.14 -0.30 0.00 -2.14 0.00 0.00 52.86 50.26 3hpx s ASN 170 Cb 0.01 0.28 -0.05 0.00 1.28 0.00 0.00 41.25 42.76 3hpx s ASN 170 CO -0.06 -0.47 1.22 -0.55 -2.04 0.00 0.00 177.10 175.20 3hpx s SER 171 N -1.60 7.05 0.00 3.54 0.15 -1.26 -0.99 113.70 120.59 3hpx s SER 171 Ca -0.11 2.01 0.05 0.00 0.70 0.00 0.00 55.95 58.60 3hpx s SER 171 Cb -0.05 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 3hpx s SER 171 CO 0.01 -0.51 0.78 0.35 1.20 0.00 0.00 173.24 175.07 3hpx n THR 172 N 4.07 0.29 -2.25 6.45 -2.24 -0.08 -4.75 114.28 115.77 3hpx n THR 172 Ca 0.10 -0.64 -0.35 0.00 -2.27 0.00 0.00 64.05 60.89 3hpx n THR 172 Cb 0.46 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 3hpx n THR 172 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hpx s SER 173 N -0.57 5.76 0.20 3.42 1.04 -1.26 -4.72 113.70 117.57 3hpx s SER 173 Ca 0.07 2.12 -0.19 0.00 0.48 0.00 0.00 55.95 58.43 3hpx s SER 173 Cb 0.04 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.75 3hpx s SER 173 CO 0.06 -1.19 1.59 0.40 0.98 0.00 0.00 173.24 175.07 3hpx h ILE 174 N 1.14 0.17 0.07 -1.02 2.04 -1.67 -0.45 117.51 117.79 3hpx h ILE 174 Ca -0.50 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3hpx h ILE 174 Cb 1.25 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3hpx h ILE 174 CO 0.57 0.00 -0.43 0.25 0.00 0.00 0.00 178.15 178.54 3hpx h LEU 175 N -0.12 -1.28 -1.03 1.44 5.85 -1.91 -2.59 115.31 115.67 3hpx h LEU 175 Ca 0.26 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 59.07 3hpx h LEU 175 Cb 0.55 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3hpx h LEU 175 CO -0.72 -0.48 0.06 1.56 -0.34 0.00 0.00 178.44 178.51 3hpx h GLN 176 N -0.63 0.76 -0.50 1.25 4.20 -1.86 -0.82 115.11 117.51 3hpx h GLN 176 Ca 0.03 -0.17 0.10 0.00 0.06 0.00 0.00 58.65 58.67 3hpx h GLN 176 Cb 0.68 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.26 3hpx h GLN 176 CO -0.28 0.73 -0.05 0.00 -0.67 0.00 0.00 178.83 178.57 3hpx h ARG 177 N 0.72 0.07 0.41 1.46 3.08 -1.03 0.93 114.38 120.02 3hpx h ARG 177 Ca 0.15 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3hpx h ARG 177 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hpx h ARG 177 CO 0.01 0.04 -0.20 -0.09 -1.07 0.00 0.00 179.97 178.66 3hpx h ARG 178 N 0.07 -0.54 0.00 0.04 2.43 -1.01 0.50 114.38 115.87 3hpx h ARG 178 Ca 0.25 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 3hpx h ARG 178 Cb 0.38 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hpx h ARG 178 CO -0.45 -0.25 -1.49 1.33 -1.51 0.00 0.00 179.97 177.59 3hpx n VAL 179 N -5.16 0.60 -0.12 0.20 0.24 -0.36 -3.02 118.33 110.70 3hpx n VAL 179 Ca -0.09 -0.59 -0.23 0.00 -2.04 0.00 0.00 64.34 61.40 3hpx n VAL 179 Cb 0.27 -0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 32.24 3hpx n VAL 179 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3hpx n VAL 180 N -2.60 1.52 0.38 3.34 0.31 -0.10 -4.68 118.33 116.50 3hpx n VAL 180 Ca -0.06 -0.19 0.11 0.00 -0.01 0.00 0.00 64.34 64.20 3hpx n VAL 180 Cb 0.66 -2.04 -0.10 0.00 -0.91 0.00 0.00 33.84 31.45 3hpx n VAL 180 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hpx n PHE 181 N -4.34 0.13 -4.09 3.52 3.01 0.13 -4.98 117.46 110.84 3hpx n PHE 181 Ca -0.40 0.04 -0.29 0.00 1.01 0.00 0.00 57.45 57.81 3hpx n PHE 181 Cb 0.74 -0.40 -0.05 0.00 -0.01 0.00 0.00 39.48 39.77 3hpx n PHE 181 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hpx n ARG 182 N -2.03 -2.15 -4.01 -1.08 1.74 0.13 -4.93 116.66 104.32 3hpx n ARG 182 Ca -0.00 0.27 -0.08 0.00 -0.77 0.00 0.00 57.85 57.27 3hpx n ARG 182 Cb 0.48 -4.05 -0.09 0.00 -1.02 0.00 0.00 32.46 27.79 3hpx n ARG 182 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hpx s ALA 183 N -4.09 0.26 0.69 7.54 0.00 -0.95 -5.04 121.76 120.16 3hpx s ALA 183 Ca 0.04 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3hpx s ALA 183 Cb -0.02 0.43 0.12 0.00 0.00 0.00 0.00 23.12 23.64 3hpx s ALA 183 CO 0.93 -0.44 0.95 0.54 0.00 0.00 0.00 175.76 177.74 3hpx s ASN 184 N -2.91 4.53 0.13 0.00 4.22 -1.26 -4.56 114.94 115.08 3hpx s ASN 184 Ca 0.08 -0.44 -0.19 0.00 -2.14 0.00 0.00 52.86 50.17 3hpx s ASN 184 Cb 0.07 0.01 -0.04 0.00 1.28 0.00 0.00 41.25 42.56 3hpx s ASN 184 CO -0.09 -1.73 1.77 0.03 -2.04 0.00 0.00 177.10 175.03 3hpx h ARG 185 N -0.37 0.24 -0.06 3.55 3.08 -1.99 -1.76 114.38 117.07 3hpx h ARG 185 Ca -0.35 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.69 3hpx h ARG 185 Cb 1.27 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3hpx h ARG 185 CO 0.41 0.16 -0.00 0.00 -1.07 0.00 0.00 179.97 179.46 3hpx h ALA 186 N 1.11 0.05 -0.35 0.04 0.00 -1.99 -0.90 119.26 117.22 3hpx h ALA 186 Ca 0.09 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hpx h ALA 186 Cb 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hpx h ALA 186 CO -0.06 -0.48 0.17 1.49 0.00 0.00 0.00 179.25 180.37 3hpx h GLU 187 N 0.02 0.34 -0.48 0.00 4.81 -1.93 0.11 114.58 117.44 3hpx h GLU 187 Ca 0.03 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3hpx h GLU 187 Cb 0.03 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3hpx h GLU 187 CO -0.05 0.23 0.01 0.28 -0.73 0.00 0.00 179.01 178.74 3hpx h VAL 188 N 0.35 1.24 -0.38 0.32 2.07 -1.20 -2.14 116.25 116.51 3hpx h VAL 188 Ca 0.15 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3hpx h VAL 188 Cb 0.06 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3hpx h VAL 188 CO -0.11 0.35 0.12 -0.61 0.02 0.00 0.00 177.57 177.35 3hpx h GLN 189 N 0.74 0.59 -0.77 1.57 4.15 -0.76 -2.88 115.11 117.75 3hpx h GLN 189 Ca 0.15 -0.13 0.13 0.00 0.77 0.00 0.00 58.65 59.57 3hpx h GLN 189 Cb 0.44 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 3hpx h GLN 189 CO 0.02 0.60 0.51 0.00 -1.93 0.00 0.00 178.83 178.03 3hpx h ALA 190 N 0.97 1.98 -0.16 3.38 0.00 -0.52 -0.08 119.26 124.82 3hpx h ALA 190 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hpx h ALA 190 Cb 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hpx h ALA 190 CO -0.00 -0.17 -0.08 0.82 0.00 0.00 0.00 179.25 179.81 3hpx h ILE 191 N 0.53 0.73 -0.25 0.00 2.04 -1.18 0.35 117.51 119.73 3hpx h ILE 191 Ca 0.37 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.23 3hpx h ILE 191 Cb 0.71 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3hpx h ILE 191 CO -0.13 0.00 0.14 0.00 0.00 0.00 0.00 178.15 178.16 3hpx h ALA 192 N 1.06 0.32 -0.23 1.87 0.00 -1.22 -1.03 119.26 120.04 3hpx h ALA 192 Ca 0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3hpx h ALA 192 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hpx h ALA 192 CO -0.20 -0.16 -0.44 1.79 0.00 0.00 0.00 179.25 180.23 3hpx h THR 193 N 0.30 1.30 -0.47 0.00 1.35 -0.90 -0.64 112.91 113.86 3hpx h THR 193 Ca 0.09 -1.62 -0.10 0.00 -0.55 0.00 0.00 66.41 64.23 3hpx h THR 193 Cb 0.04 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 3hpx h THR 193 CO -0.02 0.51 -0.11 0.44 -0.25 0.00 0.00 175.52 176.10 3hpx h ASP 194 N 0.46 0.84 -0.47 5.36 3.32 -0.29 -1.73 116.42 123.92 3hpx h ASP 194 Ca 0.03 -0.26 0.09 0.00 0.02 0.00 0.00 57.03 56.92 3hpx h ASP 194 Cb 0.95 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.19 3hpx h ASP 194 CO 0.08 0.97 -0.05 1.23 -1.72 0.00 0.00 179.24 179.76 3hpx h GLY 195 N 0.97 0.42 1.00 2.75 0.00 -0.98 -2.19 103.07 105.04 3hpx h GLY 195 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3hpx h GLY 195 CO 0.04 -0.15 0.26 0.00 0.00 0.00 0.00 176.54 176.69 3hpx h ALA 196 N 1.44 0.51 -0.50 3.60 0.00 -0.69 -1.58 119.26 122.03 3hpx h ALA 196 Ca 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3hpx h ALA 196 Cb 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3hpx h ALA 196 CO -0.43 -0.03 0.28 0.00 0.00 0.00 0.00 179.25 179.08 3hpx h ARG 197 N 0.54 0.55 -0.59 0.00 3.08 -1.19 -1.46 114.38 115.30 3hpx h ARG 197 Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hpx h ARG 197 Cb -0.05 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3hpx h ARG 197 CO -0.03 0.36 0.37 -0.22 -1.07 0.00 0.00 179.97 179.38 3hpx h LYS 198 N 0.56 0.79 -0.69 0.04 1.63 -1.23 0.95 116.57 118.62 3hpx h LYS 198 Ca 0.21 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 3hpx h LYS 198 Cb 0.06 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 3hpx h LYS 198 CO -0.11 0.55 0.40 0.00 -3.45 0.00 0.00 179.45 176.84 3hpx h VAL 200 N 0.94 0.98 -0.17 0.00 2.07 -0.91 -0.71 116.25 118.45 3hpx h VAL 200 Ca 0.25 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.71 3hpx h VAL 200 Cb 0.00 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3hpx h VAL 200 CO -0.04 0.05 -0.01 -0.08 0.02 0.00 0.00 177.57 177.51 3hpx h GLU 201 N 0.26 0.04 -0.92 1.57 4.81 -0.42 -2.52 114.58 117.41 3hpx h GLU 201 Ca 0.11 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hpx h GLU 201 Cb 0.04 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3hpx h GLU 201 CO -0.09 0.03 0.59 1.96 -0.73 0.00 0.00 179.01 180.77 3hpx h GLN 202 N 0.05 1.23 -0.26 1.92 1.08 -0.66 -2.36 115.11 116.11 3hpx h GLN 202 Ca 0.08 -0.09 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 3hpx h GLN 202 Cb 0.10 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 3hpx h GLN 202 CO -0.14 0.83 -0.41 0.00 -0.95 0.00 0.00 178.83 178.16 3hpx h ALA 203 N 1.39 0.79 0.00 3.87 0.00 -1.02 -1.66 119.26 122.63 3hpx h ALA 203 Ca 0.33 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hpx h ALA 203 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hpx h ALA 203 CO -0.07 0.65 -0.13 0.00 0.00 0.00 0.00 179.25 179.71 3hpx h ALA 204 N 1.03 1.59 0.00 0.00 0.00 -1.23 -2.41 119.26 118.24 3hpx h ALA 204 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hpx h ALA 204 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hpx h ALA 204 CO 0.08 0.16 0.00 1.57 0.00 0.00 0.00 179.25 181.06 3hpx h LYS 205 N 0.00 0.00 -2.60 0.00 2.10 -0.77 -3.39 116.57 111.90 3hpx h LYS 205 Ca -0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 3hpx h LYS 205 Cb 0.26 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 31.17 3hpx h LYS 205 CO 0.02 0.00 -0.64 0.66 -2.00 0.00 0.00 179.45 177.49 3hpx n TYR 206 N -2.60 2.94 -0.90 0.07 4.02 -0.91 -5.11 117.16 114.68 3hpx n TYR 206 Ca 0.04 -4.14 -0.30 0.00 -0.01 0.00 0.00 57.90 53.49 3hpx n TYR 206 Cb 0.41 -0.52 0.16 0.00 -0.02 0.00 0.00 39.34 39.36 3hpx n TYR 206 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3hpx s PRO 207 N -1.78 1.02 0.00 -0.72 0.04 -1.26 -3.81 135.00 128.48 3hpx s PRO 207 Ca 0.32 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3hpx s PRO 207 Cb 0.06 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.84 3hpx s PRO 207 CO -0.10 -2.52 0.00 0.41 0.04 0.00 0.00 177.00 174.83 3hpx n GLY 208 N -0.28 2.52 3.71 0.56 0.00 -1.26 -4.99 105.19 105.45 3hpx n GLY 208 Ca 0.09 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3hpx n GLY 208 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hpx s THR 209 N 0.00 2.84 -0.95 2.61 2.01 -1.25 -4.91 115.64 115.99 3hpx s THR 209 Ca 0.00 0.54 -0.24 0.00 0.31 0.00 0.00 61.69 62.30 3hpx s THR 209 Cb 0.00 -3.35 0.03 0.00 0.01 0.00 0.00 72.50 69.19 3hpx s THR 209 CO 0.00 0.03 1.52 0.00 -0.69 0.00 0.00 174.62 175.48 3hpx s GLN 210 N 1.50 3.35 0.02 4.92 0.00 -0.49 -4.94 119.66 124.02 3hpx s GLN 210 Ca 0.70 -0.83 -0.30 0.00 -0.00 0.00 0.00 55.36 54.93 3hpx s GLN 210 Cb -0.42 -5.13 -0.04 0.00 0.00 0.00 0.00 33.01 27.42 3hpx s GLN 210 CO 0.31 -2.40 1.10 -1.58 0.00 0.00 0.00 175.29 172.72 3hpx s TRP 211 N 5.99 3.52 0.19 9.60 0.52 -1.26 -1.75 118.94 135.75 3hpx s TRP 211 Ca 0.49 1.48 0.09 0.00 0.02 0.00 0.00 56.10 58.18 3hpx s TRP 211 Cb -0.02 -3.28 -0.04 0.00 -1.15 0.00 0.00 33.47 28.97 3hpx s TRP 211 CO -0.04 -0.70 -0.18 1.03 0.02 0.00 0.00 176.95 177.07 3hpx s ARG 212 N 1.13 1.35 0.15 4.98 0.52 0.37 -4.94 118.95 122.50 3hpx s ARG 212 Ca 0.55 -1.49 0.11 0.00 -0.52 0.00 0.00 55.73 54.39 3hpx s ARG 212 Cb -0.25 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.79 3hpx s ARG 212 CO 0.28 0.27 -0.24 -0.06 0.02 0.00 0.00 175.30 175.57 3hpx s PHE 213 N -2.21 2.35 -0.02 -0.53 0.40 -1.26 -0.78 117.98 115.92 3hpx s PHE 213 Ca 0.19 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 3hpx s PHE 213 Cb -0.05 -1.23 0.01 0.00 0.51 0.00 0.00 43.02 42.27 3hpx s PHE 213 CO 0.08 0.40 -0.01 -2.00 0.70 0.00 0.00 175.22 174.39 3hpx s GLU 214 N -2.30 0.21 -0.08 0.44 2.12 -0.85 -1.07 118.70 117.17 3hpx s GLU 214 Ca 0.17 0.01 0.04 0.00 0.36 0.00 0.00 54.97 55.55 3hpx s GLU 214 Cb -0.09 -0.32 0.00 0.00 0.26 0.00 0.00 34.13 33.98 3hpx s GLU 214 CO 0.08 -0.05 -0.19 -0.47 -0.54 0.00 0.00 175.26 174.09 3hpx s TYR 215 N 0.52 2.02 -0.12 5.30 5.04 0.09 -1.51 117.35 128.69 3hpx s TYR 215 Ca -0.05 -0.76 0.03 0.00 -2.44 0.00 0.00 57.07 53.86 3hpx s TYR 215 Cb -0.08 -1.39 0.01 0.00 0.35 0.00 0.00 41.96 40.85 3hpx s TYR 215 CO -0.01 -0.32 -0.23 -1.12 -1.34 0.00 0.00 175.55 172.53 3hpx s SER 216 N 0.38 3.09 -0.86 4.32 0.01 -1.09 -1.25 113.70 118.29 3hpx s SER 216 Ca -0.14 -0.58 -0.25 0.00 1.31 0.00 0.00 55.95 56.29 3hpx s SER 216 Cb -0.16 -1.42 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 3hpx s SER 216 CO 0.06 0.12 1.71 -2.16 0.41 0.00 0.00 173.24 173.37 3hpx s PRO 217 N 0.60 2.93 0.45 12.44 0.04 -1.25 -2.79 135.00 147.42 3hpx s PRO 217 Ca -0.13 -0.34 -0.24 0.00 0.04 0.00 0.00 61.00 60.33 3hpx s PRO 217 Cb -0.17 -4.90 -0.07 0.00 0.04 0.00 0.00 34.50 29.40 3hpx s PRO 217 CO 0.03 -2.78 1.27 -2.00 0.04 0.00 0.00 177.00 173.56 3hpx s GLU 218 N 6.30 3.72 -1.23 4.56 -6.30 -0.16 -1.98 118.70 123.60 3hpx s GLU 218 Ca 0.58 2.05 -0.07 0.00 -2.50 0.00 0.00 54.97 55.03 3hpx s GLU 218 Cb -0.06 -2.53 0.01 0.00 0.00 0.00 0.00 34.13 31.54 3hpx s GLU 218 CO 0.03 -0.66 1.07 0.43 0.02 0.00 0.00 175.26 176.15 3hpx n SER 219 N -0.32 -5.34 -0.11 -1.70 7.64 -1.26 -0.90 113.62 111.63 3hpx n SER 219 Ca 0.06 -0.52 0.07 0.00 1.01 0.00 0.00 58.87 59.50 3hpx n SER 219 Cb 0.45 -4.73 0.40 0.00 -1.01 0.00 0.00 64.21 59.33 3hpx n SER 219 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3hpx h TYR 220 N -2.38 0.62 0.00 1.43 3.20 -1.44 -1.39 116.97 117.02 3hpx h TYR 220 Ca -0.53 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.35 3hpx h TYR 220 Cb 1.34 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3hpx h TYR 220 CO 0.45 0.34 0.00 1.79 -1.64 0.00 0.00 178.16 179.11 3hpx h THR 221 N 0.63 0.00 -0.63 1.81 1.35 -1.87 -1.53 112.91 112.66 3hpx h THR 221 Ca 0.26 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3hpx h THR 221 Cb 0.21 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3hpx h THR 221 CO -0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 3hpx n GLY 222 N 0.25 2.40 3.46 5.82 0.00 -0.53 -4.95 105.19 111.63 3hpx n GLY 222 Ca 0.01 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 3hpx n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hpx s THR 223 N -1.58 2.86 0.25 2.61 2.01 -0.58 -1.76 115.64 119.46 3hpx s THR 223 Ca 0.47 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 3hpx s THR 223 Cb 0.28 -2.15 -0.10 0.00 0.01 0.00 0.00 72.50 70.54 3hpx s THR 223 CO 0.26 0.47 1.43 -1.61 -0.69 0.00 0.00 174.62 174.48 3hpx s GLU 224 N -1.06 4.27 0.19 4.92 8.01 -1.26 -4.87 118.70 128.89 3hpx s GLU 224 Ca 0.13 2.30 -0.12 0.00 0.01 0.00 0.00 54.97 57.28 3hpx s GLU 224 Cb -0.11 -3.11 0.12 0.00 -4.31 0.00 0.00 34.13 26.73 3hpx s GLU 224 CO 0.03 -0.41 1.84 -0.07 0.01 0.00 0.00 175.26 176.66 3hpx h LEU 225 N 4.96 0.63 -0.99 1.80 3.38 -1.97 0.19 115.31 123.31 3hpx h LEU 225 Ca -0.46 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.60 3hpx h LEU 225 Cb 1.22 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 3hpx h LEU 225 CO 0.77 0.45 0.63 -0.33 0.09 0.00 0.00 178.44 180.05 3hpx h GLU 226 N 0.76 1.02 -0.19 1.13 5.08 -2.00 -1.03 114.58 119.34 3hpx h GLU 226 Ca 0.23 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.32 3hpx h GLU 226 Cb -0.03 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.00 3hpx h GLU 226 CO -0.08 0.67 -0.72 -0.92 -1.00 0.00 0.00 179.01 176.97 3hpx h TYR 227 N 1.05 1.08 -0.29 4.33 -0.00 -1.75 -1.66 116.97 119.71 3hpx h TYR 227 Ca 0.47 -0.45 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 3hpx h TYR 227 Cb 0.36 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 36.90 3hpx h TYR 227 CO -0.01 1.28 0.19 0.00 -0.00 0.00 0.00 178.16 179.63 3hpx h ALA 228 N 0.60 0.37 -0.33 1.82 0.00 -0.45 -1.55 119.26 119.72 3hpx h ALA 228 Ca -0.03 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hpx h ALA 228 Cb 1.34 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3hpx h ALA 228 CO 0.15 -0.16 0.00 -0.22 0.00 0.00 0.00 179.25 179.02 3hpx h LYS 229 N 0.40 0.09 -0.60 0.00 3.64 -1.21 -1.96 116.57 116.94 3hpx h LYS 229 Ca 0.11 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3hpx h LYS 229 Cb -0.05 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 3hpx h LYS 229 CO -0.02 0.06 0.29 1.96 -2.27 0.00 0.00 179.45 179.47 3hpx h GLN 230 N 0.10 0.52 -0.10 1.90 4.20 -1.02 0.12 115.11 120.82 3hpx h GLN 230 Ca 0.16 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 3hpx h GLN 230 Cb 0.22 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3hpx h GLN 230 CO -0.27 0.35 -0.05 0.28 -0.67 0.00 0.00 178.83 178.47 3hpx h VAL 231 N 0.54 1.32 0.24 -0.54 2.07 -1.16 -1.22 116.25 117.50 3hpx h VAL 231 Ca 0.28 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3hpx h VAL 231 Cb 0.24 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3hpx h VAL 231 CO -0.21 0.30 -0.12 0.00 0.02 0.00 0.00 177.57 177.56 3hpx h ASP 233 N -0.32 -0.14 -0.40 0.00 3.45 -0.76 0.18 116.42 118.42 3hpx h ASP 233 Ca -0.03 0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.54 3hpx h ASP 233 Cb 0.25 0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.26 3hpx h ASP 233 CO 0.05 -0.10 0.07 0.00 -1.57 0.00 0.00 179.24 177.69 3hpx h ALA 234 N 1.63 0.53 -0.40 3.45 0.00 -0.64 -0.63 119.26 123.19 3hpx h ALA 234 Ca 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hpx h ALA 234 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hpx h ALA 234 CO -0.56 0.23 0.23 0.28 0.00 0.00 0.00 179.25 179.43 3hpx h VAL 235 N 0.51 1.14 -0.44 0.00 2.07 -0.22 -2.60 116.25 116.72 3hpx h VAL 235 Ca 0.12 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3hpx h VAL 235 Cb 0.36 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3hpx h VAL 235 CO 0.01 0.15 0.17 1.23 0.02 0.00 0.00 177.57 179.15 3hpx h GLY 236 N 0.52 0.58 -0.15 2.17 0.00 -0.49 -1.99 103.07 103.71 3hpx h GLY 236 Ca 0.14 -0.11 0.19 0.00 0.00 0.00 0.00 47.33 47.56 3hpx h GLY 236 CO -0.02 0.04 0.30 0.83 0.00 0.00 0.00 176.54 177.69 3hpx h GLU 237 N 0.36 0.34 0.01 4.80 4.39 -0.74 -0.60 114.58 123.13 3hpx h GLU 237 Ca 0.20 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 3hpx h GLU 237 Cb 0.17 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3hpx h GLU 237 CO -0.19 0.22 -0.01 0.28 -1.16 0.00 0.00 179.01 178.16 3hpx h VAL 238 N 0.35 1.32 -0.11 3.13 2.07 -1.10 -3.31 116.25 118.60 3hpx h VAL 238 Ca 0.50 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 3hpx h VAL 238 Cb 0.90 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3hpx h VAL 238 CO -0.52 0.26 -0.33 0.40 0.02 0.00 0.00 177.57 177.40 3hpx h ILE 239 N -0.45 1.27 -5.79 4.57 1.08 -1.14 -3.48 117.51 113.57 3hpx h ILE 239 Ca -0.00 -1.30 -0.33 0.00 -0.39 0.00 0.00 64.86 62.84 3hpx h ILE 239 Cb 0.44 1.55 0.15 0.00 -3.07 0.00 0.00 36.82 35.88 3hpx h ILE 239 CO 0.00 0.39 -0.89 0.00 -0.69 0.00 0.00 178.15 176.96 3hpx n ALA 240 N -2.48 -2.48 -1.52 1.87 0.00 -0.26 -4.99 120.51 110.65 3hpx n ALA 240 Ca -0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 3hpx n ALA 240 Cb 0.41 -4.92 0.05 0.00 0.00 0.00 0.00 19.45 15.00 3hpx n ALA 240 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hpx s PRO 241 N -5.11 2.73 0.24 0.00 0.04 -1.26 -5.05 135.00 126.59 3hpx s PRO 241 Ca 0.44 1.53 0.06 0.00 0.04 0.00 0.00 61.00 63.06 3hpx s PRO 241 Cb -0.10 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 3hpx s PRO 241 CO 0.79 -1.33 -0.07 0.95 0.04 0.00 0.00 177.00 177.38 3hpx s THR 242 N -2.15 1.50 0.40 1.26 -4.23 -0.89 -4.89 115.64 106.64 3hpx s THR 242 Ca 0.70 -2.12 0.18 0.00 -1.18 0.00 0.00 61.69 59.27 3hpx s THR 242 Cb -0.23 -2.29 0.39 0.00 1.34 0.00 0.00 72.50 71.71 3hpx s THR 242 CO 0.40 -0.41 1.78 -0.65 -0.54 0.00 0.00 174.62 175.20 3hpx h PRO 243 N 2.42 0.40 0.00 3.99 0.11 -1.87 -0.70 132.00 136.35 3hpx h PRO 243 Ca -0.39 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 3hpx h PRO 243 Cb 1.22 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3hpx h PRO 243 CO 0.65 0.26 -0.63 0.93 -0.21 0.00 0.00 178.00 179.00 3hpx h GLU 244 N 0.41 0.00 -2.10 1.05 3.07 -1.96 -3.38 114.58 111.66 3hpx h GLU 244 Ca 0.58 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.86 3hpx h GLU 244 Cb 1.44 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.94 3hpx h GLU 244 CO -0.28 0.63 -0.83 0.54 -1.40 0.00 0.00 179.01 177.67 3hpx n ARG 245 N -3.58 1.72 -1.45 2.33 3.00 -0.37 -5.13 116.66 113.17 3hpx n ARG 245 Ca -0.00 -4.02 -0.30 0.00 -0.01 0.00 0.00 57.85 53.52 3hpx n ARG 245 Cb 0.67 -1.79 0.08 0.00 0.00 0.00 0.00 32.46 31.43 3hpx n ARG 245 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3hpx s PRO 246 N -1.94 2.29 0.05 5.56 0.04 -0.61 -2.10 135.00 138.28 3hpx s PRO 246 Ca 0.38 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 3hpx s PRO 246 Cb 0.17 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 3hpx s PRO 246 CO -0.06 -1.54 0.23 -1.50 0.04 0.00 0.00 177.00 174.17 3hpx s ILE 247 N -3.04 5.36 -0.25 0.56 2.07 -0.80 -4.57 121.20 120.54 3hpx s ILE 247 Ca 0.60 -0.21 -0.16 0.00 -1.41 0.00 0.00 60.65 59.47 3hpx s ILE 247 Cb -0.15 -3.60 -0.03 0.00 0.13 0.00 0.00 42.46 38.81 3hpx s ILE 247 CO 0.55 0.20 0.43 -0.63 -1.91 0.00 0.00 174.94 173.59 3hpx s ILE 248 N -1.45 5.14 -0.39 2.00 1.01 -0.23 0.60 121.20 127.87 3hpx s ILE 248 Ca 0.33 0.72 -0.14 0.00 0.00 0.00 0.00 60.65 61.55 3hpx s ILE 248 Cb -0.13 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.60 3hpx s ILE 248 CO 0.24 0.15 0.28 -0.36 0.00 0.00 0.00 174.94 175.24 3hpx s PHE 249 N 2.01 3.24 -0.21 3.97 2.99 -0.62 -0.74 117.98 128.63 3hpx s PHE 249 Ca 0.18 -0.47 -0.08 0.00 0.00 0.00 0.00 56.93 56.56 3hpx s PHE 249 Cb -0.16 -2.55 -0.04 0.00 0.00 0.00 0.00 43.02 40.27 3hpx s PHE 249 CO 0.09 -0.52 0.09 1.21 -0.00 0.00 0.00 175.22 176.09 3hpx s ASN 250 N 1.69 5.69 -0.59 1.36 2.47 -0.38 -0.81 114.94 124.36 3hpx s ASN 250 Ca 0.05 0.05 -0.01 0.00 0.42 0.00 0.00 52.86 53.37 3hpx s ASN 250 Cb -0.18 -2.00 0.15 0.00 -1.45 0.00 0.00 41.25 37.77 3hpx s ASN 250 CO 0.10 0.12 0.39 -0.76 -3.72 0.00 0.00 177.10 173.23 3hpx s LEU 251 N 0.71 5.04 0.13 3.21 1.43 -0.44 -3.97 118.68 124.80 3hpx s LEU 251 Ca 0.05 -2.85 -0.28 0.00 -1.03 0.00 0.00 54.13 50.01 3hpx s LEU 251 Cb -0.13 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 3hpx s LEU 251 CO 0.02 -0.34 0.88 -2.16 0.23 0.00 0.00 176.35 174.97 3hpx s PRO 252 N -0.06 4.66 -1.34 1.29 0.04 -1.26 -3.46 135.00 134.87 3hpx s PRO 252 Ca 0.17 1.31 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 3hpx s PRO 252 Cb -0.21 -3.34 0.09 0.00 0.04 0.00 0.00 34.50 31.08 3hpx s PRO 252 CO -0.03 0.34 1.89 0.00 0.04 0.00 0.00 177.00 179.24 3hpx n ALA 253 N 2.37 4.65 -0.14 8.56 0.00 0.32 -3.52 120.51 132.75 3hpx n ALA 253 Ca -0.01 -4.01 -0.07 0.00 0.00 0.00 0.00 53.44 49.35 3hpx n ALA 253 Cb 0.49 -3.38 -0.01 0.00 0.00 0.00 0.00 19.45 16.55 3hpx n ALA 253 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hpx h THR 254 N 4.52 0.22 -3.26 0.00 2.02 -1.92 -2.49 112.91 112.01 3hpx h THR 254 Ca 0.46 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 67.01 3hpx h THR 254 Cb 0.74 0.22 -0.16 0.00 -1.74 0.00 0.00 68.15 67.21 3hpx h THR 254 CO 1.61 0.00 -0.58 -0.69 0.37 0.00 0.00 175.52 176.23 3hpx s VAL 255 N -6.00 4.63 -0.32 3.16 1.01 -1.26 -4.83 120.40 116.79 3hpx s VAL 255 Ca -0.15 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 3hpx s VAL 255 Cb 0.14 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3hpx s VAL 255 CO 0.68 0.49 1.50 -0.70 0.00 0.00 0.00 175.10 177.08 3hpx s GLU 256 N 0.16 3.68 -0.05 2.72 2.12 -1.20 -4.81 118.70 121.31 3hpx s GLU 256 Ca 0.04 1.29 0.15 0.00 0.36 0.00 0.00 54.97 56.81 3hpx s GLU 256 Cb -0.12 -4.02 -0.23 0.00 0.26 0.00 0.00 34.13 30.01 3hpx s GLU 256 CO 0.01 -1.43 0.28 -1.33 -0.54 0.00 0.00 175.26 172.25 3hpx n MET 257 N 7.84 0.74 -2.96 4.30 2.81 -1.26 -4.31 117.12 124.29 3hpx n MET 257 Ca 0.18 -0.11 -0.08 0.00 -1.81 0.00 0.00 57.70 55.87 3hpx n MET 257 Cb 0.47 -1.38 -0.01 0.00 -0.71 0.00 0.00 33.22 31.59 3hpx n MET 257 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3hpx n THR 258 N -2.18 0.00 -1.85 2.03 5.66 -1.26 -4.89 114.28 111.78 3hpx n THR 258 Ca -0.08 -0.95 -0.36 0.00 -3.05 0.00 0.00 64.05 59.61 3hpx n THR 258 Cb 0.55 0.66 0.05 0.00 -1.55 0.00 0.00 70.33 70.05 3hpx n THR 258 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hpx s THR 259 N -2.60 2.39 0.44 1.09 -4.23 -1.26 -4.87 115.64 106.61 3hpx s THR 259 Ca 0.15 0.24 0.14 0.00 -1.18 0.00 0.00 61.69 61.05 3hpx s THR 259 Cb -0.01 -3.06 0.18 0.00 1.34 0.00 0.00 72.50 70.95 3hpx s THR 259 CO 0.11 -0.06 1.98 1.55 -0.54 0.00 0.00 174.62 177.66 3hpx h PRO 260 N 0.63 0.01 -0.94 3.99 0.13 -1.93 -2.24 132.00 131.65 3hpx h PRO 260 Ca -0.50 -0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.74 3hpx h PRO 260 Cb 1.31 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 3hpx h PRO 260 CO 0.54 0.20 0.60 -2.95 -0.23 0.00 0.00 178.00 176.16 3hpx h ASN 261 N 0.01 0.84 -0.03 1.44 -1.07 -1.92 -0.57 115.58 114.27 3hpx h ASN 261 Ca -0.00 0.03 -0.23 0.00 0.07 0.00 0.00 56.30 56.17 3hpx h ASN 261 Cb 0.34 -0.14 0.01 0.00 -2.07 0.00 0.00 38.32 36.47 3hpx h ASN 261 CO 0.03 0.47 -0.86 0.58 0.07 0.00 0.00 177.43 177.71 3hpx h VAL 262 N 0.91 1.30 -0.19 6.14 2.07 -1.77 0.41 116.25 125.12 3hpx h VAL 262 Ca 0.45 -2.10 0.04 0.00 0.82 0.00 0.00 66.70 65.91 3hpx h VAL 262 Cb 0.48 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 3hpx h VAL 262 CO -0.21 0.65 -0.05 0.22 0.02 0.00 0.00 177.57 178.20 3hpx h TYR 263 N 0.45 -0.10 -0.82 1.57 3.20 -1.44 -2.10 116.97 117.74 3hpx h TYR 263 Ca -0.07 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.82 3hpx h TYR 263 Cb 1.49 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.79 3hpx h TYR 263 CO 0.08 -0.08 0.54 0.00 -1.64 0.00 0.00 178.16 177.06 3hpx h ALA 264 N 1.19 1.03 -0.66 1.82 0.00 -0.98 -1.70 119.26 119.96 3hpx h ALA 264 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hpx h ALA 264 Cb 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3hpx h ALA 264 CO -0.19 0.44 0.40 -0.44 0.00 0.00 0.00 179.25 179.46 3hpx h ASP 265 N 1.10 0.64 -0.90 0.00 3.32 -0.82 -0.58 116.42 119.19 3hpx h ASP 265 Ca 0.30 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3hpx h ASP 265 Cb -0.13 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 3hpx h ASP 265 CO -0.07 0.44 0.51 0.77 -1.72 0.00 0.00 179.24 179.17 3hpx h SER 266 N 0.78 1.11 -0.29 6.45 4.64 -0.94 -0.93 113.55 124.37 3hpx h SER 266 Ca 0.27 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3hpx h SER 266 Cb 0.05 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3hpx h SER 266 CO -0.12 0.88 0.04 0.40 -0.87 0.00 0.00 176.83 177.16 3hpx h ILE 267 N 1.25 1.24 -0.35 0.95 1.08 -0.79 -1.06 117.51 119.83 3hpx h ILE 267 Ca 0.32 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 3hpx h ILE 267 Cb 0.01 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 3hpx h ILE 267 CO -0.05 0.27 0.23 -0.08 -0.69 0.00 0.00 178.15 177.82 3hpx h GLU 268 N 0.29 0.47 -0.52 2.37 4.81 -1.02 0.68 114.58 121.66 3hpx h GLU 268 Ca 0.09 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3hpx h GLU 268 Cb 0.36 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 3hpx h GLU 268 CO 0.01 0.34 0.21 2.35 -0.73 0.00 0.00 179.01 181.19 3hpx h TRP 269 N 0.47 0.38 -0.68 0.92 7.01 -0.98 -0.41 115.95 122.67 3hpx h TRP 269 Ca 0.13 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 3hpx h TRP 269 Cb -0.03 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 3hpx h TRP 269 CO -0.05 0.15 0.36 0.52 -2.79 0.00 0.00 178.44 176.63 3hpx h MET 270 N 0.41 0.96 -0.29 2.65 2.86 -0.91 -0.53 114.93 120.08 3hpx h MET 270 Ca 0.24 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 3hpx h MET 270 Cb 0.23 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3hpx h MET 270 CO -0.22 0.73 -0.25 1.03 1.06 0.00 0.00 176.91 179.26 3hpx h SER 271 N 0.93 0.57 -0.34 1.22 0.87 -0.54 0.37 113.55 116.63 3hpx h SER 271 Ca 0.24 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 3hpx h SER 271 Cb 0.07 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3hpx h SER 271 CO -0.04 0.81 0.08 0.03 -0.53 0.00 0.00 176.83 177.18 3hpx h ARG 272 N 0.49 0.54 0.00 2.24 3.08 -0.95 -3.40 114.38 116.39 3hpx h ARG 272 Ca 0.07 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hpx h ARG 272 Cb 0.70 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3hpx h ARG 272 CO 0.05 0.60 -1.20 0.09 -1.07 0.00 0.00 179.97 178.45 3hpx n ASN 273 N -4.62 0.95 -4.75 7.04 4.13 -0.22 -4.98 115.26 112.81 3hpx n ASN 273 Ca -0.02 -0.50 -0.42 0.00 1.68 0.00 0.00 54.58 55.33 3hpx n ASN 273 Cb 0.20 1.33 -0.01 0.00 -1.54 0.00 0.00 39.78 39.75 3hpx n ASN 273 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3hpx n LEU 274 N -1.68 4.44 -4.76 3.41 4.77 0.13 -4.96 117.00 118.34 3hpx n LEU 274 Ca 0.00 1.16 -0.37 0.00 -0.03 0.00 0.00 56.01 56.77 3hpx n LEU 274 Cb 0.33 -1.60 0.02 0.00 -2.33 0.00 0.00 43.42 39.84 3hpx n LEU 274 CO 0.34 0.17 0.87 0.00 -1.33 0.00 0.00 177.39 177.44 3hpx s ALA 275 N -0.12 2.73 -1.31 -1.18 0.00 -1.26 -3.65 121.76 116.96 3hpx s ALA 275 Ca 0.63 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.60 3hpx s ALA 275 Cb -0.49 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.19 3hpx s ALA 275 CO 0.50 -1.06 1.02 -1.71 0.00 0.00 0.00 175.76 174.51 3hpx n ASN 276 N -1.14 -3.73 -0.06 0.00 5.15 -1.26 -4.88 115.26 109.33 3hpx n ASN 276 Ca 0.11 -0.64 0.02 0.00 -0.60 0.00 0.00 54.58 53.47 3hpx n ASN 276 Cb 0.48 -4.78 0.35 0.00 -0.53 0.00 0.00 39.78 35.30 3hpx n ASN 276 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3hpx h ARG 277 N -2.20 0.65 0.00 1.20 9.65 -1.94 0.33 114.38 122.08 3hpx h ARG 277 Ca -0.59 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.24 3hpx h ARG 277 Cb 1.36 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3hpx h ARG 277 CO 0.55 0.48 0.00 0.39 2.80 0.00 0.00 179.97 184.19 3hpx n GLU 278 N -4.42 0.36 -0.43 0.20 4.71 -1.26 -1.54 120.64 118.27 3hpx n GLU 278 Ca 0.04 0.07 0.08 0.00 -0.01 0.00 0.00 57.16 57.34 3hpx n GLU 278 Cb 0.09 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.29 3hpx n GLU 278 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3hpx n SER 279 N -1.24 3.97 -4.46 1.62 7.64 0.10 -4.19 113.62 117.05 3hpx n SER 279 Ca 0.11 -2.43 -0.33 0.00 1.01 0.00 0.00 58.87 57.23 3hpx n SER 279 Cb 0.15 -0.46 -0.13 0.00 -1.01 0.00 0.00 64.21 62.76 3hpx n SER 279 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hpx s VAL 280 N -1.79 3.39 -0.41 0.44 1.01 -0.59 -1.90 120.40 120.55 3hpx s VAL 280 Ca 0.40 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 3hpx s VAL 280 Cb 0.27 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hpx s VAL 280 CO 0.18 0.55 0.29 -0.63 0.00 0.00 0.00 175.10 175.49 3hpx s ILE 281 N -0.10 5.16 -0.39 2.22 1.01 0.20 -4.94 121.20 124.36 3hpx s ILE 281 Ca -0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 3hpx s ILE 281 Cb -0.13 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.46 3hpx s ILE 281 CO 0.03 -0.32 0.83 -0.22 0.00 0.00 0.00 174.94 175.26 3hpx s LEU 282 N 1.66 4.10 0.09 2.97 2.96 -1.26 -1.59 118.68 127.61 3hpx s LEU 282 Ca 0.05 0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 3hpx s LEU 282 Cb -0.19 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 3hpx s LEU 282 CO 0.09 -0.83 -0.13 -0.55 -1.32 0.00 0.00 176.35 173.61 3hpx s SER 283 N 1.96 4.19 -0.05 3.68 0.15 0.01 0.14 113.70 123.78 3hpx s SER 283 Ca 0.33 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.58 3hpx s SER 283 Cb -0.12 -0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 63.41 3hpx s SER 283 CO 0.20 0.20 -0.06 -0.76 1.20 0.00 0.00 173.24 174.02 3hpx s LEU 284 N -2.01 3.23 -0.40 3.45 1.43 0.90 -1.32 118.68 123.97 3hpx s LEU 284 Ca 0.19 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 3hpx s LEU 284 Cb -0.11 -1.76 0.22 0.00 0.03 0.00 0.00 46.19 44.57 3hpx s LEU 284 CO 0.11 0.34 0.45 1.57 0.23 0.00 0.00 176.35 179.05 3hpx n HIS 285 N 1.98 -0.58 -3.06 0.29 -0.00 -1.22 -0.14 115.22 112.49 3hpx n HIS 285 Ca -0.17 -3.46 -0.41 0.00 0.46 0.00 0.00 57.72 54.14 3hpx n HIS 285 Cb 0.53 -0.11 -0.06 0.00 -0.12 0.00 0.00 29.99 30.24 3hpx n HIS 285 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3hpx s PRO 286 N -0.70 4.19 0.77 1.57 0.05 -1.26 -0.52 135.00 139.10 3hpx s PRO 286 Ca 0.34 0.69 -0.07 0.00 0.05 0.00 0.00 61.00 62.01 3hpx s PRO 286 Cb 0.12 -3.61 0.12 0.00 0.05 0.00 0.00 34.50 31.18 3hpx s PRO 286 CO -0.15 -0.34 1.08 -1.01 0.05 0.00 0.00 177.00 176.64 3hpx s HIS 287 N 2.23 2.14 -0.22 0.56 3.76 -0.94 -2.35 115.29 120.48 3hpx s HIS 287 Ca 0.30 0.17 0.14 0.00 -0.15 0.00 0.00 55.06 55.52 3hpx s HIS 287 Cb -0.16 -3.36 0.51 0.00 1.11 0.00 0.00 32.58 30.68 3hpx s HIS 287 CO 0.10 -1.82 1.43 -1.71 -0.85 0.00 0.00 174.74 171.89 3hpx n ASN 288 N -3.10 3.32 -0.31 1.40 5.15 -1.01 -4.03 115.26 116.67 3hpx n ASN 288 Ca 0.12 -3.28 0.23 0.00 -0.60 0.00 0.00 54.58 51.05 3hpx n ASN 288 Cb 0.60 -0.57 0.53 0.00 -0.53 0.00 0.00 39.78 39.81 3hpx n ASN 288 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3hpx h ASP 289 N 1.40 0.40 -0.55 1.20 3.32 -1.87 0.07 116.42 120.40 3hpx h ASP 289 Ca 0.08 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3hpx h ASP 289 Cb 1.51 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.07 3hpx h ASP 289 CO 0.28 0.09 0.00 0.54 -1.72 0.00 0.00 179.24 178.43 3hpx n ARG 290 N -4.58 2.65 -1.57 3.56 1.74 -1.26 -4.96 116.66 112.25 3hpx n ARG 290 Ca 0.24 -2.38 -0.16 0.00 -0.77 0.00 0.00 57.85 54.78 3hpx n ARG 290 Cb 0.88 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 3hpx n ARG 290 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hpx n GLY 291 N 1.28 1.41 0.35 -0.13 0.00 0.01 -4.92 105.19 103.18 3hpx n GLY 291 Ca 0.20 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3hpx n GLY 291 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hpx n THR 292 N -2.70 1.99 0.06 2.61 -2.24 -1.26 -4.85 114.28 107.88 3hpx n THR 292 Ca -0.17 -2.69 -0.11 0.00 -2.27 0.00 0.00 64.05 58.81 3hpx n THR 292 Cb 0.55 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.52 3hpx n THR 292 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hpx h ALA 293 N 0.49 -0.34 -0.58 6.98 0.00 -1.87 0.05 119.26 123.99 3hpx h ALA 293 Ca -0.00 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3hpx h ALA 293 Cb 1.02 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 3hpx h ALA 293 CO 0.00 -0.75 -0.06 0.28 0.00 0.00 0.00 179.25 178.72 3hpx h VAL 294 N -0.39 0.49 -0.55 0.00 2.07 -1.90 0.01 116.25 115.98 3hpx h VAL 294 Ca 0.06 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 3hpx h VAL 294 Cb 0.47 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3hpx h VAL 294 CO -0.22 0.01 0.19 0.00 0.02 0.00 0.00 177.57 177.57 3hpx h ALA 295 N 1.54 0.72 -0.50 1.67 0.00 -1.86 -1.51 119.26 119.32 3hpx h ALA 295 Ca 0.29 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3hpx h ALA 295 Cb 0.46 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3hpx h ALA 295 CO -0.53 0.36 0.27 0.00 0.00 0.00 0.00 179.25 179.35 3hpx h ALA 296 N 1.05 0.64 -0.74 0.00 0.00 -0.71 -0.80 119.26 118.70 3hpx h ALA 296 Ca 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3hpx h ALA 296 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hpx h ALA 296 CO -0.01 -0.05 0.34 0.00 0.00 0.00 0.00 179.25 179.53 3hpx h ALA 297 N 1.25 0.96 0.10 0.00 0.00 -0.75 -0.41 119.26 120.40 3hpx h ALA 297 Ca 0.21 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3hpx h ALA 297 Cb 0.08 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hpx h ALA 297 CO -0.13 0.54 -0.87 0.93 0.00 0.00 0.00 179.25 179.73 3hpx h GLU 298 N 1.05 0.42 -0.69 0.00 5.08 -0.89 0.38 114.58 119.92 3hpx h GLU 298 Ca 0.25 -0.58 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 3hpx h GLU 298 Cb 0.15 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3hpx h GLU 298 CO -0.03 1.24 0.19 -0.07 -1.00 0.00 0.00 179.01 179.34 3hpx h LEU 299 N -0.12 1.03 -1.23 1.33 3.38 -1.22 -1.63 115.31 116.84 3hpx h LEU 299 Ca -0.14 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 3hpx h LEU 299 Cb 1.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3hpx h LEU 299 CO 0.17 0.98 -0.22 1.23 0.09 0.00 0.00 178.44 180.68 3hpx h GLY 300 N 1.02 0.26 0.95 0.83 0.00 -1.03 0.66 103.07 105.77 3hpx h GLY 300 Ca 0.22 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 3hpx h GLY 300 CO -0.00 0.17 -0.26 -2.75 0.00 0.00 0.00 176.54 173.70 3hpx h PHE 301 N 0.22 0.80 -0.08 5.60 -0.00 -0.60 -2.72 116.94 120.17 3hpx h PHE 301 Ca 0.04 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.97 57.75 3hpx h PHE 301 Cb 0.53 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.30 3hpx h PHE 301 CO 0.01 0.97 -0.06 0.00 -0.00 0.00 0.00 178.31 179.23 3hpx h ALA 302 N 0.70 1.75 0.00 2.41 0.00 -1.03 -0.66 119.26 122.44 3hpx h ALA 302 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hpx h ALA 302 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hpx h ALA 302 CO 0.07 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3hpx n ALA 303 N -2.51 1.77 0.00 0.00 0.00 0.20 -4.48 120.51 115.49 3hpx n ALA 303 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3hpx n ALA 303 Cb 0.18 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3hpx n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpx n GLY 304 N -0.22 1.01 3.66 0.00 0.00 -0.26 -3.88 105.19 105.51 3hpx n GLY 304 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3hpx n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpx s ALA 305 N -2.00 1.30 -0.02 4.61 0.00 -1.05 -4.88 121.76 119.73 3hpx s ALA 305 Ca 0.00 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.48 3hpx s ALA 305 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3hpx s ALA 305 CO 0.00 -2.83 0.08 -0.25 0.00 0.00 0.00 175.76 172.76 3hpx n ASP 306 N -4.27 3.82 -3.78 0.00 8.00 0.12 -4.83 116.55 115.61 3hpx n ASP 306 Ca 0.11 -0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 3hpx n ASP 306 Cb 0.52 1.13 -0.11 0.00 -0.02 0.00 0.00 41.12 42.64 3hpx n ASP 306 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3hpx s ARG 307 N -2.11 0.38 -0.08 -1.24 3.52 -0.96 -2.01 118.95 116.44 3hpx s ARG 307 Ca -0.01 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 3hpx s ARG 307 Cb 0.02 0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 3hpx s ARG 307 CO 0.13 -0.06 -0.06 0.42 -0.81 0.00 0.00 175.30 174.91 3hpx s ILE 308 N -0.14 0.84 -0.25 4.11 1.01 -0.44 -0.07 121.20 126.27 3hpx s ILE 308 Ca -0.03 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.19 3hpx s ILE 308 Cb -0.03 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 3hpx s ILE 308 CO 0.01 0.32 0.67 -1.61 0.00 0.00 0.00 174.94 174.33 3hpx s GLU 309 N 1.43 4.14 0.01 2.79 2.02 0.81 -1.29 118.70 128.60 3hpx s GLU 309 Ca -0.01 0.63 -0.00 0.00 0.02 0.00 0.00 54.97 55.60 3hpx s GLU 309 Cb -0.13 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.46 3hpx s GLU 309 CO -0.04 -0.41 0.02 0.41 0.02 0.00 0.00 175.26 175.26 3hpx n GLY 310 N 4.04 2.42 3.18 -1.39 0.00 -0.86 -4.49 105.19 108.09 3hpx n GLY 310 Ca 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 3hpx n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpx n LEU 312 N 0.89 3.55 -2.07 0.00 4.77 -1.26 -0.94 117.00 121.95 3hpx n LEU 312 Ca -0.18 1.06 -0.18 0.00 -0.03 0.00 0.00 56.01 56.68 3hpx n LEU 312 Cb 0.56 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 3hpx n LEU 312 CO 0.24 -0.05 -0.20 0.49 -1.33 0.00 0.00 177.39 176.54 3hpx n PHE 313 N 4.11 -0.78 -2.32 -1.77 3.01 -1.26 -3.34 117.46 115.10 3hpx n PHE 313 Ca 0.17 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.46 3hpx n PHE 313 Cb 0.32 -3.35 -0.01 0.00 -0.01 0.00 0.00 39.48 36.44 3hpx n PHE 313 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hpx n GLY 314 N -0.70 -0.32 3.77 1.37 0.00 -1.01 -4.95 105.19 103.34 3hpx n GLY 314 Ca -0.20 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 3hpx n GLY 314 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hpx s ASN 315 N -2.24 6.80 0.00 1.61 2.47 -1.21 -2.28 114.94 120.09 3hpx s ASN 315 Ca 0.00 2.39 0.00 0.00 0.42 0.00 0.00 52.86 55.67 3hpx s ASN 315 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 3hpx s ASN 315 CO 0.00 -0.49 0.00 0.61 -3.72 0.00 0.00 177.10 173.50 3hpx n GLY 316 N 0.81 2.94 3.72 1.21 0.00 -1.26 -3.36 105.19 109.25 3hpx n GLY 316 Ca 0.02 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 3hpx n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hpx n GLU 317 N -1.09 1.68 0.00 1.61 1.02 -1.26 -3.05 120.64 119.55 3hpx n GLU 317 Ca 0.00 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3hpx n GLU 317 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 3hpx n GLU 317 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hpx n ARG 318 N -0.68 0.00 0.02 3.49 1.74 -1.26 -0.15 116.66 119.82 3hpx n ARG 318 Ca 0.09 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.31 3hpx n ARG 318 Cb 0.43 0.00 0.43 0.00 -1.02 0.00 0.00 32.46 32.31 3hpx n ARG 318 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hpx n THR 319 N 0.00 0.12 -0.12 0.55 -2.24 -1.26 -5.01 114.28 106.32 3hpx n THR 319 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3hpx n THR 319 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3hpx n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hpx n GLY 320 N 1.45 -3.59 3.91 3.38 0.00 0.79 -4.61 105.19 106.52 3hpx n GLY 320 Ca 0.06 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 3hpx n GLY 320 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hpx s ASN 321 N -1.10 5.88 0.20 1.61 0.01 -0.96 -2.40 114.94 118.17 3hpx s ASN 321 Ca 0.00 0.86 -0.33 0.00 -0.71 0.00 0.00 52.86 52.68 3hpx s ASN 321 Cb 0.00 -1.97 -0.14 0.00 0.41 0.00 0.00 41.25 39.55 3hpx s ASN 321 CO 0.00 -0.88 1.40 0.55 -1.51 0.00 0.00 177.10 176.66 3hpx n VAL 322 N -2.49 0.65 -2.39 1.60 3.14 -0.99 -4.30 118.33 113.55 3hpx n VAL 322 Ca 0.03 -0.16 -0.43 0.00 -2.96 0.00 0.00 64.34 60.82 3hpx n VAL 322 Cb 0.56 -1.32 -0.02 0.00 -1.06 0.00 0.00 33.84 32.00 3hpx n VAL 322 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hpx h LEU 324 N 10.96 0.00 -0.13 0.00 3.38 -1.38 -2.37 115.31 125.76 3hpx h LEU 324 Ca -0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3hpx h LEU 324 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hpx h LEU 324 CO 1.03 0.27 -0.32 0.58 0.09 0.00 0.00 178.44 180.10 3hpx h VAL 325 N 0.00 1.37 -0.29 1.22 2.07 -1.91 -1.13 116.25 117.59 3hpx h VAL 325 Ca -0.00 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 3hpx h VAL 325 Cb 0.51 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 3hpx h VAL 325 CO 0.04 0.48 -0.01 0.74 0.02 0.00 0.00 177.57 178.83 3hpx h THR 326 N 0.05 1.26 -0.24 2.57 2.02 -1.84 0.12 112.91 116.85 3hpx h THR 326 Ca -0.00 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3hpx h THR 326 Cb 0.92 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3hpx h THR 326 CO 0.07 0.31 0.15 -0.07 0.37 0.00 0.00 175.52 176.35 3hpx h LEU 327 N 0.30 0.28 -0.01 2.58 3.38 -1.47 0.19 115.31 120.55 3hpx h LEU 327 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hpx h LEU 327 Cb 0.46 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hpx h LEU 327 CO 0.02 0.23 0.01 1.23 0.09 0.00 0.00 178.44 180.01 3hpx h GLY 328 N 0.31 0.02 2.00 0.83 0.00 -1.03 -2.86 103.07 102.34 3hpx h GLY 328 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3hpx h GLY 328 CO -0.02 0.01 -0.42 1.41 0.00 0.00 0.00 176.54 177.52 3hpx h LEU 329 N -0.01 0.00 -1.79 3.11 3.38 -0.67 -2.49 115.31 116.85 3hpx h LEU 329 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hpx h LEU 329 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hpx h LEU 329 CO -0.00 0.42 -0.15 0.78 0.09 0.00 0.00 178.44 179.58 3hpx h ASN 330 N 0.00 0.00 0.15 -0.43 2.35 -0.56 -0.84 115.58 116.25 3hpx h ASN 330 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3hpx h ASN 330 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 3hpx h ASN 330 CO 0.06 0.15 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.84 3hpx h LEU 331 N 0.00 -0.17 -0.65 1.61 3.38 -1.23 -3.34 115.31 114.91 3hpx h LEU 331 Ca -0.00 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.71 3hpx h LEU 331 Cb 0.30 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 3hpx h LEU 331 CO 0.02 0.42 0.24 0.15 0.09 0.00 0.00 178.44 179.36 3hpx h PHE 332 N -0.90 0.42 0.00 1.13 3.57 -0.89 -0.69 116.94 119.58 3hpx h PHE 332 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hpx h PHE 332 Cb 0.52 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3hpx h PHE 332 CO 0.09 0.09 0.00 -1.13 -2.23 0.00 0.00 178.31 175.13 3hpx n SER 333 N -5.00 0.00 -0.08 0.41 3.41 -0.33 -1.58 113.62 110.45 3hpx n SER 333 Ca 0.10 0.22 0.10 0.00 -0.26 0.00 0.00 58.87 59.02 3hpx n SER 333 Cb 0.31 -0.37 0.13 0.00 -0.26 0.00 0.00 64.21 64.02 3hpx n SER 333 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hpx n ARG 334 N -1.37 1.29 -0.59 4.33 5.12 -0.95 -4.99 116.66 119.50 3hpx n ARG 334 Ca 0.07 -2.52 0.00 0.00 -1.93 0.00 0.00 57.85 53.46 3hpx n ARG 334 Cb 0.17 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 3hpx n ARG 334 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hpx n GLY 335 N -1.39 0.69 3.46 -0.13 0.00 -0.61 -5.06 105.19 102.14 3hpx n GLY 335 Ca 0.15 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3hpx n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hpx s VAL 336 N -2.00 3.73 -0.13 1.61 1.01 -0.31 -4.98 120.40 119.33 3hpx s VAL 336 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3hpx s VAL 336 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3hpx s VAL 336 CO 0.00 0.49 1.67 -0.62 0.00 0.00 0.00 175.10 176.64 3hpx s ASP 337 N 0.49 6.48 0.25 3.32 2.15 -1.26 -1.64 116.67 126.46 3hpx s ASP 337 Ca -0.04 1.96 0.24 0.00 0.43 0.00 0.00 52.55 55.14 3hpx s ASP 337 Cb -0.14 -2.53 0.96 0.00 -0.30 0.00 0.00 42.92 40.91 3hpx s ASP 337 CO 0.03 -1.12 1.72 -0.81 -0.17 0.00 0.00 175.17 174.82 3hpx n PRO 338 N 7.44 0.20 -1.69 4.34 -0.04 -1.26 -4.01 135.00 139.98 3hpx n PRO 338 Ca 0.19 0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 63.92 3hpx n PRO 338 Cb 0.44 -1.87 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 3hpx n PRO 338 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hpx n GLN 339 N -2.25 -0.91 -4.08 0.54 6.02 -1.26 -4.83 117.38 110.60 3hpx n GLN 339 Ca 0.03 0.81 -0.14 0.00 -0.01 0.00 0.00 57.00 57.69 3hpx n GLN 339 Cb 0.25 -4.90 -0.13 0.00 1.02 0.00 0.00 30.24 26.48 3hpx n GLN 339 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hpx s ILE 340 N -2.52 0.38 -0.37 5.09 -1.09 -1.26 -4.78 121.20 116.65 3hpx s ILE 340 Ca 0.00 -0.50 -0.19 0.00 -2.23 0.00 0.00 60.65 57.72 3hpx s ILE 340 Cb 0.00 -0.38 0.00 0.00 -1.58 0.00 0.00 42.46 40.50 3hpx s ILE 340 CO 0.00 -0.09 0.57 -0.62 -1.23 0.00 0.00 174.94 173.57 3hpx s ASP 341 N -0.64 6.35 -0.15 3.58 2.15 -0.52 -4.90 116.67 122.54 3hpx s ASP 341 Ca -0.03 -0.03 0.18 0.00 0.43 0.00 0.00 52.55 53.10 3hpx s ASP 341 Cb -0.05 -2.30 0.35 0.00 -0.30 0.00 0.00 42.92 40.63 3hpx s ASP 341 CO -0.00 -0.57 1.22 0.49 -0.17 0.00 0.00 175.17 176.14 3hpx n PHE 342 N 5.92 0.22 0.27 -5.34 3.01 -1.26 -4.77 117.46 115.51 3hpx n PHE 342 Ca -0.03 -1.03 0.15 0.00 1.01 0.00 0.00 57.45 57.55 3hpx n PHE 342 Cb 0.49 -0.20 0.78 0.00 -0.01 0.00 0.00 39.48 40.54 3hpx n PHE 342 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hpx h SER 343 N 0.47 0.00 -2.99 4.37 0.02 -1.85 -3.24 113.55 110.33 3hpx h SER 343 Ca 0.01 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 3hpx h SER 343 Cb 1.11 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.24 3hpx h SER 343 CO 0.06 0.09 -0.70 0.21 -1.14 0.00 0.00 176.83 175.35 3hpx s ASN 344 N -5.96 3.79 0.39 3.07 3.84 -1.25 -1.99 114.94 116.82 3hpx s ASN 344 Ca -0.02 -3.51 0.14 0.00 0.21 0.00 0.00 52.86 49.67 3hpx s ASN 344 Cb 0.12 -1.26 0.78 0.00 -0.55 0.00 0.00 41.25 40.35 3hpx s ASN 344 CO 0.56 -0.13 1.85 -0.29 -2.79 0.00 0.00 177.10 176.30 3hpx h ILE 345 N 4.57 1.20 -0.22 -5.21 2.10 -1.09 -2.28 117.51 116.58 3hpx h ILE 345 Ca 0.16 -1.19 0.00 0.00 1.08 0.00 0.00 64.86 64.91 3hpx h ILE 345 Cb 0.82 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 38.18 3hpx h ILE 345 CO 0.60 0.33 0.14 -0.78 -1.08 0.00 0.00 178.15 177.37 3hpx h ASP 346 N 0.00 0.25 -0.17 2.19 -0.00 -1.89 0.10 116.42 116.90 3hpx h ASP 346 Ca -0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 57.03 57.05 3hpx h ASP 346 Cb 0.62 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.33 39.86 3hpx h ASP 346 CO 0.04 0.18 0.01 -0.08 -0.00 0.00 0.00 179.24 179.39 3hpx h GLU 347 N 0.29 0.06 -0.31 0.28 4.81 -1.80 0.18 114.58 118.09 3hpx h GLU 347 Ca 0.08 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3hpx h GLU 347 Cb -0.03 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 3hpx h GLU 347 CO -0.02 0.04 -0.06 0.82 -0.73 0.00 0.00 179.01 179.06 3hpx h ILE 348 N 0.07 0.71 -0.46 2.32 2.04 -1.33 -2.51 117.51 118.34 3hpx h ILE 348 Ca 0.08 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3hpx h ILE 348 Cb 0.09 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3hpx h ILE 348 CO -0.13 0.00 0.14 -0.09 0.00 0.00 0.00 178.15 178.07 3hpx h ARG 349 N 0.02 0.72 -0.65 2.37 2.43 -0.48 -0.18 114.38 118.62 3hpx h ARG 349 Ca 0.15 -0.16 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3hpx h ARG 349 Cb 0.22 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3hpx h ARG 349 CO -0.30 0.70 0.35 0.00 -1.51 0.00 0.00 179.97 179.21 3hpx h ARG 350 N 0.61 0.63 -0.24 0.20 3.08 -0.53 -1.00 114.38 117.13 3hpx h ARG 350 Ca 0.15 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 3hpx h ARG 350 Cb 0.28 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3hpx h ARG 350 CO -0.00 0.42 -0.16 1.15 -1.07 0.00 0.00 179.97 180.31 3hpx h THR 351 N 0.65 1.31 -0.23 2.04 2.02 -1.20 -0.85 112.91 116.66 3hpx h THR 351 Ca 0.29 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 66.24 3hpx h THR 351 Cb 0.19 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3hpx h THR 351 CO -0.18 0.40 -0.03 0.58 0.37 0.00 0.00 175.52 176.65 3hpx h VAL 352 N 0.25 0.80 -0.51 3.16 2.07 -0.81 0.14 116.25 121.35 3hpx h VAL 352 Ca 0.05 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 3hpx h VAL 352 Cb 0.69 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3hpx h VAL 352 CO 0.04 0.01 0.01 -0.33 0.02 0.00 0.00 177.57 177.32 3hpx h GLU 353 N 0.03 0.90 -0.75 1.57 5.08 -1.12 0.35 114.58 120.63 3hpx h GLU 353 Ca 0.11 -0.28 0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3hpx h GLU 353 Cb 0.15 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3hpx h GLU 353 CO -0.21 0.92 0.44 -0.92 -1.00 0.00 0.00 179.01 178.24 3hpx h TYR 354 N 0.77 0.80 0.06 4.33 3.20 -0.92 0.65 116.97 125.86 3hpx h TYR 354 Ca 0.15 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.77 3hpx h TYR 354 Cb 0.51 -0.25 0.02 0.00 1.54 0.00 0.00 36.73 38.55 3hpx h TYR 354 CO 0.04 0.38 -1.13 0.00 -1.64 0.00 0.00 178.16 175.81 3hpx n ASN 356 N -3.78 0.68 -3.74 0.00 3.02 0.07 -4.61 115.26 106.90 3hpx n ASN 356 Ca -0.11 0.28 -0.26 0.00 -0.03 0.00 0.00 54.58 54.46 3hpx n ASN 356 Cb 0.93 0.65 0.05 0.00 -0.61 0.00 0.00 39.78 40.79 3hpx n ASN 356 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hpx n GLN 357 N -2.67 -6.30 -3.73 3.52 1.13 0.22 -4.74 117.38 104.82 3hpx n GLN 357 Ca -0.04 0.69 -0.12 0.00 -1.94 0.00 0.00 57.00 55.59 3hpx n GLN 357 Cb 0.65 -5.60 -0.10 0.00 0.11 0.00 0.00 30.24 25.30 3hpx n GLN 357 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hpx s LEU 358 N -7.12 0.35 0.50 1.08 1.43 -1.24 -4.91 118.68 108.77 3hpx s LEU 358 Ca 0.48 0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 54.22 3hpx s LEU 358 Cb -0.23 1.34 -0.08 0.00 0.03 0.00 0.00 46.19 47.25 3hpx s LEU 358 CO 0.79 -0.15 0.97 -2.16 0.23 0.00 0.00 176.35 176.03 3hpx s PRO 359 N 0.52 3.99 -0.14 1.29 0.04 -1.26 -4.43 135.00 135.01 3hpx s PRO 359 Ca -0.03 0.97 -0.28 0.00 0.04 0.00 0.00 61.00 61.70 3hpx s PRO 359 Cb -0.04 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3hpx s PRO 359 CO -0.03 -0.22 0.97 0.08 0.04 0.00 0.00 177.00 177.84 3hpx s VAL 360 N -2.54 4.79 0.80 -0.36 1.01 -1.26 -5.03 120.40 117.81 3hpx s VAL 360 Ca 0.59 1.95 -0.14 0.00 0.00 0.00 0.00 61.98 64.38 3hpx s VAL 360 Cb -0.10 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.08 3hpx s VAL 360 CO 0.28 -0.03 1.20 1.57 0.00 0.00 0.00 175.10 178.12 3hpx n HIS 361 N 5.32 1.30 0.04 5.22 -0.00 -1.26 -4.76 115.22 121.08 3hpx n HIS 361 Ca 0.08 0.41 0.14 0.00 0.46 0.00 0.00 57.72 58.82 3hpx n HIS 361 Cb 0.48 -2.12 0.61 0.00 -0.12 0.00 0.00 29.99 28.85 3hpx n HIS 361 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 3hpx h GLU 362 N -0.79 0.13 -0.11 1.57 3.07 -1.95 -2.57 114.58 113.93 3hpx h GLU 362 Ca -0.47 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3hpx h GLU 362 Cb 1.30 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3hpx h GLU 362 CO 0.46 0.09 0.00 0.54 -1.40 0.00 0.00 179.01 178.70 3hpx n ARG 363 N -4.45 1.27 -1.66 2.33 1.74 -1.26 -1.12 116.66 113.51 3hpx n ARG 363 Ca 0.07 -1.46 -0.51 0.00 -0.77 0.00 0.00 57.85 55.17 3hpx n ARG 363 Cb 0.40 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 3hpx n ARG 363 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3hpx n HIS 364 N 0.67 2.00 -1.55 -1.55 -0.00 -0.97 -4.83 115.22 109.00 3hpx n HIS 364 Ca 0.09 0.39 -0.49 0.00 0.46 0.00 0.00 57.72 58.16 3hpx n HIS 364 Cb 0.34 -2.48 -0.04 0.00 -0.12 0.00 0.00 29.99 27.69 3hpx n HIS 364 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3hpx n PRO 365 N 4.37 0.91 0.00 1.57 -0.02 -1.26 -0.81 135.00 139.76 3hpx n PRO 365 Ca 0.21 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3hpx n PRO 365 Cb 0.22 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3hpx n PRO 365 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hpx n TYR 366 N 1.17 0.00 -0.02 6.00 4.01 -1.26 -4.39 117.16 122.66 3hpx n TYR 366 Ca 0.15 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.89 3hpx n TYR 366 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.21 3hpx n TYR 366 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hpx n GLY 367 N 0.00 -0.35 3.72 2.72 0.00 -1.11 -4.99 105.19 105.19 3hpx n GLY 367 Ca 0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3hpx n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpx n GLY 368 N 2.37 0.46 0.33 -0.02 0.00 0.01 -4.89 105.19 103.44 3hpx n GLY 368 Ca -0.07 -0.21 0.23 0.00 0.00 0.00 0.00 46.02 45.97 3hpx n GLY 368 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hpx h ASP 369 N 0.29 0.34 -0.31 1.61 5.19 -1.60 -2.70 116.42 119.24 3hpx h ASP 369 Ca -0.50 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3hpx h ASP 369 Cb 1.33 0.20 0.00 0.00 0.18 0.00 0.00 39.33 41.04 3hpx h ASP 369 CO 0.52 -0.20 0.00 0.18 -3.12 0.00 0.00 179.24 176.62 3hpx n LEU 370 N -5.14 3.03 0.27 1.55 4.77 -0.27 -4.61 117.00 116.60 3hpx n LEU 370 Ca 0.30 -1.53 0.13 0.00 -0.03 0.00 0.00 56.01 54.89 3hpx n LEU 370 Cb 0.96 -0.20 0.77 0.00 -2.33 0.00 0.00 43.42 42.63 3hpx n LEU 370 CO 0.07 0.67 1.01 -0.37 -1.33 0.00 0.00 177.39 177.44 3hpx h VAL 371 N 3.41 0.56 -0.39 4.08 -1.51 -1.59 -2.70 116.25 118.11 3hpx h VAL 371 Ca 0.00 -0.40 -0.13 0.00 -1.23 0.00 0.00 66.70 64.94 3hpx h VAL 371 Cb 0.82 1.26 -0.08 0.00 -2.13 0.00 0.00 31.29 31.16 3hpx h VAL 371 CO 0.00 0.09 0.04 -1.22 -1.23 0.00 0.00 177.57 175.25 3hpx n TYR 372 N -3.70 1.29 -3.96 5.19 4.02 -1.26 -5.00 117.16 113.74 3hpx n TYR 372 Ca -0.02 -1.26 -0.35 0.00 -0.01 0.00 0.00 57.90 56.26 3hpx n TYR 372 Cb 0.20 -0.46 -0.06 0.00 -0.02 0.00 0.00 39.34 39.00 3hpx n TYR 372 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3hpx s THR 373 N -3.05 5.27 -0.12 -0.72 2.01 -1.02 -0.78 115.64 117.24 3hpx s THR 373 Ca 0.45 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3hpx s THR 373 Cb 0.39 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.54 3hpx s THR 373 CO 0.06 0.46 -0.10 0.00 -0.69 0.00 0.00 174.62 174.35 3hpx s ALA 374 N -1.16 1.46 -0.09 7.40 0.00 -0.29 -4.95 121.76 124.14 3hpx s ALA 374 Ca 0.21 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.63 3hpx s ALA 374 Cb -0.12 -0.91 -0.24 0.00 0.00 0.00 0.00 23.12 21.85 3hpx s ALA 374 CO 0.11 -0.34 0.50 1.19 0.00 0.00 0.00 175.76 177.22 3hpx n PHE 375 N 4.77 0.91 -2.14 0.00 3.01 -1.26 -1.37 117.46 121.38 3hpx n PHE 375 Ca -0.15 0.29 -0.42 0.00 1.01 0.00 0.00 57.45 58.18 3hpx n PHE 375 Cb 0.50 -1.15 -0.03 0.00 -0.01 0.00 0.00 39.48 38.79 3hpx n PHE 375 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3hpx s SER 376 N -6.25 6.80 0.21 4.37 0.15 -1.26 -4.87 113.70 112.84 3hpx s SER 376 Ca -0.10 2.36 -0.10 0.00 0.70 0.00 0.00 55.95 58.81 3hpx s SER 376 Cb 0.07 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 61.95 3hpx s SER 376 CO 0.81 -0.67 1.84 1.23 1.20 0.00 0.00 173.24 177.64 3hpx h GLY 377 N 6.81 1.13 1.20 9.45 0.00 -1.93 -0.68 103.07 119.05 3hpx h GLY 377 Ca -0.42 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.33 3hpx h GLY 377 CO 0.87 0.48 0.01 1.76 0.00 0.00 0.00 176.54 179.66 3hpx h SER 378 N 1.06 0.94 -0.23 0.19 0.02 -2.00 -2.11 113.55 111.43 3hpx h SER 378 Ca 0.27 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 3hpx h SER 378 Cb 0.00 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.29 3hpx h SER 378 CO -0.05 0.99 -0.43 0.45 -1.14 0.00 0.00 176.83 176.65 3hpx h HIS 379 N 0.89 0.88 -0.67 3.45 -0.00 -1.89 -2.30 115.15 115.51 3hpx h HIS 379 Ca 0.17 -0.31 0.12 0.00 -0.00 0.00 0.00 60.37 60.34 3hpx h HIS 379 Cb 0.51 -0.16 -0.09 0.00 -0.00 0.00 0.00 27.41 27.66 3hpx h HIS 379 CO 0.03 1.09 0.22 1.96 -0.00 0.00 0.00 177.93 181.23 3hpx h GLN 380 N 0.41 0.35 0.09 2.45 4.20 -1.03 0.18 115.11 121.77 3hpx h GLN 380 Ca 0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hpx h GLN 380 Cb 1.03 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.74 3hpx h GLN 380 CO 0.10 0.23 -0.04 0.22 -0.67 0.00 0.00 178.83 178.66 3hpx h ASP 381 N 0.36 -0.11 -0.73 1.46 3.58 -1.27 -1.89 116.42 117.82 3hpx h ASP 381 Ca 0.36 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 3hpx h ASP 381 Cb 0.52 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 3hpx h ASP 381 CO -0.39 -0.07 0.38 0.00 -2.88 0.00 0.00 179.24 176.29 3hpx h ALA 382 N 0.77 1.27 0.03 -0.78 0.00 -0.88 -1.46 119.26 118.20 3hpx h ALA 382 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hpx h ALA 382 Cb 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hpx h ALA 382 CO 0.02 0.58 -0.01 0.82 0.00 0.00 0.00 179.25 180.66 3hpx h ILE 383 N 1.05 1.12 -0.73 0.00 2.04 -0.55 -0.28 117.51 120.16 3hpx h ILE 383 Ca 0.26 -0.45 0.13 0.00 1.00 0.00 0.00 64.86 65.80 3hpx h ILE 383 Cb 0.07 1.41 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 3hpx h ILE 383 CO -0.04 0.11 0.31 0.78 0.00 0.00 0.00 178.15 179.32 3hpx h ASN 384 N -0.23 0.33 -0.27 1.72 2.35 -1.16 -0.35 115.58 117.96 3hpx h ASN 384 Ca -0.00 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3hpx h ASN 384 Cb 0.22 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3hpx h ASN 384 CO 0.01 0.15 0.14 0.11 -1.65 0.00 0.00 177.43 176.19 3hpx h LYS 385 N 0.48 0.39 -0.19 0.81 1.57 -0.97 0.15 116.57 118.81 3hpx h LYS 385 Ca 0.39 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.17 3hpx h LYS 385 Cb 0.54 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 3hpx h LYS 385 CO -0.36 0.36 -0.25 0.78 -0.57 0.00 0.00 179.45 179.42 3hpx h GLY 386 N 0.32 -0.22 0.93 3.86 0.00 -0.77 -1.15 103.07 106.04 3hpx h GLY 386 Ca 0.10 0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.68 3hpx h GLY 386 CO -0.01 -0.20 0.05 1.41 0.00 0.00 0.00 176.54 177.79 3hpx h LEU 387 N -0.28 0.62 -0.92 3.11 3.38 -0.82 -2.21 115.31 118.19 3hpx h LEU 387 Ca 0.12 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3hpx h LEU 387 Cb 0.46 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3hpx h LEU 387 CO -0.35 0.74 0.57 0.44 0.09 0.00 0.00 178.44 179.93 3hpx h ASP 388 N 0.48 0.88 0.42 -0.43 3.32 -0.68 -2.54 116.42 117.88 3hpx h ASP 388 Ca 0.11 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 3hpx h ASP 388 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3hpx h ASP 388 CO 0.01 0.54 -0.58 0.00 -1.72 0.00 0.00 179.24 177.49 3hpx h ALA 389 N 1.45 0.93 -0.15 3.45 0.00 -0.99 -2.24 119.26 121.72 3hpx h ALA 389 Ca 0.42 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hpx h ALA 389 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hpx h ALA 389 CO -0.20 0.72 0.05 0.52 0.00 0.00 0.00 179.25 180.34 3hpx h MET 390 N 0.12 0.23 -0.49 0.00 2.86 -1.25 -1.27 114.93 115.13 3hpx h MET 390 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3hpx h MET 390 Cb 1.06 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 3hpx h MET 390 CO 0.09 0.33 0.31 0.87 1.06 0.00 0.00 176.91 179.57 3hpx h LYS 391 N 0.07 0.65 -0.25 1.72 1.57 -1.41 0.32 116.57 119.25 3hpx h LYS 391 Ca 0.05 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3hpx h LYS 391 Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hpx h LYS 391 CO -0.00 0.45 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.19 3hpx h LEU 392 N 0.66 0.36 -0.61 2.94 3.38 -1.40 -0.75 115.31 119.90 3hpx h LEU 392 Ca 0.18 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 3hpx h LEU 392 Cb -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hpx h LEU 392 CO -0.04 0.48 -0.57 0.44 0.09 0.00 0.00 178.44 178.84 3hpx h ASP 393 N 0.37 0.41 0.00 -0.43 5.19 -0.63 -1.36 116.42 119.97 3hpx h ASP 393 Ca 0.08 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3hpx h ASP 393 Cb 0.35 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.74 3hpx h ASP 393 CO 0.02 0.90 0.00 0.00 -3.12 0.00 0.00 179.24 177.03 3hpx n ALA 394 N -2.49 -0.43 -0.28 3.45 0.00 0.11 -1.93 120.51 118.94 3hpx n ALA 394 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.58 3hpx n ALA 394 Cb 0.61 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.38 3hpx n ALA 394 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hpx n ASP 395 N -1.99 0.03 -0.35 0.00 8.00 -0.38 -0.14 116.55 121.72 3hpx n ASP 395 Ca 0.00 1.41 0.03 0.00 0.71 0.00 0.00 54.79 56.94 3hpx n ASP 395 Cb 0.00 -0.57 0.18 0.00 -0.02 0.00 0.00 41.12 40.71 3hpx n ASP 395 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hpx h ALA 396 N 1.67 1.36 -0.58 2.24 0.00 -1.11 -3.09 119.26 119.75 3hpx h ALA 396 Ca 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3hpx h ALA 396 Cb 1.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hpx h ALA 396 CO -0.74 0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3hpx n ALA 397 N -2.36 2.86 -3.05 0.00 0.00 0.80 -4.93 120.51 113.83 3hpx n ALA 397 Ca 0.15 -1.57 -0.17 0.00 0.00 0.00 0.00 53.44 51.85 3hpx n ALA 397 Cb 0.23 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 3hpx n ALA 397 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hpx n ASP 398 N 0.95 -3.00 -4.88 0.00 9.92 -0.77 -4.97 116.55 113.81 3hpx n ASP 398 Ca 0.23 -0.12 -0.21 0.00 -0.53 0.00 0.00 54.79 54.16 3hpx n ASP 398 Cb 0.79 -2.55 -0.03 0.00 -0.64 0.00 0.00 41.12 38.69 3hpx n ASP 398 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hpx s ASP 400 N -3.99 6.88 0.30 0.00 3.68 -1.26 -4.19 116.67 118.09 3hpx s ASP 400 Ca 0.39 1.08 0.06 0.00 2.13 0.00 0.00 52.55 56.22 3hpx s ASP 400 Cb -0.07 -2.43 0.79 0.00 -1.45 0.00 0.00 42.92 39.76 3hpx s ASP 400 CO 0.27 -0.39 1.74 1.62 0.13 0.00 0.00 175.17 178.54 3hpx h VAL 401 N 5.22 0.58 0.00 1.11 3.04 -1.91 0.18 116.25 124.47 3hpx h VAL 401 Ca -0.29 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3hpx h VAL 401 Cb 1.13 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 3hpx h VAL 401 CO 0.83 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 177.97 3hpx n ASP 402 N -4.89 0.56 -0.49 3.17 8.00 -1.26 -2.08 116.55 119.56 3hpx n ASP 402 Ca 0.24 0.73 0.11 0.00 0.71 0.00 0.00 54.79 56.58 3hpx n ASP 402 Cb 0.66 -0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 40.94 3hpx n ASP 402 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hpx n ASP 403 N -2.22 1.99 -4.91 -2.24 8.00 0.62 -5.00 116.55 112.80 3hpx n ASP 403 Ca -0.01 -1.50 -0.28 0.00 0.71 0.00 0.00 54.79 53.72 3hpx n ASP 403 Cb 0.08 0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 3hpx n ASP 403 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3hpx s MET 404 N -2.38 3.62 -0.23 -1.24 -1.94 -0.88 -5.00 119.30 111.24 3hpx s MET 404 Ca 0.18 0.03 -0.42 0.00 -1.71 0.00 0.00 55.69 53.77 3hpx s MET 404 Cb 0.17 -2.59 -0.18 0.00 2.01 0.00 0.00 34.83 34.25 3hpx s MET 404 CO 0.54 0.12 1.48 -0.11 -0.01 0.00 0.00 175.02 177.05 3hpx n LEU 405 N -1.26 1.34 -4.68 -0.03 7.94 -1.26 -4.88 117.00 114.17 3hpx n LEU 405 Ca -0.01 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.60 3hpx n LEU 405 Cb 0.54 -1.01 -0.03 0.00 0.53 0.00 0.00 43.42 43.46 3hpx n LEU 405 CO 0.49 -0.99 0.99 0.86 -1.11 0.00 0.00 177.39 177.62 3hpx s TRP 406 N 2.08 3.10 -0.42 1.96 -0.11 -1.26 -4.96 118.94 119.33 3hpx s TRP 406 Ca 0.97 1.16 0.06 0.00 1.22 0.00 0.00 56.10 59.51 3hpx s TRP 406 Cb -1.24 -3.44 0.20 0.00 -1.50 0.00 0.00 33.47 27.49 3hpx s TRP 406 CO 0.66 -1.41 0.47 1.04 -4.62 0.00 0.00 176.95 173.09 3hpx n GLN 407 N 5.57 0.42 -3.94 5.86 1.13 -1.26 -5.07 117.38 120.09 3hpx n GLN 407 Ca 0.12 -2.99 -0.24 0.00 -1.94 0.00 0.00 57.00 51.94 3hpx n GLN 407 Cb 0.46 -1.49 -0.17 0.00 0.11 0.00 0.00 30.24 29.14 3hpx n GLN 407 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hpx s VAL 408 N -0.22 0.69 0.31 5.09 1.01 -1.26 -4.57 120.40 121.45 3hpx s VAL 408 Ca 0.33 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 3hpx s VAL 408 Cb 0.09 -0.76 -0.13 0.00 0.00 0.00 0.00 36.38 35.58 3hpx s VAL 408 CO -0.16 0.30 1.33 -2.65 0.00 0.00 0.00 175.10 173.93 3hpx n PRO 409 N 4.81 2.12 0.00 2.72 -0.02 -1.26 -2.80 135.00 140.56 3hpx n PRO 409 Ca -0.13 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3hpx n PRO 409 Cb 0.50 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3hpx n PRO 409 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hpx n TYR 410 N 0.89 0.00 -4.03 6.00 4.02 -1.26 -4.46 117.16 118.33 3hpx n TYR 410 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.65 3hpx n TYR 410 Cb 0.35 -0.09 -0.15 0.00 -0.02 0.00 0.00 39.34 39.42 3hpx n TYR 410 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hpx s LEU 411 N 0.00 4.37 0.44 7.72 1.43 -1.12 -4.99 118.68 126.53 3hpx s LEU 411 Ca 0.00 -1.95 0.14 0.00 -1.03 0.00 0.00 54.13 51.30 3hpx s LEU 411 Cb 0.00 -1.59 1.04 0.00 0.03 0.00 0.00 46.19 45.67 3hpx s LEU 411 CO 0.00 -0.33 1.98 1.55 0.23 0.00 0.00 176.35 179.78 3hpx h PRO 412 N 7.66 0.38 -4.88 1.29 0.13 -1.93 -3.42 132.00 131.24 3hpx h PRO 412 Ca -0.08 -0.02 -0.30 0.00 -0.87 0.00 0.00 66.00 64.73 3hpx h PRO 412 Cb 1.03 -0.09 -0.17 0.00 0.13 0.00 0.00 31.00 31.90 3hpx h PRO 412 CO 0.50 0.25 -0.72 0.96 -0.23 0.00 0.00 178.00 178.76 3hpx s ILE 413 N -5.38 0.88 -0.12 -3.56 -4.36 -1.26 -5.00 121.20 102.41 3hpx s ILE 413 Ca -0.08 -1.71 -0.29 0.00 -0.26 0.00 0.00 60.65 58.31 3hpx s ILE 413 Cb 0.20 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 3hpx s ILE 413 CO 0.75 -0.64 1.55 -0.62 0.24 0.00 0.00 174.94 176.22 3hpx s ASP 414 N -2.59 6.66 0.43 4.36 -1.08 -1.26 -4.88 116.67 118.31 3hpx s ASP 414 Ca 0.07 1.95 0.18 0.00 -0.52 0.00 0.00 52.55 54.23 3hpx s ASP 414 Cb -0.01 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 40.02 3hpx s ASP 414 CO -0.01 -0.97 1.90 -0.65 0.52 0.00 0.00 175.17 175.96 3hpx h PRO 415 N 9.50 0.36 0.00 4.34 0.11 -1.94 -0.83 132.00 143.54 3hpx h PRO 415 Ca -0.35 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3hpx h PRO 415 Cb 1.15 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hpx h PRO 415 CO 0.97 0.24 -0.03 0.00 -0.21 0.00 0.00 178.00 178.97 3hpx h ARG 416 N 0.37 0.00 0.00 1.05 -0.00 -1.81 0.59 114.38 114.58 3hpx h ARG 416 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.89 3hpx h ARG 416 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.99 3hpx h ARG 416 CO -0.13 0.03 0.00 -0.44 0.00 0.00 0.00 179.97 179.43 3hpx h ASP 417 N 0.00 0.00 -0.30 7.04 3.32 -1.45 -1.91 116.42 123.12 3hpx h ASP 417 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hpx h ASP 417 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hpx h ASP 417 CO 0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 3hpx n VAL 418 N -2.81 1.22 -1.75 -1.35 0.24 -0.87 -4.36 118.33 108.65 3hpx n VAL 418 Ca 0.00 -1.16 -0.06 0.00 -2.04 0.00 0.00 64.34 61.08 3hpx n VAL 418 Cb 0.22 0.37 -0.01 0.00 -1.47 0.00 0.00 33.84 32.95 3hpx n VAL 418 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hpx n GLY 419 N 0.23 0.40 3.82 7.63 0.00 -0.72 -1.00 105.19 115.54 3hpx n GLY 419 Ca 0.12 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 3hpx n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpx s ARG 420 N -3.60 2.22 0.03 1.61 1.81 0.15 -4.85 118.95 116.31 3hpx s ARG 420 Ca 0.00 -2.16 0.04 0.00 -1.72 0.00 0.00 55.73 51.89 3hpx s ARG 420 Cb 0.00 -1.84 -0.02 0.00 -0.45 0.00 0.00 34.95 32.64 3hpx s ARG 420 CO 0.00 -0.43 -0.11 0.95 -0.68 0.00 0.00 175.30 175.03 3hpx s THR 421 N -2.79 0.84 0.27 0.02 -4.23 -1.26 -2.37 115.64 106.12 3hpx s THR 421 Ca 0.23 -0.81 -0.29 0.00 -1.18 0.00 0.00 61.69 59.63 3hpx s THR 421 Cb 0.00 -0.77 -0.09 0.00 1.34 0.00 0.00 72.50 72.98 3hpx s THR 421 CO 0.14 -0.03 1.11 -0.47 -0.54 0.00 0.00 174.62 174.83 3hpx s TYR 422 N -0.76 3.56 -0.16 3.99 5.04 -1.26 -4.78 117.35 122.99 3hpx s TYR 422 Ca -0.00 1.67 -0.00 0.00 -2.44 0.00 0.00 57.07 56.29 3hpx s TYR 422 Cb -0.07 -3.30 0.04 0.00 0.35 0.00 0.00 41.96 38.98 3hpx s TYR 422 CO 0.01 -0.62 -0.06 -1.21 -1.34 0.00 0.00 175.55 172.33 3hpx s GLU 423 N -1.35 1.45 -0.29 4.97 2.02 0.04 -5.02 118.70 120.52 3hpx s GLU 423 Ca 0.45 -0.47 -0.28 0.00 0.02 0.00 0.00 54.97 54.69 3hpx s GLU 423 Cb -0.32 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 31.99 3hpx s GLU 423 CO 0.41 -0.40 1.02 0.00 0.02 0.00 0.00 175.26 176.30 3hpx s ALA 424 N 1.65 3.55 -0.56 5.21 0.00 -1.26 -1.14 121.76 129.21 3hpx s ALA 424 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.97 3hpx s ALA 424 Cb -0.15 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.43 3hpx s ALA 424 CO -0.08 -1.32 0.64 0.28 0.00 0.00 0.00 175.76 175.28