#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1y h SER 0 N 0.00 0.69 -3.43 0.00 0.02 -1.97 -3.41 113.55 105.44 3h1y h SER 0 Ca 0.00 -0.12 -0.67 0.00 -0.84 0.00 0.00 61.79 60.16 3h1y h SER 0 Cb 0.00 -0.18 -0.29 0.00 0.14 0.00 0.00 62.40 62.08 3h1y h SER 0 CO 0.00 0.62 -0.81 -0.04 -1.14 0.00 0.00 176.83 175.46 3h1y s MET 1 N -5.73 3.16 -0.28 3.45 1.00 -1.26 -4.37 119.30 115.27 3h1y s MET 1 Ca -0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 55.69 54.79 3h1y s MET 1 Cb 0.12 -2.48 0.05 0.00 0.00 0.00 0.00 34.83 32.52 3h1y s MET 1 CO 0.77 0.25 -0.03 -0.65 0.00 0.00 0.00 175.02 175.35 3h1y s GLN 2 N 0.22 2.45 0.21 2.03 -0.21 -0.71 -4.98 119.66 118.67 3h1y s GLN 2 Ca -0.11 -1.24 -0.30 0.00 0.02 0.00 0.00 55.36 53.73 3h1y s GLN 2 Cb -0.16 -3.08 -0.10 0.00 1.00 0.00 0.00 33.01 30.67 3h1y s GLN 2 CO 0.06 -0.57 1.44 0.21 -2.12 0.00 0.00 175.29 174.31 3h1y s LYS 3 N 1.23 4.28 0.03 2.91 2.20 -1.26 0.01 119.74 129.14 3h1y s LYS 3 Ca -0.05 2.25 -0.17 0.00 -0.36 0.00 0.00 55.97 57.64 3h1y s LYS 3 Cb -0.19 -3.15 -0.06 0.00 -1.51 0.00 0.00 37.83 32.92 3h1y s LYS 3 CO -0.02 -0.44 0.48 -0.51 -0.36 0.00 0.00 175.35 174.49 3h1y s LEU 4 N 0.15 4.50 -0.33 5.43 1.43 -0.40 -4.59 118.68 124.88 3h1y s LEU 4 Ca 0.62 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 3h1y s LEU 4 Cb -0.41 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 3h1y s LEU 4 CO 0.38 0.30 0.21 -0.63 0.23 0.00 0.00 176.35 176.85 3h1y s ILE 5 N -1.09 5.12 0.07 -0.59 1.01 0.35 -4.75 121.20 121.33 3h1y s ILE 5 Ca 0.26 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.74 3h1y s ILE 5 Cb -0.18 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3h1y s ILE 5 CO 0.16 0.04 -0.07 0.20 0.00 0.00 0.00 174.94 175.27 3h1y s ASN 6 N 1.70 4.60 0.16 3.58 0.01 -1.26 -0.55 114.94 123.18 3h1y s ASN 6 Ca 0.06 -0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 51.64 3h1y s ASN 6 Cb -0.17 -0.99 -0.07 0.00 0.41 0.00 0.00 41.25 40.43 3h1y s ASN 6 CO 0.09 0.20 0.94 -0.44 -1.51 0.00 0.00 177.10 176.39 3h1y s SER 7 N -2.02 7.54 -0.26 -1.22 0.01 -1.21 -4.86 113.70 111.68 3h1y s SER 7 Ca 0.21 1.83 -0.06 0.00 1.31 0.00 0.00 55.95 59.24 3h1y s SER 7 Cb -0.11 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 3h1y s SER 7 CO 0.13 0.03 0.04 -0.69 0.41 0.00 0.00 173.24 173.16 3h1y s VAL 8 N -0.47 3.89 -0.33 3.43 1.01 -1.26 0.14 120.40 126.81 3h1y s VAL 8 Ca 0.44 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 3h1y s VAL 8 Cb -0.24 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3h1y s VAL 8 CO 0.30 0.26 0.99 -1.10 0.00 0.00 0.00 175.10 175.55 3h1y s GLN 9 N 1.53 4.00 -0.44 2.72 -1.52 0.71 -4.96 119.66 121.71 3h1y s GLN 9 Ca 0.05 0.88 -0.04 0.00 -1.95 0.00 0.00 55.36 54.30 3h1y s GLN 9 Cb -0.16 -3.75 -0.00 0.00 -0.22 0.00 0.00 33.01 28.88 3h1y s GLN 9 CO 0.01 -0.87 2.92 0.09 -0.25 0.00 0.00 175.29 177.19 3h1y n ASN 10 N 6.72 6.36 -4.74 5.90 5.03 -1.26 -1.10 115.26 132.18 3h1y n ASN 10 Ca 0.09 -3.05 -0.37 0.00 0.87 0.00 0.00 54.58 52.12 3h1y n ASN 10 Cb 0.47 -1.28 0.05 0.00 -1.02 0.00 0.00 39.78 38.00 3h1y n ASN 10 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3h1y s TYR 11 N -1.10 2.23 0.54 3.10 2.02 -1.26 -4.74 117.35 118.15 3h1y s TYR 11 Ca 0.60 1.44 0.34 0.00 -0.37 0.00 0.00 57.07 59.09 3h1y s TYR 11 Cb 0.36 -3.70 1.90 0.00 -0.40 0.00 0.00 41.96 40.11 3h1y s TYR 11 CO -0.17 -2.78 2.23 0.00 -1.57 0.00 0.00 175.55 173.26 3h1y h ALA 12 N 1.01 1.28 -0.04 3.71 0.00 -1.93 -1.40 119.26 121.89 3h1y h ALA 12 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3h1y h ALA 12 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3h1y h ALA 12 CO 0.55 0.04 0.00 -2.67 0.00 0.00 0.00 179.25 177.17 3h1y n TRP 13 N -3.53 0.04 -1.97 0.00 4.27 -1.26 -4.91 117.44 110.07 3h1y n TRP 13 Ca -0.03 -0.02 -0.32 0.00 -3.89 0.00 0.00 57.50 53.25 3h1y n TRP 13 Cb 0.13 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.09 3h1y n TRP 13 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 3h1y s GLY 14 N -1.83 1.92 0.09 -1.67 0.00 -0.53 -1.54 107.32 103.77 3h1y s GLY 14 Ca 0.38 0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.99 3h1y s GLY 14 CO 0.31 0.49 1.02 -0.45 0.00 0.00 0.00 173.10 174.47 3h1y s SER 15 N -3.32 7.37 0.00 1.64 0.15 -1.14 -4.16 113.70 114.23 3h1y s SER 15 Ca 0.60 1.84 0.22 0.00 0.70 0.00 0.00 55.95 59.31 3h1y s SER 15 Cb -0.13 -2.59 1.00 0.00 -1.71 0.00 0.00 66.02 62.59 3h1y s SER 15 CO 0.43 -0.20 1.72 0.29 1.20 0.00 0.00 173.24 176.68 3h1y n LYS 16 N 3.14 0.08 0.00 5.44 5.02 -1.26 -0.97 118.16 129.62 3h1y n LYS 16 Ca 0.04 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3h1y n LYS 16 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3h1y n LYS 16 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3h1y n THR 17 N -1.44 0.00 0.12 -0.18 -2.24 -1.26 -4.78 114.28 104.49 3h1y n THR 17 Ca 0.07 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.69 3h1y n THR 17 Cb 0.24 -0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 67.85 3h1y n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1y h ALA 18 N 0.00 -0.95 -0.59 6.98 0.00 -1.92 0.42 119.26 123.20 3h1y h ALA 18 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3h1y h ALA 18 Cb 0.60 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3h1y h ALA 18 CO 0.00 -1.10 0.39 -0.07 0.00 0.00 0.00 179.25 178.47 3h1y h LEU 19 N -0.75 0.57 0.14 0.00 3.38 -1.89 0.38 115.31 117.15 3h1y h LEU 19 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h1y h LEU 19 Cb 0.75 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3h1y h LEU 19 CO -0.27 0.39 -0.07 0.74 0.09 0.00 0.00 178.44 179.32 3h1y h THR 20 N 0.66 1.02 -0.23 0.22 2.02 -1.35 -0.61 112.91 114.64 3h1y h THR 20 Ca 0.24 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.67 3h1y h THR 20 Cb 0.13 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 3h1y h THR 20 CO -0.07 0.18 -0.07 -0.33 0.37 0.00 0.00 175.52 175.61 3h1y h GLU 21 N -0.58 -0.02 -0.10 6.66 5.08 0.29 0.19 114.58 126.11 3h1y h GLU 21 Ca -0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 3h1y h GLU 21 Cb 0.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3h1y h GLU 21 CO 0.03 -0.01 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.36 3h1y h LEU 22 N -0.02 0.69 -0.20 1.33 3.38 -1.00 -3.40 115.31 116.09 3h1y h LEU 22 Ca 0.11 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3h1y h LEU 22 Cb 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3h1y h LEU 22 CO -0.25 1.24 0.00 -1.22 0.09 0.00 0.00 178.44 178.30 3h1y n TYR 23 N -4.15 0.00 -1.88 1.13 4.01 -0.26 -4.88 117.16 111.12 3h1y n TYR 23 Ca -0.08 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.59 3h1y n TYR 23 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.67 3h1y n TYR 23 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h1y n GLY 24 N 0.55 0.31 3.71 2.72 0.00 0.66 -4.85 105.19 108.29 3h1y n GLY 24 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3h1y n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1y s ILE 25 N -2.31 3.96 0.18 -0.61 1.01 -1.17 -4.94 121.20 117.32 3h1y s ILE 25 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.75 3h1y s ILE 25 Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 3h1y s ILE 25 CO 0.00 0.11 1.35 0.00 0.00 0.00 0.00 174.94 176.39 3h1y s ALA 26 N 1.09 3.56 -0.39 9.38 0.00 -1.26 -3.94 121.76 130.19 3h1y s ALA 26 Ca 0.59 1.13 0.11 0.00 0.00 0.00 0.00 51.96 53.79 3h1y s ALA 26 Cb -0.30 -3.51 0.34 0.00 0.00 0.00 0.00 23.12 19.66 3h1y s ALA 26 CO 0.29 -0.58 0.84 -1.71 0.00 0.00 0.00 175.76 174.60 3h1y n ASN 27 N 2.99 -0.01 0.05 0.00 5.15 -1.26 -4.99 115.26 117.19 3h1y n ASN 27 Ca 0.08 -3.18 0.05 0.00 -0.60 0.00 0.00 54.58 50.92 3h1y n ASN 27 Cb 0.42 0.06 0.46 0.00 -0.53 0.00 0.00 39.78 40.20 3h1y n ASN 27 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3h1y h PRO 28 N 2.99 0.44 -0.00 1.20 0.13 -1.98 -0.76 132.00 134.02 3h1y h PRO 28 Ca 0.04 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3h1y h PRO 28 Cb 1.01 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3h1y h PRO 28 CO 0.40 0.30 -0.08 1.04 -0.23 0.00 0.00 178.00 179.43 3h1y n GLN 29 N -4.48 0.52 -3.64 0.86 1.13 -1.26 -4.93 117.38 105.58 3h1y n GLN 29 Ca 0.02 -0.12 -0.23 0.00 -1.94 0.00 0.00 57.00 54.72 3h1y n GLN 29 Cb 0.07 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 28.99 3h1y n GLN 29 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3h1y n GLN 30 N -1.13 -6.75 -2.19 -1.09 1.13 -0.29 -4.98 117.38 102.07 3h1y n GLN 30 Ca 0.14 0.76 -0.34 0.00 -1.94 0.00 0.00 57.00 55.61 3h1y n GLN 30 Cb 0.27 -5.70 0.00 0.00 0.11 0.00 0.00 30.24 24.92 3h1y n GLN 30 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3h1y s GLN 31 N -6.12 3.33 0.20 -1.09 -1.52 -1.26 -4.91 119.66 108.29 3h1y s GLN 31 Ca 0.39 1.46 -0.30 0.00 -1.95 0.00 0.00 55.36 54.96 3h1y s GLN 31 Cb -0.18 -2.02 -0.09 0.00 -0.22 0.00 0.00 33.01 30.50 3h1y s GLN 31 CO 0.76 -0.84 1.28 -1.25 -0.25 0.00 0.00 175.29 175.00 3h1y s PRO 32 N -3.54 4.41 -0.38 2.91 0.04 -1.26 -4.31 135.00 132.87 3h1y s PRO 32 Ca 0.69 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.75 3h1y s PRO 32 Cb -0.21 -3.20 0.10 0.00 0.04 0.00 0.00 34.50 31.24 3h1y s PRO 32 CO 0.30 -0.21 0.14 -1.64 0.04 0.00 0.00 177.00 175.62 3h1y s MET 33 N -0.20 1.81 -0.14 4.56 -1.94 -0.14 -4.16 119.30 119.08 3h1y s MET 33 Ca 0.55 -1.83 -0.14 0.00 -1.71 0.00 0.00 55.69 52.57 3h1y s MET 33 Cb -0.36 -3.42 -0.25 0.00 2.01 0.00 0.00 34.83 32.81 3h1y s MET 33 CO 0.38 -1.01 0.39 0.00 -0.01 0.00 0.00 175.02 174.78 3h1y h ALA 34 N 7.87 0.30 -3.63 3.03 0.00 -1.30 -3.06 119.26 122.47 3h1y h ALA 34 Ca -0.10 -1.24 -0.27 0.00 0.00 0.00 0.00 54.91 53.30 3h1y h ALA 34 Cb 1.04 0.64 -0.31 0.00 0.00 0.00 0.00 17.79 19.16 3h1y h ALA 34 CO 0.62 0.99 -0.73 -1.21 0.00 0.00 0.00 179.25 178.93 3h1y s GLU 35 N -2.48 0.02 -0.24 0.00 2.02 -1.10 -0.59 118.70 116.32 3h1y s GLU 35 Ca -0.23 0.08 -0.08 0.00 0.02 0.00 0.00 54.97 54.76 3h1y s GLU 35 Cb 0.06 -0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.10 3h1y s GLU 35 CO 0.72 -0.08 0.08 -1.17 0.02 0.00 0.00 175.26 174.84 3h1y s LEU 36 N 0.52 3.55 -0.20 1.80 2.96 0.06 -0.21 118.68 127.15 3h1y s LEU 36 Ca -0.04 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.61 3h1y s LEU 36 Cb -0.06 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 3h1y s LEU 36 CO -0.01 -0.01 0.17 0.26 -1.32 0.00 0.00 176.35 175.44 3h1y s TRP 37 N 1.47 3.39 -0.31 5.38 0.52 0.12 -1.22 118.94 128.29 3h1y s TRP 37 Ca 0.06 0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.56 3h1y s TRP 37 Cb -0.15 -2.23 0.09 0.00 -1.15 0.00 0.00 33.47 30.03 3h1y s TRP 37 CO 0.04 0.22 0.02 -1.64 0.02 0.00 0.00 176.95 175.61 3h1y s MET 38 N 0.58 1.49 0.00 4.98 -1.94 0.12 -3.29 119.30 121.24 3h1y s MET 38 Ca 0.10 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.47 3h1y s MET 38 Cb -0.12 -2.93 0.00 0.00 2.01 0.00 0.00 34.83 33.79 3h1y s MET 38 CO 0.01 -0.86 0.00 0.41 -0.01 0.00 0.00 175.02 174.56 3h1y n GLY 39 N 4.40 -0.61 2.37 -0.03 0.00 -1.26 -1.90 105.19 108.16 3h1y n GLY 39 Ca -0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 3h1y n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1y n ALA 40 N 0.00 3.59 -1.76 4.61 0.00 -1.26 -0.73 120.51 124.96 3h1y n ALA 40 Ca 0.00 -3.17 -0.41 0.00 0.00 0.00 0.00 53.44 49.85 3h1y n ALA 40 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 3h1y n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3h1y s HIS 41 N -3.53 2.72 0.41 0.00 5.04 -1.26 -4.68 115.29 113.99 3h1y s HIS 41 Ca 0.37 0.82 0.36 0.00 -1.54 0.00 0.00 55.06 55.07 3h1y s HIS 41 Cb 0.36 -4.07 1.78 0.00 0.04 0.00 0.00 32.58 30.69 3h1y s HIS 41 CO -0.01 -3.56 2.16 -1.00 -2.34 0.00 0.00 174.74 169.99 3h1y h PRO 42 N 4.62 0.00 0.00 2.88 0.13 -1.98 -0.49 132.00 137.17 3h1y h PRO 42 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3h1y h PRO 42 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3h1y h PRO 42 CO 0.78 0.04 -0.33 0.87 -0.23 0.00 0.00 178.00 179.13 3h1y h LYS 43 N 0.00 0.00 -0.47 0.86 1.79 -2.01 -3.42 116.57 113.33 3h1y h LYS 43 Ca -0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 3h1y h LYS 43 Cb 0.27 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.76 3h1y h LYS 43 CO 0.01 0.00 -0.27 0.45 -1.08 0.00 0.00 179.45 178.55 3h1y n SER 44 N -2.83 -2.28 -4.78 0.86 2.88 -0.65 -5.15 113.62 101.67 3h1y n SER 44 Ca 0.03 -1.87 -0.36 0.00 -1.33 0.00 0.00 58.87 55.34 3h1y n SER 44 Cb 0.52 1.17 -0.02 0.00 -0.75 0.00 0.00 64.21 65.14 3h1y n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3h1y s SER 45 N 0.71 6.25 0.91 -3.46 0.15 -0.28 -4.33 113.70 113.64 3h1y s SER 45 Ca 0.27 2.17 -0.10 0.00 0.70 0.00 0.00 55.95 58.98 3h1y s SER 45 Cb 0.09 -2.59 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 3h1y s SER 45 CO -0.09 -0.85 1.12 -0.44 1.20 0.00 0.00 173.24 174.18 3h1y s SER 46 N -1.57 3.09 0.19 5.45 0.01 0.09 -4.77 113.70 116.19 3h1y s SER 46 Ca 0.64 2.00 0.09 0.00 1.31 0.00 0.00 55.95 59.99 3h1y s SER 46 Cb -0.24 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 3h1y s SER 46 CO 0.29 -2.97 -0.18 -0.13 0.41 0.00 0.00 173.24 170.67 3h1y s ARG 47 N -4.70 1.37 0.22 12.44 0.52 0.29 -0.35 118.95 128.74 3h1y s ARG 47 Ca 0.65 -1.51 0.05 0.00 -0.52 0.00 0.00 55.73 54.40 3h1y s ARG 47 Cb -0.21 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.81 3h1y s ARG 47 CO 0.58 0.27 -0.05 0.96 0.02 0.00 0.00 175.30 177.08 3h1y s ILE 48 N -2.29 1.30 0.00 1.52 -4.36 -0.22 -0.49 121.20 116.66 3h1y s ILE 48 Ca 0.20 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 3h1y s ILE 48 Cb -0.05 -2.23 0.00 0.00 1.25 0.00 0.00 42.46 41.44 3h1y s ILE 48 CO 0.08 -0.44 0.00 0.35 0.24 0.00 0.00 174.94 175.17 3h1y n THR 49 N -0.41 0.00 -3.36 8.37 -2.24 -1.26 0.04 114.28 115.41 3h1y n THR 49 Ca -0.07 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 3h1y n THR 49 Cb 0.63 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.76 3h1y n THR 49 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3h1y s ASN 52 N -0.28 1.68 0.00 3.42 3.04 -1.26 -4.75 114.94 116.79 3h1y s ASN 52 Ca 0.00 -2.25 0.00 0.00 0.04 0.00 0.00 52.86 50.65 3h1y s ASN 52 Cb 0.00 0.03 0.00 0.00 -1.54 0.00 0.00 41.25 39.74 3h1y s ASN 52 CO 0.00 -0.24 0.00 0.61 -3.04 0.00 0.00 177.10 174.43 3h1y n GLY 53 N 3.66 0.91 3.95 1.21 0.00 -1.26 -5.05 105.19 108.62 3h1y n GLY 53 Ca 0.18 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 3h1y n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h1y s GLU 54 N -1.07 2.89 -0.01 1.61 -1.05 -1.26 -5.06 118.70 114.75 3h1y s GLU 54 Ca 0.00 -0.44 -0.30 0.00 -0.15 0.00 0.00 54.97 54.08 3h1y s GLU 54 Cb 0.00 -2.47 -0.05 0.00 -0.44 0.00 0.00 34.13 31.17 3h1y s GLU 54 CO 0.00 -0.49 1.34 -0.08 0.95 0.00 0.00 175.26 176.98 3h1y s THR 55 N -2.72 3.86 0.13 1.83 -1.32 -1.26 -4.24 115.64 111.92 3h1y s THR 55 Ca 0.52 1.23 0.08 0.00 -1.21 0.00 0.00 61.69 62.31 3h1y s THR 55 Cb -0.10 -3.79 -0.04 0.00 -1.51 0.00 0.00 72.50 67.06 3h1y s THR 55 CO 0.40 0.00 -0.20 0.54 -2.21 0.00 0.00 174.62 173.15 3h1y s VAL 56 N 2.26 1.78 0.29 5.08 0.11 0.11 -4.96 120.40 125.08 3h1y s VAL 56 Ca 0.61 -1.73 -0.29 0.00 -2.93 0.00 0.00 61.98 57.64 3h1y s VAL 56 Cb -0.30 -1.71 -0.10 0.00 -1.53 0.00 0.00 36.38 32.74 3h1y s VAL 56 CO 0.25 -0.18 1.41 -0.55 -3.33 0.00 0.00 175.10 172.70 3h1y s SER 57 N -2.29 6.65 0.23 3.54 0.15 -1.26 -1.05 113.70 119.66 3h1y s SER 57 Ca 0.11 2.73 -0.08 0.00 0.70 0.00 0.00 55.95 59.41 3h1y s SER 57 Cb -0.08 -2.64 0.21 0.00 -1.71 0.00 0.00 66.02 61.80 3h1y s SER 57 CO 0.05 -0.67 1.89 0.25 1.20 0.00 0.00 173.24 175.96 3h1y h LEU 58 N 4.27 1.05 -0.53 3.45 5.85 -1.00 -0.80 115.31 127.60 3h1y h LEU 58 Ca -0.47 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.24 3h1y h LEU 58 Cb 1.22 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3h1y h LEU 58 CO 0.72 0.79 0.26 -0.09 -0.34 0.00 0.00 178.44 179.79 3h1y h ARG 59 N 1.21 0.49 -0.58 1.25 2.43 -1.83 0.12 114.38 117.47 3h1y h ARG 59 Ca 0.32 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 3h1y h ARG 59 Cb -0.08 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3h1y h ARG 59 CO -0.06 0.32 0.02 -0.44 -1.51 0.00 0.00 179.97 178.30 3h1y h ASP 60 N 0.50 0.97 -0.48 -3.80 3.32 -1.86 -1.08 116.42 113.99 3h1y h ASP 60 Ca 0.24 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3h1y h ASP 60 Cb 0.16 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3h1y h ASP 60 CO -0.17 1.01 0.17 0.00 -1.72 0.00 0.00 179.24 178.53 3h1y h ALA 61 N 1.09 0.62 -0.50 3.45 0.00 -0.50 -2.72 119.26 120.70 3h1y h ALA 61 Ca 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h1y h ALA 61 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3h1y h ALA 61 CO 0.02 0.25 0.10 0.82 0.00 0.00 0.00 179.25 180.45 3h1y h ILE 62 N 0.64 1.24 -0.33 0.00 2.04 -0.62 -3.12 117.51 117.36 3h1y h ILE 62 Ca 0.16 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 3h1y h ILE 62 Cb 0.23 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3h1y h ILE 62 CO -0.01 0.32 0.18 -0.08 0.00 0.00 0.00 178.15 178.56 3h1y h GLU 63 N 0.69 0.44 0.00 2.37 4.81 -1.04 0.21 114.58 122.06 3h1y h GLU 63 Ca 0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3h1y h GLU 63 Cb 0.36 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3h1y h GLU 63 CO 0.01 0.32 -0.06 1.63 -0.73 0.00 0.00 179.01 180.17 3h1y n LYS 64 N -4.46 0.16 -2.90 1.92 4.01 -1.04 -4.31 118.16 111.55 3h1y n LYS 64 Ca 0.02 0.12 -0.12 0.00 -0.51 0.00 0.00 58.31 57.82 3h1y n LYS 64 Cb 0.09 -1.68 0.03 0.00 -0.51 0.00 0.00 35.03 32.96 3h1y n LYS 64 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3h1y n ASN 65 N -1.96 -0.22 0.06 4.39 3.02 -0.06 -5.03 115.26 115.46 3h1y n ASN 65 Ca 0.06 -3.06 -0.12 0.00 -0.03 0.00 0.00 54.58 51.43 3h1y n ASN 65 Cb 0.40 0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.77 3h1y n ASN 65 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3h1y h LYS 66 N 2.87 -0.05 -0.63 3.52 1.57 -1.42 -1.77 116.57 120.66 3h1y h LYS 66 Ca -0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3h1y h LYS 66 Cb 1.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 3h1y h LYS 66 CO 0.33 -0.04 0.16 1.15 -0.57 0.00 0.00 179.45 180.48 3h1y h THR 67 N -0.06 1.25 -0.37 -0.16 2.02 -1.87 0.32 112.91 114.04 3h1y h THR 67 Ca -0.00 -0.92 -0.12 0.00 0.77 0.00 0.00 66.41 66.14 3h1y h THR 67 Cb 0.05 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3h1y h THR 67 CO -0.00 0.35 -0.27 0.00 0.37 0.00 0.00 175.52 175.97 3h1y h ALA 68 N 1.05 0.83 0.12 6.16 0.00 -1.85 -0.56 119.26 125.00 3h1y h ALA 68 Ca 0.20 -0.39 -0.36 0.00 0.00 0.00 0.00 54.91 54.36 3h1y h ALA 68 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h1y h ALA 68 CO 0.00 0.64 -1.95 0.52 0.00 0.00 0.00 179.25 178.46 3h1y h MET 69 N 0.66 0.25 0.00 0.00 2.07 -1.16 -2.30 114.93 114.45 3h1y h MET 69 Ca 0.08 -0.43 -0.20 0.00 -2.07 0.00 0.00 59.70 57.08 3h1y h MET 69 Cb 0.79 0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 30.64 3h1y h MET 69 CO 0.07 1.15 -1.29 -0.07 1.07 0.00 0.00 176.91 177.84 3h1y h LEU 70 N 0.07 0.00 0.00 1.22 3.38 -0.49 0.59 115.31 120.08 3h1y h LEU 70 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3h1y h LEU 70 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3h1y h LEU 70 CO 0.10 0.77 0.00 0.61 0.09 0.00 0.00 178.44 180.01 3h1y n GLY 71 N 1.41 0.25 0.12 0.83 0.00 -0.22 -2.82 105.19 104.76 3h1y n GLY 71 Ca -0.08 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 3h1y n GLY 71 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h1y h GLU 72 N 0.00 -0.20 -0.57 1.61 4.81 -1.83 -0.94 114.58 117.46 3h1y h GLU 72 Ca 0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3h1y h GLU 72 Cb 0.00 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 3h1y h GLU 72 CO 0.00 -0.08 -0.45 0.00 -0.73 0.00 0.00 179.01 177.75 3h1y h ALA 73 N 0.59 -0.37 -0.26 2.92 0.00 -1.87 -0.83 119.26 119.44 3h1y h ALA 73 Ca -0.02 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3h1y h ALA 73 Cb 0.20 0.98 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h1y h ALA 73 CO 0.03 -0.85 -0.27 0.28 0.00 0.00 0.00 179.25 178.45 3h1y h VAL 74 N -0.24 1.31 -0.65 0.00 2.07 -1.75 0.15 116.25 117.14 3h1y h VAL 74 Ca 0.17 -1.43 0.09 0.00 0.82 0.00 0.00 66.70 66.35 3h1y h VAL 74 Cb 0.56 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 3h1y h VAL 74 CO -0.68 0.45 0.43 0.00 0.02 0.00 0.00 177.57 177.79 3h1y h ALA 75 N 0.69 1.90 0.11 1.67 0.00 -0.78 0.12 119.26 122.96 3h1y h ALA 75 Ca 0.04 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 3h1y h ALA 75 Cb 0.83 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3h1y h ALA 75 CO 0.07 -0.04 -1.90 -0.91 0.00 0.00 0.00 179.25 176.46 3h1y h ASN 76 N 0.53 0.35 -0.06 0.00 4.21 -1.04 -2.93 115.58 116.65 3h1y h ASN 76 Ca 0.30 -0.75 -0.23 0.00 1.21 0.00 0.00 56.30 56.82 3h1y h ASN 76 Cb 0.46 -0.11 0.02 0.00 -1.12 0.00 0.00 38.32 37.56 3h1y h ASN 76 CO -0.09 1.67 -0.86 0.03 -1.29 0.00 0.00 177.43 176.89 3h1y h ARG 77 N 0.06 0.69 0.00 0.81 2.47 -0.78 -3.42 114.38 114.21 3h1y h ARG 77 Ca -0.38 -0.66 0.00 0.00 -1.26 0.00 0.00 59.98 57.67 3h1y h ARG 77 Cb 2.04 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 30.52 3h1y h ARG 77 CO 0.10 1.26 -1.00 1.19 0.56 0.00 0.00 179.97 182.08 3h1y n PHE 78 N -3.96 0.00 -0.99 3.04 3.72 0.35 -5.02 117.46 114.60 3h1y n PHE 78 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3h1y n PHE 78 Cb 0.79 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 3h1y n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h1y n GLY 79 N 2.96 0.41 3.77 1.37 0.00 -0.88 -4.93 105.19 107.89 3h1y n GLY 79 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3h1y n GLY 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h1y s GLU 80 N -0.46 0.85 -0.07 1.61 -1.05 -1.26 -5.01 118.70 113.31 3h1y s GLU 80 Ca 0.00 -0.51 -0.29 0.00 -0.15 0.00 0.00 54.97 54.02 3h1y s GLU 80 Cb 0.00 0.27 -0.07 0.00 -0.44 0.00 0.00 34.13 33.89 3h1y s GLU 80 CO 0.00 -0.39 1.94 -1.17 0.95 0.00 0.00 175.26 176.59 3h1y s LEU 81 N -3.19 4.11 0.00 1.83 2.96 -1.26 -4.85 118.68 118.28 3h1y s LEU 81 Ca 0.18 2.28 0.11 0.00 -0.22 0.00 0.00 54.13 56.47 3h1y s LEU 81 Cb 0.01 -3.53 0.32 0.00 0.50 0.00 0.00 46.19 43.49 3h1y s LEU 81 CO 0.01 -1.29 1.26 -0.81 -1.32 0.00 0.00 176.35 174.20 3h1y n PRO 82 N 7.80 1.71 -3.97 0.98 -0.04 -1.26 -4.87 135.00 135.35 3h1y n PRO 82 Ca 0.22 -1.10 -0.09 0.00 -0.04 0.00 0.00 63.50 62.49 3h1y n PRO 82 Cb 0.43 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 3h1y n PRO 82 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3h1y s PHE 83 N -1.61 0.25 -0.08 0.54 -0.71 -1.26 -4.55 117.98 110.56 3h1y s PHE 83 Ca 0.22 -0.54 0.05 0.00 -1.04 0.00 0.00 56.93 55.62 3h1y s PHE 83 Cb 0.11 -0.19 -0.00 0.00 -1.21 0.00 0.00 43.02 41.73 3h1y s PHE 83 CO 0.15 -0.25 -0.24 -1.17 -1.34 0.00 0.00 175.22 172.37 3h1y s LEU 84 N -1.71 2.06 -0.20 -1.99 2.96 0.11 -4.63 118.68 115.27 3h1y s LEU 84 Ca -0.12 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.25 3h1y s LEU 84 Cb -0.06 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.27 3h1y s LEU 84 CO -0.02 0.19 -0.11 0.12 -1.32 0.00 0.00 176.35 175.21 3h1y s PHE 85 N 0.15 2.88 0.09 5.38 5.36 -0.80 -1.49 117.98 129.56 3h1y s PHE 85 Ca -0.13 -1.24 0.09 0.00 -0.96 0.00 0.00 56.93 54.69 3h1y s PHE 85 Cb -0.16 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 3h1y s PHE 85 CO 0.07 -0.66 -0.22 0.15 -1.46 0.00 0.00 175.22 173.09 3h1y s LYS 86 N 1.40 1.27 -0.22 10.12 1.02 0.32 0.16 119.74 133.80 3h1y s LYS 86 Ca 0.05 -1.15 -0.13 0.00 0.02 0.00 0.00 55.97 54.76 3h1y s LYS 86 Cb -0.14 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.58 3h1y s LYS 86 CO -0.07 0.37 0.26 0.08 -0.92 0.00 0.00 175.35 175.07 3h1y s VAL 87 N -1.05 5.29 -0.16 3.17 1.01 -0.35 -0.41 120.40 127.90 3h1y s VAL 87 Ca 0.08 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 3h1y s VAL 87 Cb -0.10 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3h1y s VAL 87 CO 0.04 0.31 0.03 -0.76 0.00 0.00 0.00 175.10 174.72 3h1y s LEU 88 N 1.13 3.67 -0.47 3.92 1.02 0.19 -0.76 118.68 127.39 3h1y s LEU 88 Ca 0.13 0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.37 3h1y s LEU 88 Cb -0.14 -1.90 0.13 0.00 0.02 0.00 0.00 46.19 44.29 3h1y s LEU 88 CO 0.06 0.22 0.22 0.00 0.02 0.00 0.00 176.35 176.86 3h1y s ALA 90 N 0.10 3.19 -0.54 0.00 0.00 -0.24 -2.89 121.76 121.37 3h1y s ALA 90 Ca 0.16 -1.69 0.23 0.00 0.00 0.00 0.00 51.96 50.67 3h1y s ALA 90 Cb -0.24 -3.73 0.15 0.00 0.00 0.00 0.00 23.12 19.30 3h1y s ALA 90 CO -0.02 -2.53 1.13 0.00 0.00 0.00 0.00 175.76 174.35 3h1y n ALA 91 N 7.33 3.04 -2.45 0.00 0.00 -0.59 -2.14 120.51 125.70 3h1y n ALA 91 Ca -0.03 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 3h1y n ALA 91 Cb 0.46 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.73 3h1y n ALA 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h1y s GLN 92 N -3.22 0.92 0.28 0.00 -0.21 -1.16 -5.00 119.66 111.26 3h1y s GLN 92 Ca 0.04 -1.22 -0.29 0.00 0.02 0.00 0.00 55.36 53.90 3h1y s GLN 92 Cb 0.13 -0.62 -0.10 0.00 1.00 0.00 0.00 33.01 33.42 3h1y s GLN 92 CO 0.77 0.10 1.26 -2.14 -2.12 0.00 0.00 175.29 173.16 3h1y s PRO 93 N -2.92 4.43 0.48 2.91 0.02 -1.18 -4.69 135.00 134.05 3h1y s PRO 93 Ca 0.08 2.08 0.08 0.00 0.02 0.00 0.00 61.00 63.26 3h1y s PRO 93 Cb -0.02 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.39 3h1y s PRO 93 CO 0.01 -0.11 0.50 -0.51 -0.33 0.00 0.00 177.00 176.55 3h1y s LEU 94 N -1.26 3.20 0.64 -5.54 1.43 -0.25 -5.00 118.68 111.90 3h1y s LEU 94 Ca 0.50 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 3h1y s LEU 94 Cb -0.37 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3h1y s LEU 94 CO 0.46 -0.92 1.15 -0.94 0.23 0.00 0.00 176.35 176.33 3h1y s SER 95 N -4.31 5.06 -0.01 2.29 1.04 -1.25 -4.60 113.70 111.93 3h1y s SER 95 Ca 0.49 2.19 -0.30 0.00 0.48 0.00 0.00 55.95 58.80 3h1y s SER 95 Cb -0.04 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 3h1y s SER 95 CO 0.29 -1.67 1.02 -0.63 0.98 0.00 0.00 173.24 173.23 3h1y s ILE 96 N -2.00 4.73 0.14 -1.02 1.01 -0.44 -4.57 121.20 119.05 3h1y s ILE 96 Ca 0.72 1.96 0.08 0.00 0.00 0.00 0.00 60.65 63.41 3h1y s ILE 96 Cb -0.25 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 3h1y s ILE 96 CO 0.38 0.13 -0.19 -1.10 0.00 0.00 0.00 174.94 174.16 3h1y s GLN 97 N 1.17 1.21 -0.04 2.79 -0.21 0.13 -0.87 119.66 123.83 3h1y s GLN 97 Ca 0.53 -1.32 0.01 0.00 0.02 0.00 0.00 55.36 54.59 3h1y s GLN 97 Cb -0.22 -1.30 0.02 0.00 1.00 0.00 0.00 33.01 32.51 3h1y s GLN 97 CO 0.27 0.27 -0.04 0.08 -2.12 0.00 0.00 175.29 173.75 3h1y s VAL 98 N -1.81 0.52 -0.31 1.09 1.01 0.04 -1.63 120.40 119.31 3h1y s VAL 98 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 3h1y s VAL 98 Cb -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3h1y s VAL 98 CO 0.06 0.22 0.16 -1.00 0.00 0.00 0.00 175.10 174.54 3h1y s HIS 99 N 0.93 3.18 0.81 5.22 0.09 -1.26 -1.01 115.29 123.25 3h1y s HIS 99 Ca -0.11 -0.41 -0.13 0.00 -0.00 0.00 0.00 55.06 54.42 3h1y s HIS 99 Cb -0.14 -2.37 0.08 0.00 -0.00 0.00 0.00 32.58 30.15 3h1y s HIS 99 CO -0.00 -0.39 1.18 -2.14 -0.00 0.00 0.00 174.74 173.39 3h1y s PRO 100 N 1.65 1.68 1.16 8.40 0.02 -1.26 0.02 135.00 146.67 3h1y s PRO 100 Ca 0.05 1.65 -0.19 0.00 0.02 0.00 0.00 61.00 62.53 3h1y s PRO 100 Cb -0.17 -1.79 0.27 0.00 0.02 0.00 0.00 34.50 32.83 3h1y s PRO 100 CO 0.07 -2.16 1.14 0.54 -0.33 0.00 0.00 177.00 176.27 3h1y s ASN 101 N -2.37 1.31 0.11 2.53 2.20 -1.26 -4.65 114.94 112.81 3h1y s ASN 101 Ca 0.71 0.58 -0.23 0.00 -0.94 0.00 0.00 52.86 52.98 3h1y s ASN 101 Cb -0.26 -0.80 -0.08 0.00 -2.00 0.00 0.00 41.25 38.11 3h1y s ASN 101 CO 0.51 -3.88 1.69 0.50 -2.94 0.00 0.00 177.10 172.99 3h1y h LYS 102 N -2.41 -0.16 -0.24 3.55 3.64 -1.89 -0.25 116.57 118.80 3h1y h LYS 102 Ca -0.45 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 3h1y h LYS 102 Cb 1.28 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 3h1y h LYS 102 CO 0.35 -0.11 0.06 -0.09 -2.27 0.00 0.00 179.45 177.40 3h1y h ARG 103 N -0.16 0.16 0.00 1.90 2.43 -1.93 -2.15 114.38 114.63 3h1y h ARG 103 Ca 0.05 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3h1y h ARG 103 Cb 0.22 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3h1y h ARG 103 CO -0.12 0.11 -0.34 -0.91 -1.51 0.00 0.00 179.97 177.20 3h1y h ASN 104 N 0.16 0.00 -0.49 -3.80 2.35 -1.88 -2.68 115.58 109.24 3h1y h ASN 104 Ca 0.11 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 3h1y h ASN 104 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3h1y h ASN 104 CO -0.12 0.34 -0.14 0.28 -1.65 0.00 0.00 177.43 176.13 3h1y h SER 105 N 0.00 0.97 -0.58 5.81 0.02 -0.80 -0.89 113.55 118.08 3h1y h SER 105 Ca -0.00 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.58 3h1y h SER 105 Cb 0.98 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 3h1y h SER 105 CO 0.04 1.12 0.38 -0.33 -1.14 0.00 0.00 176.83 176.90 3h1y h GLU 106 N 0.81 0.76 0.14 3.45 5.08 -1.08 -0.55 114.58 123.19 3h1y h GLU 106 Ca 0.12 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3h1y h GLU 106 Cb 0.70 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3h1y h GLU 106 CO 0.05 0.50 -0.07 0.82 -1.00 0.00 0.00 179.01 179.32 3h1y h ILE 107 N 0.78 1.01 -0.79 3.13 2.04 -1.39 -2.21 117.51 120.08 3h1y h ILE 107 Ca 0.21 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3h1y h ILE 107 Cb -0.09 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3h1y h ILE 107 CO -0.05 0.16 0.31 1.23 0.00 0.00 0.00 178.15 179.81 3h1y h GLY 108 N -0.52 1.26 0.65 5.37 0.00 -1.14 0.24 103.07 108.93 3h1y h GLY 108 Ca -0.02 -0.68 0.05 0.00 0.00 0.00 0.00 47.33 46.67 3h1y h GLY 108 CO 0.03 0.65 0.13 -2.75 0.00 0.00 0.00 176.54 174.60 3h1y h PHE 109 N 1.15 0.23 -0.46 5.60 3.57 -1.11 -0.50 116.94 125.41 3h1y h PHE 109 Ca 0.26 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 3h1y h PHE 109 Cb 0.22 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3h1y h PHE 109 CO 0.02 0.09 -0.16 0.00 -2.23 0.00 0.00 178.31 176.03 3h1y h ALA 110 N 1.25 0.84 0.00 2.41 0.00 -0.92 -0.44 119.26 122.41 3h1y h ALA 110 Ca 0.18 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h1y h ALA 110 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h1y h ALA 110 CO -0.19 0.65 -0.04 0.87 0.00 0.00 0.00 179.25 180.54 3h1y h LYS 111 N 0.79 -0.07 -0.26 0.00 1.57 -0.20 0.86 116.57 119.26 3h1y h LYS 111 Ca 0.12 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 3h1y h LYS 111 Cb 0.69 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3h1y h LYS 111 CO 0.05 -0.05 -0.33 0.93 -0.57 0.00 0.00 179.45 179.48 3h1y h GLU 112 N -0.08 0.56 0.02 3.15 5.08 -0.94 -1.56 114.58 120.81 3h1y h GLU 112 Ca 0.02 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3h1y h GLU 112 Cb 0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3h1y h GLU 112 CO -0.04 0.82 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.87 3h1y h ASN 113 N 0.48 -0.02 0.07 1.42 2.35 -0.90 -1.85 115.58 117.13 3h1y h ASN 113 Ca 0.05 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3h1y h ASN 113 Cb 0.81 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 3h1y h ASN 113 CO 0.07 0.14 -0.07 0.00 -1.65 0.00 0.00 177.43 175.92 3h1y h ALA 114 N 0.80 1.86 0.00 -0.83 0.00 -0.72 0.92 119.26 121.29 3h1y h ALA 114 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h1y h ALA 114 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h1y h ALA 114 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3h1y n ALA 115 N -2.51 2.43 -2.38 0.00 0.00 -0.60 -4.91 120.51 112.55 3h1y n ALA 115 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 3h1y n ALA 115 Cb 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3h1y n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1y n GLY 116 N 1.21 -0.08 3.65 0.00 0.00 0.32 -4.99 105.19 105.30 3h1y n GLY 116 Ca 0.13 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3h1y n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1y s ILE 117 N -2.69 4.55 0.43 -0.61 1.01 -0.74 -4.99 121.20 118.16 3h1y s ILE 117 Ca 0.06 1.82 -0.23 0.00 0.00 0.00 0.00 60.65 62.29 3h1y s ILE 117 Cb -0.02 -4.35 -0.11 0.00 0.01 0.00 0.00 42.46 37.99 3h1y s ILE 117 CO 0.07 -0.35 0.86 -2.65 0.00 0.00 0.00 174.94 172.86 3h1y n PRO 118 N 6.67 1.05 0.26 2.79 -0.02 -1.26 -4.77 135.00 139.72 3h1y n PRO 118 Ca 0.12 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 3h1y n PRO 118 Cb 0.47 -1.87 0.69 0.00 -0.02 0.00 0.00 33.50 32.76 3h1y n PRO 118 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3h1y h MET 119 N 1.22 0.00 -0.52 -0.52 4.05 -1.97 -2.46 114.93 114.73 3h1y h MET 119 Ca -0.43 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 58.65 3h1y h MET 119 Cb 1.36 0.00 -0.22 0.00 -0.80 0.00 0.00 31.60 31.94 3h1y h MET 119 CO 0.55 0.11 -0.22 -0.40 0.23 0.00 0.00 176.91 177.18 3h1y n ASP 120 N -3.93 3.75 -4.88 1.39 3.85 -1.26 -4.90 116.55 110.57 3h1y n ASP 120 Ca -0.02 -3.80 -0.31 0.00 -0.71 0.00 0.00 54.79 49.95 3h1y n ASP 120 Cb 0.20 -0.58 -0.05 0.00 -1.35 0.00 0.00 41.12 39.34 3h1y n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3h1y s ALA 121 N -3.43 3.51 0.28 2.12 0.00 -0.93 -4.99 121.76 118.32 3h1y s ALA 121 Ca 0.48 -0.29 0.34 0.00 0.00 0.00 0.00 51.96 52.50 3h1y s ALA 121 Cb 0.42 -2.49 1.58 0.00 0.00 0.00 0.00 23.12 22.63 3h1y s ALA 121 CO 0.00 0.33 2.07 0.00 0.00 0.00 0.00 175.76 178.17 3h1y h ALA 122 N 2.08 1.04 0.00 0.00 0.00 -1.94 -1.37 119.26 119.07 3h1y h ALA 122 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3h1y h ALA 122 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3h1y h ALA 122 CO 0.67 0.05 0.00 0.39 0.00 0.00 0.00 179.25 180.36 3h1y n GLU 123 N -3.19 0.18 -2.53 0.00 4.71 -1.26 -4.81 120.64 113.74 3h1y n GLU 123 Ca -0.01 0.26 -0.43 0.00 -0.01 0.00 0.00 57.16 56.97 3h1y n GLU 123 Cb 0.25 -1.76 -0.02 0.00 -1.01 0.00 0.00 31.44 28.90 3h1y n GLU 123 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 3h1y s ARG 124 N -3.15 3.90 -0.19 3.49 6.06 -0.52 -4.89 118.95 123.65 3h1y s ARG 124 Ca 0.09 1.01 0.10 0.00 -2.50 0.00 0.00 55.73 54.43 3h1y s ARG 124 Cb 0.12 -3.85 -0.22 0.00 0.06 0.00 0.00 34.95 31.06 3h1y s ARG 124 CO 0.50 -1.14 0.07 0.09 -2.50 0.00 0.00 175.30 172.32 3h1y n ASN 125 N 7.51 0.92 -4.38 -2.12 3.02 -1.26 -4.89 115.26 114.06 3h1y n ASN 125 Ca 0.13 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.34 3h1y n ASN 125 Cb 0.47 0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 39.78 3h1y n ASN 125 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h1y s TYR 126 N -2.52 3.13 -0.35 3.10 2.02 -1.26 -0.88 117.35 120.59 3h1y s TYR 126 Ca -0.18 -0.81 0.04 0.00 -0.37 0.00 0.00 57.07 55.75 3h1y s TYR 126 Cb 0.07 -2.27 0.08 0.00 -0.40 0.00 0.00 41.96 39.45 3h1y s TYR 126 CO 0.75 -0.52 0.96 1.63 -1.57 0.00 0.00 175.55 176.80 3h1y n LYS 127 N 4.90 2.03 -3.70 -0.62 5.02 -1.05 -4.70 118.16 120.04 3h1y n LYS 127 Ca -0.15 -1.43 -0.11 0.00 -2.02 0.00 0.00 58.31 54.61 3h1y n LYS 127 Cb 0.49 -1.09 -0.10 0.00 -0.02 0.00 0.00 35.03 34.31 3h1y n LYS 127 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3h1y s ASP 128 N -0.81 -0.52 0.00 4.39 2.15 -1.26 -4.67 116.67 115.95 3h1y s ASP 128 Ca 0.07 0.91 0.00 0.00 0.43 0.00 0.00 52.55 53.96 3h1y s ASP 128 Cb 0.04 0.82 0.00 0.00 -0.30 0.00 0.00 42.92 43.48 3h1y s ASP 128 CO 0.05 -0.19 0.44 -0.81 -0.17 0.00 0.00 175.17 174.50 3h1y n PRO 129 N 3.93 0.79 -4.12 4.34 -0.04 -1.26 -4.58 135.00 134.06 3h1y n PRO 129 Ca -0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.17 3h1y n PRO 129 Cb 0.56 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 3h1y n PRO 129 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3h1y s ASN 130 N -0.31 0.76 -0.16 3.54 3.84 -1.26 -3.41 114.94 117.94 3h1y s ASN 130 Ca 0.00 -1.00 -0.07 0.00 0.21 0.00 0.00 52.86 51.99 3h1y s ASN 130 Cb 0.00 0.16 -0.04 0.00 -0.55 0.00 0.00 41.25 40.81 3h1y s ASN 130 CO 0.00 -0.54 0.09 -2.28 -2.79 0.00 0.00 177.10 171.58 3h1y s HIS 131 N -3.80 3.38 0.10 0.43 5.65 -1.26 -4.87 115.29 114.92 3h1y s HIS 131 Ca 0.09 0.28 0.06 0.00 0.25 0.00 0.00 55.06 55.75 3h1y s HIS 131 Cb 0.07 -2.03 -0.03 0.00 -1.18 0.00 0.00 32.58 29.41 3h1y s HIS 131 CO -0.08 0.39 -0.16 0.15 -0.65 0.00 0.00 174.74 174.39 3h1y s LYS 132 N -0.18 1.00 0.55 2.88 3.01 -1.26 -4.86 119.74 120.87 3h1y s LYS 132 Ca 0.09 -1.12 -0.19 0.00 -1.01 0.00 0.00 55.97 53.74 3h1y s LYS 132 Cb -0.12 -1.05 -0.09 0.00 -1.01 0.00 0.00 37.83 35.56 3h1y s LYS 132 CO 0.01 0.23 0.52 -0.35 0.51 0.00 0.00 175.35 176.27 3h1y n PRO 133 N 0.96 0.53 -3.96 -1.68 -0.04 -1.26 -4.93 135.00 124.62 3h1y n PRO 133 Ca -0.19 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 3h1y n PRO 133 Cb 0.55 -1.67 -0.16 0.00 -0.04 0.00 0.00 33.50 32.18 3h1y n PRO 133 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3h1y s GLU 134 N -1.99 0.34 -0.11 0.54 2.12 -1.26 -4.40 118.70 113.93 3h1y s GLU 134 Ca 0.68 0.05 0.02 0.00 0.36 0.00 0.00 54.97 56.08 3h1y s GLU 134 Cb -0.47 -0.48 -0.00 0.00 0.26 0.00 0.00 34.13 33.43 3h1y s GLU 134 CO 0.55 -0.11 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.79 3h1y s LEU 135 N 0.91 2.31 -0.09 2.70 2.96 -0.50 -0.49 118.68 126.47 3h1y s LEU 135 Ca -0.09 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.35 3h1y s LEU 135 Cb -0.13 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3h1y s LEU 135 CO -0.01 0.16 -0.14 0.54 -1.32 0.00 0.00 176.35 175.58 3h1y s VAL 136 N 0.37 3.05 -0.15 1.68 0.11 -0.35 -0.84 120.40 124.28 3h1y s VAL 136 Ca -0.16 -0.69 -0.00 0.00 -2.93 0.00 0.00 61.98 58.20 3h1y s VAL 136 Cb -0.17 -2.24 0.03 0.00 -1.53 0.00 0.00 36.38 32.48 3h1y s VAL 136 CO 0.07 0.56 -0.07 0.12 -3.33 0.00 0.00 175.10 172.45 3h1y s PHE 137 N -0.18 1.70 0.16 1.54 5.36 0.75 -1.03 117.98 126.29 3h1y s PHE 137 Ca -0.00 -1.00 -0.31 0.00 -0.96 0.00 0.00 56.93 54.66 3h1y s PHE 137 Cb -0.13 -1.33 -0.09 0.00 -0.34 0.00 0.00 43.02 41.13 3h1y s PHE 137 CO 0.03 -0.59 1.42 0.00 -1.46 0.00 0.00 175.22 174.62 3h1y s ALA 138 N 1.63 3.63 -0.25 11.12 0.00 -0.19 0.09 121.76 137.80 3h1y s ALA 138 Ca 0.02 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3h1y s ALA 138 Cb -0.14 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.27 3h1y s ALA 138 CO -0.08 -0.65 -0.22 1.28 0.00 0.00 0.00 175.76 176.09 3h1y n LEU 139 N 3.54 2.94 -4.70 0.00 4.77 0.03 -0.99 117.00 122.59 3h1y n LEU 139 Ca 0.11 -0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.68 3h1y n LEU 139 Cb 0.41 -0.85 -0.09 0.00 -2.33 0.00 0.00 43.42 40.56 3h1y n LEU 139 CO 0.59 0.90 -0.24 0.42 -1.33 0.00 0.00 177.39 177.73 3h1y s THR 140 N -2.49 1.70 0.16 -5.08 -4.23 -0.87 -4.71 115.64 100.12 3h1y s THR 140 Ca -0.33 -1.94 -0.34 0.00 -1.18 0.00 0.00 61.69 57.90 3h1y s THR 140 Cb 0.09 -2.64 -0.14 0.00 1.34 0.00 0.00 72.50 71.15 3h1y s THR 140 CO 0.56 0.00 1.51 -2.65 -0.54 0.00 0.00 174.62 173.50 3h1y n PRO 141 N -1.15 1.94 -4.00 3.99 -0.02 -1.26 -4.39 135.00 130.10 3h1y n PRO 141 Ca -0.10 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 3h1y n PRO 141 Cb 0.67 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.56 3h1y n PRO 141 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3h1y s PHE 142 N 0.69 2.48 -0.04 6.00 5.36 -0.35 -4.38 117.98 127.73 3h1y s PHE 142 Ca 0.78 -1.64 -0.21 0.00 -0.96 0.00 0.00 56.93 54.91 3h1y s PHE 142 Cb -0.73 -1.66 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 3h1y s PHE 142 CO 0.41 -0.75 0.59 -1.17 -1.46 0.00 0.00 175.22 172.84 3h1y s LEU 143 N 1.38 4.37 0.23 6.12 2.96 0.94 -0.36 118.68 134.31 3h1y s LEU 143 Ca -0.02 1.09 -0.15 0.00 -0.22 0.00 0.00 54.13 54.83 3h1y s LEU 143 Cb -0.16 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.63 3h1y s LEU 143 CO -0.08 0.04 0.51 0.00 -1.32 0.00 0.00 176.35 175.50 3h1y s ALA 144 N 0.18 -0.62 0.06 5.97 0.00 -0.04 -0.33 121.76 126.99 3h1y s ALA 144 Ca 0.31 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.79 3h1y s ALA 144 Cb -0.17 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 3h1y s ALA 144 CO 0.16 -0.85 -0.17 -1.64 0.00 0.00 0.00 175.76 173.26 3h1y s MET 145 N -3.95 2.01 -0.25 0.00 -1.94 0.53 0.06 119.30 115.76 3h1y s MET 145 Ca 0.15 -1.03 -0.06 0.00 -1.71 0.00 0.00 55.69 53.05 3h1y s MET 145 Cb -0.01 -2.18 0.13 0.00 2.01 0.00 0.00 34.83 34.77 3h1y s MET 145 CO 0.04 0.52 0.50 1.21 -0.01 0.00 0.00 175.02 177.28 3h1y s ASN 146 N -1.67 -0.58 0.23 3.03 2.47 -0.51 -0.99 114.94 116.91 3h1y s ASN 146 Ca 0.16 0.95 0.00 0.00 0.42 0.00 0.00 52.86 54.39 3h1y s ASN 146 Cb -0.11 1.69 0.00 0.00 -1.45 0.00 0.00 41.25 41.38 3h1y s ASN 146 CO 0.07 -0.25 0.00 0.00 -3.72 0.00 0.00 177.10 173.20 3h1y n ALA 147 N 5.41 -1.36 -1.76 1.71 0.00 0.05 -3.77 120.51 120.79 3h1y n ALA 147 Ca -0.07 0.33 -0.40 0.00 0.00 0.00 0.00 53.44 53.30 3h1y n ALA 147 Cb 0.50 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 3h1y n ALA 147 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3h1y s PHE 148 N -3.56 3.34 0.88 0.00 0.08 -1.26 -1.01 117.98 116.44 3h1y s PHE 148 Ca 0.00 1.59 -0.11 0.00 0.12 0.00 0.00 56.93 58.53 3h1y s PHE 148 Cb 0.00 -3.42 0.12 0.00 -0.57 0.00 0.00 43.02 39.15 3h1y s PHE 148 CO 0.00 -1.05 1.09 1.03 -0.10 0.00 0.00 175.22 176.19 3h1y s ARG 149 N -1.69 1.40 0.38 0.44 0.52 -0.20 0.03 118.95 119.83 3h1y s ARG 149 Ca 0.48 1.02 -0.27 0.00 -0.52 0.00 0.00 55.73 56.44 3h1y s ARG 149 Cb -0.34 -1.81 -0.11 0.00 0.52 0.00 0.00 34.95 33.21 3h1y s ARG 149 CO 0.44 -2.20 1.38 0.39 0.02 0.00 0.00 175.30 175.33 3h1y n GLU 150 N -3.88 2.33 -0.32 3.54 1.02 -1.26 -4.46 120.64 117.61 3h1y n GLU 150 Ca 0.08 0.82 0.18 0.00 -0.02 0.00 0.00 57.16 58.22 3h1y n GLU 150 Cb 0.54 -2.51 0.43 0.00 -0.02 0.00 0.00 31.44 29.88 3h1y n GLU 150 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3h1y h PHE 151 N 2.61 0.84 0.00 -0.32 0.04 -1.93 -0.24 116.94 117.94 3h1y h PHE 151 Ca -0.49 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.20 3h1y h PHE 151 Cb 1.27 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 3h1y h PHE 151 CO 0.51 0.13 -0.55 0.66 -0.60 0.00 0.00 178.31 178.47 3h1y h SER 152 N 0.55 0.00 -0.39 2.17 4.64 -1.94 -1.65 113.55 116.93 3h1y h SER 152 Ca 0.58 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.78 3h1y h SER 152 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3h1y h SER 152 CO -0.33 0.55 -0.21 -0.78 -0.87 0.00 0.00 176.83 175.18 3h1y h ASP 153 N 0.00 0.86 -0.52 4.97 3.58 -1.40 -2.25 116.42 121.66 3h1y h ASP 153 Ca -0.01 -0.41 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 3h1y h ASP 153 Cb 1.03 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 3h1y h ASP 153 CO 0.07 1.09 0.15 0.40 -2.88 0.00 0.00 179.24 178.07 3h1y h ILE 154 N 0.64 1.23 -0.20 2.25 2.04 -1.24 -1.24 117.51 121.00 3h1y h ILE 154 Ca 0.08 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.18 3h1y h ILE 154 Cb 0.77 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3h1y h ILE 154 CO 0.06 0.29 -0.03 0.58 0.00 0.00 0.00 178.15 179.05 3h1y h VAL 155 N 0.71 0.83 -0.92 1.67 2.07 -1.28 0.16 116.25 119.48 3h1y h VAL 155 Ca 0.16 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.72 3h1y h VAL 155 Cb 0.29 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 3h1y h VAL 155 CO -0.00 0.00 0.59 -1.28 0.02 0.00 0.00 177.57 176.90 3h1y h SER 156 N 0.02 0.96 1.05 0.57 0.87 -1.22 -2.68 113.55 113.12 3h1y h SER 156 Ca 0.09 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 3h1y h SER 156 Cb 0.13 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3h1y h SER 156 CO -0.19 0.64 -0.58 -0.07 -0.53 0.00 0.00 176.83 176.10 3h1y h LEU 157 N 1.11 0.00 0.00 2.23 3.38 -0.54 -3.25 115.31 118.24 3h1y h LEU 157 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3h1y h LEU 157 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h1y h LEU 157 CO -0.14 0.58 -0.48 0.18 0.09 0.00 0.00 178.44 178.66 3h1y n LEU 158 N -3.43 0.65 -0.10 1.67 4.77 -0.02 -4.28 117.00 116.25 3h1y n LEU 158 Ca 0.00 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.18 3h1y n LEU 158 Cb 0.69 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3h1y n LEU 158 CO 0.41 -0.05 0.94 1.56 -1.33 0.00 0.00 177.39 178.92 3h1y h GLN 159 N 0.00 0.27 0.00 3.23 4.20 -1.52 -0.53 115.11 120.75 3h1y h GLN 159 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3h1y h GLN 159 Cb 0.70 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3h1y h GLN 159 CO 0.00 0.18 0.00 -1.35 -0.67 0.00 0.00 178.83 176.99 3h1y h PRO 160 N 0.27 0.00 0.00 1.46 0.11 -1.80 -2.06 132.00 129.98 3h1y h PRO 160 Ca 0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 3h1y h PRO 160 Cb 0.13 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.18 3h1y h PRO 160 CO -0.16 0.00 -0.46 1.33 -0.21 0.00 0.00 178.00 178.50 3h1y n VAL 161 N -2.40 1.62 -0.19 3.15 0.24 -0.34 -4.82 118.33 115.60 3h1y n VAL 161 Ca -0.01 -2.41 0.19 0.00 -2.04 0.00 0.00 64.34 60.07 3h1y n VAL 161 Cb 0.10 0.01 0.55 0.00 -1.47 0.00 0.00 33.84 33.03 3h1y n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h1y h ALA 162 N 0.67 2.28 -0.03 2.33 0.00 -0.45 -1.63 119.26 122.44 3h1y h ALA 162 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h1y h ALA 162 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h1y h ALA 162 CO 0.02 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.16 3h1y n GLY 163 N -1.55 -0.21 0.25 0.00 0.00 -1.26 -3.99 105.19 98.44 3h1y n GLY 163 Ca 0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 3h1y n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1y h ALA 164 N 4.21 1.23 -1.91 4.61 0.00 -1.62 -3.46 119.26 122.33 3h1y h ALA 164 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3h1y h ALA 164 Cb 0.38 -0.14 -0.21 0.00 0.00 0.00 0.00 17.79 17.82 3h1y h ALA 164 CO 0.00 0.50 0.22 -1.58 0.00 0.00 0.00 179.25 178.39 3h1y s HIS 165 N -4.73 -0.68 0.48 0.00 5.65 -1.26 -3.86 115.29 110.89 3h1y s HIS 165 Ca -0.07 1.54 0.13 0.00 0.25 0.00 0.00 55.06 56.91 3h1y s HIS 165 Cb 0.15 0.33 1.12 0.00 -1.18 0.00 0.00 32.58 32.99 3h1y s HIS 165 CO 0.78 -0.41 2.10 0.66 -0.65 0.00 0.00 174.74 177.22 3h1y h SER 166 N 4.25 0.12 -0.46 9.88 4.64 -1.88 -0.84 113.55 129.26 3h1y h SER 166 Ca -0.28 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 3h1y h SER 166 Cb 1.16 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3h1y h SER 166 CO 0.16 0.12 0.30 0.00 -0.87 0.00 0.00 176.83 176.54 3h1y h ALA 167 N 1.90 1.81 -0.27 5.18 0.00 -1.96 0.29 119.26 126.21 3h1y h ALA 167 Ca 0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3h1y h ALA 167 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h1y h ALA 167 CO -0.00 0.13 -0.33 0.82 0.00 0.00 0.00 179.25 179.87 3h1y h ILE 168 N 0.49 1.30 -0.64 0.00 2.04 -1.45 -1.80 117.51 117.46 3h1y h ILE 168 Ca 0.19 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 3h1y h ILE 168 Cb 0.13 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3h1y h ILE 168 CO -0.05 0.48 0.32 0.00 0.00 0.00 0.00 178.15 178.91 3h1y h ALA 169 N 0.68 0.82 -0.78 1.87 0.00 -1.16 -1.85 119.26 118.83 3h1y h ALA 169 Ca 0.04 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h1y h ALA 169 Cb 0.91 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3h1y h ALA 169 CO 0.08 0.37 0.48 1.25 0.00 0.00 0.00 179.25 181.43 3h1y h HIS 170 N 0.87 0.90 -0.12 0.00 -0.00 -0.36 -2.01 115.15 114.43 3h1y h HIS 170 Ca 0.22 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.56 3h1y h HIS 170 Cb 0.09 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 3h1y h HIS 170 CO -0.00 0.48 -0.15 0.35 -0.00 0.00 0.00 177.93 178.60 3h1y h PHE 171 N 0.91 0.39 -0.64 5.26 3.57 -1.08 -3.05 116.94 122.30 3h1y h PHE 171 Ca 0.33 -0.12 0.12 0.00 3.53 0.00 0.00 57.97 61.83 3h1y h PHE 171 Cb 0.11 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3h1y h PHE 171 CO -0.04 0.75 0.43 -0.07 -2.23 0.00 0.00 178.31 177.15 3h1y h LEU 172 N -0.08 0.35 -0.52 0.59 3.38 -1.08 -0.84 115.31 117.11 3h1y h LEU 172 Ca 0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3h1y h LEU 172 Cb 0.70 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3h1y h LEU 172 CO 0.04 0.20 -0.01 1.56 0.09 0.00 0.00 178.44 180.32 3h1y h GLN 173 N 0.39 0.92 -2.52 1.13 4.20 -1.27 -3.38 115.11 114.58 3h1y h GLN 173 Ca 0.30 -0.30 -0.54 0.00 0.06 0.00 0.00 58.65 58.18 3h1y h GLN 173 Cb 0.67 -0.08 -0.38 0.00 0.30 0.00 0.00 27.48 27.99 3h1y h GLN 173 CO -0.08 0.95 -0.81 0.08 -0.67 0.00 0.00 178.83 178.29 3h1y s VAL 174 N -5.00 0.02 -1.12 -0.54 1.01 -0.69 -5.08 120.40 108.99 3h1y s VAL 174 Ca -0.12 -1.41 -0.22 0.00 0.00 0.00 0.00 61.98 60.24 3h1y s VAL 174 Cb 0.12 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3h1y s VAL 174 CO 0.83 -0.88 1.72 -2.84 0.00 0.00 0.00 175.10 173.93 3h1y s PRO 175 N 1.34 3.35 0.28 2.72 0.02 -0.41 -4.71 135.00 137.60 3h1y s PRO 175 Ca 0.16 -1.28 0.03 0.00 0.02 0.00 0.00 61.00 59.93 3h1y s PRO 175 Cb -0.20 -5.35 -0.01 0.00 0.02 0.00 0.00 34.50 28.95 3h1y s PRO 175 CO -0.07 -2.74 0.12 0.27 -0.33 0.00 0.00 177.00 174.25 3h1y n ASN 176 N 10.56 0.85 -0.16 2.53 0.23 -1.26 -4.97 115.26 123.04 3h1y n ASN 176 Ca 0.42 -2.54 -0.11 0.00 -0.53 0.00 0.00 54.58 51.82 3h1y n ASN 176 Cb 0.48 0.81 -0.00 0.00 -2.08 0.00 0.00 39.78 38.98 3h1y n ASN 176 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h1y h ALA 177 N 1.53 0.64 -0.29 -2.53 0.00 -1.91 -0.78 119.26 115.92 3h1y h ALA 177 Ca -0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3h1y h ALA 177 Cb 0.86 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3h1y h ALA 177 CO 0.33 0.54 0.14 1.49 0.00 0.00 0.00 179.25 181.75 3h1y h GLU 178 N 0.74 0.42 0.00 0.00 4.81 -1.94 0.10 114.58 118.71 3h1y h GLU 178 Ca 0.12 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 3h1y h GLU 178 Cb 0.66 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3h1y h GLU 178 CO 0.05 0.40 -0.67 0.00 -0.73 0.00 0.00 179.01 178.05 3h1y h ARG 179 N 0.34 0.00 -0.57 1.92 3.08 -1.83 -0.63 114.38 116.68 3h1y h ARG 179 Ca 0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3h1y h ARG 179 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3h1y h ARG 179 CO -0.01 0.67 0.21 1.25 -1.07 0.00 0.00 179.97 181.02 3h1y h LEU 180 N 0.00 0.80 -0.21 3.04 5.85 -0.86 0.29 115.31 124.22 3h1y h LEU 180 Ca -0.01 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3h1y h LEU 180 Cb 1.28 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3h1y h LEU 180 CO 0.09 0.77 0.11 -1.28 -0.34 0.00 0.00 178.44 177.79 3h1y h SER 181 N 0.79 0.27 -0.94 1.25 0.87 -0.44 -0.07 113.55 115.27 3h1y h SER 181 Ca 0.19 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3h1y h SER 181 Cb 0.23 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 3h1y h SER 181 CO -0.01 0.28 0.59 1.56 -0.53 0.00 0.00 176.83 178.72 3h1y h GLN 182 N 0.23 1.27 -0.41 2.24 4.20 -0.96 -2.06 115.11 119.62 3h1y h GLN 182 Ca 0.07 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3h1y h GLN 182 Cb 0.07 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 3h1y h GLN 182 CO -0.01 0.87 0.17 1.25 -0.67 0.00 0.00 178.83 180.44 3h1y h LEU 183 N 1.30 0.56 -0.13 1.46 5.85 0.07 -0.56 115.31 123.86 3h1y h LEU 183 Ca 0.34 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3h1y h LEU 183 Cb -0.09 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3h1y h LEU 183 CO -0.07 0.56 0.08 0.15 -0.34 0.00 0.00 178.44 178.82 3h1y h PHE 184 N 0.52 0.17 -0.59 1.25 3.57 -0.84 -0.90 116.94 120.12 3h1y h PHE 184 Ca 0.14 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3h1y h PHE 184 Cb 0.17 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3h1y h PHE 184 CO -0.00 0.16 0.18 0.00 -2.23 0.00 0.00 178.31 176.41 3h1y h ALA 185 N 1.00 0.77 -0.34 2.41 0.00 -1.35 -2.65 119.26 119.10 3h1y h ALA 185 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h1y h ALA 185 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3h1y h ALA 185 CO -0.01 0.45 0.16 0.77 0.00 0.00 0.00 179.25 180.62 3h1y h SER 186 N 0.84 0.44 -0.05 0.00 0.02 -0.86 -1.88 113.55 112.06 3h1y h SER 186 Ca 0.19 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3h1y h SER 186 Cb 0.30 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3h1y h SER 186 CO -0.00 0.45 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.06 3h1y h LEU 187 N 0.40 -0.02 -1.81 5.07 3.38 -1.15 -2.33 115.31 118.85 3h1y h LEU 187 Ca 0.11 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3h1y h LEU 187 Cb 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3h1y h LEU 187 CO -0.01 -0.00 0.09 -0.07 0.09 0.00 0.00 178.44 178.53 3h1y h LEU 188 N 0.01 0.18 -1.09 1.67 3.38 -1.41 -2.38 115.31 115.68 3h1y h LEU 188 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h1y h LEU 188 Cb 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3h1y h LEU 188 CO -0.04 0.15 0.00 -3.20 0.09 0.00 0.00 178.44 175.44 3h1y n ASN 189 N -4.49 1.67 -4.76 -0.43 5.15 -0.71 -4.95 115.26 106.74 3h1y n ASN 189 Ca -0.01 -1.60 -0.41 0.00 -0.60 0.00 0.00 54.58 51.96 3h1y n ASN 189 Cb 0.09 -0.04 -0.00 0.00 -0.53 0.00 0.00 39.78 39.30 3h1y n ASN 189 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3h1y n MET 190 N 0.31 2.58 -4.26 1.20 2.81 -0.90 -4.99 117.12 113.87 3h1y n MET 190 Ca 0.18 0.91 -0.18 0.00 -1.81 0.00 0.00 57.70 56.80 3h1y n MET 190 Cb 0.37 -2.62 -0.13 0.00 -0.71 0.00 0.00 33.22 30.12 3h1y n MET 190 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3h1y s GLN 191 N -1.77 0.79 4.77 0.03 -1.52 -1.26 -4.71 119.66 115.98 3h1y s GLN 191 Ca 0.56 -0.70 0.00 0.00 -1.95 0.00 0.00 55.36 53.26 3h1y s GLN 191 Cb -0.50 -0.74 0.00 0.00 -0.22 0.00 0.00 33.01 31.55 3h1y s GLN 191 CO 0.61 0.18 0.00 0.41 -0.25 0.00 0.00 175.29 176.24 3h1y n GLY 192 N 1.90 3.27 0.19 3.09 0.00 -1.26 -2.07 105.19 110.32 3h1y n GLY 192 Ca -0.19 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 3h1y n GLY 192 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h1y h GLU 193 N 0.00 0.20 -0.53 1.61 5.08 -1.98 -1.15 114.58 117.80 3h1y h GLU 193 Ca 0.00 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3h1y h GLU 193 Cb 0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3h1y h GLU 193 CO 0.00 0.58 0.24 1.49 -1.00 0.00 0.00 179.01 180.32 3h1y h GLU 194 N 0.17 0.44 -0.09 2.33 4.81 -1.83 0.56 114.58 120.97 3h1y h GLU 194 Ca 0.02 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3h1y h GLU 194 Cb 0.79 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 3h1y h GLU 194 CO 0.06 0.29 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.38 3h1y h LYS 195 N 0.46 0.18 -0.10 1.92 3.64 -1.09 -2.56 116.57 119.02 3h1y h LYS 195 Ca 0.25 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3h1y h LYS 195 Cb 0.22 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3h1y h LYS 195 CO -0.21 0.52 -0.30 0.66 -2.27 0.00 0.00 179.45 177.85 3h1y h SER 196 N -0.17 0.18 -0.34 4.20 4.64 -1.14 -1.04 113.55 119.88 3h1y h SER 196 Ca 0.02 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3h1y h SER 196 Cb 0.46 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3h1y h SER 196 CO 0.01 0.49 0.04 -0.09 -0.87 0.00 0.00 176.83 176.41 3h1y h ARG 197 N 0.16 0.58 -0.74 4.77 2.43 -0.88 -1.24 114.38 119.47 3h1y h ARG 197 Ca 0.02 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 3h1y h ARG 197 Cb 0.62 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3h1y h ARG 197 CO 0.05 0.67 0.28 0.00 -1.51 0.00 0.00 179.97 179.46 3h1y h ALA 198 N 0.89 0.96 -0.08 2.80 0.00 -1.01 -2.01 119.26 120.81 3h1y h ALA 198 Ca 0.10 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3h1y h ALA 198 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h1y h ALA 198 CO 0.01 0.60 -0.49 -0.07 0.00 0.00 0.00 179.25 179.30 3h1y h LEU 199 N 1.07 0.21 -0.60 0.00 3.38 -1.16 -1.88 115.31 116.34 3h1y h LEU 199 Ca 0.24 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3h1y h LEU 199 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3h1y h LEU 199 CO -0.02 0.67 0.09 0.00 0.09 0.00 0.00 178.44 179.27 3h1y h ALA 200 N 1.34 0.79 -0.39 1.53 0.00 -0.95 0.19 119.26 121.77 3h1y h ALA 200 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3h1y h ALA 200 Cb 0.92 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3h1y h ALA 200 CO 0.07 0.55 0.16 0.28 0.00 0.00 0.00 179.25 180.32 3h1y h VAL 201 N 0.89 1.19 -0.71 0.00 2.07 -1.12 -1.98 116.25 116.60 3h1y h VAL 201 Ca 0.18 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3h1y h VAL 201 Cb 0.43 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3h1y h VAL 201 CO 0.01 0.20 0.32 0.25 0.02 0.00 0.00 177.57 178.38 3h1y h LEU 202 N 0.48 0.95 -0.82 2.57 5.85 -1.15 -2.31 115.31 120.87 3h1y h LEU 202 Ca 0.13 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3h1y h LEU 202 Cb 0.17 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3h1y h LEU 202 CO -0.01 0.83 0.38 0.11 -0.34 0.00 0.00 178.44 179.41 3h1y h LYS 203 N 1.00 1.18 -0.55 1.25 6.56 -0.81 -0.85 116.57 124.34 3h1y h LYS 203 Ca 0.24 -0.18 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 3h1y h LYS 203 Cb 0.15 -0.21 -0.03 0.00 -0.57 0.00 0.00 32.23 31.58 3h1y h LYS 203 CO -0.03 0.92 0.31 0.00 -2.06 0.00 0.00 179.45 178.59 3h1y h ALA 204 N 1.20 0.71 -0.71 3.86 0.00 -1.11 -2.38 119.26 120.84 3h1y h ALA 204 Ca 0.28 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3h1y h ALA 204 Cb 0.13 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3h1y h ALA 204 CO -0.03 0.22 0.40 0.00 0.00 0.00 0.00 179.25 179.84 3h1y h ALA 205 N 1.14 0.96 0.00 0.00 0.00 -0.87 -0.41 119.26 120.08 3h1y h ALA 205 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h1y h ALA 205 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3h1y h ALA 205 CO -0.03 0.08 0.24 -0.07 0.00 0.00 0.00 179.25 179.47 3h1y h LEU 206 N 0.73 0.00 0.00 0.00 3.38 -0.63 0.17 115.31 118.96 3h1y h LEU 206 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3h1y h LEU 206 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h1y h LEU 206 CO -0.19 0.00 -0.97 0.59 0.09 0.00 0.00 178.44 177.96 3h1y n ASN 207 N -2.58 0.69 0.00 -0.43 3.02 -0.17 -4.31 115.26 111.48 3h1y n ASN 207 Ca -0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3h1y n ASN 207 Cb 0.28 0.84 0.00 0.00 -0.61 0.00 0.00 39.78 40.29 3h1y n ASN 207 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3h1y n SER 208 N -1.71 1.39 -4.40 6.41 3.41 0.37 -5.02 113.62 114.07 3h1y n SER 208 Ca 0.03 -1.68 -0.30 0.00 -0.26 0.00 0.00 58.87 56.66 3h1y n SER 208 Cb 0.38 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.20 3h1y n SER 208 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3h1y s GLN 209 N -0.68 1.66 0.15 4.33 -1.52 0.07 -5.06 119.66 118.61 3h1y s GLN 209 Ca 0.00 -1.20 0.10 0.00 -1.95 0.00 0.00 55.36 52.31 3h1y s GLN 209 Cb 0.00 -1.99 -0.04 0.00 -0.22 0.00 0.00 33.01 30.76 3h1y s GLN 209 CO 0.00 0.49 -0.24 -0.65 -0.25 0.00 0.00 175.29 174.64 3h1y s GLN 210 N -1.73 1.38 1.21 2.91 -1.52 -1.26 -4.87 119.66 115.78 3h1y s GLN 210 Ca 0.14 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 52.16 3h1y s GLN 210 Cb -0.10 -1.71 0.00 0.00 -0.22 0.00 0.00 33.01 30.98 3h1y s GLN 210 CO 0.05 0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.89 3h1y n GLY 211 N 0.61 -1.88 3.81 3.09 0.00 -1.26 -4.78 105.19 104.78 3h1y n GLY 211 Ca -0.16 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 3h1y n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1y s GLU 212 N 0.00 4.33 0.00 1.61 0.41 -1.26 -1.63 118.70 122.16 3h1y s GLU 212 Ca 0.00 1.12 0.18 0.00 -0.41 0.00 0.00 54.97 55.86 3h1y s GLU 212 Cb 0.00 -2.47 0.56 0.00 -1.78 0.00 0.00 34.13 30.43 3h1y s GLU 212 CO 0.00 0.13 1.44 -0.35 -0.49 0.00 0.00 175.26 175.99 3h1y n PRO 213 N -0.09 1.94 -0.24 0.39 -0.04 -1.26 -4.90 135.00 130.79 3h1y n PRO 213 Ca 0.04 -1.44 0.07 0.00 -0.04 0.00 0.00 63.50 62.13 3h1y n PRO 213 Cb 0.52 -1.39 0.32 0.00 -0.04 0.00 0.00 33.50 32.91 3h1y n PRO 213 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3h1y h TRP 214 N 2.65 0.88 -0.49 0.54 4.06 -1.61 -1.86 115.95 120.12 3h1y h TRP 214 Ca 0.00 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 3h1y h TRP 214 Cb 0.59 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 3h1y h TRP 214 CO 0.20 0.43 0.20 0.37 -3.56 0.00 0.00 178.44 176.08 3h1y h GLN 215 N 0.84 0.72 -0.51 0.49 5.75 -1.66 -0.95 115.11 119.80 3h1y h GLN 215 Ca 0.37 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3h1y h GLN 215 Cb 0.34 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3h1y h GLN 215 CO -0.14 0.64 0.30 1.15 -2.65 0.00 0.00 178.83 178.13 3h1y h THR 216 N 0.65 1.16 -0.74 2.39 2.02 -1.66 -0.70 112.91 116.02 3h1y h THR 216 Ca 0.16 -0.35 0.07 0.00 0.77 0.00 0.00 66.41 67.06 3h1y h THR 216 Cb 0.18 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 3h1y h THR 216 CO -0.02 0.16 0.42 0.40 0.37 0.00 0.00 175.52 176.85 3h1y h ILE 217 N 0.68 0.97 -0.29 3.11 2.04 -1.02 0.12 117.51 123.10 3h1y h ILE 217 Ca 0.18 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3h1y h ILE 217 Cb -0.01 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3h1y h ILE 217 CO -0.03 0.14 0.17 0.03 0.00 0.00 0.00 178.15 178.46 3h1y h ARG 218 N 0.76 0.40 -0.01 2.37 3.08 -0.73 0.76 114.38 121.01 3h1y h ARG 218 Ca 0.33 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.36 3h1y h ARG 218 Cb 0.22 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3h1y h ARG 218 CO -0.20 0.32 -0.07 0.28 -1.07 0.00 0.00 179.97 179.24 3h1y h VAL 219 N 0.37 0.82 -0.82 2.04 2.07 -0.51 -2.82 116.25 117.40 3h1y h VAL 219 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 3h1y h VAL 219 Cb 0.03 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3h1y h VAL 219 CO -0.02 0.00 0.54 0.40 0.02 0.00 0.00 177.57 178.51 3h1y h ILE 220 N -0.12 1.19 0.00 4.57 2.04 -0.60 -2.61 117.51 121.98 3h1y h ILE 220 Ca 0.03 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3h1y h ILE 220 Cb 0.16 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3h1y h ILE 220 CO -0.08 0.20 -0.01 0.77 0.00 0.00 0.00 178.15 179.03 3h1y h SER 221 N 1.08 0.00 0.76 1.72 4.64 -0.59 -0.06 113.55 121.11 3h1y h SER 221 Ca 0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.57 3h1y h SER 221 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3h1y h SER 221 CO -0.08 0.01 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.27 3h1y h GLU 222 N 0.00 0.00 0.00 4.77 5.08 -1.44 -2.50 114.58 120.49 3h1y h GLU 222 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 3h1y h GLU 222 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3h1y h GLU 222 CO 0.00 0.29 -1.97 0.66 -1.00 0.00 0.00 179.01 176.98 3h1y n TYR 223 N -3.55 0.00 -3.14 4.33 4.01 -0.32 -4.74 117.16 113.75 3h1y n TYR 223 Ca -0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3h1y n TYR 223 Cb 0.43 -0.65 -0.04 0.00 -0.31 0.00 0.00 39.34 38.77 3h1y n TYR 223 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3h1y n TYR 224 N -2.43 1.32 0.31 -0.72 4.01 -0.19 -4.94 117.16 114.51 3h1y n TYR 224 Ca -0.19 -3.85 0.17 0.00 -0.16 0.00 0.00 57.90 53.87 3h1y n TYR 224 Cb 0.84 -0.44 0.77 0.00 -0.31 0.00 0.00 39.34 40.20 3h1y n TYR 224 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3h1y h PRO 225 N 3.23 0.00 -0.10 -0.72 0.13 -1.69 -2.91 132.00 129.93 3h1y h PRO 225 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3h1y h PRO 225 Cb 0.82 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 3h1y h PRO 225 CO 0.60 0.00 -0.27 -3.47 -0.23 0.00 0.00 178.00 174.63 3h1y n ASP 226 N -2.87 2.15 -4.46 1.44 2.03 -1.26 -5.02 116.55 108.55 3h1y n ASP 226 Ca -0.00 -3.66 -0.33 0.00 0.52 0.00 0.00 54.79 51.31 3h1y n ASP 226 Cb 0.22 -0.54 -0.13 0.00 -0.72 0.00 0.00 41.12 39.95 3h1y n ASP 226 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3h1y s ASP 227 N -2.92 4.48 0.14 1.67 -1.08 -1.10 -4.97 116.67 112.89 3h1y s ASP 227 Ca 0.39 -0.19 0.15 0.00 -0.52 0.00 0.00 52.55 52.38 3h1y s ASP 227 Cb 0.36 -1.64 0.69 0.00 -1.46 0.00 0.00 42.92 40.87 3h1y s ASP 227 CO -0.02 0.19 1.47 -1.20 0.52 0.00 0.00 175.17 176.12 3h1y n SER 228 N 3.37 0.30 0.00 -0.34 7.64 -1.26 -1.46 113.62 121.87 3h1y n SER 228 Ca -0.18 0.60 0.09 0.00 1.01 0.00 0.00 58.87 60.40 3h1y n SER 228 Cb 0.53 -0.65 0.48 0.00 -1.01 0.00 0.00 64.21 63.55 3h1y n SER 228 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h1y n GLY 229 N -0.61 -0.87 0.27 0.23 0.00 -1.26 -2.84 105.19 100.11 3h1y n GLY 229 Ca 0.01 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3h1y n GLY 229 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h1y h LEU 230 N 0.00 0.00 -0.22 0.99 3.38 -1.57 -1.86 115.31 116.03 3h1y h LEU 230 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h1y h LEU 230 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h1y h LEU 230 CO 0.00 0.10 0.00 -0.26 0.09 0.00 0.00 178.44 178.37 3h1y h PHE 231 N 0.00 0.00 -0.62 1.13 0.04 -1.78 -3.38 116.94 112.33 3h1y h PHE 231 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3h1y h PHE 231 Cb 0.37 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3h1y h PHE 231 CO 0.00 0.00 0.33 0.66 -0.60 0.00 0.00 178.31 178.70 3h1y h SER 232 N 0.00 0.76 0.30 2.17 4.64 -1.55 -1.28 113.55 118.59 3h1y h SER 232 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3h1y h SER 232 Cb 0.69 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3h1y h SER 232 CO 0.00 0.62 0.00 -2.65 -0.87 0.00 0.00 176.83 173.93 3h1y n PRO 233 N -4.38 0.00 0.13 4.77 -0.02 -1.26 -0.02 135.00 134.22 3h1y n PRO 233 Ca 0.06 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 61.96 3h1y n PRO 233 Cb 0.10 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.12 3h1y n PRO 233 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h1y h LEU 234 N 0.00 0.00 0.00 2.45 3.38 -1.53 -3.37 115.31 116.23 3h1y h LEU 234 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 3h1y h LEU 234 Cb 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 3h1y h LEU 234 CO 0.00 0.23 -2.40 0.18 0.09 0.00 0.00 178.44 176.54 3h1y n LEU 235 N -2.96 1.04 -4.72 1.67 4.77 0.03 -4.53 117.00 112.30 3h1y n LEU 235 Ca -0.00 -0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.62 3h1y n LEU 235 Cb 0.64 0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.66 3h1y n LEU 235 CO 0.39 0.65 -0.30 -0.76 -1.33 0.00 0.00 177.39 176.03 3h1y s LEU 236 N -5.83 3.62 0.05 2.23 1.43 0.97 -1.03 118.68 120.12 3h1y s LEU 236 Ca -0.18 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 3h1y s LEU 236 Cb 0.07 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.97 3h1y s LEU 236 CO 0.74 0.22 1.93 0.20 0.23 0.00 0.00 176.35 179.67 3h1y s ASN 237 N -2.04 6.45 -0.16 2.29 0.01 -0.18 -4.62 114.94 116.68 3h1y s ASN 237 Ca 0.24 2.68 -0.23 0.00 -0.71 0.00 0.00 52.86 54.85 3h1y s ASN 237 Cb -0.12 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 3h1y s ASN 237 CO 0.16 -1.04 0.70 -0.69 -1.51 0.00 0.00 177.10 174.72 3h1y s VAL 238 N 4.12 4.99 -0.02 1.60 1.01 -1.26 -1.43 120.40 129.41 3h1y s VAL 238 Ca 0.87 1.36 0.07 0.00 0.00 0.00 0.00 61.98 64.28 3h1y s VAL 238 Cb -0.43 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 3h1y s VAL 238 CO 0.40 0.12 -0.23 0.68 0.00 0.00 0.00 175.10 176.08 3h1y s VAL 239 N 1.73 1.80 -0.43 2.92 -7.23 0.11 -4.99 120.40 114.29 3h1y s VAL 239 Ca 0.33 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 3h1y s VAL 239 Cb -0.16 -1.50 0.12 0.00 0.56 0.00 0.00 36.38 35.40 3h1y s VAL 239 CO 0.12 0.51 0.22 -0.75 -0.31 0.00 0.00 175.10 174.89 3h1y s LYS 240 N -0.45 2.02 0.03 4.82 2.36 -1.26 -0.86 119.74 126.40 3h1y s LYS 240 Ca 0.06 -1.95 -0.30 0.00 -2.55 0.00 0.00 55.97 51.23 3h1y s LYS 240 Cb -0.10 -3.55 -0.06 0.00 -1.05 0.00 0.00 37.83 33.07 3h1y s LYS 240 CO -0.00 -1.07 1.39 -0.51 1.55 0.00 0.00 175.35 176.71 3h1y s LEU 241 N 0.90 4.33 0.53 5.43 1.43 0.51 -4.85 118.68 126.96 3h1y s LEU 241 Ca 0.10 2.16 -0.19 0.00 -1.03 0.00 0.00 54.13 55.17 3h1y s LEU 241 Cb -0.22 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 3h1y s LEU 241 CO -0.04 -0.70 1.05 0.20 0.23 0.00 0.00 176.35 177.09 3h1y s ASN 242 N 1.71 6.07 0.17 2.29 0.01 -1.26 -1.21 114.94 122.72 3h1y s ASN 242 Ca 0.64 1.91 -0.33 0.00 -0.71 0.00 0.00 52.86 54.37 3h1y s ASN 242 Cb -0.33 -2.55 -0.15 0.00 0.41 0.00 0.00 41.25 38.63 3h1y s ASN 242 CO 0.27 -0.97 1.34 -2.65 -1.51 0.00 0.00 177.10 173.59 3h1y n PRO 243 N -1.39 1.57 0.00 -0.60 -0.02 -1.26 -1.42 135.00 131.88 3h1y n PRO 243 Ca 0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3h1y n PRO 243 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3h1y n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1y n GLY 244 N 2.41 1.08 3.87 -1.23 0.00 -0.16 -4.99 105.19 106.16 3h1y n GLY 244 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3h1y n GLY 244 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1y s GLU 245 N -0.69 3.84 0.05 1.61 2.02 -0.51 -4.87 118.70 120.14 3h1y s GLU 245 Ca 0.00 0.39 -0.01 0.00 0.02 0.00 0.00 54.97 55.37 3h1y s GLU 245 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 3h1y s GLU 245 CO 0.00 0.20 -0.03 0.00 0.02 0.00 0.00 175.26 175.45 3h1y s ALA 246 N -1.99 0.45 0.01 5.21 0.00 -1.26 -1.02 121.76 123.16 3h1y s ALA 246 Ca 0.50 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3h1y s ALA 246 Cb -0.11 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3h1y s ALA 246 CO 0.23 -0.31 -0.08 -1.64 0.00 0.00 0.00 175.76 173.96 3h1y s MET 247 N -3.32 0.58 -0.08 0.00 -1.94 -0.20 -1.11 119.30 113.23 3h1y s MET 247 Ca 0.02 -0.43 -0.13 0.00 -1.71 0.00 0.00 55.69 53.44 3h1y s MET 247 Cb 0.03 -0.51 -0.05 0.00 2.01 0.00 0.00 34.83 36.32 3h1y s MET 247 CO -0.08 0.13 0.32 0.12 -0.01 0.00 0.00 175.02 175.50 3h1y s PHE 248 N -0.55 3.62 -0.46 -0.03 5.36 -1.26 -1.21 117.98 123.45 3h1y s PHE 248 Ca -0.01 0.78 -0.09 0.00 -0.96 0.00 0.00 56.93 56.65 3h1y s PHE 248 Cb -0.05 -2.23 0.11 0.00 -0.34 0.00 0.00 43.02 40.51 3h1y s PHE 248 CO 0.00 0.54 0.33 -0.51 -1.46 0.00 0.00 175.22 174.12 3h1y s LEU 249 N -0.59 5.61 0.73 6.12 1.43 0.35 -5.00 118.68 127.33 3h1y s LEU 249 Ca 0.20 -1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 51.34 3h1y s LEU 249 Cb -0.15 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3h1y s LEU 249 CO 0.09 -0.67 1.07 -0.36 0.23 0.00 0.00 176.35 176.71 3h1y s PHE 250 N 1.37 2.97 0.82 0.29 0.08 -1.26 -4.05 117.98 118.19 3h1y s PHE 250 Ca 0.05 1.39 -0.13 0.00 0.12 0.00 0.00 56.93 58.37 3h1y s PHE 250 Cb -0.26 -2.95 0.09 0.00 -0.57 0.00 0.00 43.02 39.33 3h1y s PHE 250 CO -0.00 -1.44 1.20 0.00 -0.10 0.00 0.00 175.22 174.88 3h1y s ALA 251 N -3.04 1.81 -1.76 5.36 0.00 -1.26 -3.68 121.76 119.19 3h1y s ALA 251 Ca 0.59 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3h1y s ALA 251 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3h1y s ALA 251 CO 0.55 -2.33 0.00 0.39 0.00 0.00 0.00 175.76 174.37 3h1y n GLU 252 N -3.39 -1.71 -3.71 0.00 1.02 0.10 -4.88 120.64 108.07 3h1y n GLU 252 Ca 0.13 1.00 -0.25 0.00 -0.02 0.00 0.00 57.16 58.02 3h1y n GLU 252 Cb 0.51 -5.64 -0.17 0.00 -0.02 0.00 0.00 31.44 26.11 3h1y n GLU 252 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3h1y s THR 253 N -3.00 0.28 0.27 2.62 2.01 -1.24 -0.48 115.64 116.10 3h1y s THR 253 Ca 0.00 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 3h1y s THR 253 Cb 0.00 -0.70 -0.11 0.00 0.01 0.00 0.00 72.50 71.70 3h1y s THR 253 CO 0.00 -0.06 1.62 -2.84 -0.69 0.00 0.00 174.62 172.66 3h1y s PRO 254 N 1.99 4.13 0.07 4.92 0.02 -1.26 -4.61 135.00 140.25 3h1y s PRO 254 Ca 0.02 2.58 -0.14 0.00 0.02 0.00 0.00 61.00 63.48 3h1y s PRO 254 Cb -0.15 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.35 3h1y s PRO 254 CO -0.07 -0.66 0.32 -3.38 -0.33 0.00 0.00 177.00 172.88 3h1y s HIS 255 N 0.32 -0.10 -0.16 6.54 -3.43 -0.64 -0.77 115.29 117.05 3h1y s HIS 255 Ca 0.66 -0.11 -0.16 0.00 -0.80 0.00 0.00 55.06 54.65 3h1y s HIS 255 Cb -0.48 0.12 0.04 0.00 -1.43 0.00 0.00 32.58 30.83 3h1y s HIS 255 CO 0.44 -0.56 0.45 0.00 -2.00 0.00 0.00 174.74 173.06 3h1y s ALA 256 N -3.04 -1.12 -0.20 -1.38 0.00 -0.16 -0.69 121.76 115.17 3h1y s ALA 256 Ca -0.02 1.22 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 3h1y s ALA 256 Cb 0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3h1y s ALA 256 CO -0.06 -0.22 0.41 0.71 0.00 0.00 0.00 175.76 176.59 3h1y s TYR 257 N 0.08 3.38 -0.13 0.00 2.02 -1.26 -0.35 117.35 121.08 3h1y s TYR 257 Ca -0.01 0.64 0.07 0.00 -0.37 0.00 0.00 57.07 57.39 3h1y s TYR 257 Cb -0.03 -2.54 -0.13 0.00 -0.40 0.00 0.00 41.96 38.86 3h1y s TYR 257 CO 0.01 -0.01 -0.03 1.28 -1.57 0.00 0.00 175.55 175.23 3h1y n LEU 258 N 4.47 1.24 -3.63 -1.29 4.77 0.55 -1.09 117.00 122.02 3h1y n LEU 258 Ca -0.08 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 3h1y n LEU 258 Cb 0.51 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3h1y n LEU 258 CO 0.40 0.49 0.80 -1.58 -1.33 0.00 0.00 177.39 176.17 3h1y s GLN 259 N -2.30 0.46 0.00 3.23 0.74 -0.99 -3.10 119.66 117.70 3h1y s GLN 259 Ca -0.12 0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.76 3h1y s GLN 259 Cb 0.04 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.38 3h1y s GLN 259 CO 0.44 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.52 3h1y n GLY 260 N 1.93 0.70 3.33 2.59 0.00 -0.91 -0.04 105.19 112.79 3h1y n GLY 260 Ca -0.12 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.34 3h1y n GLY 260 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1y s VAL 261 N -0.77 2.54 0.03 1.61 1.01 -1.26 -1.08 120.40 122.47 3h1y s VAL 261 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 3h1y s VAL 261 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3h1y s VAL 261 CO 0.00 0.56 0.18 0.00 0.00 0.00 0.00 175.10 175.84 3h1y s ALA 262 N -0.04 -0.35 0.23 5.51 0.00 -0.46 -0.79 121.76 125.87 3h1y s ALA 262 Ca -0.05 -0.24 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 3h1y s ALA 262 Cb -0.14 0.23 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 3h1y s ALA 262 CO 0.05 -0.32 0.80 -0.51 0.00 0.00 0.00 175.76 175.77 3h1y s LEU 263 N -1.92 4.42 -0.03 0.00 1.43 0.11 0.55 118.68 123.24 3h1y s LEU 263 Ca -0.07 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 3h1y s LEU 263 Cb -0.02 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3h1y s LEU 263 CO -0.02 0.06 -0.09 -0.70 0.23 0.00 0.00 176.35 175.82 3h1y s GLU 264 N -1.76 1.05 -0.11 1.70 2.12 0.45 -0.18 118.70 121.98 3h1y s GLU 264 Ca 0.43 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.48 3h1y s GLU 264 Cb -0.19 -0.96 -0.01 0.00 0.26 0.00 0.00 34.13 33.23 3h1y s GLU 264 CO 0.23 0.08 -0.19 0.08 -0.54 0.00 0.00 175.26 174.93 3h1y s VAL 265 N 0.33 2.55 0.35 3.70 1.01 -0.02 -0.52 120.40 127.79 3h1y s VAL 265 Ca -0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 3h1y s VAL 265 Cb -0.10 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.29 3h1y s VAL 265 CO 0.01 0.55 0.57 1.15 0.00 0.00 0.00 175.10 177.37 3h1y n MET 266 N 3.40 0.82 -2.10 2.72 3.85 -0.56 -1.42 117.12 123.84 3h1y n MET 266 Ca -0.18 -2.43 -0.28 0.00 -1.00 0.00 0.00 57.70 53.81 3h1y n MET 266 Cb 0.53 2.57 0.06 0.00 -1.05 0.00 0.00 33.22 35.33 3h1y n MET 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3h1y s ALA 267 N -2.44 3.00 0.28 3.17 0.00 -1.26 0.04 121.76 124.55 3h1y s ALA 267 Ca 0.23 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.58 3h1y s ALA 267 Cb -0.02 -2.78 0.39 0.00 0.00 0.00 0.00 23.12 20.71 3h1y s ALA 267 CO 0.16 -1.28 1.64 -0.91 0.00 0.00 0.00 175.76 175.37 3h1y h ASN 268 N -0.65 0.06 -3.11 0.00 4.21 -1.87 -3.40 115.58 110.83 3h1y h ASN 268 Ca -0.45 -0.03 -0.62 0.00 1.21 0.00 0.00 56.30 56.40 3h1y h ASN 268 Cb 1.30 -0.02 -0.36 0.00 -1.12 0.00 0.00 38.32 38.12 3h1y h ASN 268 CO 0.63 0.62 -0.84 -0.44 -1.29 0.00 0.00 177.43 176.11 3h1y s SER 269 N -6.87 2.79 0.37 5.81 0.01 -1.26 -5.04 113.70 109.51 3h1y s SER 269 Ca -0.02 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.75 3h1y s SER 269 Cb 0.13 -1.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 3h1y s SER 269 CO 0.76 -0.04 0.13 1.51 0.41 0.00 0.00 173.24 176.01 3h1y s ASP 270 N 1.43 2.40 -0.08 2.44 -4.77 -1.26 -4.62 116.67 112.20 3h1y s ASP 270 Ca 0.05 -1.61 0.04 0.00 -3.30 0.00 0.00 52.55 47.73 3h1y s ASP 270 Cb -0.13 0.39 -0.01 0.00 -1.09 0.00 0.00 42.92 42.08 3h1y s ASP 270 CO -0.11 -0.88 -0.21 0.20 0.70 0.00 0.00 175.17 174.88 3h1y s ASN 271 N -3.53 3.42 -0.05 2.11 0.02 -1.26 -2.52 114.94 113.14 3h1y s ASN 271 Ca 0.29 -0.44 -0.01 0.00 -1.02 0.00 0.00 52.86 51.68 3h1y s ASN 271 Cb 0.04 -1.17 0.03 0.00 0.02 0.00 0.00 41.25 40.17 3h1y s ASN 271 CO 0.16 0.22 0.01 -0.69 0.02 0.00 0.00 177.10 176.82 3h1y s VAL 272 N 0.02 0.22 -0.06 1.60 1.01 -0.06 -4.41 120.40 118.72 3h1y s VAL 272 Ca -0.07 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3h1y s VAL 272 Cb -0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3h1y s VAL 272 CO 0.05 0.21 -0.06 -0.76 0.00 0.00 0.00 175.10 174.54 3h1y s LEU 273 N 1.74 3.20 0.08 3.92 1.43 -0.18 -4.72 118.68 124.16 3h1y s LEU 273 Ca 0.01 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 3h1y s LEU 273 Cb -0.13 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3h1y s LEU 273 CO -0.04 0.35 0.34 -0.13 0.23 0.00 0.00 176.35 177.11 3h1y s ARG 274 N -0.90 3.64 -0.04 1.70 0.52 -1.26 -0.78 118.95 121.82 3h1y s ARG 274 Ca 0.13 -0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.39 3h1y s ARG 274 Cb -0.11 -2.97 0.12 0.00 0.52 0.00 0.00 34.95 32.51 3h1y s ARG 274 CO 0.02 0.55 1.06 0.00 0.02 0.00 0.00 175.30 176.96 3h1y n ALA 275 N 0.63 2.14 0.00 2.13 0.00 -0.05 -4.88 120.51 120.48 3h1y n ALA 275 Ca -0.07 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.76 3h1y n ALA 275 Cb 0.52 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3h1y n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1y n GLY 276 N -0.42 2.35 3.54 0.00 0.00 -1.26 -4.84 105.19 104.56 3h1y n GLY 276 Ca 0.06 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 3h1y n GLY 276 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h1y n LEU 277 N 0.00 -3.83 -3.57 0.99 4.77 -1.26 -1.33 117.00 112.76 3h1y n LEU 277 Ca 0.00 -0.77 -0.16 0.00 -0.03 0.00 0.00 56.01 55.05 3h1y n LEU 277 Cb 0.00 -2.87 -0.06 0.00 -2.33 0.00 0.00 43.42 38.16 3h1y n LEU 277 CO 0.00 0.35 0.44 0.28 -1.33 0.00 0.00 177.39 177.12 3h1y s THR 278 N -3.51 0.00 -1.93 -5.08 -1.32 -1.26 -3.80 115.64 98.74 3h1y s THR 278 Ca 0.15 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.91 3h1y s THR 278 Cb -0.03 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.44 3h1y s THR 278 CO 0.78 0.00 1.79 -0.81 -2.21 0.00 0.00 174.62 174.18 3h1y n PRO 279 N 1.67 1.01 -2.47 7.08 -0.04 -1.26 -4.92 135.00 136.07 3h1y n PRO 279 Ca -0.17 -0.46 -0.33 0.00 -0.04 0.00 0.00 63.50 62.50 3h1y n PRO 279 Cb 0.56 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3h1y n PRO 279 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3h1y s LYS 280 N -2.31 3.78 0.20 0.54 1.02 -1.26 -5.01 119.74 116.70 3h1y s LYS 280 Ca 0.32 1.25 -0.30 0.00 0.02 0.00 0.00 55.97 57.26 3h1y s LYS 280 Cb 0.20 -2.10 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 3h1y s LYS 280 CO 0.44 -0.43 1.23 -0.47 -0.92 0.00 0.00 175.35 175.20 3h1y s TYR 281 N -2.17 3.37 -0.15 3.18 5.04 -1.26 -5.02 117.35 120.34 3h1y s TYR 281 Ca 0.65 1.38 -0.02 0.00 -2.44 0.00 0.00 57.07 56.64 3h1y s TYR 281 Cb -0.14 -3.48 -0.02 0.00 0.35 0.00 0.00 41.96 38.66 3h1y s TYR 281 CO 0.23 -1.39 -0.08 0.42 -1.34 0.00 0.00 175.55 173.40 3h1y s ILE 282 N -0.10 3.50 -0.80 3.14 1.01 -1.26 -5.03 121.20 121.67 3h1y s ILE 282 Ca 0.53 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 3h1y s ILE 282 Cb -0.34 -2.51 0.04 0.00 0.01 0.00 0.00 42.46 39.66 3h1y s ILE 282 CO 0.38 0.50 1.27 -0.62 0.00 0.00 0.00 174.94 176.47 3h1y s ASP 283 N 0.44 6.25 0.17 3.58 -1.08 -1.26 -4.90 116.67 119.87 3h1y s ASP 283 Ca -0.06 -0.80 -0.10 0.00 -0.52 0.00 0.00 52.55 51.07 3h1y s ASP 283 Cb -0.15 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 3h1y s ASP 283 CO 0.04 -1.69 1.57 0.40 0.52 0.00 0.00 175.17 176.01 3h1y h ILE 284 N 6.19 1.27 -0.65 4.11 2.04 -1.97 -1.57 117.51 126.93 3h1y h ILE 284 Ca -0.16 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.38 3h1y h ILE 284 Cb 1.04 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3h1y h ILE 284 CO 1.29 0.47 0.42 -0.65 0.00 0.00 0.00 178.15 179.68 3h1y h PRO 285 N 0.88 0.81 -0.16 2.37 0.11 -1.99 -0.11 132.00 133.90 3h1y h PRO 285 Ca 0.12 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3h1y h PRO 285 Cb 0.76 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3h1y h PRO 285 CO 0.06 0.53 0.03 1.49 -0.21 0.00 0.00 178.00 179.91 3h1y h GLU 286 N 0.83 0.27 -0.21 1.05 4.81 -1.93 -1.13 114.58 118.27 3h1y h GLU 286 Ca 0.25 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 3h1y h GLU 286 Cb -0.04 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 3h1y h GLU 286 CO -0.08 0.43 -0.32 1.25 -0.73 0.00 0.00 179.01 179.56 3h1y h LEU 287 N 0.06 -1.03 -1.27 1.64 5.85 -1.06 -2.31 115.31 117.18 3h1y h LEU 287 Ca 0.05 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3h1y h LEU 287 Cb 0.29 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3h1y h LEU 287 CO 0.00 -0.35 0.32 0.58 -0.34 0.00 0.00 178.44 178.66 3h1y h VAL 288 N -0.35 1.18 0.00 1.05 2.07 -0.90 0.10 116.25 119.40 3h1y h VAL 288 Ca 0.12 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3h1y h VAL 288 Cb 0.54 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3h1y h VAL 288 CO -0.41 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.39 3h1y h ALA 289 N 1.53 1.00 -0.19 1.67 0.00 -0.72 -2.91 119.26 119.64 3h1y h ALA 289 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h1y h ALA 289 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h1y h ALA 289 CO -0.03 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.31 3h1y n ASN 290 N -2.42 3.05 -4.40 0.00 3.02 0.33 -4.98 115.26 109.85 3h1y n ASN 290 Ca 0.01 -2.64 -0.31 0.00 -0.03 0.00 0.00 54.58 51.61 3h1y n ASN 290 Cb 0.19 -0.37 -0.14 0.00 -0.61 0.00 0.00 39.78 38.85 3h1y n ASN 290 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h1y s VAL 291 N -2.13 2.51 -0.32 2.41 1.01 -1.04 -4.18 120.40 118.66 3h1y s VAL 291 Ca 0.29 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 3h1y s VAL 291 Cb 0.23 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.63 3h1y s VAL 291 CO 0.08 0.42 0.11 -0.75 0.00 0.00 0.00 175.10 174.96 3h1y s LYS 292 N -1.16 2.87 -1.40 2.72 2.20 0.37 -4.98 119.74 120.36 3h1y s LYS 292 Ca 0.13 -1.02 -0.07 0.00 -0.36 0.00 0.00 55.97 54.65 3h1y s LYS 292 Cb -0.10 -3.46 0.07 0.00 -1.51 0.00 0.00 37.83 32.82 3h1y s LYS 292 CO 0.03 -0.57 2.50 1.19 -0.36 0.00 0.00 175.35 178.14 3h1y n PHE 293 N 4.87 2.59 -5.01 4.03 3.72 -1.26 -4.86 117.46 121.53 3h1y n PHE 293 Ca -0.13 -2.89 -0.28 0.00 -0.05 0.00 0.00 57.45 54.10 3h1y n PHE 293 Cb 0.46 -2.02 -0.16 0.00 -0.94 0.00 0.00 39.48 36.83 3h1y n PHE 293 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3h1y s GLU 294 N -0.17 1.84 0.64 -1.08 8.01 -1.26 -4.54 118.70 122.13 3h1y s GLU 294 Ca 0.57 -0.73 -0.16 0.00 0.01 0.00 0.00 54.97 54.66 3h1y s GLU 294 Cb 0.18 -1.69 -0.01 0.00 -4.31 0.00 0.00 34.13 28.30 3h1y s GLU 294 CO -0.08 0.38 1.14 -1.25 0.01 0.00 0.00 175.26 175.46 3h1y s PRO 295 N -0.30 2.81 -0.20 0.39 0.04 -1.26 -4.40 135.00 132.08 3h1y s PRO 295 Ca 0.03 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.61 3h1y s PRO 295 Cb -0.10 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.55 3h1y s PRO 295 CO 0.01 -1.27 -0.07 0.21 0.04 0.00 0.00 177.00 175.92 3h1y s LYS 296 N -3.84 1.67 0.38 4.56 2.47 0.10 -4.94 119.74 120.14 3h1y s LYS 296 Ca 0.70 -0.80 -0.28 0.00 -1.56 0.00 0.00 55.97 54.03 3h1y s LYS 296 Cb -0.23 -2.37 -0.11 0.00 -1.46 0.00 0.00 37.83 33.66 3h1y s LYS 296 CO 0.39 -0.50 1.49 -2.14 0.16 0.00 0.00 175.35 174.75 3h1y s PRO 297 N 1.47 4.10 0.55 4.03 0.02 -1.26 -4.51 135.00 139.41 3h1y s PRO 297 Ca -0.02 2.58 0.24 0.00 0.02 0.00 0.00 61.00 63.82 3h1y s PRO 297 Cb -0.17 -2.97 1.51 0.00 0.02 0.00 0.00 34.50 32.89 3h1y s PRO 297 CO -0.07 -0.55 2.12 0.00 -0.33 0.00 0.00 177.00 178.17 3h1y h ALA 298 N 3.01 1.96 0.00 -1.55 0.00 -1.98 0.98 119.26 121.69 3h1y h ALA 298 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3h1y h ALA 298 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3h1y h ALA 298 CO 0.64 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.08 3h1y n GLY 299 N -1.48 -1.02 0.63 0.00 0.00 -1.26 -2.65 105.19 99.41 3h1y n GLY 299 Ca 0.01 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3h1y n GLY 299 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h1y n GLU 300 N -1.43 1.98 -0.02 1.61 1.02 0.34 -4.70 120.64 119.44 3h1y n GLU 300 Ca 0.06 -1.76 -0.16 0.00 -0.02 0.00 0.00 57.16 55.28 3h1y n GLU 300 Cb 0.18 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.22 3h1y n GLU 300 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3h1y h LEU 301 N 2.34 0.38 -9.79 -4.62 3.38 -1.56 -3.45 115.31 101.98 3h1y h LEU 301 Ca 0.00 -0.73 -0.50 0.00 0.09 0.00 0.00 57.88 56.74 3h1y h LEU 301 Cb 0.66 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3h1y h LEU 301 CO 0.00 1.05 0.45 -0.76 0.09 0.00 0.00 178.44 179.27 3h1y s LEU 302 N -8.52 4.57 0.15 1.67 1.43 -1.26 -4.33 118.68 112.40 3h1y s LEU 302 Ca -0.14 2.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.86 3h1y s LEU 302 Cb 0.03 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 3h1y s LEU 302 CO 0.78 -0.08 1.09 0.42 0.23 0.00 0.00 176.35 178.79 3h1y s THR 303 N -1.14 3.98 -0.35 5.49 -4.23 -0.27 -4.96 115.64 114.15 3h1y s THR 303 Ca 0.44 1.65 -0.20 0.00 -1.18 0.00 0.00 61.69 62.40 3h1y s THR 303 Cb -0.31 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.48 3h1y s THR 303 CO 0.39 0.26 0.63 0.00 -0.54 0.00 0.00 174.62 175.36 3h1y s ALA 304 N -0.04 3.47 0.83 3.99 0.00 -1.26 -4.64 121.76 124.10 3h1y s ALA 304 Ca 0.50 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 3h1y s ALA 304 Cb -0.29 -3.15 0.09 0.00 0.00 0.00 0.00 23.12 19.77 3h1y s ALA 304 CO 0.34 -1.30 1.19 -1.25 0.00 0.00 0.00 175.76 174.74 3h1y s PRO 305 N 2.68 1.80 -0.12 0.00 0.04 -1.26 -4.59 135.00 133.54 3h1y s PRO 305 Ca 0.24 0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.31 3h1y s PRO 305 Cb -0.15 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3h1y s PRO 305 CO 0.14 -1.69 -0.07 0.08 0.04 0.00 0.00 177.00 175.50 3h1y s VAL 306 N -3.61 1.07 -0.19 -0.36 1.01 0.59 -4.96 120.40 113.95 3h1y s VAL 306 Ca 0.63 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 3h1y s VAL 306 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3h1y s VAL 306 CO 0.49 0.33 0.40 -0.75 0.00 0.00 0.00 175.10 175.57 3h1y s LYS 307 N 1.68 4.19 -0.23 2.72 2.47 -1.26 -0.69 119.74 128.62 3h1y s LYS 307 Ca 0.04 0.22 -0.03 0.00 -1.56 0.00 0.00 55.97 54.64 3h1y s LYS 307 Cb -0.13 -3.53 0.07 0.00 -1.46 0.00 0.00 37.83 32.79 3h1y s LYS 307 CO -0.08 -0.02 0.08 0.45 0.16 0.00 0.00 175.35 175.94 3h1y s SER 308 N 0.99 3.10 1.91 1.43 0.15 0.97 -5.00 113.70 117.24 3h1y s SER 308 Ca 0.19 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.84 3h1y s SER 308 Cb -0.15 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 3h1y s SER 308 CO 0.08 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.77 3h1y n GLY 309 N 5.11 3.36 0.15 9.45 0.00 -1.26 -1.76 105.19 120.25 3h1y n GLY 309 Ca -0.07 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 45.96 3h1y n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1y n ALA 310 N 11.86 2.71 -2.78 4.61 0.00 -1.26 -4.87 120.51 130.78 3h1y n ALA 310 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 53.44 52.80 3h1y n ALA 310 Cb 0.00 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.03 3h1y n ALA 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h1y s GLU 311 N -2.28 3.91 -0.33 0.00 2.12 -0.72 -1.58 118.70 119.81 3h1y s GLU 311 Ca 0.35 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.56 3h1y s GLU 311 Cb 0.21 -3.33 0.09 0.00 0.26 0.00 0.00 34.13 31.36 3h1y s GLU 311 CO 0.43 0.49 0.03 -1.17 -0.54 0.00 0.00 175.26 174.50 3h1y s LEU 312 N -0.20 4.53 0.25 2.70 2.96 0.65 -0.02 118.68 129.55 3h1y s LEU 312 Ca 0.12 -1.96 -0.15 0.00 -0.22 0.00 0.00 54.13 51.92 3h1y s LEU 312 Cb -0.12 -1.64 -0.08 0.00 0.50 0.00 0.00 46.19 44.85 3h1y s LEU 312 CO 0.01 -0.36 0.66 -0.62 -1.32 0.00 0.00 176.35 174.73 3h1y s ASP 313 N 1.05 6.82 -0.62 3.68 2.15 0.13 -0.42 116.67 129.46 3h1y s ASP 313 Ca 0.06 1.20 -0.00 0.00 0.43 0.00 0.00 52.55 54.24 3h1y s ASP 313 Cb -0.20 -2.34 0.16 0.00 -0.30 0.00 0.00 42.92 40.24 3h1y s ASP 313 CO -0.07 -0.07 0.42 -0.36 -0.17 0.00 0.00 175.17 174.92 3h1y s PHE 314 N -1.76 3.38 0.19 -5.34 0.08 -0.06 -0.30 117.98 114.18 3h1y s PHE 314 Ca 0.47 -2.91 -0.33 0.00 0.12 0.00 0.00 56.93 54.29 3h1y s PHE 314 Cb -0.13 -3.07 -0.13 0.00 -0.57 0.00 0.00 43.02 39.12 3h1y s PHE 314 CO 0.19 -0.79 1.55 -2.30 -0.10 0.00 0.00 175.22 173.78 3h1y n PRO 315 N 3.19 2.23 -4.62 0.24 -0.02 -1.26 -4.40 135.00 130.35 3h1y n PRO 315 Ca 0.09 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 62.07 3h1y n PRO 315 Cb 0.36 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 31.12 3h1y n PRO 315 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h1y s ILE 316 N 0.63 1.71 0.00 4.25 1.01 -1.26 -4.98 121.20 122.56 3h1y s ILE 316 Ca 0.75 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.62 3h1y s ILE 316 Cb -0.64 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.30 3h1y s ILE 316 CO 0.41 0.48 0.82 -0.81 0.00 0.00 0.00 174.94 175.84 3h1y n PRO 317 N 4.06 0.50 -3.84 2.79 -0.04 -1.26 -4.72 135.00 132.48 3h1y n PRO 317 Ca -0.20 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 3h1y n PRO 317 Cb 0.52 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 3h1y n PRO 317 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h1y s VAL 318 N 0.82 0.07 -0.43 0.52 1.01 -1.26 -5.04 120.40 116.08 3h1y s VAL 318 Ca 0.00 -0.55 0.23 0.00 0.00 0.00 0.00 61.98 61.66 3h1y s VAL 318 Cb 0.00 -0.44 0.32 0.00 0.00 0.00 0.00 36.38 36.26 3h1y s VAL 318 CO 0.00 -0.30 1.58 0.44 0.00 0.00 0.00 175.10 176.82 3h1y h ASP 319 N 4.43 0.00 -0.43 3.32 5.19 -2.03 -3.38 116.42 123.53 3h1y h ASP 319 Ca -0.30 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.04 3h1y h ASP 319 Cb 1.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 3h1y h ASP 319 CO 0.40 0.00 0.01 0.44 -3.12 0.00 0.00 179.24 176.97 3h1y h ASP 320 N 0.00 0.80 -5.04 6.45 5.19 -1.95 -3.44 116.42 118.43 3h1y h ASP 320 Ca 0.00 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 3h1y h ASP 320 Cb 1.00 -0.21 -0.12 0.00 0.18 0.00 0.00 39.33 40.18 3h1y h ASP 320 CO 0.00 0.86 0.09 0.72 -3.12 0.00 0.00 179.24 177.80 3h1y s PHE 321 N -5.00 -0.34 0.12 4.55 -0.71 -1.26 -4.56 117.98 110.78 3h1y s PHE 321 Ca -0.10 0.06 0.04 0.00 -1.04 0.00 0.00 56.93 55.89 3h1y s PHE 321 Cb 0.15 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.36 3h1y s PHE 321 CO 0.82 -0.84 -0.11 0.00 -1.34 0.00 0.00 175.22 173.75 3h1y s ALA 322 N -3.80 1.31 -0.05 1.99 0.00 0.12 -4.82 121.76 116.51 3h1y s ALA 322 Ca 0.04 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 3h1y s ALA 322 Cb -0.00 0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.16 3h1y s ALA 322 CO -0.10 -0.03 0.09 0.12 0.00 0.00 0.00 175.76 175.85 3h1y s PHE 323 N -2.66 -0.05 0.04 0.00 5.36 -1.26 -1.84 117.98 117.58 3h1y s PHE 323 Ca 0.10 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 3h1y s PHE 323 Cb -0.02 -0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.34 3h1y s PHE 323 CO 0.01 -0.18 -0.04 -1.54 -1.46 0.00 0.00 175.22 172.00 3h1y s SER 324 N 1.77 0.51 -0.05 6.13 1.04 -0.63 -0.88 113.70 121.60 3h1y s SER 324 Ca -0.01 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.68 3h1y s SER 324 Cb -0.12 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 3h1y s SER 324 CO -0.04 -0.41 -0.04 -0.76 0.98 0.00 0.00 173.24 172.96 3h1y s LEU 325 N -2.17 3.30 -0.16 2.42 2.01 0.44 -0.45 118.68 124.07 3h1y s LEU 325 Ca -0.04 -0.00 0.00 0.00 0.01 0.00 0.00 54.13 54.10 3h1y s LEU 325 Cb -0.02 -1.78 0.03 0.00 0.01 0.00 0.00 46.19 44.43 3h1y s LEU 325 CO -0.04 0.34 -0.12 -1.00 1.01 0.00 0.00 176.35 176.53 3h1y s HIS 326 N -0.89 2.17 -0.11 0.29 3.76 0.88 -0.25 115.29 121.14 3h1y s HIS 326 Ca 0.14 -1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 53.47 3h1y s HIS 326 Cb -0.11 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 3h1y s HIS 326 CO 0.04 -0.68 1.19 -0.51 -0.85 0.00 0.00 174.74 173.93 3h1y s ASP 327 N 1.48 7.03 0.19 1.40 1.01 -0.62 -0.77 116.67 126.39 3h1y s ASP 327 Ca 0.03 1.71 -0.17 0.00 0.71 0.00 0.00 52.55 54.83 3h1y s ASP 327 Cb -0.14 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 3h1y s ASP 327 CO -0.10 -0.64 0.64 -0.76 0.21 0.00 0.00 175.17 174.52 3h1y s LEU 328 N 2.73 4.34 0.26 1.23 1.43 -0.54 -4.90 118.68 123.23 3h1y s LEU 328 Ca 0.54 1.25 0.03 0.00 -1.03 0.00 0.00 54.13 54.92 3h1y s LEU 328 Cb -0.22 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 3h1y s LEU 328 CO 0.18 0.06 0.03 0.00 0.23 0.00 0.00 176.35 176.85 3h1y s ALA 329 N -1.50 1.95 0.13 4.21 0.00 -1.20 -4.25 121.76 121.10 3h1y s ALA 329 Ca 0.40 -1.87 0.29 0.00 0.00 0.00 0.00 51.96 50.79 3h1y s ALA 329 Cb -0.16 0.65 1.19 0.00 0.00 0.00 0.00 23.12 24.80 3h1y s ALA 329 CO 0.20 -0.31 1.93 -0.07 0.00 0.00 0.00 175.76 177.51 3h1y h LEU 330 N 2.35 0.00 -9.44 0.00 3.38 -1.92 0.50 115.31 110.18 3h1y h LEU 330 Ca -0.39 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.02 3h1y h LEU 330 Cb 1.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 3h1y h LEU 330 CO 0.65 0.10 0.05 -1.58 0.09 0.00 0.00 178.44 177.74 3h1y s GLN 331 N -3.69 4.40 0.42 1.13 2.00 -1.26 -4.66 119.66 118.00 3h1y s GLN 331 Ca 0.01 0.83 -0.26 0.00 -2.00 0.00 0.00 55.36 53.93 3h1y s GLN 331 Cb 0.10 -3.40 -0.09 0.00 0.80 0.00 0.00 33.01 30.42 3h1y s GLN 331 CO 0.58 0.21 1.41 -1.21 -0.50 0.00 0.00 175.29 175.79 3h1y s GLU 332 N 0.31 3.86 0.13 1.67 2.02 -1.26 -4.76 118.70 120.67 3h1y s GLU 332 Ca 0.35 2.40 0.10 0.00 0.02 0.00 0.00 54.97 57.83 3h1y s GLU 332 Cb -0.18 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 3h1y s GLU 332 CO 0.18 -0.67 -0.24 0.95 0.02 0.00 0.00 175.26 175.50 3h1y s THR 333 N -1.19 2.08 -0.12 3.63 -4.23 -0.39 -4.92 115.64 110.49 3h1y s THR 333 Ca 0.58 -1.75 -0.23 0.00 -1.18 0.00 0.00 61.69 59.10 3h1y s THR 333 Cb -0.43 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 3h1y s THR 333 CO 0.56 -0.02 0.73 -0.55 -0.54 0.00 0.00 174.62 174.80 3h1y s SER 334 N -2.16 6.92 -0.34 3.99 0.15 -1.26 -0.34 113.70 120.66 3h1y s SER 334 Ca 0.13 1.11 -0.02 0.00 0.70 0.00 0.00 55.95 57.87 3h1y s SER 334 Cb -0.09 -2.41 0.07 0.00 -1.71 0.00 0.00 66.02 61.88 3h1y s SER 334 CO 0.06 -0.23 0.08 -0.63 1.20 0.00 0.00 173.24 173.72 3h1y s ILE 335 N 1.43 3.06 0.13 6.45 1.01 0.38 -4.96 121.20 128.70 3h1y s ILE 335 Ca 0.36 -1.68 0.07 0.00 0.00 0.00 0.00 60.65 59.40 3h1y s ILE 335 Cb -0.17 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3h1y s ILE 335 CO 0.15 -0.35 -0.18 -0.83 0.00 0.00 0.00 174.94 173.73 3h1y s GLY 336 N 1.43 1.23 0.16 6.18 0.00 -1.26 -2.18 107.32 112.88 3h1y s GLY 336 Ca 0.01 -1.33 -0.22 0.00 0.00 0.00 0.00 44.72 43.18 3h1y s GLY 336 CO -0.03 -1.37 0.58 -0.86 0.00 0.00 0.00 173.10 171.42 3h1y s GLN 337 N -2.44 1.29 -0.11 2.90 0.00 -1.26 -5.04 119.66 114.99 3h1y s GLN 337 Ca 0.10 -0.56 0.10 0.00 -0.00 0.00 0.00 55.36 55.00 3h1y s GLN 337 Cb -0.07 0.57 0.50 0.00 0.00 0.00 0.00 33.01 34.01 3h1y s GLN 337 CO 0.05 -0.56 1.31 0.72 0.00 0.00 0.00 175.29 176.81 3h1y n HIS 338 N -0.36 1.16 -4.29 9.60 8.25 -1.26 -4.77 115.22 123.54 3h1y n HIS 338 Ca -0.16 -0.42 -0.19 0.00 -0.26 0.00 0.00 57.72 56.69 3h1y n HIS 338 Cb 0.64 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 31.40 3h1y n HIS 338 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3h1y n SER 339 N 0.52 -0.53 -4.74 0.41 3.41 -1.26 -4.62 113.62 106.81 3h1y n SER 339 Ca 0.17 -3.11 -0.35 0.00 -0.26 0.00 0.00 58.87 55.32 3h1y n SER 339 Cb 0.74 1.56 0.07 0.00 -0.26 0.00 0.00 64.21 66.32 3h1y n SER 339 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1y s ALA 340 N -3.28 2.34 0.03 7.33 0.00 -1.13 -3.81 121.76 123.23 3h1y s ALA 340 Ca 0.37 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3h1y s ALA 340 Cb 0.02 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3h1y s ALA 340 CO 0.26 -1.54 -0.04 0.00 0.00 0.00 0.00 175.76 174.44 3h1y s ALA 341 N -1.73 0.27 -0.16 0.00 0.00 -0.43 -4.11 121.76 115.60 3h1y s ALA 341 Ca 0.77 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 3h1y s ALA 341 Cb -0.31 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 3h1y s ALA 341 CO 0.40 -0.16 -0.13 0.42 0.00 0.00 0.00 175.76 176.28 3h1y s ILE 342 N -1.79 2.84 -0.16 0.00 1.01 -0.43 -0.86 121.20 121.81 3h1y s ILE 342 Ca -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 3h1y s ILE 342 Cb -0.07 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3h1y s ILE 342 CO -0.02 0.51 -0.02 -0.76 0.00 0.00 0.00 174.94 174.65 3h1y s LEU 343 N 0.79 3.34 -0.08 2.97 1.43 -0.24 -1.67 118.68 125.22 3h1y s LEU 343 Ca -0.05 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3h1y s LEU 343 Cb -0.15 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.26 3h1y s LEU 343 CO 0.01 0.17 -0.15 0.12 0.23 0.00 0.00 176.35 176.73 3h1y s PHE 344 N 0.38 1.74 -0.35 0.29 5.36 0.78 -0.79 117.98 125.39 3h1y s PHE 344 Ca -0.03 -0.70 -0.29 0.00 -0.96 0.00 0.00 56.93 54.96 3h1y s PHE 344 Cb -0.14 -1.25 0.02 0.00 -0.34 0.00 0.00 43.02 41.31 3h1y s PHE 344 CO 0.02 -0.34 1.13 0.00 -1.46 0.00 0.00 175.22 174.58 3h1y h VAL 346 N 5.88 1.49 -2.64 0.00 2.07 -1.49 -0.07 116.25 121.48 3h1y h VAL 346 Ca -0.22 -2.39 0.07 0.00 0.82 0.00 0.00 66.70 64.98 3h1y h VAL 346 Cb 1.07 3.01 -0.12 0.00 -1.52 0.00 0.00 31.29 33.73 3h1y h VAL 346 CO 1.05 0.68 0.36 -1.83 0.02 0.00 0.00 177.57 177.85 3h1y s GLU 347 N -2.68 1.17 4.71 1.57 -1.05 -1.22 -4.65 118.70 116.54 3h1y s GLU 347 Ca -0.13 -0.51 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 3h1y s GLU 347 Cb 0.02 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 3h1y s GLU 347 CO 0.83 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.93 3h1y n GLY 348 N -0.36 0.41 3.63 -3.83 0.00 -1.26 -1.87 105.19 101.92 3h1y n GLY 348 Ca -0.11 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 3h1y n GLY 348 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h1y s GLU 349 N 0.00 0.77 -0.12 1.61 2.12 -0.52 -4.18 118.70 118.38 3h1y s GLU 349 Ca 0.00 1.07 -0.01 0.00 0.36 0.00 0.00 54.97 56.39 3h1y s GLU 349 Cb 0.00 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 3h1y s GLU 349 CO 0.00 -0.12 -0.09 0.00 -0.54 0.00 0.00 175.26 174.51 3h1y s ALA 350 N 0.88 2.81 -0.26 6.30 0.00 -0.24 -2.25 121.76 129.00 3h1y s ALA 350 Ca -0.04 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 3h1y s ALA 350 Cb -0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 3h1y s ALA 350 CO -0.08 0.32 0.09 0.08 0.00 0.00 0.00 175.76 176.17 3h1y s VAL 351 N 0.07 4.40 -0.16 0.00 1.01 -0.24 -0.28 120.40 125.20 3h1y s VAL 351 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3h1y s VAL 351 Cb -0.14 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 3h1y s VAL 351 CO 0.04 0.29 0.20 -0.76 0.00 0.00 0.00 175.10 174.87 3h1y s LEU 352 N 1.62 4.27 -0.08 3.92 1.43 0.11 -1.77 118.68 128.19 3h1y s LEU 352 Ca 0.06 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3h1y s LEU 352 Cb -0.15 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3h1y s LEU 352 CO 0.04 0.21 -0.18 -0.60 0.23 0.00 0.00 176.35 176.05 3h1y s ARG 353 N 0.03 2.29 -0.27 1.70 3.52 0.69 -0.04 118.95 126.87 3h1y s ARG 353 Ca 0.13 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 3h1y s ARG 353 Cb -0.12 -1.82 0.08 0.00 -1.56 0.00 0.00 34.95 31.53 3h1y s ARG 353 CO 0.02 0.13 0.03 0.21 -0.81 0.00 0.00 175.30 174.88 3h1y s LYS 354 N 0.42 1.10 3.03 5.12 2.47 -0.18 -0.98 119.74 130.71 3h1y s LYS 354 Ca -0.15 -1.04 0.00 0.00 -1.56 0.00 0.00 55.97 53.22 3h1y s LYS 354 Cb -0.16 -2.37 0.00 0.00 -1.46 0.00 0.00 37.83 33.84 3h1y s LYS 354 CO 0.06 -0.80 0.00 -0.25 0.16 0.00 0.00 175.35 174.52 3h1y n ASP 355 N 4.74 0.00 0.03 1.43 8.00 -1.26 -0.79 116.55 128.71 3h1y n ASP 355 Ca -0.06 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.43 3h1y n ASP 355 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.45 3h1y n ASP 355 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3h1y h GLU 356 N 0.00 0.00 -6.55 -1.24 4.39 -2.02 -3.46 114.58 105.69 3h1y h GLU 356 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 3h1y h GLU 356 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3h1y h GLU 356 CO 0.00 0.33 0.43 -1.14 -1.16 0.00 0.00 179.01 177.48 3h1y s GLN 357 N -2.89 4.59 0.04 2.33 0.74 0.03 -5.06 119.66 119.45 3h1y s GLN 357 Ca -0.03 1.59 0.08 0.00 0.05 0.00 0.00 55.36 57.05 3h1y s GLN 357 Cb 0.09 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 3h1y s GLN 357 CO 0.81 0.04 -0.23 1.03 -0.55 0.00 0.00 175.29 176.39 3h1y s ARG 358 N 0.25 1.93 -0.04 1.67 0.52 -1.26 -1.01 118.95 121.00 3h1y s ARG 358 Ca 0.51 -1.05 -0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3h1y s ARG 358 Cb -0.26 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 33.17 3h1y s ARG 358 CO 0.31 0.53 0.05 -1.17 0.02 0.00 0.00 175.30 175.04 3h1y s LEU 359 N -1.32 0.27 -0.10 2.53 2.96 0.94 -4.97 118.68 118.99 3h1y s LEU 359 Ca 0.13 0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 53.92 3h1y s LEU 359 Cb -0.10 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.36 3h1y s LEU 359 CO 0.03 -0.23 0.44 -0.69 -1.32 0.00 0.00 176.35 174.58 3h1y s VAL 360 N 2.06 5.17 -0.20 1.68 1.01 -1.26 0.06 120.40 128.92 3h1y s VAL 360 Ca 0.04 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.90 3h1y s VAL 360 Cb -0.12 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3h1y s VAL 360 CO -0.03 0.38 -0.16 -0.76 0.00 0.00 0.00 175.10 174.53 3h1y s LEU 361 N 0.28 2.52 0.62 3.92 1.43 0.61 -5.00 118.68 123.06 3h1y s LEU 361 Ca 0.24 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 3h1y s LEU 361 Cb -0.15 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3h1y s LEU 361 CO 0.10 -0.05 0.93 -0.54 0.23 0.00 0.00 176.35 177.02 3h1y s LYS 362 N 1.28 2.72 0.26 1.70 1.02 -1.26 -1.08 119.74 124.37 3h1y s LYS 362 Ca 0.02 -0.09 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 3h1y s LYS 362 Cb -0.15 -2.25 -0.13 0.00 -0.52 0.00 0.00 37.83 34.78 3h1y s LYS 362 CO -0.10 -0.85 1.35 -2.30 -0.92 0.00 0.00 175.35 172.53 3h1y n PRO 363 N -2.67 1.98 0.00 -1.68 -0.02 -1.26 -1.33 135.00 130.03 3h1y n PRO 363 Ca 0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3h1y n PRO 363 Cb 0.58 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3h1y n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1y n GLY 364 N 1.78 2.64 3.89 -1.23 0.00 -0.04 -4.65 105.19 107.58 3h1y n GLY 364 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3h1y n GLY 364 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1y s GLU 365 N -0.69 3.70 0.13 1.61 2.02 -0.44 -4.86 118.70 120.17 3h1y s GLU 365 Ca 0.00 0.19 -0.06 0.00 0.02 0.00 0.00 54.97 55.11 3h1y s GLU 365 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 3h1y s GLU 365 CO 0.00 0.15 0.18 -1.54 0.02 0.00 0.00 175.26 174.07 3h1y s SER 366 N -3.07 0.16 0.02 -0.19 1.04 -1.26 -1.05 113.70 109.36 3h1y s SER 366 Ca 0.47 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.97 3h1y s SER 366 Cb -0.11 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3h1y s SER 366 CO 0.29 -0.80 -0.04 0.00 0.98 0.00 0.00 173.24 173.67 3h1y s ALA 367 N -3.97 0.29 -0.16 5.32 0.00 0.03 -1.28 121.76 121.99 3h1y s ALA 367 Ca 0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 3h1y s ALA 367 Cb 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 3h1y s ALA 367 CO -0.02 -0.05 0.21 0.12 0.00 0.00 0.00 175.76 176.01 3h1y s PHE 368 N -1.03 3.48 -0.23 0.00 5.36 0.10 -1.08 117.98 124.58 3h1y s PHE 368 Ca -0.09 0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.39 3h1y s PHE 368 Cb -0.07 -2.19 0.04 0.00 -0.34 0.00 0.00 43.02 40.45 3h1y s PHE 368 CO -0.00 0.38 -0.12 0.42 -1.46 0.00 0.00 175.22 174.44 3h1y s ILE 369 N 0.05 2.38 0.62 3.12 -1.09 -0.04 -1.73 121.20 124.51 3h1y s ILE 369 Ca 0.13 -1.24 -0.17 0.00 -2.23 0.00 0.00 60.65 57.14 3h1y s ILE 369 Cb -0.12 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 3h1y s ILE 369 CO 0.02 0.20 1.17 -0.83 -1.23 0.00 0.00 174.94 174.28 3h1y s GLY 370 N 1.23 2.53 0.43 6.18 0.00 -1.26 -1.32 107.32 115.10 3h1y s GLY 370 Ca -0.02 0.86 0.17 0.00 0.00 0.00 0.00 44.72 45.72 3h1y s GLY 370 CO -0.07 1.24 1.90 0.00 0.00 0.00 0.00 173.10 176.16 3h1y h ALA 371 N 0.55 2.16 -0.00 3.20 0.00 -0.83 -0.66 119.26 123.67 3h1y h ALA 371 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3h1y h ALA 371 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3h1y h ALA 371 CO 0.54 -0.39 -0.03 -0.40 0.00 0.00 0.00 179.25 178.97 3h1y n ASP 372 N -4.49 0.10 -0.91 0.00 5.75 -0.87 -3.11 116.55 113.03 3h1y n ASP 372 Ca 0.16 -0.16 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 3h1y n ASP 372 Cb 0.60 -0.25 0.09 0.00 -1.03 0.00 0.00 41.12 40.52 3h1y n ASP 372 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h1y n GLU 373 N -1.25 2.18 -2.35 0.11 -0.58 -0.26 -4.94 120.64 113.55 3h1y n GLU 373 Ca 0.13 -1.83 -0.41 0.00 -0.42 0.00 0.00 57.16 54.64 3h1y n GLU 373 Cb 0.26 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 3h1y n GLU 373 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3h1y s SER 374 N -1.98 7.08 0.52 1.62 0.15 -1.18 -4.33 113.70 115.58 3h1y s SER 374 Ca 0.27 2.39 0.04 0.00 0.70 0.00 0.00 55.95 59.35 3h1y s SER 374 Cb 0.19 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 3h1y s SER 374 CO 0.31 -0.30 0.72 -2.16 1.20 0.00 0.00 173.24 173.00 3h1y s PRO 375 N -1.30 2.59 0.17 5.44 0.04 -1.26 -4.97 135.00 135.70 3h1y s PRO 375 Ca 0.48 -0.99 0.11 0.00 0.04 0.00 0.00 61.00 60.64 3h1y s PRO 375 Cb -0.34 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 3h1y s PRO 375 CO 0.44 -0.61 -0.25 0.14 0.04 0.00 0.00 177.00 176.76 3h1y s VAL 376 N -2.64 2.33 -0.17 -0.36 -7.23 -0.93 -4.90 120.40 106.50 3h1y s VAL 376 Ca 0.57 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 3h1y s VAL 376 Cb -0.10 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 3h1y s VAL 376 CO 0.37 -0.03 0.19 0.20 -0.31 0.00 0.00 175.10 175.52 3h1y s ASN 377 N -2.43 6.33 -0.03 4.85 -0.87 -0.15 -0.47 114.94 122.17 3h1y s ASN 377 Ca 0.18 0.37 0.07 0.00 -1.57 0.00 0.00 52.86 51.91 3h1y s ASN 377 Cb -0.09 -2.12 -0.02 0.00 -0.02 0.00 0.00 41.25 39.00 3h1y s ASN 377 CO 0.08 0.19 -0.22 0.00 -2.57 0.00 0.00 177.10 174.59 3h1y s ALA 378 N 0.15 2.34 0.27 0.60 0.00 0.54 -0.22 121.76 125.44 3h1y s ALA 378 Ca 0.12 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3h1y s ALA 378 Cb -0.12 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 3h1y s ALA 378 CO 0.01 0.54 0.26 -1.54 0.00 0.00 0.00 175.76 175.03 3h1y s SER 379 N -0.68 0.82 0.00 0.00 1.04 -0.73 -1.26 113.70 112.89 3h1y s SER 379 Ca 0.11 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.03 3h1y s SER 379 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3h1y s SER 379 CO -0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3h1y n GLY 380 N -0.45 0.37 3.12 7.32 0.00 0.17 -1.08 105.19 114.64 3h1y n GLY 380 Ca 0.04 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 3h1y n GLY 380 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1y s THR 381 N -2.28 0.50 0.00 2.61 -4.23 -0.95 -3.14 115.64 108.15 3h1y s THR 381 Ca 0.00 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3h1y s THR 381 Cb 0.00 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.40 3h1y s THR 381 CO 0.00 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 3h1y n GLY 382 N 0.26 0.59 3.04 3.99 0.00 -1.26 -1.44 105.19 110.37 3h1y n GLY 382 Ca -0.15 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 3h1y n GLY 382 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1y s ARG 383 N 0.00 0.27 -0.14 1.61 0.52 -0.78 -1.47 118.95 118.95 3h1y s ARG 383 Ca 0.00 -0.04 -0.01 0.00 -0.52 0.00 0.00 55.73 55.17 3h1y s ARG 383 Cb 0.00 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 3h1y s ARG 383 CO 0.00 -0.05 -0.12 -1.17 0.02 0.00 0.00 175.30 173.98 3h1y s LEU 384 N -0.46 2.75 -0.04 2.53 2.96 0.05 -1.18 118.68 125.28 3h1y s LEU 384 Ca -0.05 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 3h1y s LEU 384 Cb -0.04 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 3h1y s LEU 384 CO 0.01 0.14 0.34 0.00 -1.32 0.00 0.00 176.35 175.51 3h1y s ALA 385 N 0.48 3.74 -0.08 5.97 0.00 0.18 -0.08 121.76 131.97 3h1y s ALA 385 Ca -0.09 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.57 3h1y s ALA 385 Cb -0.16 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.69 3h1y s ALA 385 CO 0.04 0.49 -0.16 0.50 0.00 0.00 0.00 175.76 176.64 3h1y s ARG 386 N -0.97 2.10 -0.10 0.00 3.52 0.40 -0.16 118.95 123.75 3h1y s ARG 386 Ca 0.21 -0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 3h1y s ARG 386 Cb -0.15 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 3h1y s ARG 386 CO 0.10 0.08 -0.07 0.08 -0.81 0.00 0.00 175.30 174.69 3h1y s VAL 387 N 0.56 3.70 0.00 7.11 1.01 -0.67 -1.60 120.40 130.50 3h1y s VAL 387 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3h1y s VAL 387 Cb -0.16 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3h1y s VAL 387 CO 0.05 0.56 0.00 0.00 0.00 0.00 0.00 175.10 175.72 3h1y n TYR 388 N 2.70 -0.43 -4.27 5.22 4.11 -0.76 -1.31 117.16 122.41 3h1y n TYR 388 Ca -0.18 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.46 3h1y n TYR 388 Cb 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.70 3h1y n TYR 388 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 3h1y s ASN 389 N 0.42 2.01 0.36 9.48 3.84 -1.26 0.16 114.94 129.94 3h1y s ASN 389 Ca 0.00 -0.31 0.19 0.00 0.21 0.00 0.00 52.86 52.95 3h1y s ASN 389 Cb 0.00 -0.86 0.50 0.00 -0.55 0.00 0.00 41.25 40.34 3h1y s ASN 389 CO 0.00 -0.03 1.64 0.11 -2.79 0.00 0.00 177.10 176.03 3h1y h LYS 390 N 7.53 0.00 0.00 0.43 1.57 -1.90 -3.39 116.57 120.81 3h1y h LYS 390 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3h1y h LYS 390 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3h1y h LYS 390 CO 0.45 0.37 0.00 1.28 -0.57 0.00 0.00 179.45 180.98