#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0h n THR 20 N 0.00 0.00 0.01 0.44 -2.24 -1.26 -4.89 114.28 106.34 3d0h n THR 20 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3d0h n THR 20 Cb 0.00 -1.41 -0.14 0.00 -2.10 0.00 0.00 70.33 66.68 3d0h n THR 20 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3d0h h THR 21 N -0.77 0.83 -0.58 4.28 2.02 -2.00 -3.20 112.91 113.49 3d0h h THR 21 Ca 0.00 -2.37 -0.00 0.00 0.77 0.00 0.00 66.41 64.80 3d0h h THR 21 Cb 0.00 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 3d0h h THR 21 CO 0.00 0.77 0.36 -0.08 0.37 0.00 0.00 175.52 176.94 3d0h h GLU 22 N -0.15 0.79 -0.79 6.66 4.81 -1.94 -2.41 114.58 121.55 3d0h h GLU 22 Ca -0.37 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3d0h h GLU 22 Cb 1.89 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 31.06 3d0h h GLU 22 CO 0.07 0.56 0.51 1.49 -0.73 0.00 0.00 179.01 180.91 3d0h h GLU 23 N 0.79 0.99 -0.79 1.92 4.57 -1.95 -1.71 114.58 118.40 3d0h h GLU 23 Ca 0.21 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3d0h h GLU 23 Cb -0.03 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.30 3d0h h GLU 23 CO -0.04 0.65 0.42 -0.07 -1.18 0.00 0.00 179.01 178.79 3d0h h LEU 24 N 1.02 0.99 -0.07 1.64 3.38 -1.48 -3.06 115.31 117.73 3d0h h LEU 24 Ca 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3d0h h LEU 24 Cb -0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3d0h h LEU 24 CO -0.09 0.81 0.04 0.00 0.09 0.00 0.00 178.44 179.29 3d0h h ALA 25 N 1.35 0.09 -0.83 1.53 0.00 -0.85 -2.91 119.26 117.64 3d0h h ALA 25 Ca 0.28 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.25 3d0h h ALA 25 Cb 0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 3d0h h ALA 25 CO -0.04 -0.35 -0.38 0.87 0.00 0.00 0.00 179.25 179.35 3d0h h LYS 26 N -0.00 -0.07 -0.12 0.00 1.79 -1.26 0.23 116.57 117.14 3d0h h LYS 26 Ca 0.03 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.44 3d0h h LYS 26 Cb 0.11 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3d0h h LYS 26 CO -0.00 -0.05 -0.20 1.15 -1.08 0.00 0.00 179.45 179.27 3d0h h THR 27 N -0.07 1.21 0.01 -0.16 2.02 -1.57 -1.87 112.91 112.48 3d0h h THR 27 Ca 0.29 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 3d0h h THR 27 Cb 0.57 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3d0h h THR 27 CO -0.86 0.29 -0.01 0.15 0.37 0.00 0.00 175.52 175.46 3d0h h PHE 28 N 0.19 -0.01 -0.71 3.16 -0.00 -0.79 -1.96 116.94 116.81 3d0h h PHE 28 Ca 0.03 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.95 3d0h h PHE 28 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.40 3d0h h PHE 28 CO 0.01 0.28 0.23 -0.07 -0.00 0.00 0.00 178.31 178.76 3d0h h LEU 29 N -0.31 1.03 -0.48 0.59 -0.00 -1.14 -0.06 115.31 114.94 3d0h h LEU 29 Ca -0.00 -0.20 0.05 0.00 -0.00 0.00 0.00 57.88 57.72 3d0h h LEU 29 Cb 0.30 -0.27 -0.05 0.00 -0.00 0.00 0.00 40.66 40.65 3d0h h LEU 29 CO 0.00 0.96 0.22 -0.33 -0.00 0.00 0.00 178.44 179.29 3d0h h GLU 30 N 1.04 0.42 -0.79 1.13 5.08 -1.31 0.20 114.58 120.37 3d0h h GLU 30 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3d0h h GLU 30 Cb 0.29 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3d0h h GLU 30 CO -0.01 0.28 0.46 1.15 -1.00 0.00 0.00 179.01 179.89 3d0h h THR 31 N 0.43 1.22 0.89 1.13 2.02 -0.81 -2.58 112.91 115.22 3d0h h THR 31 Ca 0.22 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 3d0h h THR 31 Cb 0.16 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3d0h h THR 31 CO -0.18 0.24 -0.43 0.15 0.37 0.00 0.00 175.52 175.67 3d0h h PHE 32 N 1.09 -1.11 -0.62 3.16 3.04 0.63 -2.62 116.94 120.51 3d0h h PHE 32 Ca 0.28 -0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.26 3d0h h PHE 32 Cb -0.03 0.37 -0.07 0.00 2.56 0.00 0.00 35.95 38.78 3d0h h PHE 32 CO 0.01 -0.69 -0.37 0.09 -2.02 0.00 0.00 178.31 175.33 3d0h n ASN 33 N -5.45 -0.66 -0.25 0.41 5.03 0.55 0.22 115.26 115.11 3d0h n ASN 33 Ca -0.15 1.40 0.07 0.00 0.87 0.00 0.00 54.58 56.77 3d0h n ASN 33 Cb 0.47 -0.29 0.31 0.00 -1.02 0.00 0.00 39.78 39.25 3d0h n ASN 33 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 3d0h h TYR 34 N 0.00 0.90 0.01 3.10 -1.99 -1.48 -0.54 116.97 116.97 3d0h h TYR 34 Ca 0.10 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.75 3d0h h TYR 34 Cb 0.25 -0.29 0.01 0.00 2.00 0.00 0.00 36.73 38.70 3d0h h TYR 34 CO -0.92 0.44 -0.39 1.49 -0.00 0.00 0.00 178.16 178.78 3d0h h GLU 35 N 0.86 0.25 -0.30 4.88 4.57 -0.84 -3.29 114.58 120.70 3d0h h GLU 35 Ca 0.38 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3d0h h GLU 35 Cb 0.34 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3d0h h GLU 35 CO -0.15 1.01 0.16 0.00 -1.18 0.00 0.00 179.01 178.86 3d0h h ALA 36 N 0.25 0.37 -0.96 2.92 0.00 0.28 -1.78 119.26 120.34 3d0h h ALA 36 Ca -0.05 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.07 3d0h h ALA 36 Cb 1.16 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3d0h h ALA 36 CO 0.08 -0.21 0.62 1.96 0.00 0.00 0.00 179.25 181.69 3d0h h GLN 37 N 0.34 0.50 -0.05 0.00 4.20 -1.25 0.58 115.11 119.42 3d0h h GLN 37 Ca 0.12 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.59 3d0h h GLN 37 Cb 0.02 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3d0h h GLN 37 CO -0.07 0.33 -0.86 0.93 -0.67 0.00 0.00 178.83 178.49 3d0h h GLU 38 N 0.51 0.50 0.16 1.46 4.39 -1.40 -2.71 114.58 117.49 3d0h h GLU 38 Ca 0.52 -0.47 -0.25 0.00 0.34 0.00 0.00 59.36 59.50 3d0h h GLU 38 Cb 1.15 0.12 0.02 0.00 -0.10 0.00 0.00 28.75 29.93 3d0h h GLU 38 CO -0.25 1.11 -1.13 -0.07 -1.16 0.00 0.00 179.01 177.50 3d0h h LEU 39 N 0.31 0.53 -1.18 1.33 3.38 -0.80 -3.19 115.31 115.70 3d0h h LEU 39 Ca -0.06 -0.92 0.08 0.00 0.09 0.00 0.00 57.88 57.06 3d0h h LEU 39 Cb 1.47 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 3d0h h LEU 39 CO 0.15 1.53 0.58 -1.28 0.09 0.00 0.00 178.44 179.51 3d0h h SER 40 N -0.23 0.85 0.22 -0.43 0.87 0.02 0.17 113.55 115.02 3d0h h SER 40 Ca -0.21 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 3d0h h SER 40 Cb 1.80 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 3d0h h SER 40 CO 0.15 0.53 -0.11 0.22 -0.53 0.00 0.00 176.83 177.10 3d0h h TYR 41 N 0.96 -0.27 -0.56 2.24 3.20 -1.60 -0.47 116.97 120.47 3d0h h TYR 41 Ca 0.39 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.33 3d0h h TYR 41 Cb 0.28 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3d0h h TYR 41 CO -0.00 0.09 0.37 1.96 -1.64 0.00 0.00 178.16 178.94 3d0h h GLN 42 N -0.70 0.47 -0.03 1.82 4.20 -1.44 0.38 115.11 119.80 3d0h h GLN 42 Ca -0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3d0h h GLN 42 Cb 0.49 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 3d0h h GLN 42 CO 0.05 0.31 0.02 1.03 -0.67 0.00 0.00 178.83 179.57 3d0h h SER 43 N 0.48 0.05 -0.59 1.46 0.87 -0.83 -1.12 113.55 113.88 3d0h h SER 43 Ca 0.25 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3d0h h SER 43 Cb 0.35 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3d0h h SER 43 CO -0.07 0.17 0.24 0.28 -0.53 0.00 0.00 176.83 176.92 3d0h h SER 44 N -0.08 0.81 0.01 6.23 0.02 0.25 0.24 113.55 121.03 3d0h h SER 44 Ca 0.01 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 3d0h h SER 44 Cb 0.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3d0h h SER 44 CO -0.00 0.75 -0.16 0.58 -1.14 0.00 0.00 176.83 176.86 3d0h h VAL 45 N 0.81 1.20 0.54 2.27 2.07 -0.27 0.38 116.25 123.25 3d0h h VAL 45 Ca 0.20 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3d0h h VAL 45 Cb 0.19 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3d0h h VAL 45 CO -0.02 0.28 -0.26 0.00 0.02 0.00 0.00 177.57 177.60 3d0h h ALA 46 N 1.57 -0.73 -0.93 1.67 0.00 -0.76 -2.33 119.26 117.75 3d0h h ALA 46 Ca 0.05 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.06 3d0h h ALA 46 Cb 0.44 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 18.36 3d0h h ALA 46 CO 0.03 -0.69 0.25 0.77 0.00 0.00 0.00 179.25 179.61 3d0h h SER 47 N -1.17 -0.04 0.90 0.00 0.02 -0.30 -1.38 113.55 111.58 3d0h h SER 47 Ca -0.07 0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3d0h h SER 47 Cb 0.58 0.31 0.01 0.00 0.14 0.00 0.00 62.40 63.44 3d0h h SER 47 CO 0.12 -0.24 -0.43 -0.25 -1.14 0.00 0.00 176.83 174.90 3d0h h TRP 48 N 0.14 -1.12 -0.19 3.45 2.91 -0.93 -2.04 115.95 118.18 3d0h h TRP 48 Ca 0.61 -0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.66 3d0h h TRP 48 Cb 1.31 0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 30.32 3d0h h TRP 48 CO -0.27 -0.70 0.38 -0.91 -1.03 0.00 0.00 178.44 175.91 3d0h h ASN 49 N -1.31 0.00 0.04 2.65 -0.26 -0.69 -0.34 115.58 115.67 3d0h h ASN 49 Ca -0.12 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 3d0h h ASN 49 Cb 0.93 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.19 3d0h h ASN 49 CO 0.20 0.00 -0.02 0.22 -1.06 0.00 0.00 177.43 176.77 3d0h h TYR 50 N 0.00 -0.05 0.00 1.19 3.20 -1.27 -2.81 116.97 117.23 3d0h h TYR 50 Ca 0.09 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3d0h h TYR 50 Cb 0.84 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3d0h h TYR 50 CO 0.00 0.09 0.03 0.09 -1.64 0.00 0.00 178.16 176.74 3d0h n ASN 51 N -4.80 0.34 -0.08 -2.11 4.13 -0.24 -1.13 115.26 111.37 3d0h n ASN 51 Ca -0.02 0.64 0.05 0.00 1.68 0.00 0.00 54.58 56.93 3d0h n ASN 51 Cb 0.08 -0.68 -0.04 0.00 -1.54 0.00 0.00 39.78 37.61 3d0h n ASN 51 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3d0h n THR 52 N -1.96 0.00 -3.23 3.41 -2.24 -0.57 -2.19 114.28 107.50 3d0h n THR 52 Ca -0.01 -0.31 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 3d0h n THR 52 Cb 0.05 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 3d0h n THR 52 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3d0h s ASN 53 N -1.72 -0.98 -1.26 3.42 2.47 -0.29 -4.62 114.94 111.96 3d0h s ASN 53 Ca 0.05 -0.71 -0.08 0.00 0.42 0.00 0.00 52.86 52.53 3d0h s ASN 53 Cb 0.08 1.69 -0.07 0.00 -1.45 0.00 0.00 41.25 41.50 3d0h s ASN 53 CO 0.35 -0.22 2.50 -0.38 -3.72 0.00 0.00 177.10 175.63 3d0h n ILE 54 N 4.63 3.32 -2.41 -5.21 5.41 -0.26 -4.25 119.36 120.59 3d0h n ILE 54 Ca 0.09 -2.02 -0.25 0.00 1.00 0.00 0.00 62.75 61.57 3d0h n ILE 54 Cb 0.54 -2.38 0.05 0.00 -0.71 0.00 0.00 39.64 37.14 3d0h n ILE 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3d0h s THR 55 N 2.88 2.83 0.04 1.39 2.01 -1.26 -4.93 115.64 118.59 3d0h s THR 55 Ca 0.54 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 3d0h s THR 55 Cb 0.14 -3.14 -0.32 0.00 0.01 0.00 0.00 72.50 69.18 3d0h s THR 55 CO -0.04 -0.14 1.05 -0.08 -0.69 0.00 0.00 174.62 174.72 3d0h h GLU 56 N -0.26 0.58 0.00 4.92 4.57 -1.99 -1.94 114.58 120.46 3d0h h GLU 56 Ca -0.44 -0.87 -0.03 0.00 -1.18 0.00 0.00 59.36 56.83 3d0h h GLU 56 Cb 1.29 0.31 -0.00 0.00 -0.16 0.00 0.00 28.75 30.18 3d0h h GLU 56 CO 0.58 1.41 -0.16 1.05 -1.18 0.00 0.00 179.01 180.71 3d0h h GLU 57 N 0.19 0.00 -0.05 1.92 4.11 -1.98 -2.68 114.58 116.09 3d0h h GLU 57 Ca -0.22 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.08 3d0h h GLU 57 Cb 2.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.28 3d0h h GLU 57 CO 0.25 0.16 -0.47 -0.91 0.07 0.00 0.00 179.01 178.12 3d0h h ASN 58 N 0.00 0.49 0.03 3.06 4.21 -1.87 -3.07 115.58 118.44 3d0h h ASN 58 Ca -0.00 -0.70 -0.00 0.00 1.21 0.00 0.00 56.30 56.81 3d0h h ASN 58 Cb 0.33 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.38 3d0h h ASN 58 CO 0.02 1.12 -0.01 1.62 -1.29 0.00 0.00 177.43 178.89 3d0h h VAL 59 N -0.09 0.51 0.09 2.81 3.04 -1.20 -2.09 116.25 119.33 3d0h h VAL 59 Ca -0.04 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3d0h h VAL 59 Cb 1.15 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 3d0h h VAL 59 CO 0.09 0.01 -0.04 -0.61 -1.01 0.00 0.00 177.57 176.01 3d0h h GLN 60 N 0.00 -0.12 -0.07 4.17 5.75 -1.43 -3.27 115.11 120.15 3d0h h GLN 60 Ca -0.00 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3d0h h GLN 60 Cb 0.03 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 3d0h h GLN 60 CO 0.00 -0.08 0.06 -0.91 -2.65 0.00 0.00 178.83 175.26 3d0h h ASN 61 N -0.19 0.00 -0.87 -0.69 2.35 -1.43 0.08 115.58 114.83 3d0h h ASN 61 Ca -0.01 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3d0h h ASN 61 Cb 0.09 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.39 3d0h h ASN 61 CO 0.02 0.00 0.52 -0.03 -1.65 0.00 0.00 177.43 176.29 3d0h h MET 62 N 0.00 0.83 0.44 0.81 4.05 -1.48 -2.26 114.93 117.32 3d0h h MET 62 Ca 0.03 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3d0h h MET 62 Cb 0.16 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 3d0h h MET 62 CO -0.00 0.55 -0.21 -0.91 0.23 0.00 0.00 176.91 176.57 3d0h h ASN 63 N 0.86 -0.50 -0.20 1.39 4.21 -1.03 -3.01 115.58 117.29 3d0h h ASN 63 Ca 0.42 -0.06 0.02 0.00 1.21 0.00 0.00 56.30 57.89 3d0h h ASN 63 Cb 0.38 0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.68 3d0h h ASN 63 CO -0.25 -0.08 -0.20 0.78 -1.29 0.00 0.00 177.43 176.39 3d0h h ASN 64 N -1.08 -0.69 -0.86 5.81 2.35 -1.25 0.73 115.58 120.59 3d0h h ASN 64 Ca -0.06 0.10 0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3d0h h ASN 64 Cb 0.53 0.29 -0.07 0.00 0.05 0.00 0.00 38.32 39.12 3d0h h ASN 64 CO 0.10 -0.13 0.51 0.00 -1.65 0.00 0.00 177.43 176.27 3d0h h ALA 65 N -0.75 1.21 0.00 -0.83 0.00 -1.59 0.33 119.26 117.63 3d0h h ALA 65 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d0h h ALA 65 Cb 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d0h h ALA 65 CO -0.24 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3d0h n GLY 66 N -1.33 -1.21 0.13 0.00 0.00 -0.61 -0.58 105.19 101.60 3d0h n GLY 66 Ca 0.14 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 3d0h n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d0h n ASP 67 N -2.17 2.05 -0.30 1.61 8.00 0.25 -3.11 116.55 122.87 3d0h n ASP 67 Ca 0.02 0.14 -0.01 0.00 0.71 0.00 0.00 54.79 55.65 3d0h n ASP 67 Cb 0.20 -0.74 0.12 0.00 -0.02 0.00 0.00 41.12 40.68 3d0h n ASP 67 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3d0h h LYS 68 N -0.13 0.94 0.96 -1.24 1.57 -0.47 0.43 116.57 118.62 3d0h h LYS 68 Ca -0.48 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.19 3d0h h LYS 68 Cb 1.89 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 34.00 3d0h h LYS 68 CO -0.03 0.62 -0.46 2.35 -0.57 0.00 0.00 179.45 181.36 3d0h h TRP 69 N 0.97 -1.19 0.00 -1.35 -0.00 -1.01 0.51 115.95 113.88 3d0h h TRP 69 Ca 0.34 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.19 3d0h h TRP 69 Cb 0.09 0.39 -0.00 0.00 -0.00 0.00 0.00 29.16 29.64 3d0h h TRP 69 CO -0.03 -0.74 -0.06 0.66 -0.00 0.00 0.00 178.44 178.27 3d0h h SER 70 N -1.33 0.00 0.18 2.65 4.64 -1.45 0.15 113.55 118.38 3d0h h SER 70 Ca -0.13 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.95 3d0h h SER 70 Cb 0.99 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3d0h h SER 70 CO 0.22 0.06 -0.94 0.00 -0.87 0.00 0.00 176.83 175.29 3d0h h ALA 71 N 1.94 0.30 -0.33 5.18 0.00 -0.01 -2.72 119.26 123.62 3d0h h ALA 71 Ca -0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 3d0h h ALA 71 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3d0h h ALA 71 CO 0.01 0.76 -0.46 0.35 0.00 0.00 0.00 179.25 179.91 3d0h h PHE 72 N 0.32 1.07 -0.94 0.00 3.57 0.04 -1.92 116.94 119.08 3d0h h PHE 72 Ca -0.09 -0.34 0.08 0.00 3.53 0.00 0.00 57.97 61.15 3d0h h PHE 72 Cb 1.58 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 40.04 3d0h h PHE 72 CO 0.08 1.16 0.60 -0.07 -2.23 0.00 0.00 178.31 177.85 3d0h h LEU 73 N 0.69 0.90 0.45 0.59 3.38 -0.78 0.66 115.31 121.21 3d0h h LEU 73 Ca 0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3d0h h LEU 73 Cb 1.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3d0h h LEU 73 CO 0.10 0.55 -0.22 0.50 0.09 0.00 0.00 178.44 179.46 3d0h h LYS 74 N 1.01 -0.59 -0.82 1.13 3.11 -1.28 0.33 116.57 119.46 3d0h h LYS 74 Ca 0.42 0.04 0.14 0.00 -2.81 0.00 0.00 60.65 58.44 3d0h h LYS 74 Cb 0.31 0.13 -0.14 0.00 -1.00 0.00 0.00 32.23 31.53 3d0h h LYS 74 CO -0.18 -0.32 -0.28 -1.91 -2.81 0.00 0.00 179.45 173.96 3d0h n GLU 75 N -5.19 -0.15 0.03 1.90 2.13 -0.74 -0.66 120.64 117.96 3d0h n GLU 75 Ca -0.09 1.26 -0.06 0.00 0.66 0.00 0.00 57.16 58.93 3d0h n GLU 75 Cb 0.28 -1.88 0.12 0.00 0.27 0.00 0.00 31.44 30.23 3d0h n GLU 75 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3d0h h GLN 76 N 0.00 0.45 0.50 5.31 1.08 -0.71 -2.69 115.11 119.06 3d0h h GLN 76 Ca 0.32 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 3d0h h GLN 76 Cb 0.53 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3d0h h GLN 76 CO -0.82 0.83 -0.24 0.66 -0.95 0.00 0.00 178.83 178.30 3d0h h SER 77 N 0.37 -0.57 -0.29 1.46 4.64 0.20 0.26 113.55 119.61 3d0h h SER 77 Ca 0.02 -0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.35 3d0h h SER 77 Cb 0.95 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3d0h h SER 77 CO 0.08 -0.26 0.20 0.71 -0.87 0.00 0.00 176.83 176.69 3d0h h THR 78 N -0.89 0.89 -0.02 2.95 1.35 -1.29 -0.40 112.91 115.50 3d0h h THR 78 Ca -0.07 -0.02 -0.18 0.00 -0.55 0.00 0.00 66.41 65.59 3d0h h THR 78 Cb 0.60 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 3d0h h THR 78 CO 0.11 0.01 -0.79 -0.07 -0.25 0.00 0.00 175.52 174.53 3d0h h LEU 79 N 0.07 0.24 -0.85 3.87 3.38 -1.11 -2.98 115.31 117.93 3d0h h LEU 79 Ca 0.13 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3d0h h LEU 79 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3d0h h LEU 79 CO -0.01 0.93 -0.46 0.00 0.09 0.00 0.00 178.44 179.00 3d0h h ALA 80 N 1.05 1.02 -0.29 1.53 0.00 0.11 -2.85 119.26 119.83 3d0h h ALA 80 Ca -0.03 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.52 3d0h h ALA 80 Cb 1.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3d0h h ALA 80 CO 0.12 0.63 0.59 0.37 0.00 0.00 0.00 179.25 180.96 3d0h h GLN 81 N 0.22 0.00 -0.89 0.00 5.75 -1.03 0.15 115.11 119.31 3d0h h GLN 81 Ca 0.01 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 3d0h h GLN 81 Cb 0.89 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.42 3d0h h GLN 81 CO 0.07 0.00 0.06 -1.33 -2.65 0.00 0.00 178.83 174.98 3d0h n MET 82 N -3.16 2.16 -3.95 1.69 2.81 -1.08 -4.74 117.12 110.84 3d0h n MET 82 Ca 0.05 -1.11 -0.30 0.00 -1.81 0.00 0.00 57.70 54.53 3d0h n MET 82 Cb 0.72 -1.68 -0.16 0.00 -0.71 0.00 0.00 33.22 31.38 3d0h n MET 82 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3d0h s TYR 83 N -1.51 2.24 -0.63 2.03 1.51 0.51 -5.08 117.35 116.41 3d0h s TYR 83 Ca 0.20 -1.53 -0.26 0.00 -1.01 0.00 0.00 57.07 54.46 3d0h s TYR 83 Cb 0.15 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 3d0h s TYR 83 CO 0.05 -0.73 1.81 -1.25 -1.11 0.00 0.00 175.55 174.33 3d0h s PRO 84 N 1.45 2.67 0.47 -1.71 0.04 -1.26 -4.83 135.00 131.84 3d0h s PRO 84 Ca -0.02 0.51 0.27 0.00 0.04 0.00 0.00 61.00 61.79 3d0h s PRO 84 Cb -0.17 -4.39 0.86 0.00 0.04 0.00 0.00 34.50 30.84 3d0h s PRO 84 CO -0.07 -2.70 1.80 1.37 0.04 0.00 0.00 177.00 177.43 3d0h h LEU 85 N 16.17 0.00 -1.12 -3.56 -0.00 -1.95 -1.63 115.31 123.21 3d0h h LEU 85 Ca -0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.61 3d0h h LEU 85 Cb 1.15 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.77 3d0h h LEU 85 CO 1.22 0.08 0.36 1.56 -0.00 0.00 0.00 178.44 181.67 3d0h h GLN 86 N 0.00 0.97 -0.97 0.17 7.50 -2.01 -1.65 115.11 119.13 3d0h h GLN 86 Ca -0.00 -0.12 -0.08 0.00 0.50 0.00 0.00 58.65 58.95 3d0h h GLN 86 Cb 0.78 -0.19 -0.05 0.00 0.05 0.00 0.00 27.48 28.07 3d0h h GLN 86 CO 0.01 0.73 0.10 -1.91 -1.50 0.00 0.00 178.83 176.27 3d0h n GLU 87 N -4.35 1.48 -4.12 1.46 2.13 -0.62 -4.79 120.64 111.82 3d0h n GLU 87 Ca 0.07 -0.70 -0.19 0.00 0.66 0.00 0.00 57.16 57.00 3d0h n GLU 87 Cb 0.11 -1.40 -0.16 0.00 0.27 0.00 0.00 31.44 30.27 3d0h n GLU 87 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3d0h s ILE 88 N -0.96 0.44 -0.50 6.31 1.01 -0.62 -4.48 121.20 122.40 3d0h s ILE 88 Ca 0.13 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.76 3d0h s ILE 88 Cb 0.11 -0.47 0.32 0.00 0.01 0.00 0.00 42.46 42.43 3d0h s ILE 88 CO 0.03 0.19 0.81 0.00 0.00 0.00 0.00 174.94 175.97 3d0h n GLN 89 N 3.87 2.19 -3.09 2.79 0.00 -1.26 -4.88 117.38 117.00 3d0h n GLN 89 Ca -0.24 -4.21 -0.17 0.00 0.00 0.00 0.00 57.00 52.38 3d0h n GLN 89 Cb 0.52 -1.98 -0.05 0.00 0.00 0.00 0.00 30.24 28.73 3d0h n GLN 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3d0h n ASN 90 N 0.21 -1.70 -0.01 2.61 4.05 -1.26 -5.06 115.26 114.10 3d0h n ASN 90 Ca 0.28 -2.67 0.00 0.00 0.45 0.00 0.00 54.58 52.64 3d0h n ASN 90 Cb 0.49 0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.97 3d0h n ASN 90 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3d0h n LEU 91 N 2.65 -0.01 -0.11 1.20 4.32 -1.26 -0.00 117.00 123.79 3d0h n LEU 91 Ca 0.23 0.02 -0.14 0.00 -0.02 0.00 0.00 56.01 56.10 3d0h n LEU 91 Cb 0.53 -0.01 -0.10 0.00 -1.62 0.00 0.00 43.42 42.22 3d0h n LEU 91 CO 0.05 -0.02 0.50 0.74 -1.22 0.00 0.00 177.39 177.44 3d0h h THR 92 N 0.00 0.00 -0.36 -5.08 2.02 -1.97 -1.56 112.91 105.96 3d0h h THR 92 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3d0h h THR 92 Cb 0.01 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 3d0h h THR 92 CO -0.01 0.00 0.21 -0.37 0.37 0.00 0.00 175.52 175.72 3d0h h VAL 93 N -0.44 1.13 -0.57 3.16 -1.51 -0.87 -2.94 116.25 114.21 3d0h h VAL 93 Ca 0.06 -0.30 0.11 0.00 -1.23 0.00 0.00 66.70 65.34 3d0h h VAL 93 Cb 0.61 0.68 -0.09 0.00 -2.13 0.00 0.00 31.29 30.36 3d0h h VAL 93 CO -0.56 0.13 0.03 0.11 -1.23 0.00 0.00 177.57 176.05 3d0h h LYS 94 N 0.47 0.15 0.24 5.19 1.57 -1.35 0.39 116.57 123.23 3d0h h LYS 94 Ca 0.13 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3d0h h LYS 94 Cb 0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3d0h h LYS 94 CO -0.02 0.10 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.49 3d0h h LEU 95 N 0.15 -1.14 -0.58 2.94 3.38 -1.12 -0.79 115.31 118.16 3d0h h LEU 95 Ca 0.30 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 3d0h h LEU 95 Cb 0.46 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3d0h h LEU 95 CO -0.45 -0.47 0.34 0.06 0.09 0.00 0.00 178.44 178.01 3d0h h GLN 96 N -0.67 0.79 -0.64 1.13 3.07 -1.40 0.36 115.11 117.75 3d0h h GLN 96 Ca -0.03 -0.08 0.06 0.00 0.09 0.00 0.00 58.65 58.69 3d0h h GLN 96 Cb 0.62 -0.16 -0.05 0.00 0.08 0.00 0.00 27.48 27.97 3d0h h GLN 96 CO -0.13 0.58 0.35 1.25 0.09 0.00 0.00 178.83 180.97 3d0h h LEU 97 N 0.78 0.51 0.00 0.06 5.85 -0.88 -0.44 115.31 121.19 3d0h h LEU 97 Ca 0.21 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.78 3d0h h LEU 97 Cb -0.00 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3d0h h LEU 97 CO -0.04 0.33 -0.88 -0.61 -0.34 0.00 0.00 178.44 176.91 3d0h h GLN 98 N 0.65 0.00 0.00 1.25 -0.00 -0.76 0.13 115.11 116.37 3d0h h GLN 98 Ca 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.92 3d0h h GLN 98 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.66 3d0h h GLN 98 CO -0.18 0.80 -0.10 0.00 0.00 0.00 0.00 178.83 179.34 3d0h h ALA 99 N 1.17 1.56 0.00 3.38 0.00 0.15 -2.09 119.26 123.43 3d0h h ALA 99 Ca -0.02 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 3d0h h ALA 99 Cb 1.65 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 3d0h h ALA 99 CO 0.11 0.13 -1.56 1.25 0.00 0.00 0.00 179.25 179.18 3d0h h LEU 100 N 0.00 0.00 -5.67 0.00 6.46 -0.70 -3.37 115.31 112.03 3d0h h LEU 100 Ca -0.00 0.00 -0.52 0.00 -0.12 0.00 0.00 57.88 57.24 3d0h h LEU 100 Cb 0.22 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3d0h h LEU 100 CO 0.01 0.92 2.78 0.00 -0.62 0.00 0.00 178.44 181.54 3d0h n GLN 101 N -3.06 2.27 -4.31 1.25 6.02 0.41 -4.33 117.38 115.63 3d0h n GLN 101 Ca -0.13 -1.77 -0.26 0.00 -0.01 0.00 0.00 57.00 54.82 3d0h n GLN 101 Cb 1.00 -2.69 -0.09 0.00 1.02 0.00 0.00 30.24 29.47 3d0h n GLN 101 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3d0h s GLN 102 N 3.58 2.00 -0.04 -1.09 2.00 -1.26 -4.92 119.66 119.94 3d0h s GLN 102 Ca 0.49 -1.33 0.05 0.00 -2.00 0.00 0.00 55.36 52.57 3d0h s GLN 102 Cb 0.13 -2.11 -0.07 0.00 0.80 0.00 0.00 33.01 31.76 3d0h s GLN 102 CO -0.01 0.42 0.05 -1.71 -0.50 0.00 0.00 175.29 173.55 3d0h n ASN 103 N -0.04 3.69 0.00 6.67 2.85 -1.26 -4.77 115.26 122.39 3d0h n ASN 103 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 3d0h n ASN 103 Cb 0.56 0.84 0.00 0.00 1.24 0.00 0.00 39.78 42.42 3d0h n ASN 103 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3d0h n GLY 104 N 2.50 1.54 0.33 8.20 0.00 -1.26 -2.36 105.19 114.15 3d0h n GLY 104 Ca -0.06 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.59 3d0h n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d0h n SER 105 N -2.04 1.03 0.14 1.61 3.41 -1.26 -3.76 113.62 112.75 3d0h n SER 105 Ca 0.00 -1.38 0.11 0.00 -0.26 0.00 0.00 58.87 57.34 3d0h n SER 105 Cb 0.00 -0.01 0.52 0.00 -0.26 0.00 0.00 64.21 64.46 3d0h n SER 105 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3d0h n SER 106 N -0.18 0.59 0.17 4.04 7.64 -0.99 -1.98 113.62 122.91 3d0h n SER 106 Ca 0.20 0.70 0.13 0.00 1.01 0.00 0.00 58.87 60.92 3d0h n SER 106 Cb 0.27 -0.81 0.44 0.00 -1.01 0.00 0.00 64.21 63.10 3d0h n SER 106 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3d0h h VAL 107 N 0.00 0.00 -3.83 0.44 3.04 -1.65 -3.45 116.25 110.80 3d0h h VAL 107 Ca 0.00 -0.52 -0.40 0.00 -1.01 0.00 0.00 66.70 64.77 3d0h h VAL 107 Cb 0.18 1.44 0.16 0.00 -2.01 0.00 0.00 31.29 31.06 3d0h h VAL 107 CO 0.00 0.00 0.37 0.18 -1.01 0.00 0.00 177.57 177.11 3d0h n LEU 108 N -2.59 0.00 -4.93 3.16 4.77 -0.84 -5.04 117.00 111.53 3d0h n LEU 108 Ca 0.03 -1.40 -0.27 0.00 -0.03 0.00 0.00 56.01 54.35 3d0h n LEU 108 Cb 0.37 -0.92 0.10 0.00 -2.33 0.00 0.00 43.42 40.63 3d0h n LEU 108 CO 0.27 -1.35 0.68 -0.94 -1.33 0.00 0.00 177.39 174.72 3d0h s SER 109 N -5.48 4.43 0.19 -1.43 1.04 -1.26 -4.88 113.70 106.30 3d0h s SER 109 Ca 0.70 0.39 -0.10 0.00 0.48 0.00 0.00 55.95 57.42 3d0h s SER 109 Cb -0.02 -0.89 0.09 0.00 0.10 0.00 0.00 66.02 65.31 3d0h s SER 109 CO 0.49 -1.87 1.70 -0.08 0.98 0.00 0.00 173.24 174.46 3d0h h GLU 110 N -0.84 1.06 -0.32 4.02 4.81 -1.97 -1.40 114.58 119.94 3d0h h GLU 110 Ca -0.44 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.46 3d0h h GLU 110 Cb 1.30 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3d0h h GLU 110 CO 0.55 0.95 -0.11 -0.44 -0.73 0.00 0.00 179.01 179.24 3d0h h ASP 111 N 0.98 0.53 0.19 1.04 3.45 -2.00 -2.79 116.42 117.82 3d0h h ASP 111 Ca 0.21 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 3d0h h ASP 111 Cb 0.37 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3d0h h ASP 111 CO 0.00 0.68 -0.09 0.11 -1.57 0.00 0.00 179.24 178.37 3d0h h LYS 112 N 0.51 -0.25 0.00 3.56 1.57 -1.93 -3.00 116.57 117.03 3d0h h LYS 112 Ca 0.09 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3d0h h LYS 112 Cb 0.49 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3d0h h LYS 112 CO 0.03 -0.02 0.11 0.43 -0.57 0.00 0.00 179.45 179.43 3d0h n SER 113 N -4.94 0.06 -0.14 0.86 7.64 -0.53 0.12 113.62 116.69 3d0h n SER 113 Ca -0.05 0.43 -0.25 0.00 1.01 0.00 0.00 58.87 60.01 3d0h n SER 113 Cb 0.18 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 62.83 3d0h n SER 113 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3d0h n LYS 114 N -1.50 0.62 0.04 1.43 0.00 -1.06 -3.78 118.16 113.92 3d0h n LYS 114 Ca -0.00 0.21 -0.12 0.00 0.00 0.00 0.00 58.31 58.40 3d0h n LYS 114 Cb 0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.59 3d0h n LYS 114 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3d0h h ARG 115 N -0.56 -0.45 -0.27 1.64 9.65 -0.70 0.65 114.38 124.33 3d0h h ARG 115 Ca -0.65 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.30 3d0h h ARG 115 Cb 1.74 0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 30.35 3d0h h ARG 115 CO -0.28 -0.30 -0.52 1.25 2.80 0.00 0.00 179.97 182.91 3d0h h LEU 116 N -0.47 -1.70 -1.49 3.80 5.85 -0.54 0.16 115.31 120.92 3d0h h LEU 116 Ca 0.07 0.22 0.16 0.00 0.84 0.00 0.00 57.88 59.16 3d0h h LEU 116 Cb 0.57 0.69 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3d0h h LEU 116 CO -0.30 -0.44 0.54 0.78 -0.34 0.00 0.00 178.44 178.68 3d0h h ASN 117 N -0.48 0.46 -0.20 1.25 4.21 -1.58 0.37 115.58 119.61 3d0h h ASN 117 Ca 0.06 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.59 3d0h h ASN 117 Cb 0.64 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.77 3d0h h ASN 117 CO -0.51 0.23 0.05 0.74 -1.29 0.00 0.00 177.43 176.65 3d0h h THR 118 N 0.48 1.21 0.15 2.81 2.02 0.97 -1.63 112.91 118.92 3d0h h THR 118 Ca 0.41 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3d0h h THR 118 Cb 0.87 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3d0h h THR 118 CO -0.15 0.21 -0.23 0.40 0.37 0.00 0.00 175.52 176.11 3d0h h ILE 119 N 0.14 0.00 -1.28 3.11 1.08 0.63 0.33 117.51 121.52 3d0h h ILE 119 Ca 0.06 0.00 0.37 0.00 -0.39 0.00 0.00 64.86 64.90 3d0h h ILE 119 Cb 0.27 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.97 3d0h h ILE 119 CO 0.00 0.00 0.92 -0.07 -0.69 0.00 0.00 178.15 178.31 3d0h h LEU 120 N -0.40 0.00 0.06 1.44 3.38 -1.00 0.31 115.31 119.10 3d0h h LEU 120 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 3d0h h LEU 120 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3d0h h LEU 120 CO -0.08 0.00 -0.95 0.78 0.09 0.00 0.00 178.44 178.28 3d0h h ASN 121 N 0.00 0.18 -0.12 -0.43 2.35 -0.89 -2.84 115.58 113.83 3d0h h ASN 121 Ca 0.61 -0.80 0.04 0.00 -0.55 0.00 0.00 56.30 55.60 3d0h h ASN 121 Cb 2.44 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 40.70 3d0h h ASN 121 CO -0.01 1.40 -0.18 0.74 -1.65 0.00 0.00 177.43 177.73 3d0h h THR 122 N -0.68 0.53 0.57 2.81 2.02 0.18 0.35 112.91 118.68 3d0h h THR 122 Ca -0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3d0h h THR 122 Cb 1.43 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3d0h h THR 122 CO -0.02 0.00 -0.48 0.24 0.37 0.00 0.00 175.52 175.62 3d0h h MET 123 N -0.23 -0.99 -0.99 6.66 2.86 -0.64 -0.09 114.93 121.51 3d0h h MET 123 Ca 0.10 0.07 0.29 0.00 -2.06 0.00 0.00 59.70 58.09 3d0h h MET 123 Cb 0.37 0.23 -0.14 0.00 0.06 0.00 0.00 31.60 32.12 3d0h h MET 123 CO -0.26 -0.66 0.54 1.03 1.06 0.00 0.00 176.91 178.62 3d0h h SER 124 N -1.03 0.52 0.00 1.22 0.87 -1.39 -2.15 113.55 111.60 3d0h h SER 124 Ca -0.07 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3d0h h SER 124 Cb 0.87 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 3d0h h SER 124 CO -0.02 -0.06 0.00 0.41 -0.53 0.00 0.00 176.83 176.63 3d0h n THR 125 N -5.02 0.00 -0.02 2.23 -1.04 0.10 -2.59 114.28 107.94 3d0h n THR 125 Ca 0.29 0.81 -0.00 0.00 -2.04 0.00 0.00 64.05 63.11 3d0h n THR 125 Cb 0.88 -1.57 -0.00 0.00 -1.82 0.00 0.00 70.33 67.81 3d0h n THR 125 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3d0h n ILE 126 N -1.05 -0.03 0.04 12.58 5.41 -0.15 0.49 119.36 136.65 3d0h n ILE 126 Ca 0.00 0.12 -0.11 0.00 1.00 0.00 0.00 62.75 63.76 3d0h n ILE 126 Cb 0.00 -0.16 -0.05 0.00 -0.71 0.00 0.00 39.64 38.73 3d0h n ILE 126 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3d0h h TYR 127 N 0.00 -0.86 0.00 1.39 5.03 -1.47 0.49 116.97 121.55 3d0h h TYR 127 Ca 0.01 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.28 3d0h h TYR 127 Cb 0.02 0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 3d0h h TYR 127 CO -0.05 -0.40 -0.36 0.66 -1.32 0.00 0.00 178.16 176.69 3d0h h SER 128 N -0.44 0.00 -0.02 -2.11 4.64 0.31 -3.13 113.55 112.80 3d0h h SER 128 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3d0h h SER 128 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3d0h h SER 128 CO -0.29 0.36 -0.27 0.35 -0.87 0.00 0.00 176.83 176.11 3d0h n THR 129 N -3.50 0.00 -1.71 2.95 -2.24 -0.37 -4.95 114.28 104.46 3d0h n THR 129 Ca -0.00 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 3d0h n THR 129 Cb 0.51 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 3d0h n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d0h n GLY 130 N 1.39 0.64 3.28 3.38 0.00 0.17 -5.00 105.19 109.05 3d0h n GLY 130 Ca 0.11 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 3d0h n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d0h s LYS 131 N -2.01 0.39 -0.03 1.61 -2.85 -1.26 -4.17 119.74 111.42 3d0h s LYS 131 Ca 0.57 0.82 -0.03 0.00 -1.00 0.00 0.00 55.97 56.33 3d0h s LYS 131 Cb -0.54 0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.20 3d0h s LYS 131 CO 0.61 -0.17 0.15 0.14 0.10 0.00 0.00 175.35 176.19 3d0h s VAL 132 N 1.52 5.31 0.08 1.79 -7.23 -0.92 -4.89 120.40 116.05 3d0h s VAL 132 Ca -0.09 -0.13 0.10 0.00 -1.81 0.00 0.00 61.98 60.05 3d0h s VAL 132 Cb -0.09 -3.43 -0.03 0.00 0.56 0.00 0.00 36.38 33.39 3d0h s VAL 132 CO -0.13 0.39 -0.25 0.00 -0.31 0.00 0.00 175.10 174.80 3d0h n ASN 134 N 1.39 3.29 -0.16 0.00 2.85 -1.04 -4.88 115.26 116.70 3d0h n ASN 134 Ca -0.18 0.70 -0.05 0.00 -0.11 0.00 0.00 54.58 54.95 3d0h n ASN 134 Cb 0.53 -1.41 0.01 0.00 1.24 0.00 0.00 39.78 40.14 3d0h n ASN 134 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3d0h h PRO 135 N 11.20 -0.16 -1.54 1.20 0.11 -1.98 0.48 132.00 141.31 3d0h h PRO 135 Ca -0.44 0.01 -0.42 0.00 0.11 0.00 0.00 66.00 65.26 3d0h h PRO 135 Cb 1.27 0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.24 3d0h h PRO 135 CO 0.96 -0.10 0.50 -0.40 -0.21 0.00 0.00 178.00 178.75 3d0h n ASP 136 N -5.42 6.70 0.00 -2.05 5.68 -1.26 -4.37 116.55 115.83 3d0h n ASP 136 Ca 0.03 -3.23 0.00 0.00 -0.50 0.00 0.00 54.79 51.10 3d0h n ASP 136 Cb 0.34 -1.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.24 3d0h n ASP 136 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3d0h n ASN 137 N 0.23 0.00 -0.41 -1.12 2.85 0.13 -5.05 115.26 111.89 3d0h n ASN 137 Ca 0.39 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 3d0h n ASN 137 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 3d0h n ASN 137 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3d0h n PRO 138 N 0.00 0.49 -0.10 1.20 -0.02 -1.03 -3.16 135.00 132.37 3d0h n PRO 138 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 3d0h n PRO 138 Cb 0.00 -1.20 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 3d0h n PRO 138 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3d0h n GLN 139 N 0.12 0.55 -3.15 -0.52 7.27 -1.26 -4.94 117.38 115.45 3d0h n GLN 139 Ca 0.00 0.50 -0.39 0.00 0.07 0.00 0.00 57.00 57.18 3d0h n GLN 139 Cb 0.10 -1.68 -0.06 0.00 2.41 0.00 0.00 30.24 31.01 3d0h n GLN 139 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3d0h s GLU 140 N -2.39 4.36 0.10 3.69 2.12 -1.19 -5.04 118.70 120.35 3d0h s GLU 140 Ca -0.28 0.88 0.03 0.00 0.36 0.00 0.00 54.97 55.96 3d0h s GLU 140 Cb 0.07 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 3d0h s GLU 140 CO 0.50 0.51 -0.08 0.00 -0.54 0.00 0.00 175.26 175.65 3d0h s LEU 142 N -2.72 2.24 0.03 0.00 1.43 0.43 -4.96 118.68 115.12 3d0h s LEU 142 Ca 0.08 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3d0h s LEU 142 Cb 0.01 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3d0h s LEU 142 CO -0.02 0.05 0.05 -0.76 0.23 0.00 0.00 176.35 175.90 3d0h s LEU 143 N -1.54 3.73 0.13 1.79 1.02 -1.26 -2.17 118.68 120.37 3d0h s LEU 143 Ca 0.04 0.03 -0.15 0.00 0.02 0.00 0.00 54.13 54.06 3d0h s LEU 143 Cb -0.09 -2.26 0.06 0.00 0.02 0.00 0.00 46.19 43.92 3d0h s LEU 143 CO 0.03 0.24 1.00 -0.11 0.02 0.00 0.00 176.35 177.53 3d0h n LEU 144 N 0.98 -0.55 -4.49 1.79 7.94 -1.26 -1.45 117.00 119.97 3d0h n LEU 144 Ca -0.12 1.14 -0.34 0.00 -1.11 0.00 0.00 56.01 55.58 3d0h n LEU 144 Cb 0.52 -0.21 -0.12 0.00 0.53 0.00 0.00 43.42 44.14 3d0h n LEU 144 CO 0.39 -0.98 -0.35 -0.70 -1.11 0.00 0.00 177.39 174.64 3d0h s GLU 145 N -5.48 3.66 0.00 1.96 2.56 -1.26 0.72 118.70 120.87 3d0h s GLU 145 Ca -0.08 -0.52 0.23 0.00 0.00 0.00 0.00 54.97 54.59 3d0h s GLU 145 Cb 0.10 -2.95 0.49 0.00 2.00 0.00 0.00 34.13 33.77 3d0h s GLU 145 CO 0.43 0.19 1.43 -0.35 -0.56 0.00 0.00 175.26 176.40 3d0h n PRO 146 N 3.70 2.34 0.00 4.30 -0.04 -1.24 -4.93 135.00 139.13 3d0h n PRO 146 Ca -0.17 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 3d0h n PRO 146 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3d0h n PRO 146 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d0h n GLY 147 N 1.43 -1.38 0.25 0.55 0.00 -0.53 -2.12 105.19 103.38 3d0h n GLY 147 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3d0h n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3d0h h LEU 148 N 0.00 -0.59 -0.84 0.99 -0.00 -1.20 -2.79 115.31 110.89 3d0h h LEU 148 Ca 0.00 0.07 0.18 0.00 -0.00 0.00 0.00 57.88 58.13 3d0h h LEU 148 Cb 0.00 0.23 -0.16 0.00 -0.00 0.00 0.00 40.66 40.73 3d0h h LEU 148 CO 0.00 -0.29 -0.13 0.78 -0.00 0.00 0.00 178.44 178.80 3d0h h ASN 149 N -0.39 -0.64 -0.75 -0.43 -0.26 0.15 0.30 115.58 113.55 3d0h h ASN 149 Ca 0.03 0.24 0.05 0.00 -0.56 0.00 0.00 56.30 56.06 3d0h h ASN 149 Cb 0.42 0.47 -0.05 0.00 -1.06 0.00 0.00 38.32 38.10 3d0h h ASN 149 CO -0.12 -0.26 0.46 -0.08 -1.06 0.00 0.00 177.43 176.36 3d0h h GLU 150 N 0.02 0.84 0.19 0.81 4.22 -1.16 0.15 114.58 119.65 3d0h h GLU 150 Ca 0.43 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.81 3d0h h GLU 150 Cb 0.71 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3d0h h GLU 150 CO -0.82 0.55 -0.13 0.82 -2.18 0.00 0.00 179.01 177.25 3d0h h ILE 151 N 0.86 0.73 0.00 2.32 2.04 -0.31 -0.86 117.51 122.28 3d0h h ILE 151 Ca 0.32 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.17 3d0h h ILE 151 Cb 0.11 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3d0h h ILE 151 CO -0.15 0.00 -0.03 0.24 0.00 0.00 0.00 178.15 178.21 3d0h h MET 152 N -0.31 0.00 -0.00 2.37 2.86 -0.59 -0.89 114.93 118.36 3d0h h MET 152 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3d0h h MET 152 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3d0h h MET 152 CO 0.01 0.03 -0.78 0.00 1.06 0.00 0.00 176.91 177.24 3d0h n ALA 153 N -2.31 4.22 0.00 6.32 0.00 -0.01 -3.43 120.51 125.31 3d0h n ALA 153 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3d0h n ALA 153 Cb 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3d0h n ALA 153 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d0h n ASN 154 N -1.48 0.58 -4.64 0.00 4.13 -0.39 -4.94 115.26 108.52 3d0h n ASN 154 Ca 0.05 0.00 -0.49 0.00 1.68 0.00 0.00 54.58 55.82 3d0h n ASN 154 Cb 0.33 0.02 -0.05 0.00 -1.54 0.00 0.00 39.78 38.54 3d0h n ASN 154 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3d0h n SER 155 N -1.36 2.47 -0.85 6.41 2.88 -0.39 -4.86 113.62 117.92 3d0h n SER 155 Ca 0.00 1.10 0.11 0.00 -1.33 0.00 0.00 58.87 58.75 3d0h n SER 155 Cb 0.07 -1.33 0.28 0.00 -0.75 0.00 0.00 64.21 62.49 3d0h n SER 155 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3d0h n LEU 156 N 3.04 2.55 -4.60 2.46 7.99 -1.26 -4.92 117.00 122.26 3d0h n LEU 156 Ca 0.18 -1.10 -0.41 0.00 -0.01 0.00 0.00 56.01 54.67 3d0h n LEU 156 Cb 0.25 -0.19 -0.07 0.00 -0.11 0.00 0.00 43.42 43.30 3d0h n LEU 156 CO 0.63 0.55 0.34 -0.62 -1.51 0.00 0.00 177.39 176.77 3d0h s ASP 157 N -1.49 6.46 0.25 -1.43 2.15 -1.26 -4.95 116.67 116.40 3d0h s ASP 157 Ca 0.35 0.38 -0.03 0.00 0.43 0.00 0.00 52.55 53.68 3d0h s ASP 157 Cb 0.20 -2.31 0.46 0.00 -0.30 0.00 0.00 42.92 40.97 3d0h s ASP 157 CO 0.28 -0.44 1.80 0.22 -0.17 0.00 0.00 175.17 176.86 3d0h h TYR 158 N 8.20 0.85 0.15 -5.34 3.20 -1.98 -2.60 116.97 119.45 3d0h h TYR 158 Ca -0.27 0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.34 3d0h h TYR 158 Cb 1.12 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 39.15 3d0h h TYR 158 CO 0.75 0.30 -1.32 -0.91 -1.64 0.00 0.00 178.16 175.34 3d0h h ASN 159 N 0.75 0.49 -0.79 -2.11 2.35 -1.98 -1.54 115.58 112.75 3d0h h ASN 159 Ca 0.43 -0.54 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3d0h h ASN 159 Cb 0.48 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 3d0h h ASN 159 CO -0.29 1.43 0.52 -0.08 -1.65 0.00 0.00 177.43 177.36 3d0h h GLU 160 N 0.09 1.03 -0.10 0.81 4.81 -1.96 0.24 114.58 119.50 3d0h h GLU 160 Ca -0.17 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 58.84 3d0h h GLU 160 Cb 2.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 3d0h h GLU 160 CO 0.21 0.68 -0.63 0.00 -0.73 0.00 0.00 179.01 178.54 3d0h h ARG 161 N 1.06 0.37 -0.25 1.92 3.08 -1.46 -2.16 114.38 116.94 3d0h h ARG 161 Ca 0.29 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3d0h h ARG 161 Cb -0.11 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3d0h h ARG 161 CO -0.07 0.88 0.11 1.25 -1.07 0.00 0.00 179.97 181.07 3d0h h LEU 162 N 0.27 0.34 0.00 3.04 5.85 -0.70 -2.03 115.31 122.08 3d0h h LEU 162 Ca -0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3d0h h LEU 162 Cb 1.16 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3d0h h LEU 162 CO 0.11 0.39 0.00 1.87 -0.34 0.00 0.00 178.44 180.46 3d0h n TRP 163 N -4.80 0.00 -0.14 1.25 -0.00 0.80 -1.26 117.44 113.29 3d0h n TRP 163 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.44 3d0h n TRP 163 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.39 3d0h n TRP 163 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3d0h n ALA 164 N -1.18 -0.21 -0.28 5.87 0.00 -0.83 0.31 120.51 124.18 3d0h n ALA 164 Ca 0.00 0.28 0.10 0.00 0.00 0.00 0.00 53.44 53.82 3d0h n ALA 164 Cb 0.00 0.10 0.25 0.00 0.00 0.00 0.00 19.45 19.80 3d0h n ALA 164 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3d0h h TRP 165 N 0.00 0.30 0.11 0.00 7.01 -1.38 -1.27 115.95 120.71 3d0h h TRP 165 Ca 0.05 0.05 -0.27 0.00 2.11 0.00 0.00 58.89 60.83 3d0h h TRP 165 Cb 0.14 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.21 3d0h h TRP 165 CO -0.62 -0.18 -1.19 1.49 -2.79 0.00 0.00 178.44 175.15 3d0h h GLU 166 N 0.22 0.39 0.03 2.65 4.57 0.13 -3.09 114.58 119.48 3d0h h GLU 166 Ca 0.50 -0.57 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3d0h h GLU 166 Cb 0.97 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3d0h h GLU 166 CO -0.62 1.24 -0.02 0.77 -1.18 0.00 0.00 179.01 179.20 3d0h h SER 167 N 0.16 -0.04 -0.39 1.04 0.02 -0.19 -0.05 113.55 114.09 3d0h h SER 167 Ca -0.14 -0.32 0.08 0.00 -0.84 0.00 0.00 61.79 60.57 3d0h h SER 167 Cb 1.88 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 64.34 3d0h h SER 167 CO 0.21 0.30 -0.30 -0.25 -1.14 0.00 0.00 176.83 175.65 3d0h h TRP 168 N -0.38 -0.81 0.00 3.45 2.91 -1.39 0.49 115.95 120.21 3d0h h TRP 168 Ca -0.00 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 3d0h h TRP 168 Cb 0.35 0.42 -0.00 0.00 -0.51 0.00 0.00 29.16 29.42 3d0h h TRP 168 CO 0.04 -0.36 -0.08 0.00 -1.03 0.00 0.00 178.44 177.01 3d0h h ARG 169 N -0.23 0.00 0.12 2.65 3.08 -1.46 -2.52 114.38 116.02 3d0h h ARG 169 Ca 0.18 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.03 3d0h h ARG 169 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.58 3d0h h ARG 169 CO -0.52 0.08 -0.95 1.03 -1.07 0.00 0.00 179.97 178.53 3d0h h SER 170 N 0.00 0.38 0.00 7.04 0.87 0.43 -2.99 113.55 119.29 3d0h h SER 170 Ca -0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 3d0h h SER 170 Cb 0.60 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3d0h h SER 170 CO 0.01 1.43 0.00 -0.62 -0.53 0.00 0.00 176.83 177.12 3d0h n GLU 171 N -4.12 0.00 0.09 2.24 -0.58 0.16 -3.28 120.64 115.15 3d0h n GLU 171 Ca -0.18 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.62 3d0h n GLU 171 Cb 0.81 -0.20 0.28 0.00 -0.57 0.00 0.00 31.44 31.76 3d0h n GLU 171 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3d0h n VAL 172 N -0.23 1.29 -0.09 2.62 0.24 -0.97 -2.34 118.33 118.85 3d0h n VAL 172 Ca 0.00 0.63 -0.18 0.00 -2.04 0.00 0.00 64.34 62.75 3d0h n VAL 172 Cb 0.00 -1.63 -0.10 0.00 -1.47 0.00 0.00 33.84 30.64 3d0h n VAL 172 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3d0h h GLY 173 N 0.00 0.00 1.96 7.63 0.00 -1.42 -3.24 103.07 108.00 3d0h h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d0h h GLY 173 CO 0.00 0.00 0.02 0.50 0.00 0.00 0.00 176.54 177.06 3d0h h LYS 174 N -1.00 0.00 0.15 4.80 1.57 -1.32 -2.53 116.57 118.23 3d0h h LYS 174 Ca -0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3d0h h LYS 174 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3d0h h LYS 174 CO -0.15 0.00 -0.07 1.96 -0.57 0.00 0.00 179.45 180.62 3d0h h GLN 175 N 0.00 -0.19 0.00 3.15 4.20 -1.65 -3.20 115.11 117.42 3d0h h GLN 175 Ca 0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3d0h h GLN 175 Cb 0.04 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3d0h h GLN 175 CO -0.00 0.25 0.00 1.28 -0.67 0.00 0.00 178.83 179.69 3d0h n LEU 176 N -4.93 0.33 0.22 1.46 4.77 -0.97 -3.62 117.00 114.25 3d0h n LEU 176 Ca -0.08 0.63 -0.16 0.00 -0.03 0.00 0.00 56.01 56.37 3d0h n LEU 176 Cb 0.27 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 3d0h n LEU 176 CO 0.28 -0.63 0.62 -0.09 -1.33 0.00 0.00 177.39 176.24 3d0h h ARG 177 N 0.00 -0.71 0.51 3.23 9.65 -1.51 0.15 114.38 125.70 3d0h h ARG 177 Ca 0.00 0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3d0h h ARG 177 Cb 0.11 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3d0h h ARG 177 CO 0.00 -0.47 -0.29 -1.35 2.80 0.00 0.00 179.97 180.66 3d0h h PRO 178 N -0.74 -0.71 -0.97 0.20 0.11 -1.78 -2.50 132.00 125.60 3d0h h PRO 178 Ca -0.02 0.05 0.30 0.00 0.11 0.00 0.00 66.00 66.43 3d0h h PRO 178 Cb 0.68 0.16 -0.18 0.00 0.11 0.00 0.00 31.00 31.77 3d0h h PRO 178 CO -0.08 -0.47 0.16 -0.07 -0.21 0.00 0.00 178.00 177.32 3d0h h LEU 179 N -0.74 -0.25 -0.96 2.35 4.07 -1.75 0.46 115.31 118.49 3d0h h LEU 179 Ca -0.07 0.26 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 3d0h h LEU 179 Cb 0.58 0.41 -0.03 0.00 1.08 0.00 0.00 40.66 42.70 3d0h h LEU 179 CO 0.09 -0.34 0.35 0.22 -1.08 0.00 0.00 178.44 177.67 3d0h h TYR 180 N 0.04 1.10 -0.73 1.13 3.20 -0.37 0.51 116.97 121.85 3d0h h TYR 180 Ca 0.64 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.45 3d0h h TYR 180 Cb 1.42 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 3d0h h TYR 180 CO -0.37 0.81 0.44 0.93 -1.64 0.00 0.00 178.16 178.33 3d0h h GLU 181 N 1.08 1.00 -0.14 1.82 5.08 0.34 0.12 114.58 123.87 3d0h h GLU 181 Ca 0.26 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.32 3d0h h GLU 181 Cb 0.14 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3d0h h GLU 181 CO -0.03 0.71 -0.73 1.49 -1.00 0.00 0.00 179.01 179.45 3d0h h GLU 182 N 1.00 0.65 -0.94 2.33 4.81 -1.02 -2.97 114.58 118.45 3d0h h GLU 182 Ca 0.26 -0.51 0.09 0.00 -0.13 0.00 0.00 59.36 59.07 3d0h h GLU 182 Cb -0.03 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.38 3d0h h GLU 182 CO -0.05 1.13 0.58 -0.92 -0.73 0.00 0.00 179.01 179.02 3d0h h TYR 183 N 0.45 1.06 -0.32 0.92 5.03 0.61 -1.34 116.97 123.38 3d0h h TYR 183 Ca -0.04 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 3d0h h TYR 183 Cb 1.33 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 39.26 3d0h h TYR 183 CO 0.07 0.47 0.18 0.28 -1.32 0.00 0.00 178.16 177.84 3d0h h VAL 184 N 0.98 1.14 0.00 1.81 2.07 -0.70 -2.14 116.25 119.42 3d0h h VAL 184 Ca 0.44 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3d0h h VAL 184 Cb 0.34 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3d0h h VAL 184 CO -0.23 0.14 0.00 0.52 0.02 0.00 0.00 177.57 178.02 3d0h n VAL 185 N -4.79 0.00 -0.27 2.57 0.31 -0.60 -1.20 118.33 114.34 3d0h n VAL 185 Ca -0.01 1.42 0.19 0.00 -0.01 0.00 0.00 64.34 65.93 3d0h n VAL 185 Cb 0.08 -2.42 0.48 0.00 -0.91 0.00 0.00 33.84 31.07 3d0h n VAL 185 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3d0h h LEU 186 N 0.00 0.47 -0.40 7.52 3.38 -1.39 0.14 115.31 125.03 3d0h h LEU 186 Ca 0.00 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3d0h h LEU 186 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3d0h h LEU 186 CO 0.00 0.17 -0.68 0.50 0.09 0.00 0.00 178.44 178.52 3d0h h LYS 187 N 0.46 0.51 0.36 1.13 1.63 -1.40 -1.52 116.57 117.74 3d0h h LYS 187 Ca 0.50 -0.39 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 3d0h h LYS 187 Cb 1.19 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3d0h h LYS 187 CO -0.22 1.01 -0.17 -0.91 -3.45 0.00 0.00 179.45 175.71 3d0h h ASN 188 N 0.36 -0.40 -0.33 4.20 2.35 0.71 -1.77 115.58 120.70 3d0h h ASN 188 Ca -0.02 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3d0h h ASN 188 Cb 1.26 0.10 -0.08 0.00 0.05 0.00 0.00 38.32 39.66 3d0h h ASN 188 CO 0.12 -0.29 -0.55 -0.33 -1.65 0.00 0.00 177.43 174.74 3d0h h GLU 189 N -0.48 -0.43 -0.99 0.81 5.08 -1.23 0.33 114.58 117.66 3d0h h GLU 189 Ca -0.05 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.53 3d0h h GLU 189 Cb 0.37 0.10 -0.19 0.00 0.50 0.00 0.00 28.75 29.53 3d0h h GLU 189 CO 0.08 -0.29 -0.26 -0.12 -1.00 0.00 0.00 179.01 177.42 3d0h n MET 190 N -5.36 -0.10 0.05 2.33 1.56 -0.58 -0.74 117.12 114.28 3d0h n MET 190 Ca -0.04 1.54 -0.13 0.00 -0.27 0.00 0.00 57.70 58.80 3d0h n MET 190 Cb 0.35 -2.30 -0.09 0.00 2.15 0.00 0.00 33.22 33.34 3d0h n MET 190 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3d0h h ALA 191 N 1.93 -0.16 -0.11 -5.12 0.00 -0.23 -3.07 119.26 112.50 3d0h h ALA 191 Ca 0.46 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3d0h h ALA 191 Cb 0.71 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3d0h h ALA 191 CO -1.01 -0.38 -0.09 0.00 0.00 0.00 0.00 179.25 177.76 3d0h h ARG 192 N -0.57 -0.11 -0.13 0.00 3.08 0.60 -0.12 114.38 117.14 3d0h h ARG 192 Ca -0.02 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.08 3d0h h ARG 192 Cb 0.45 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3d0h h ARG 192 CO 0.03 -0.07 0.34 0.00 -1.07 0.00 0.00 179.97 179.20 3d0h h ALA 193 N 0.97 1.58 -0.47 0.04 0.00 -1.01 0.39 119.26 120.75 3d0h h ALA 193 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3d0h h ALA 193 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3d0h h ALA 193 CO -0.17 -0.41 0.00 0.09 0.00 0.00 0.00 179.25 178.76 3d0h n ASN 194 N -3.19 4.07 -2.08 0.00 5.03 -0.08 -4.92 115.26 114.08 3d0h n ASN 194 Ca 0.01 -2.48 -0.11 0.00 0.87 0.00 0.00 54.58 52.87 3d0h n ASN 194 Cb 0.43 -0.56 0.04 0.00 -1.02 0.00 0.00 39.78 38.68 3d0h n ASN 194 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3d0h n HIS 195 N 0.68 -1.34 -4.45 3.10 8.25 0.14 -5.05 115.22 116.54 3d0h n HIS 195 Ca 0.20 0.49 -0.23 0.00 -0.26 0.00 0.00 57.72 57.93 3d0h n HIS 195 Cb 0.81 -3.14 -0.10 0.00 1.12 0.00 0.00 29.99 28.67 3d0h n HIS 195 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3d0h s TYR 196 N -3.16 2.15 -0.07 4.41 2.02 -1.08 -5.02 117.35 116.60 3d0h s TYR 196 Ca 0.21 -0.44 -0.26 0.00 -0.37 0.00 0.00 57.07 56.21 3d0h s TYR 196 Cb -0.09 -1.02 -0.21 0.00 -0.40 0.00 0.00 41.96 40.23 3d0h s TYR 196 CO 0.36 0.58 1.02 0.93 -1.57 0.00 0.00 175.55 176.87 3d0h h GLU 197 N 2.30 -0.03 0.00 -0.62 5.08 -1.91 -3.33 114.58 116.07 3d0h h GLU 197 Ca -0.40 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.70 3d0h h GLU 197 Cb 1.25 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 3d0h h GLU 197 CO 0.63 0.63 -0.11 -0.40 -1.00 0.00 0.00 179.01 178.75 3d0h n ASP 198 N -4.78 -1.42 0.12 1.42 5.75 -1.26 -4.68 116.55 111.70 3d0h n ASP 198 Ca -0.09 -2.85 0.04 0.00 -0.01 0.00 0.00 54.79 51.88 3d0h n ASP 198 Cb 0.33 2.61 0.44 0.00 -1.03 0.00 0.00 41.12 43.47 3d0h n ASP 198 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3d0h h TYR 199 N 2.00 0.26 0.06 2.11 3.20 -1.81 -1.37 116.97 121.42 3d0h h TYR 199 Ca -0.27 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.60 3d0h h TYR 199 Cb 1.18 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 3d0h h TYR 199 CO 0.00 0.30 -0.16 0.78 -1.64 0.00 0.00 178.16 177.44 3d0h h GLY 200 N 0.59 -0.25 0.58 1.82 0.00 -1.91 -0.92 103.07 102.97 3d0h h GLY 200 Ca 0.06 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.65 3d0h h GLY 200 CO 0.01 -0.15 0.40 -1.80 0.00 0.00 0.00 176.54 175.00 3d0h h ASP 201 N -0.29 0.58 -0.09 0.19 3.58 -1.76 -1.24 116.42 117.38 3d0h h ASP 201 Ca 0.03 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.57 3d0h h ASP 201 Cb 0.33 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.25 3d0h h ASP 201 CO -0.11 0.35 -0.42 0.22 -2.88 0.00 0.00 179.24 176.40 3d0h h TYR 202 N 0.71 -1.20 -0.61 0.28 3.20 -0.55 -1.33 116.97 117.46 3d0h h TYR 202 Ca 0.35 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 3d0h h TYR 202 Cb 0.29 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 3d0h h TYR 202 CO -0.08 -0.48 0.38 -1.49 -1.64 0.00 0.00 178.16 174.85 3d0h h TRP 203 N -0.51 0.80 0.00 -3.82 6.55 -0.72 0.36 115.95 118.60 3d0h h TRP 203 Ca 0.07 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.91 3d0h h TRP 203 Cb 0.63 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 3d0h h TRP 203 CO -0.47 0.53 0.00 0.54 -1.05 0.00 0.00 178.44 178.00 3d0h n ARG 204 N -4.62 0.13 -0.30 0.49 1.74 -0.51 -1.76 116.66 111.83 3d0h n ARG 204 Ca 0.04 0.21 -0.05 0.00 -0.77 0.00 0.00 57.85 57.28 3d0h n ARG 204 Cb 0.05 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.05 3d0h n ARG 204 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3d0h h GLY 205 N 1.63 1.23 -0.76 -0.13 0.00 0.23 -3.10 103.07 102.17 3d0h h GLY 205 Ca 0.00 -0.59 0.37 0.00 0.00 0.00 0.00 47.33 47.11 3d0h h GLY 205 CO 0.00 0.56 0.74 -1.80 0.00 0.00 0.00 176.54 176.04 3d0h h ASP 206 N 1.13 0.35 0.18 0.19 1.82 -1.47 0.12 116.42 118.74 3d0h h ASP 206 Ca 0.28 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 3d0h h ASP 206 Cb 0.09 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.20 3d0h h ASP 206 CO -0.04 -0.12 -0.08 -1.22 -1.61 0.00 0.00 179.24 176.17 3d0h n TYR 207 N -4.78 0.00 -2.21 0.28 4.02 -1.17 -4.83 117.16 108.47 3d0h n TYR 207 Ca 0.33 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.88 3d0h n TYR 207 Cb 1.20 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 40.43 3d0h n TYR 207 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3d0h s GLU 208 N -2.27 3.39 -0.14 -0.72 2.12 0.43 -4.77 118.70 116.74 3d0h s GLU 208 Ca 0.34 1.41 -0.09 0.00 0.36 0.00 0.00 54.97 56.99 3d0h s GLU 208 Cb 0.21 -2.03 0.05 0.00 0.26 0.00 0.00 34.13 32.62 3d0h s GLU 208 CO 0.42 -0.78 0.35 0.08 -0.54 0.00 0.00 175.26 174.80 3d0h s VAL 209 N -2.08 -0.02 -0.09 3.70 1.01 0.02 -4.87 120.40 118.07 3d0h s VAL 209 Ca 0.68 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.76 3d0h s VAL 209 Cb -0.19 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3d0h s VAL 209 CO 0.29 0.03 -0.14 0.20 0.00 0.00 0.00 175.10 175.49 3d0h s ASN 210 N 1.04 2.17 0.00 3.32 0.01 -1.26 -1.97 114.94 118.24 3d0h s ASN 210 Ca -0.07 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 3d0h s ASN 210 Cb -0.07 -0.97 0.00 0.00 0.41 0.00 0.00 41.25 40.62 3d0h s ASN 210 CO -0.08 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 3d0h n GLY 211 N 4.09 -2.58 0.00 0.66 0.00 -1.26 -5.03 105.19 101.07 3d0h n GLY 211 Ca -0.20 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3d0h n GLY 211 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3d0h n VAL 212 N 0.02 0.00 -1.29 1.61 0.24 -1.26 -4.97 118.33 112.68 3d0h n VAL 212 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3d0h n VAL 212 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3d0h n VAL 212 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3d0h n ASP 213 N -0.03 -4.10 0.00 -1.34 8.00 -1.26 -4.61 116.55 113.21 3d0h n ASP 213 Ca 0.00 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.00 3d0h n ASP 213 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 3d0h n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d0h n GLY 214 N 0.52 2.71 0.19 0.44 0.00 -1.26 -4.68 105.19 103.11 3d0h n GLY 214 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3d0h n GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d0h n TYR 215 N -1.94 0.00 -2.26 1.61 4.02 -1.26 -4.96 117.16 112.37 3d0h n TYR 215 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 3d0h n TYR 215 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3d0h n TYR 215 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3d0h s ASP 216 N -2.35 5.76 -0.15 7.72 1.11 -1.26 -4.78 116.67 122.73 3d0h s ASP 216 Ca 0.10 2.18 -0.09 0.00 0.18 0.00 0.00 52.55 54.93 3d0h s ASP 216 Cb 0.14 -2.58 0.05 0.00 1.07 0.00 0.00 42.92 41.59 3d0h s ASP 216 CO 0.58 -1.19 0.36 -0.47 1.18 0.00 0.00 175.17 175.63 3d0h s TYR 217 N -1.76 -0.50 0.21 4.23 5.04 -0.83 -4.90 117.35 118.84 3d0h s TYR 217 Ca 0.72 1.11 0.04 0.00 -2.44 0.00 0.00 57.07 56.50 3d0h s TYR 217 Cb -0.24 0.19 -0.03 0.00 0.35 0.00 0.00 41.96 42.23 3d0h s TYR 217 CO 0.27 -0.29 0.34 -1.54 -1.34 0.00 0.00 175.55 172.99 3d0h s SER 218 N 1.14 6.33 0.56 4.32 1.04 -1.26 -0.80 113.70 125.04 3d0h s SER 218 Ca -0.08 0.11 0.34 0.00 0.48 0.00 0.00 55.95 56.80 3d0h s SER 218 Cb -0.08 -1.88 1.64 0.00 0.10 0.00 0.00 66.02 65.80 3d0h s SER 218 CO -0.09 -0.03 2.10 0.03 0.98 0.00 0.00 173.24 176.23 3d0h h ARG 219 N 1.49 0.00 0.07 4.02 3.08 -1.93 -1.90 114.38 119.22 3d0h h ARG 219 Ca -0.51 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.27 3d0h h ARG 219 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 3d0h h ARG 219 CO 0.64 0.05 -1.38 0.78 -1.07 0.00 0.00 179.97 178.99 3d0h h GLY 220 N 1.13 0.17 2.00 0.04 0.00 -1.95 -3.34 103.07 101.12 3d0h h GLY 220 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3d0h h GLY 220 CO 0.01 0.38 0.00 -0.18 0.00 0.00 0.00 176.54 176.74 3d0h n GLN 221 N -3.37 0.12 0.07 4.80 7.27 -0.71 -2.31 117.38 123.25 3d0h n GLN 221 Ca -0.11 0.49 -0.03 0.00 0.07 0.00 0.00 57.00 57.42 3d0h n GLN 221 Cb 1.01 -1.81 -0.01 0.00 2.41 0.00 0.00 30.24 31.84 3d0h n GLN 221 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3d0h h LEU 222 N 0.00 -0.15 -0.94 1.69 5.85 -1.67 -1.98 115.31 118.10 3d0h h LEU 222 Ca 0.00 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.88 3d0h h LEU 222 Cb 0.17 0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.08 3d0h h LEU 222 CO 0.00 -0.09 -0.33 -0.38 -0.34 0.00 0.00 178.44 177.31 3d0h n ILE 223 N -2.62 -0.47 0.07 4.05 5.41 -0.98 -0.55 119.36 124.28 3d0h n ILE 223 Ca -0.02 2.20 -0.12 0.00 1.00 0.00 0.00 62.75 65.81 3d0h n ILE 223 Cb 0.07 -2.95 -0.05 0.00 -0.71 0.00 0.00 39.64 36.00 3d0h n ILE 223 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3d0h h GLU 224 N 0.00 -0.45 0.00 0.38 4.81 -1.59 0.55 114.58 118.27 3d0h h GLU 224 Ca 0.37 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.63 3d0h h GLU 224 Cb 0.60 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3d0h h GLU 224 CO -0.95 -0.30 -0.04 -0.44 -0.73 0.00 0.00 179.01 176.55 3d0h h ASP 225 N -0.47 -0.10 0.08 1.04 5.19 -0.08 -1.31 116.42 120.76 3d0h h ASP 225 Ca 0.06 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.51 3d0h h ASP 225 Cb 0.55 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.05 3d0h h ASP 225 CO -0.25 -0.05 -0.39 0.58 -3.12 0.00 0.00 179.24 176.01 3d0h h VAL 226 N -0.07 0.19 -0.77 -1.35 2.07 -0.53 0.49 116.25 116.29 3d0h h VAL 226 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3d0h h VAL 226 Cb 0.08 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3d0h h VAL 226 CO -0.03 0.00 0.45 -0.33 0.02 0.00 0.00 177.57 177.68 3d0h h GLU 227 N -0.60 1.05 0.80 1.57 5.08 -0.90 0.12 114.58 121.71 3d0h h GLU 227 Ca 0.03 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3d0h h GLU 227 Cb 0.65 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3d0h h GLU 227 CO -0.26 0.75 -0.44 1.25 -1.00 0.00 0.00 179.01 179.31 3d0h h HIS 228 N 1.05 -1.16 -0.97 4.33 2.76 -0.79 -1.41 115.15 118.97 3d0h h HIS 228 Ca 0.27 -0.02 0.21 0.00 -2.20 0.00 0.00 60.37 58.63 3d0h h HIS 228 Cb -0.02 0.40 -0.11 0.00 1.55 0.00 0.00 27.41 29.22 3d0h h HIS 228 CO -0.01 -0.68 0.55 0.00 -1.30 0.00 0.00 177.93 176.50 3d0h h THR 229 N -1.15 0.62 -0.55 6.26 1.03 0.16 -0.62 112.91 118.67 3d0h h THR 229 Ca -0.11 -0.22 -0.05 0.00 -0.01 0.00 0.00 66.41 66.02 3d0h h THR 229 Cb 0.90 -0.07 -0.03 0.00 -1.07 0.00 0.00 68.15 67.88 3d0h h THR 229 CO 0.15 0.12 0.14 0.15 -0.01 0.00 0.00 175.52 176.06 3d0h h PHE 230 N 0.64 0.86 -0.73 0.00 3.57 -0.48 -2.47 116.94 118.32 3d0h h PHE 230 Ca 0.58 -0.08 0.10 0.00 3.53 0.00 0.00 57.97 62.11 3d0h h PHE 230 Cb 0.99 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.40 3d0h h PHE 230 CO -0.03 0.72 0.35 0.93 -2.23 0.00 0.00 178.31 178.05 3d0h h GLU 231 N 0.81 0.57 0.00 1.11 4.39 0.02 0.34 114.58 121.82 3d0h h GLU 231 Ca 0.18 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3d0h h GLU 231 Cb 0.28 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3d0h h GLU 231 CO -0.00 0.38 0.00 0.39 -1.16 0.00 0.00 179.01 178.61 3d0h n GLU 232 N -4.88 0.50 -0.08 2.33 1.02 -0.93 -2.01 120.64 116.58 3d0h n GLU 232 Ca 0.12 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.22 3d0h n GLU 232 Cb 0.30 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.07 3d0h n GLU 232 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3d0h n ILE 233 N -1.04 1.12 -0.38 -3.67 5.41 0.09 -4.60 119.36 116.30 3d0h n ILE 233 Ca 0.12 -0.77 -0.05 0.00 1.00 0.00 0.00 62.75 63.05 3d0h n ILE 233 Cb 0.07 -0.39 -0.01 0.00 -0.71 0.00 0.00 39.64 38.60 3d0h n ILE 233 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3d0h h LYS 234 N 0.00 -0.02 -0.43 0.38 1.79 -1.22 -0.86 116.57 116.20 3d0h h LYS 234 Ca -0.44 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.12 3d0h h LYS 234 Cb 2.00 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 32.56 3d0h h LYS 234 CO 0.02 -0.01 -0.22 -1.35 -1.08 0.00 0.00 179.45 176.81 3d0h h PRO 235 N -0.02 -0.13 -0.58 3.15 0.11 -1.81 0.24 132.00 132.96 3d0h h PRO 235 Ca 0.27 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 3d0h h PRO 235 Cb 0.53 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 3d0h h PRO 235 CO -0.94 -0.08 0.28 1.25 -0.21 0.00 0.00 178.00 178.30 3d0h h LEU 236 N -0.13 0.75 -0.84 2.35 5.85 -1.56 -2.91 115.31 118.82 3d0h h LEU 236 Ca 0.21 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3d0h h LEU 236 Cb 0.45 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3d0h h LEU 236 CO -0.51 0.66 -0.43 0.22 -0.34 0.00 0.00 178.44 178.04 3d0h h TYR 237 N 0.79 0.38 -0.50 1.25 3.20 -0.03 -2.46 116.97 119.60 3d0h h TYR 237 Ca 0.20 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3d0h h TYR 237 Cb 0.11 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3d0h h TYR 237 CO -0.00 0.70 0.13 0.93 -1.64 0.00 0.00 178.16 178.28 3d0h h GLU 238 N 0.26 0.74 0.04 1.82 5.08 -0.39 0.43 114.58 122.57 3d0h h GLU 238 Ca 0.02 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3d0h h GLU 238 Cb 0.87 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3d0h h GLU 238 CO 0.07 0.66 -0.02 0.45 -1.00 0.00 0.00 179.01 179.17 3d0h h HIS 239 N 0.72 -0.05 -0.84 4.33 3.86 -1.35 0.01 115.15 121.83 3d0h h HIS 239 Ca 0.16 -0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.54 3d0h h HIS 239 Cb 0.25 0.02 -0.16 0.00 1.06 0.00 0.00 27.41 28.58 3d0h h HIS 239 CO 0.01 0.49 -0.23 1.25 0.86 0.00 0.00 177.93 180.31 3d0h h LEU 240 N -0.64 -0.86 0.25 2.43 7.12 -1.20 0.16 115.31 122.57 3d0h h LEU 240 Ca -0.01 0.26 0.01 0.00 0.13 0.00 0.00 57.88 58.27 3d0h h LEU 240 Cb 0.57 0.55 -0.03 0.00 -0.53 0.00 0.00 40.66 41.21 3d0h h LEU 240 CO 0.01 -0.28 -0.41 -0.74 -0.13 0.00 0.00 178.44 176.89 3d0h h HIS 241 N -0.01 -1.12 -0.92 1.25 2.76 -0.79 0.36 115.15 116.67 3d0h h HIS 241 Ca 0.39 0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.76 3d0h h HIS 241 Cb 0.62 0.46 -0.10 0.00 1.55 0.00 0.00 27.41 29.93 3d0h h HIS 241 CO -0.68 -0.53 0.51 0.00 -1.30 0.00 0.00 177.93 175.93 3d0h h ALA 242 N -0.29 1.47 -0.00 5.26 0.00 0.11 0.26 119.26 126.07 3d0h h ALA 242 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3d0h h ALA 242 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3d0h h ALA 242 CO -0.16 -0.11 -0.03 -0.92 0.00 0.00 0.00 179.25 178.03 3d0h h TYR 243 N 0.65 0.03 0.00 0.00 3.20 -0.36 -2.63 116.97 117.87 3d0h h TYR 243 Ca 0.53 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.35 3d0h h TYR 243 Cb 0.82 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 3d0h h TYR 243 CO -0.06 0.81 -0.13 -0.39 -1.64 0.00 0.00 178.16 176.75 3d0h h VAL 244 N -0.75 0.63 0.52 1.81 -1.51 -0.53 -1.66 116.25 114.77 3d0h h VAL 244 Ca -0.00 -0.55 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 3d0h h VAL 244 Cb 0.82 1.34 0.01 0.00 -2.13 0.00 0.00 31.29 31.33 3d0h h VAL 244 CO 0.01 0.12 -0.25 -0.09 -1.23 0.00 0.00 177.57 176.13 3d0h h ARG 245 N 0.00 -0.67 -0.95 5.19 2.43 -0.38 0.14 114.38 120.14 3d0h h ARG 245 Ca -0.00 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.36 3d0h h ARG 245 Cb 0.33 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 29.89 3d0h h ARG 245 CO 0.02 -0.45 -0.39 0.00 -1.51 0.00 0.00 179.97 177.63 3d0h h ALA 246 N -1.63 0.09 -0.51 2.80 0.00 -1.31 0.42 119.26 119.12 3d0h h ALA 246 Ca -0.07 0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3d0h h ALA 246 Cb 0.54 1.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 3d0h h ALA 246 CO 0.12 -0.65 0.13 0.87 0.00 0.00 0.00 179.25 179.71 3d0h h LYS 247 N -0.02 0.27 0.00 0.00 1.79 -1.22 -0.57 116.57 116.82 3d0h h LYS 247 Ca 0.32 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.72 3d0h h LYS 247 Cb 0.58 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3d0h h LYS 247 CO -0.95 0.18 -0.25 -0.07 -1.08 0.00 0.00 179.45 177.28 3d0h h LEU 248 N 0.27 0.00 -1.28 2.94 3.38 0.24 -1.99 115.31 118.88 3d0h h LEU 248 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3d0h h LEU 248 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3d0h h LEU 248 CO -0.31 0.25 0.31 0.24 0.09 0.00 0.00 178.44 179.02 3d0h h MET 249 N 0.00 0.81 -0.16 1.13 2.86 0.13 0.29 114.93 119.99 3d0h h MET 249 Ca -0.00 -0.09 -0.21 0.00 -2.06 0.00 0.00 59.70 57.34 3d0h h MET 249 Cb 0.52 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.02 3d0h h MET 249 CO 0.03 0.60 -0.73 -0.91 1.06 0.00 0.00 176.91 176.97 3d0h h ASN 250 N 0.81 0.86 0.70 1.22 2.35 -1.14 -2.64 115.58 117.73 3d0h h ASN 250 Ca 0.21 -0.54 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 3d0h h ASN 250 Cb 0.04 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.16 3d0h h ASN 250 CO -0.03 1.33 -0.34 0.00 -1.65 0.00 0.00 177.43 176.74 3d0h h ALA 251 N 0.66 -0.94 -2.11 -0.83 0.00 -1.04 -3.34 119.26 111.67 3d0h h ALA 251 Ca -0.04 -0.21 -0.68 0.00 0.00 0.00 0.00 54.91 53.98 3d0h h ALA 251 Cb 1.34 0.36 -0.37 0.00 0.00 0.00 0.00 17.79 19.13 3d0h h ALA 251 CO 0.15 -1.02 -0.07 0.66 0.00 0.00 0.00 179.25 178.97 3d0h n TYR 252 N -5.49 3.15 -1.63 0.00 4.01 0.99 -5.05 117.16 113.14 3d0h n TYR 252 Ca -0.14 -3.58 -0.48 0.00 -0.16 0.00 0.00 57.90 53.55 3d0h n TYR 252 Cb 0.38 -0.83 -0.04 0.00 -0.31 0.00 0.00 39.34 38.54 3d0h n TYR 252 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3d0h n PRO 253 N 1.06 1.69 0.00 -0.72 -0.02 -1.00 -1.86 135.00 134.15 3d0h n PRO 253 Ca 0.28 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3d0h n PRO 253 Cb 0.38 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3d0h n PRO 253 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3d0h n SER 254 N 2.68 0.00 0.01 2.55 3.41 -1.26 -4.85 113.62 116.15 3d0h n SER 254 Ca 0.16 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.91 3d0h n SER 254 Cb 0.26 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.76 3d0h n SER 254 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3d0h n TYR 255 N -1.93 0.06 -4.61 7.33 4.02 -0.78 -4.89 117.16 116.37 3d0h n TYR 255 Ca 0.00 0.02 -0.30 0.00 -0.01 0.00 0.00 57.90 57.61 3d0h n TYR 255 Cb 0.00 -0.49 -0.13 0.00 -0.02 0.00 0.00 39.34 38.69 3d0h n TYR 255 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3d0h s ILE 256 N -3.01 2.35 -0.22 -0.72 1.01 -1.26 -4.90 121.20 114.44 3d0h s ILE 256 Ca 0.13 -1.52 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 3d0h s ILE 256 Cb 0.18 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3d0h s ILE 256 CO 0.56 0.23 0.36 -0.55 0.00 0.00 0.00 174.94 175.54 3d0h s SER 257 N -1.68 6.36 0.60 3.58 0.15 -1.26 -4.94 113.70 116.50 3d0h s SER 257 Ca 0.14 0.41 0.28 0.00 0.70 0.00 0.00 55.95 57.48 3d0h s SER 257 Cb -0.10 -2.21 1.24 0.00 -1.71 0.00 0.00 66.02 63.24 3d0h s SER 257 CO 0.05 -0.09 1.63 -0.65 1.20 0.00 0.00 173.24 175.38 3d0h h PRO 258 N 7.57 0.00 -0.00 5.44 0.11 -1.98 0.40 132.00 143.54 3d0h h PRO 258 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3d0h h PRO 258 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3d0h h PRO 258 CO 0.69 0.00 -0.14 0.44 -0.21 0.00 0.00 178.00 178.78 3d0h n ILE 259 N -3.47 0.00 -3.16 4.15 -5.35 -1.26 -4.41 119.36 105.86 3d0h n ILE 259 Ca 0.15 -0.43 -0.21 0.00 -0.27 0.00 0.00 62.75 61.99 3d0h n ILE 259 Cb 1.06 1.03 0.01 0.00 -1.74 0.00 0.00 39.64 40.00 3d0h n ILE 259 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3d0h s GLY 260 N -1.10 1.58 1.08 3.28 0.00 0.14 -0.89 107.32 111.41 3d0h s GLY 260 Ca 0.03 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 3d0h s GLY 260 CO 0.14 -1.07 1.06 0.00 0.00 0.00 0.00 173.10 173.23 3d0h s LEU 262 N -6.92 4.44 -0.07 0.00 1.43 -0.59 -4.68 118.68 112.29 3d0h s LEU 262 Ca 0.67 1.24 -0.30 0.00 -1.03 0.00 0.00 54.13 54.72 3d0h s LEU 262 Cb -0.23 -2.99 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 3d0h s LEU 262 CO 0.62 0.11 1.72 -2.84 0.23 0.00 0.00 176.35 176.19 3d0h s PRO 263 N -0.30 4.08 0.49 1.29 0.02 -1.26 -0.60 135.00 138.73 3d0h s PRO 263 Ca 0.32 2.18 0.32 0.00 0.02 0.00 0.00 61.00 63.85 3d0h s PRO 263 Cb -0.19 -4.04 1.43 0.00 0.02 0.00 0.00 34.50 31.73 3d0h s PRO 263 CO 0.19 -0.97 1.76 0.00 -0.33 0.00 0.00 177.00 177.64 3d0h h ALA 264 N 10.08 2.91 -0.00 -1.55 0.00 -1.56 0.34 119.26 129.48 3d0h h ALA 264 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3d0h h ALA 264 Cb 1.19 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3d0h h ALA 264 CO 0.96 -1.32 -0.01 -2.39 0.00 0.00 0.00 179.25 176.49 3d0h n HIS 265 N -4.34 0.00 -1.18 0.00 1.44 -1.26 -3.64 115.22 106.24 3d0h n HIS 265 Ca 0.28 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.91 3d0h n HIS 265 Cb 1.24 -0.34 0.24 0.00 0.12 0.00 0.00 29.99 31.25 3d0h n HIS 265 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3d0h n LEU 266 N -1.33 5.54 -1.20 2.39 4.77 0.12 -4.67 117.00 122.62 3d0h n LEU 266 Ca 0.12 -3.43 0.09 0.00 -0.03 0.00 0.00 56.01 52.77 3d0h n LEU 266 Cb 0.27 -0.72 0.28 0.00 -2.33 0.00 0.00 43.42 40.92 3d0h n LEU 266 CO 0.24 0.96 0.74 0.18 -1.33 0.00 0.00 177.39 178.19 3d0h n LEU 267 N -0.68 3.93 0.00 2.23 4.77 -1.24 -4.98 117.00 121.04 3d0h n LEU 267 Ca 0.42 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 3d0h n LEU 267 Cb 1.32 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3d0h n LEU 267 CO 0.39 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 3d0h n GLY 268 N 1.01 2.35 2.87 -0.72 0.00 -1.25 -4.38 105.19 105.07 3d0h n GLY 268 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 3d0h n GLY 268 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d0h n ASP 269 N 0.00 -1.03 0.12 1.61 3.85 -1.22 -3.64 116.55 116.25 3d0h n ASP 269 Ca 0.00 -2.70 0.10 0.00 -0.71 0.00 0.00 54.79 51.48 3d0h n ASP 269 Cb 0.00 2.00 0.48 0.00 -1.35 0.00 0.00 41.12 42.24 3d0h n ASP 269 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99 3d0h n MET 270 N -0.51 0.14 0.00 0.11 0.00 -1.26 -3.55 117.12 112.05 3d0h n MET 270 Ca 0.02 0.50 0.00 0.00 -0.00 0.00 0.00 57.70 58.23 3d0h n MET 270 Cb 0.51 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 31.88 3d0h n MET 270 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3d0h n TRP 271 N -2.13 0.00 -0.30 1.12 8.01 -1.26 -4.97 117.44 117.91 3d0h n TRP 271 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 3d0h n TRP 271 Cb 0.13 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.43 3d0h n TRP 271 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3d0h n GLY 272 N 0.98 0.82 0.36 6.99 0.00 -1.23 -4.95 105.19 108.15 3d0h n GLY 272 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.76 3d0h n GLY 272 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d0h h ARG 273 N 0.03 0.79 -4.44 1.61 2.43 -1.89 -3.39 114.38 109.51 3d0h h ARG 273 Ca 0.00 -0.05 -0.46 0.00 -0.81 0.00 0.00 59.98 58.67 3d0h h ARG 273 Cb 0.00 -0.18 -0.33 0.00 -0.42 0.00 0.00 29.97 29.05 3d0h h ARG 273 CO 0.00 0.52 -0.79 -0.06 -1.51 0.00 0.00 179.97 178.13 3d0h s PHE 274 N -5.73 1.09 -2.04 2.20 0.40 -1.26 -3.87 117.98 108.77 3d0h s PHE 274 Ca -0.10 -0.34 0.10 0.00 -0.60 0.00 0.00 56.93 55.99 3d0h s PHE 274 Cb 0.20 -0.82 0.45 0.00 0.51 0.00 0.00 43.02 43.35 3d0h s PHE 274 CO 0.78 -0.19 1.31 0.91 0.70 0.00 0.00 175.22 178.73 3d0h n TRP 275 N 3.67 0.14 -0.33 0.36 7.02 -0.68 -4.39 117.44 123.23 3d0h n TRP 275 Ca -0.22 -0.07 0.24 0.00 -1.02 0.00 0.00 57.50 56.43 3d0h n TRP 275 Cb 0.52 0.00 0.46 0.00 -2.42 0.00 0.00 31.31 29.87 3d0h n TRP 275 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3d0h h THR 276 N 0.81 0.09 0.00 -0.99 2.02 -1.83 0.15 112.91 113.16 3d0h h THR 276 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3d0h h THR 276 Cb 0.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3d0h h THR 276 CO 0.00 0.01 0.00 0.59 0.37 0.00 0.00 175.52 176.49 3d0h n ASN 277 N -5.29 0.00 0.24 4.18 5.03 -1.26 -2.32 115.26 115.84 3d0h n ASN 277 Ca 0.31 -0.25 0.16 0.00 0.87 0.00 0.00 54.58 55.67 3d0h n ASN 277 Cb 1.04 -0.24 0.61 0.00 -1.02 0.00 0.00 39.78 40.17 3d0h n ASN 277 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3d0h h LEU 278 N 0.00 0.00 -0.58 3.41 3.38 -0.97 -3.32 115.31 117.24 3d0h h LEU 278 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3d0h h LEU 278 Cb 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 3d0h h LEU 278 CO 0.00 0.00 -0.22 0.22 0.09 0.00 0.00 178.44 178.53 3d0h h TYR 279 N 0.00 -0.53 -0.46 1.13 3.20 -1.61 0.41 116.97 119.11 3d0h h TYR 279 Ca 0.00 0.06 0.13 0.00 3.14 0.00 0.00 58.73 62.06 3d0h h TYR 279 Cb 0.51 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3d0h h TYR 279 CO 0.00 -0.31 0.33 0.66 -1.64 0.00 0.00 178.16 177.20 3d0h h SER 280 N -0.07 0.01 -0.21 -2.11 4.64 -1.84 0.14 113.55 114.10 3d0h h SER 280 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3d0h h SER 280 Cb 0.49 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3d0h h SER 280 CO -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.33 3d0h n LEU 281 N -4.40 2.52 0.00 5.97 -0.00 -0.29 -4.44 117.00 116.36 3d0h n LEU 281 Ca 0.08 -1.91 0.00 0.00 -0.00 0.00 0.00 56.01 54.18 3d0h n LEU 281 Cb 0.53 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 3d0h n LEU 281 CO 0.36 0.62 0.43 0.35 -0.00 0.00 0.00 177.39 179.16 3d0h n THR 282 N 0.19 0.74 -1.69 1.47 -2.24 -0.02 -4.76 114.28 107.97 3d0h n THR 282 Ca 0.07 -0.76 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 3d0h n THR 282 Cb 0.35 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 3d0h n THR 282 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3d0h n VAL 283 N -0.37 0.35 -0.03 2.28 3.14 0.32 -4.91 118.33 119.11 3d0h n VAL 283 Ca 0.00 -0.06 -0.09 0.00 -2.96 0.00 0.00 64.34 61.23 3d0h n VAL 283 Cb 0.29 -2.09 -0.03 0.00 -1.06 0.00 0.00 33.84 30.95 3d0h n VAL 283 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3d0h h PRO 284 N 8.41 0.04 -2.82 1.45 0.11 -1.92 -3.38 132.00 133.90 3d0h h PRO 284 Ca -0.46 -0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.04 3d0h h PRO 284 Cb 1.22 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 3d0h h PRO 284 CO 0.95 0.02 -0.75 -0.06 -0.21 0.00 0.00 178.00 177.96 3d0h s PHE 285 N -6.19 2.40 0.54 0.65 0.40 -1.26 -4.96 117.98 109.55 3d0h s PHE 285 Ca -0.13 -2.82 0.28 0.00 -0.60 0.00 0.00 56.93 53.66 3d0h s PHE 285 Cb 0.09 -1.93 1.44 0.00 0.51 0.00 0.00 43.02 43.13 3d0h s PHE 285 CO 0.68 -0.69 1.96 0.78 0.70 0.00 0.00 175.22 178.65 3d0h h GLY 286 N 5.74 0.00 2.00 4.36 0.00 -1.99 -1.40 103.07 111.78 3d0h h GLY 286 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3d0h h GLY 286 CO 0.55 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.55 3d0h h GLN 287 N 0.00 0.00 -7.31 4.80 1.08 -1.97 -3.45 115.11 108.27 3d0h h GLN 287 Ca 0.31 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 57.04 3d0h h GLN 287 Cb 1.25 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 28.85 3d0h h GLN 287 CO -0.00 0.00 0.18 0.15 -0.95 0.00 0.00 178.83 178.21 3d0h s LYS 288 N -3.47 0.50 -1.27 1.46 3.01 -0.53 -4.93 119.74 114.52 3d0h s LYS 288 Ca 0.03 0.74 -0.08 0.00 -1.01 0.00 0.00 55.97 55.66 3d0h s LYS 288 Cb 0.09 -1.73 0.17 0.00 -1.01 0.00 0.00 37.83 35.35 3d0h s LYS 288 CO 0.52 -2.74 1.98 -0.35 0.51 0.00 0.00 175.35 175.28 3d0h n PRO 289 N -4.21 4.02 -0.59 -1.68 -0.05 -1.26 -4.96 135.00 126.26 3d0h n PRO 289 Ca 0.06 -3.63 0.00 0.00 -0.05 0.00 0.00 63.50 59.88 3d0h n PRO 289 Cb 0.56 -2.79 0.00 0.00 -0.05 0.00 0.00 33.50 31.21 3d0h n PRO 289 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 3d0h n ASN 290 N 2.93 0.00 0.01 3.54 4.05 -1.26 -4.87 115.26 119.66 3d0h n ASN 290 Ca 0.45 0.37 0.14 0.00 0.45 0.00 0.00 54.58 55.98 3d0h n ASN 290 Cb 0.32 -0.55 0.58 0.00 1.23 0.00 0.00 39.78 41.37 3d0h n ASN 290 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 3d0h n ILE 291 N 1.08 0.05 -2.66 -1.44 2.08 -1.26 -4.44 119.36 112.76 3d0h n ILE 291 Ca 0.00 -0.03 -0.42 0.00 0.56 0.00 0.00 62.75 62.86 3d0h n ILE 291 Cb 0.00 -0.47 -0.02 0.00 -0.75 0.00 0.00 39.64 38.40 3d0h n ILE 291 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3d0h s ASP 292 N -3.13 6.62 0.00 4.38 3.68 -1.26 -4.80 116.67 122.16 3d0h s ASP 292 Ca 0.14 -1.85 0.00 0.00 2.13 0.00 0.00 52.55 52.97 3d0h s ASP 292 Cb 0.18 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.13 3d0h s ASP 292 CO 0.55 -1.31 0.41 1.33 0.13 0.00 0.00 175.17 176.28 3d0h n VAL 293 N 6.38 0.00 -0.12 1.11 0.24 -1.26 -3.90 118.33 120.77 3d0h n VAL 293 Ca 0.34 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.60 3d0h n VAL 293 Cb 0.49 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.62 3d0h n VAL 293 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3d0h h THR 294 N 0.00 0.58 -0.24 3.34 2.02 -1.91 -0.65 112.91 116.05 3d0h h THR 294 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3d0h h THR 294 Cb 0.05 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3d0h h THR 294 CO 0.00 0.00 -0.08 0.44 0.37 0.00 0.00 175.52 176.25 3d0h h ASP 295 N -0.01 0.49 -1.03 4.18 3.32 -1.91 -2.21 116.42 119.25 3d0h h ASP 295 Ca 0.20 -0.39 0.26 0.00 0.02 0.00 0.00 57.03 57.12 3d0h h ASP 295 Cb 0.31 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 39.62 3d0h h ASP 295 CO -0.43 0.77 0.64 0.00 -1.72 0.00 0.00 179.24 178.50 3d0h h ALA 296 N 0.74 2.03 -0.35 3.45 0.00 -1.66 0.82 119.26 124.29 3d0h h ALA 296 Ca 0.06 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3d0h h ALA 296 Cb 0.56 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3d0h h ALA 296 CO 0.03 -0.47 -0.31 0.52 0.00 0.00 0.00 179.25 179.02 3d0h h MET 297 N 0.48 0.83 -0.34 0.00 2.86 -0.73 -2.46 114.93 115.57 3d0h h MET 297 Ca 0.62 -0.42 -0.13 0.00 -2.06 0.00 0.00 59.70 57.71 3d0h h MET 297 Cb 1.39 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 3d0h h MET 297 CO -0.38 1.06 -0.29 0.28 1.06 0.00 0.00 176.91 178.64 3d0h h VAL 298 N 0.61 1.29 0.00 -2.22 2.07 0.17 -2.33 116.25 115.84 3d0h h VAL 298 Ca 0.06 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3d0h h VAL 298 Cb 0.89 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3d0h h VAL 298 CO 0.08 0.48 0.00 0.47 0.02 0.00 0.00 177.57 178.61 3d0h n ASP 299 N -4.21 0.00 -0.39 0.57 8.00 0.24 -2.49 116.55 118.28 3d0h n ASP 299 Ca -0.03 0.47 0.05 0.00 0.71 0.00 0.00 54.79 55.99 3d0h n ASP 299 Cb 0.48 -0.48 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 3d0h n ASP 299 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d0h n GLN 300 N -1.48 2.73 -2.44 -1.24 6.02 -0.93 -4.99 117.38 115.04 3d0h n GLN 300 Ca 0.04 -2.04 -0.21 0.00 -0.01 0.00 0.00 57.00 54.78 3d0h n GLN 300 Cb 0.18 -1.29 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 3d0h n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3d0h n ALA 301 N -0.23 -0.65 -1.82 -1.58 0.00 -1.04 -4.94 120.51 110.25 3d0h n ALA 301 Ca 0.10 0.17 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 3d0h n ALA 301 Cb 0.46 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 3d0h n ALA 301 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3d0h s TRP 302 N -3.03 2.91 0.51 0.00 0.52 -0.91 -5.03 118.94 113.92 3d0h s TRP 302 Ca 0.02 1.11 0.05 0.00 0.02 0.00 0.00 56.10 57.29 3d0h s TRP 302 Cb -0.01 -3.86 0.01 0.00 -1.15 0.00 0.00 33.47 28.46 3d0h s TRP 302 CO 0.02 -2.67 0.28 0.16 0.02 0.00 0.00 176.95 174.76 3d0h s ASP 303 N 0.10 4.50 0.22 2.95 1.47 -1.26 -4.92 116.67 119.73 3d0h s ASP 303 Ca 0.56 -1.30 -0.08 0.00 1.18 0.00 0.00 52.55 52.91 3d0h s ASP 303 Cb -0.43 0.26 0.17 0.00 -0.34 0.00 0.00 42.92 42.58 3d0h s ASP 303 CO 0.50 -0.94 1.82 0.00 0.68 0.00 0.00 175.17 177.23 3d0h h ALA 304 N 1.00 1.04 -0.20 2.11 0.00 -1.90 -2.27 119.26 119.03 3d0h h ALA 304 Ca -0.40 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.43 3d0h h ALA 304 Cb 1.30 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 3d0h h ALA 304 CO 0.63 0.57 -0.35 1.96 0.00 0.00 0.00 179.25 182.07 3d0h h GLN 305 N 1.14 -0.37 -0.73 0.00 1.08 -1.96 -1.78 115.11 112.49 3d0h h GLN 305 Ca 0.28 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.60 3d0h h GLN 305 Cb 0.07 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.51 3d0h h GLN 305 CO -0.04 -0.24 0.38 -0.09 -0.95 0.00 0.00 178.83 177.88 3d0h h ARG 306 N -0.38 0.62 -0.39 1.46 9.65 -1.85 0.64 114.38 124.13 3d0h h ARG 306 Ca 0.11 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.98 3d0h h ARG 306 Cb 0.56 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 3d0h h ARG 306 CO -0.41 0.41 0.19 0.82 2.80 0.00 0.00 179.97 183.77 3d0h h ILE 307 N 0.63 0.97 0.08 1.20 1.08 -0.87 0.45 117.51 121.06 3d0h h ILE 307 Ca 0.36 -0.13 -0.17 0.00 -0.39 0.00 0.00 64.86 64.53 3d0h h ILE 307 Cb 0.37 0.55 0.02 0.00 -3.07 0.00 0.00 36.82 34.69 3d0h h ILE 307 CO -0.27 0.07 -0.71 -0.26 -0.69 0.00 0.00 178.15 176.29 3d0h h PHE 308 N 0.38 0.55 -0.16 1.37 0.04 -0.92 -2.22 116.94 115.99 3d0h h PHE 308 Ca 0.17 -0.36 0.04 0.00 2.80 0.00 0.00 57.97 60.61 3d0h h PHE 308 Cb 0.08 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3d0h h PHE 308 CO -0.11 1.24 0.11 -0.22 -0.60 0.00 0.00 178.31 178.73 3d0h h LYS 309 N -0.29 0.05 -0.15 1.51 1.63 -0.90 -0.99 116.57 117.43 3d0h h LYS 309 Ca -0.11 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 3d0h h LYS 309 Cb 1.50 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.11 3d0h h LYS 309 CO 0.14 0.03 -0.00 1.49 -3.45 0.00 0.00 179.45 177.66 3d0h h GLU 310 N 0.05 0.26 -0.45 1.90 4.57 -0.80 -2.60 114.58 117.50 3d0h h GLU 310 Ca 0.07 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 3d0h h GLU 310 Cb 0.23 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3d0h h GLU 310 CO -0.01 0.49 -0.08 0.00 -1.18 0.00 0.00 179.01 178.23 3d0h h ALA 311 N 0.76 1.00 -0.22 2.92 0.00 -0.70 -2.96 119.26 120.06 3d0h h ALA 311 Ca 0.04 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3d0h h ALA 311 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3d0h h ALA 311 CO 0.01 0.60 -0.05 1.49 0.00 0.00 0.00 179.25 181.30 3d0h h GLU 312 N 0.73 0.00 -1.00 0.00 4.81 -1.20 -1.56 114.58 116.36 3d0h h GLU 312 Ca 0.13 -0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.51 3d0h h GLU 312 Cb 0.57 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.85 3d0h h GLU 312 CO 0.03 0.00 0.62 -0.22 -0.73 0.00 0.00 179.01 178.72 3d0h h LYS 313 N 0.00 0.85 0.60 1.92 3.64 -1.34 0.51 116.57 122.75 3d0h h LYS 313 Ca 0.11 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3d0h h LYS 313 Cb 0.16 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3d0h h LYS 313 CO -0.22 0.56 -0.50 0.35 -2.27 0.00 0.00 179.45 177.37 3d0h h PHE 314 N 0.87 -1.37 -0.81 1.91 3.57 -1.15 0.56 116.94 120.52 3d0h h PHE 314 Ca 0.54 0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.10 3d0h h PHE 314 Cb 0.71 0.52 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 3d0h h PHE 314 CO -0.00 -0.69 0.49 0.74 -2.23 0.00 0.00 178.31 176.61 3d0h h PHE 315 N -1.07 0.91 -0.66 0.41 0.04 -0.80 -0.33 116.94 115.44 3d0h h PHE 315 Ca -0.08 0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.84 3d0h h PHE 315 Cb 0.91 -0.29 -0.08 0.00 2.20 0.00 0.00 35.95 38.68 3d0h h PHE 315 CO -0.21 0.46 0.22 0.28 -0.60 0.00 0.00 178.31 178.46 3d0h h VAL 316 N 0.90 0.69 -0.50 -0.55 2.07 -0.43 -1.57 116.25 116.87 3d0h h VAL 316 Ca 0.35 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.79 3d0h h VAL 316 Cb 0.17 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3d0h h VAL 316 CO -0.17 0.07 0.33 0.77 0.02 0.00 0.00 177.57 178.59 3d0h h SER 317 N 0.38 0.44 0.90 0.57 4.64 0.90 -0.30 113.55 121.07 3d0h h SER 317 Ca 0.35 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3d0h h SER 317 Cb 0.49 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3d0h h SER 317 CO -0.37 0.30 -0.22 1.33 -0.87 0.00 0.00 176.83 177.00 3d0h n VAL 318 N -4.47 0.12 0.00 0.95 0.24 -0.65 -3.75 118.33 110.77 3d0h n VAL 318 Ca 0.06 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3d0h n VAL 318 Cb 0.19 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3d0h n VAL 318 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d0h n GLY 319 N 1.45 0.69 3.90 7.63 0.00 -0.12 -3.46 105.19 115.28 3d0h n GLY 319 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3d0h n GLY 319 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d0h s LEU 320 N 0.00 3.00 0.55 0.99 1.43 -0.82 -4.98 118.68 118.85 3d0h s LEU 320 Ca 0.00 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 53.89 3d0h s LEU 320 Cb 0.00 -3.73 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 3d0h s LEU 320 CO 0.00 -1.28 1.00 -2.16 0.23 0.00 0.00 176.35 174.14 3d0h s PRO 321 N -5.24 3.81 1.08 1.29 0.04 -1.26 -3.80 135.00 130.92 3d0h s PRO 321 Ca 0.57 0.90 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 3d0h s PRO 321 Cb -0.11 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.37 3d0h s PRO 321 CO 0.49 -0.39 -0.27 0.09 0.04 0.00 0.00 177.00 176.96 3d0h n ASN 322 N -1.97 -2.57 -4.76 6.66 3.02 -1.26 -4.65 115.26 109.72 3d0h n ASN 322 Ca 0.06 -0.14 -0.39 0.00 -0.03 0.00 0.00 54.58 54.08 3d0h n ASN 322 Cb 0.54 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 3d0h n ASN 322 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3d0h s MET 323 N -3.16 4.71 0.00 3.52 -1.94 -1.26 -4.99 119.30 116.18 3d0h s MET 323 Ca 0.49 1.53 -0.36 0.00 -1.71 0.00 0.00 55.69 55.64 3d0h s MET 323 Cb -0.06 -3.11 -0.14 0.00 2.01 0.00 0.00 34.83 33.53 3d0h s MET 323 CO 0.61 0.36 1.63 0.25 -0.01 0.00 0.00 175.02 177.86 3d0h n THR 324 N 1.12 0.20 -0.34 2.05 -2.24 -1.26 -4.84 114.28 108.97 3d0h n THR 324 Ca -0.01 -0.04 0.33 0.00 -2.27 0.00 0.00 64.05 62.07 3d0h n THR 324 Cb 0.47 -1.39 0.59 0.00 -2.10 0.00 0.00 70.33 67.90 3d0h n THR 324 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3d0h n GLN 325 N 4.36 -0.05 -0.29 -0.78 7.27 -1.26 0.32 117.38 126.94 3d0h n GLN 325 Ca 0.20 1.31 0.11 0.00 0.07 0.00 0.00 57.00 58.69 3d0h n GLN 325 Cb 0.24 -2.39 0.26 0.00 2.41 0.00 0.00 30.24 30.76 3d0h n GLN 325 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3d0h h GLY 326 N 0.00 1.32 0.21 1.69 0.00 -1.91 -1.12 103.07 103.26 3d0h h GLY 326 Ca 0.83 -0.09 0.10 0.00 0.00 0.00 0.00 47.33 48.17 3d0h h GLY 326 CO -0.68 -0.27 0.05 -2.75 0.00 0.00 0.00 176.54 172.89 3d0h h PHE 327 N 0.31 0.05 -0.00 5.60 3.04 0.50 -0.49 116.94 125.95 3d0h h PHE 327 Ca 0.51 0.04 -0.14 0.00 3.98 0.00 0.00 57.97 62.36 3d0h h PHE 327 Cb 0.96 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.51 3d0h h PHE 327 CO -0.21 -0.08 -0.65 -1.49 -2.02 0.00 0.00 178.31 173.86 3d0h h TRP 328 N 0.17 0.02 0.00 0.41 4.06 -1.19 -1.36 115.95 118.06 3d0h h TRP 328 Ca 0.26 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.18 3d0h h TRP 328 Cb 0.39 -0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3d0h h TRP 328 CO -0.28 0.66 -0.26 0.93 -3.56 0.00 0.00 178.44 175.92 3d0h h GLU 329 N 0.01 0.00 0.00 0.49 5.08 -0.91 -3.40 114.58 115.85 3d0h h GLU 329 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3d0h h GLU 329 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3d0h h GLU 329 CO 0.09 0.09 -1.38 0.09 -1.00 0.00 0.00 179.01 176.89 3d0h n ASN 330 N -3.05 3.36 -4.77 1.42 3.02 -0.23 -5.04 115.26 109.97 3d0h n ASN 330 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.24 3d0h n ASN 330 Cb 0.57 1.05 0.03 0.00 -0.61 0.00 0.00 39.78 40.83 3d0h n ASN 330 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3d0h s SER 331 N -3.24 5.29 -0.34 6.41 0.01 -0.53 -4.92 113.70 116.39 3d0h s SER 331 Ca -0.03 2.07 -0.05 0.00 1.31 0.00 0.00 55.95 59.25 3d0h s SER 331 Cb 0.03 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.75 3d0h s SER 331 CO 0.29 -1.51 0.10 -0.32 0.41 0.00 0.00 173.24 172.21 3d0h s MET 332 N -3.81 2.52 -0.01 12.44 1.75 0.06 -4.94 119.30 127.30 3d0h s MET 332 Ca 0.69 -1.28 0.18 0.00 -1.25 0.00 0.00 55.69 54.03 3d0h s MET 332 Cb -0.22 -3.42 -0.23 0.00 2.84 0.00 0.00 34.83 33.80 3d0h s MET 332 CO 0.37 -0.71 0.59 1.28 -0.65 0.00 0.00 175.02 175.89 3d0h n LEU 333 N 4.75 0.45 -3.76 4.11 7.99 -1.25 -0.39 117.00 128.90 3d0h n LEU 333 Ca -0.12 -0.28 -0.16 0.00 -0.01 0.00 0.00 56.01 55.45 3d0h n LEU 333 Cb 0.44 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.59 3d0h n LEU 333 CO 0.31 0.11 -0.35 0.42 -1.51 0.00 0.00 177.39 176.37 3d0h s THR 334 N -2.92 -0.02 -0.36 -5.08 -4.23 -1.22 -1.82 115.64 100.01 3d0h s THR 334 Ca 0.01 0.23 -0.33 0.00 -1.18 0.00 0.00 61.69 60.41 3d0h s THR 334 Cb 0.12 -0.13 -0.14 0.00 1.34 0.00 0.00 72.50 73.69 3d0h s THR 334 CO 0.73 0.11 1.15 -0.67 -0.54 0.00 0.00 174.62 175.40 3d0h n ASP 335 N 4.35 0.85 0.00 3.99 4.64 -1.26 -4.76 116.55 124.37 3d0h n ASP 335 Ca -0.24 0.83 0.01 0.00 -1.38 0.00 0.00 54.79 54.02 3d0h n ASP 335 Cb 0.50 -0.63 0.08 0.00 -1.04 0.00 0.00 41.12 40.04 3d0h n ASP 335 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3d0h n PRO 336 N 2.92 0.09 0.00 -0.67 -0.02 -1.26 -4.95 135.00 131.12 3d0h n PRO 336 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3d0h n PRO 336 Cb -0.04 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3d0h n PRO 336 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d0h n GLY 337 N -0.80 -0.23 0.00 -1.23 0.00 -1.26 -4.74 105.19 96.93 3d0h n GLY 337 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3d0h n GLY 337 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d0h n ASN 338 N 1.56 0.00 0.00 1.61 6.94 -1.26 -4.50 115.26 119.61 3d0h n ASN 338 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3d0h n ASN 338 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3d0h n ASN 338 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3d0h n VAL 339 N -0.10 0.00 -3.16 3.53 0.31 -1.26 -4.40 118.33 113.24 3d0h n VAL 339 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 3d0h n VAL 339 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3d0h n VAL 339 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3d0h s GLN 340 N 0.00 3.12 0.20 5.55 0.74 -1.26 -5.06 119.66 122.95 3d0h s GLN 340 Ca 0.00 -1.53 -0.05 0.00 0.05 0.00 0.00 55.36 53.83 3d0h s GLN 340 Cb 0.00 -4.33 -0.06 0.00 1.10 0.00 0.00 33.01 29.73 3d0h s GLN 340 CO 0.00 -1.49 0.45 0.15 -0.55 0.00 0.00 175.29 173.84 3d0h s LYS 341 N 2.24 3.64 0.09 1.67 1.02 -1.26 -4.58 119.74 122.56 3d0h s LYS 341 Ca 0.12 -0.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.93 3d0h s LYS 341 Cb -0.23 -2.77 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 3d0h s LYS 341 CO 0.03 0.38 0.34 0.00 -0.92 0.00 0.00 175.35 175.18 3d0h s ALA 342 N -1.81 -0.74 0.29 5.17 0.00 -1.26 -1.10 121.76 122.32 3d0h s ALA 342 Ca 0.42 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 3d0h s ALA 342 Cb -0.11 0.53 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 3d0h s ALA 342 CO 0.26 -0.55 0.98 0.14 0.00 0.00 0.00 175.76 176.59 3d0h s VAL 343 N -3.41 4.00 -0.08 0.00 -7.23 -0.93 -5.01 120.40 107.75 3d0h s VAL 343 Ca 0.01 1.84 0.21 0.00 -1.81 0.00 0.00 61.98 62.22 3d0h s VAL 343 Cb 0.02 -4.10 -0.31 0.00 0.56 0.00 0.00 36.38 32.55 3d0h s VAL 343 CO -0.09 0.30 0.38 0.00 -0.31 0.00 0.00 175.10 175.38 3d0h n HIS 345 N -2.40 1.23 -2.03 0.00 8.25 -1.26 -4.04 115.22 114.96 3d0h n HIS 345 Ca -0.12 0.99 -0.43 0.00 -0.26 0.00 0.00 57.72 57.90 3d0h n HIS 345 Cb 0.73 -1.92 -0.03 0.00 1.12 0.00 0.00 29.99 29.89 3d0h n HIS 345 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3d0h s PRO 346 N 1.78 3.95 0.07 -0.41 0.02 -1.26 -4.76 135.00 134.39 3d0h s PRO 346 Ca 0.88 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.89 3d0h s PRO 346 Cb -1.25 -4.03 -0.03 0.00 0.02 0.00 0.00 34.50 29.20 3d0h s PRO 346 CO 0.65 -1.12 -0.11 0.95 -0.33 0.00 0.00 177.00 177.04 3d0h s THR 347 N 4.81 0.89 -0.34 0.99 -4.23 -0.42 -5.00 115.64 112.34 3d0h s THR 347 Ca 0.74 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 3d0h s THR 347 Cb -0.30 -1.07 0.08 0.00 1.34 0.00 0.00 72.50 72.55 3d0h s THR 347 CO 0.30 -0.40 0.06 0.00 -0.54 0.00 0.00 174.62 174.04 3d0h s ALA 348 N -1.79 2.92 -0.15 3.99 0.00 -1.26 -0.97 121.76 124.50 3d0h s ALA 348 Ca -0.01 -2.11 -0.17 0.00 0.00 0.00 0.00 51.96 49.67 3d0h s ALA 348 Cb -0.07 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 3d0h s ALA 348 CO 0.01 -1.49 0.44 -1.58 0.00 0.00 0.00 175.76 173.13 3d0h s TRP 349 N 1.16 3.46 -0.70 0.00 0.52 0.14 -4.85 118.94 118.68 3d0h s TRP 349 Ca 0.01 0.78 0.05 0.00 0.02 0.00 0.00 56.10 56.95 3d0h s TRP 349 Cb -0.21 -2.53 0.26 0.00 -1.15 0.00 0.00 33.47 29.85 3d0h s TRP 349 CO -0.03 0.12 0.86 -3.47 0.02 0.00 0.00 176.95 174.44 3d0h n ASP 350 N 3.93 4.16 -0.04 2.95 4.64 -1.26 -2.77 116.55 128.17 3d0h n ASP 350 Ca -0.08 -3.45 0.08 0.00 -1.38 0.00 0.00 54.79 49.96 3d0h n ASP 350 Cb 0.51 -0.75 0.46 0.00 -1.04 0.00 0.00 41.12 40.31 3d0h n ASP 350 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3d0h h LEU 351 N 4.31 0.42 0.00 -2.67 4.07 -1.88 -3.48 115.31 116.07 3d0h h LEU 351 Ca 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 3d0h h LEU 351 Cb 0.65 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.30 3d0h h LEU 351 CO 0.91 0.28 0.00 0.61 -1.08 0.00 0.00 178.44 179.16 3d0h n GLY 352 N -1.50 0.44 4.32 0.83 0.00 -1.24 -4.22 105.19 103.82 3d0h n GLY 352 Ca 0.07 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 3d0h n GLY 352 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d0h n LYS 353 N -0.30 -1.47 -3.64 1.61 5.02 -1.26 0.81 118.16 118.93 3d0h n LYS 353 Ca 0.00 0.18 -0.26 0.00 -2.02 0.00 0.00 58.31 56.21 3d0h n LYS 353 Cb 0.00 -4.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.78 3d0h n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d0h n GLY 354 N -1.95 -0.46 3.31 0.72 0.00 -1.26 -4.94 105.19 100.61 3d0h n GLY 354 Ca -0.16 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3d0h n GLY 354 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d0h s ASP 355 N -2.80 5.52 0.12 1.61 2.15 0.24 -5.05 116.67 118.46 3d0h s ASP 355 Ca 0.49 -1.11 0.09 0.00 0.43 0.00 0.00 52.55 52.45 3d0h s ASP 355 Cb -0.27 -1.94 -0.04 0.00 -0.30 0.00 0.00 42.92 40.36 3d0h s ASP 355 CO 0.60 -0.37 -0.19 -0.36 -0.17 0.00 0.00 175.17 174.68 3d0h s PHE 356 N 1.47 2.51 -0.01 -5.34 0.40 -1.26 -2.51 117.98 113.23 3d0h s PHE 356 Ca 0.00 -0.28 -0.29 0.00 -0.60 0.00 0.00 56.93 55.76 3d0h s PHE 356 Cb -0.20 -1.33 0.10 0.00 0.51 0.00 0.00 43.02 42.11 3d0h s PHE 356 CO 0.04 0.39 0.97 -0.98 0.70 0.00 0.00 175.22 176.34 3d0h s ARG 357 N -2.16 0.77 0.04 0.44 1.70 -1.11 -3.57 118.95 115.07 3d0h s ARG 357 Ca 0.18 -0.32 0.09 0.00 -0.47 0.00 0.00 55.73 55.20 3d0h s ARG 357 Cb -0.10 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 3d0h s ARG 357 CO 0.10 -0.34 -0.24 0.42 -1.08 0.00 0.00 175.30 174.15 3d0h s ILE 358 N -3.00 2.34 -0.30 4.99 1.01 -1.26 -0.68 121.20 124.30 3d0h s ILE 358 Ca 0.07 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.39 3d0h s ILE 358 Cb -0.01 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.59 3d0h s ILE 358 CO -0.06 0.35 -0.02 -0.22 0.00 0.00 0.00 174.94 175.00 3d0h s LEU 359 N -1.31 3.95 -0.17 2.97 2.96 -0.14 -0.76 118.68 126.18 3d0h s LEU 359 Ca 0.13 -1.48 -0.08 0.00 -0.22 0.00 0.00 54.13 52.48 3d0h s LEU 359 Cb -0.10 -1.66 0.07 0.00 0.50 0.00 0.00 46.19 45.00 3d0h s LEU 359 CO 0.03 -0.27 0.39 -0.32 -1.32 0.00 0.00 176.35 174.85 3d0h s MET 360 N 1.15 0.33 -1.56 1.98 1.75 0.48 -1.30 119.30 122.13 3d0h s MET 360 Ca -0.04 0.85 -0.11 0.00 -1.25 0.00 0.00 55.69 55.15 3d0h s MET 360 Cb -0.20 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.52 3d0h s MET 360 CO -0.04 -0.20 2.73 0.00 -0.65 0.00 0.00 175.02 176.86 3d0h n THR 362 N 3.83 0.19 -3.21 0.00 -1.04 -0.75 -4.63 114.28 108.66 3d0h n THR 362 Ca 0.70 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.05 62.28 3d0h n THR 362 Cb 0.27 -1.26 -0.04 0.00 -1.82 0.00 0.00 70.33 67.48 3d0h n THR 362 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3d0h s LYS 363 N 5.23 3.76 -1.30 -2.82 3.01 -1.26 -4.82 119.74 121.54 3d0h s LYS 363 Ca 1.08 0.28 -0.08 0.00 -1.01 0.00 0.00 55.97 56.24 3d0h s LYS 363 Cb -1.07 -2.56 -0.06 0.00 -1.01 0.00 0.00 37.83 33.13 3d0h s LYS 363 CO 0.59 0.17 2.92 0.28 0.51 0.00 0.00 175.35 179.82 3d0h n VAL 364 N -0.73 4.31 -3.11 3.17 0.31 -1.26 -4.72 118.33 116.30 3d0h n VAL 364 Ca 0.01 -2.84 -0.19 0.00 -0.01 0.00 0.00 64.34 61.31 3d0h n VAL 364 Cb 0.53 -2.37 0.03 0.00 -0.91 0.00 0.00 33.84 31.12 3d0h n VAL 364 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3d0h s THR 365 N 1.09 2.53 -0.02 2.52 2.01 -1.26 -4.69 115.64 117.82 3d0h s THR 365 Ca 0.66 -1.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 3d0h s THR 365 Cb 0.21 -2.58 -0.33 0.00 0.01 0.00 0.00 72.50 69.80 3d0h s THR 365 CO -0.07 0.00 0.93 -0.03 -0.69 0.00 0.00 174.62 174.76 3d0h h MET 366 N 0.48 0.39 -0.85 4.92 1.85 -1.88 -3.04 114.93 116.79 3d0h h MET 366 Ca -0.35 -0.66 0.25 0.00 -0.61 0.00 0.00 59.70 58.32 3d0h h MET 366 Cb 1.28 0.25 -0.03 0.00 0.43 0.00 0.00 31.60 33.53 3d0h h MET 366 CO 0.45 1.32 0.68 -0.44 -0.40 0.00 0.00 176.91 178.52 3d0h h ASP 367 N -0.19 0.00 0.70 1.39 3.32 -1.96 0.24 116.42 119.92 3d0h h ASP 367 Ca -0.18 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.66 3d0h h ASP 367 Cb 1.83 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.35 3d0h h ASP 367 CO 0.20 0.00 -1.43 0.44 -1.72 0.00 0.00 179.24 176.73 3d0h h ASP 368 N 0.00 0.00 0.10 6.45 5.19 -1.84 -2.64 116.42 123.68 3d0h h ASP 368 Ca 0.41 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.62 3d0h h ASP 368 Cb 1.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.28 3d0h h ASP 368 CO -0.00 0.73 -0.75 0.15 -3.12 0.00 0.00 179.24 176.25 3d0h h PHE 369 N 0.00 0.75 -0.23 4.55 3.04 -0.51 0.18 116.94 124.72 3d0h h PHE 369 Ca -0.18 -0.33 -0.07 0.00 3.98 0.00 0.00 57.97 61.36 3d0h h PHE 369 Cb 1.72 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 40.11 3d0h h PHE 369 CO 0.00 1.12 -0.13 -0.07 -2.02 0.00 0.00 178.31 177.21 3d0h h LEU 370 N 0.38 0.52 -0.63 0.59 3.38 -1.11 -3.11 115.31 115.32 3d0h h LEU 370 Ca -0.04 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.57 3d0h h LEU 370 Cb 1.34 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 3d0h h LEU 370 CO 0.14 0.82 0.34 0.74 0.09 0.00 0.00 178.44 180.57 3d0h h THR 371 N 0.21 0.95 -0.68 0.22 2.02 -1.35 -1.33 112.91 112.95 3d0h h THR 371 Ca 0.05 -0.21 0.13 0.00 0.77 0.00 0.00 66.41 67.15 3d0h h THR 371 Cb 0.64 0.27 -0.13 0.00 -1.74 0.00 0.00 68.15 67.19 3d0h h THR 371 CO 0.04 0.11 -0.21 0.00 0.37 0.00 0.00 175.52 175.83 3d0h h ALA 372 N 1.34 0.35 0.02 6.16 0.00 -0.57 0.29 119.26 126.85 3d0h h ALA 372 Ca 0.29 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.45 3d0h h ALA 372 Cb 0.20 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3d0h h ALA 372 CO -0.19 -0.47 -0.05 0.45 0.00 0.00 0.00 179.25 178.99 3d0h h HIS 373 N -0.04 -0.12 -0.72 0.00 -0.00 -1.24 0.96 115.15 114.00 3d0h h HIS 373 Ca 0.32 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.74 3d0h h HIS 373 Cb 0.53 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.94 3d0h h HIS 373 CO -0.59 -0.08 0.43 1.25 -0.00 0.00 0.00 177.93 178.94 3d0h h HIS 374 N -0.10 0.79 -0.17 2.45 6.17 -0.62 0.75 115.15 124.42 3d0h h HIS 374 Ca 0.01 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.12 3d0h h HIS 374 Cb 0.11 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.78 3d0h h HIS 374 CO -0.11 0.41 0.10 0.93 0.71 0.00 0.00 177.93 179.97 3d0h h GLU 375 N 0.80 0.24 0.00 5.26 4.39 -0.19 -2.69 114.58 122.38 3d0h h GLU 375 Ca 0.31 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 3d0h h GLU 375 Cb 0.13 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3d0h h GLU 375 CO -0.15 0.22 -0.23 1.98 -1.16 0.00 0.00 179.01 179.66 3d0h h MET 376 N 0.19 0.00 0.46 2.33 4.05 0.08 -2.52 114.93 119.51 3d0h h MET 376 Ca 0.06 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 3d0h h MET 376 Cb 0.05 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3d0h h MET 376 CO -0.01 0.23 -0.41 0.78 0.23 0.00 0.00 176.91 177.73 3d0h h GLY 377 N 1.45 -1.16 -0.91 1.39 0.00 0.81 -1.05 103.07 103.59 3d0h h GLY 377 Ca -0.00 0.52 0.11 0.00 0.00 0.00 0.00 47.33 47.97 3d0h h GLY 377 CO 0.03 -0.36 -0.49 0.45 0.00 0.00 0.00 176.54 176.17 3d0h h HIS 378 N -0.85 -1.50 -0.84 5.60 -0.00 -1.20 0.80 115.15 117.16 3d0h h HIS 378 Ca -0.06 0.11 0.20 0.00 -0.00 0.00 0.00 60.37 60.62 3d0h h HIS 378 Cb 0.73 0.78 -0.05 0.00 -0.00 0.00 0.00 27.41 28.87 3d0h h HIS 378 CO -0.19 -0.39 0.57 0.82 -0.00 0.00 0.00 177.93 178.74 3d0h h ILE 379 N -0.04 0.68 -0.14 2.45 1.08 -1.22 0.18 117.51 120.49 3d0h h ILE 379 Ca 0.23 -0.10 -0.18 0.00 -0.39 0.00 0.00 64.86 64.42 3d0h h ILE 379 Cb 0.51 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3d0h h ILE 379 CO -0.92 0.06 -0.65 -0.61 -0.69 0.00 0.00 178.15 175.34 3d0h h GLN 380 N 0.30 0.54 -0.23 2.37 5.75 0.48 -1.92 115.11 122.39 3d0h h GLN 380 Ca 0.43 -0.39 -0.08 0.00 -0.15 0.00 0.00 58.65 58.46 3d0h h GLN 380 Cb 1.19 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 3d0h h GLN 380 CO -0.12 1.00 -0.16 -0.92 -2.65 0.00 0.00 178.83 175.98 3d0h h TYR 381 N 0.39 0.61 -0.62 3.99 -0.00 -0.14 0.17 116.97 121.38 3d0h h TYR 381 Ca -0.01 -0.17 0.11 0.00 -0.00 0.00 0.00 58.73 58.66 3d0h h TYR 381 Cb 1.21 -0.14 -0.08 0.00 -0.00 0.00 0.00 36.73 37.73 3d0h h TYR 381 CO 0.05 0.82 0.20 -0.44 -0.00 0.00 0.00 178.16 178.79 3d0h h ASP 382 N 0.23 0.15 -0.13 -2.11 3.32 -0.78 -2.12 116.42 114.98 3d0h h ASP 382 Ca 0.05 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3d0h h ASP 382 Cb 0.69 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3d0h h ASP 382 CO 0.04 0.08 0.02 0.24 -1.72 0.00 0.00 179.24 177.91 3d0h h MET 383 N 0.35 0.22 -0.19 3.56 2.86 -1.09 -3.12 114.93 117.53 3d0h h MET 383 Ca 0.32 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.96 3d0h h MET 383 Cb 0.44 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3d0h h MET 383 CO -0.35 0.41 0.14 0.00 1.06 0.00 0.00 176.91 178.17 3d0h h ALA 384 N 0.80 2.12 -0.32 6.32 0.00 0.01 -1.97 119.26 126.22 3d0h h ALA 384 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d0h h ALA 384 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3d0h h ALA 384 CO 0.00 -0.24 0.00 2.48 0.00 0.00 0.00 179.25 181.49 3d0h n TYR 385 N -4.37 0.91 0.20 0.00 -0.00 -1.04 -4.26 117.16 108.60 3d0h n TYR 385 Ca 0.02 -0.76 0.07 0.00 -0.00 0.00 0.00 57.90 57.22 3d0h n TYR 385 Cb 0.28 -0.25 0.32 0.00 -0.00 0.00 0.00 39.34 39.69 3d0h n TYR 385 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3d0h n ALA 386 N -0.12 1.23 -0.18 -3.48 0.00 -0.74 -1.41 120.51 115.82 3d0h n ALA 386 Ca 0.19 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.63 3d0h n ALA 386 Cb 0.79 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 19.06 3d0h n ALA 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d0h h ALA 387 N 2.13 0.66 -3.05 0.00 0.00 -1.79 -3.46 119.26 113.74 3d0h h ALA 387 Ca 0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 3d0h h ALA 387 Cb 0.10 -0.21 0.15 0.00 0.00 0.00 0.00 17.79 17.83 3d0h h ALA 387 CO 0.00 0.14 0.51 -0.65 0.00 0.00 0.00 179.25 179.25 3d0h s GLN 388 N -6.01 2.63 0.43 0.00 -1.52 -0.50 -4.97 119.66 109.73 3d0h s GLN 388 Ca -0.13 2.02 -0.25 0.00 -1.95 0.00 0.00 55.36 55.05 3d0h s GLN 388 Cb 0.12 -1.86 -0.09 0.00 -0.22 0.00 0.00 33.01 30.96 3d0h s GLN 388 CO 0.75 -1.53 1.21 -0.35 -0.25 0.00 0.00 175.29 175.12 3d0h n PRO 389 N -1.85 1.75 -0.30 2.91 -0.04 -1.26 -4.67 135.00 131.53 3d0h n PRO 389 Ca 0.15 0.63 0.21 0.00 -0.04 0.00 0.00 63.50 64.45 3d0h n PRO 389 Cb 0.48 -2.31 0.39 0.00 -0.04 0.00 0.00 33.50 32.03 3d0h n PRO 389 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3d0h n PHE 390 N -0.37 0.80 1.06 0.54 7.35 -1.26 0.03 117.46 125.61 3d0h n PHE 390 Ca 0.08 1.06 0.11 0.00 -0.76 0.00 0.00 57.45 57.94 3d0h n PHE 390 Cb 0.40 -1.32 0.57 0.00 0.35 0.00 0.00 39.48 39.49 3d0h n PHE 390 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3d0h n LEU 391 N -5.16 0.00 -0.28 -2.13 4.77 -1.26 -3.06 117.00 109.88 3d0h n LEU 391 Ca 0.27 0.30 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 3d0h n LEU 391 Cb 0.92 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 3d0h n LEU 391 CO -0.03 -0.07 0.33 0.18 -1.33 0.00 0.00 177.39 176.47 3d0h n LEU 392 N -1.30 1.52 -4.55 2.23 4.32 0.10 -4.87 117.00 114.44 3d0h n LEU 392 Ca 0.10 -0.94 -0.40 0.00 -0.02 0.00 0.00 56.01 54.75 3d0h n LEU 392 Cb 0.19 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.96 3d0h n LEU 392 CO 0.18 0.30 1.31 -0.13 -1.22 0.00 0.00 177.39 177.83 3d0h s ARG 393 N -0.78 3.11 0.00 3.23 0.52 -1.17 -0.45 118.95 123.41 3d0h s ARG 393 Ca 0.09 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 3d0h s ARG 393 Cb 0.07 -4.44 0.00 0.00 0.52 0.00 0.00 34.95 31.09 3d0h s ARG 393 CO 0.12 -2.33 0.00 -1.71 0.02 0.00 0.00 175.30 171.40 3d0h n ASN 394 N 10.16 0.00 -4.71 0.23 2.85 -1.26 -4.88 115.26 117.65 3d0h n ASN 394 Ca 0.13 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.22 3d0h n ASN 394 Cb 0.50 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.57 3d0h n ASN 394 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3d0h n GLY 395 N -0.09 0.43 0.32 8.20 0.00 -1.26 -0.13 105.19 112.66 3d0h n GLY 395 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3d0h n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d0h h ALA 396 N 0.98 1.07 -4.22 4.61 0.00 -1.89 -3.40 119.26 116.41 3d0h h ALA 396 Ca -0.50 0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.38 3d0h h ALA 396 Cb 1.33 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 3d0h h ALA 396 CO 0.55 -0.51 -0.27 0.27 0.00 0.00 0.00 179.25 179.29 3d0h n ASN 397 N -5.42 -0.85 -0.22 0.00 0.23 -1.26 -4.32 115.26 103.42 3d0h n ASN 397 Ca 0.20 -2.73 0.08 0.00 -0.53 0.00 0.00 54.58 51.60 3d0h n ASN 397 Cb 0.67 1.75 0.35 0.00 -2.08 0.00 0.00 39.78 40.46 3d0h n ASN 397 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3d0h h GLU 398 N 0.00 0.74 -0.36 -3.83 4.11 -1.88 -2.42 114.58 110.95 3d0h h GLU 398 Ca -0.21 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.06 3d0h h GLU 398 Cb 1.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3d0h h GLU 398 CO 0.30 0.49 -0.25 0.78 0.07 0.00 0.00 179.01 180.40 3d0h h GLY 399 N 0.77 0.78 0.13 1.06 0.00 -1.95 -3.33 103.07 100.53 3d0h h GLY 399 Ca 0.35 -0.68 0.14 0.00 0.00 0.00 0.00 47.33 47.15 3d0h h GLY 399 CO -0.13 0.62 0.30 0.74 0.00 0.00 0.00 176.54 178.06 3d0h h PHE 400 N 0.63 0.51 -0.41 5.60 -1.00 -1.79 -1.72 116.94 118.75 3d0h h PHE 400 Ca 0.08 0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.77 3d0h h PHE 400 Cb 0.75 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 3d0h h PHE 400 CO 0.04 0.06 -0.26 1.25 -1.61 0.00 0.00 178.31 177.78 3d0h h HIS 401 N 0.44 1.06 -0.47 -0.55 2.76 -1.70 -0.56 115.15 116.12 3d0h h HIS 401 Ca 0.42 -0.28 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 3d0h h HIS 401 Cb 0.64 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3d0h h HIS 401 CO -0.17 1.08 0.03 0.93 -1.30 0.00 0.00 177.93 178.51 3d0h h GLU 402 N 0.73 0.81 -0.17 5.26 4.39 -1.68 -2.50 114.58 121.41 3d0h h GLU 402 Ca 0.08 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.57 3d0h h GLU 402 Cb 0.84 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3d0h h GLU 402 CO 0.07 0.84 0.02 0.00 -1.16 0.00 0.00 179.01 178.78 3d0h h ALA 403 N 0.93 0.16 -0.95 3.43 0.00 -1.06 -1.57 119.26 120.21 3d0h h ALA 403 Ca 0.14 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3d0h h ALA 403 Cb 0.46 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3d0h h ALA 403 CO 0.02 -0.42 0.59 0.28 0.00 0.00 0.00 179.25 179.72 3d0h h VAL 404 N 0.08 0.98 -0.59 0.00 2.07 -0.95 -0.50 116.25 117.34 3d0h h VAL 404 Ca 0.08 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3d0h h VAL 404 Cb 0.08 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 3d0h h VAL 404 CO -0.12 0.18 0.39 1.23 0.02 0.00 0.00 177.57 179.28 3d0h h GLY 405 N 1.01 0.84 1.49 2.17 0.00 -0.96 -3.02 103.07 104.59 3d0h h GLY 405 Ca 0.44 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 3d0h h GLY 405 CO -0.22 0.30 -0.41 0.83 0.00 0.00 0.00 176.54 177.03 3d0h h GLU 406 N 0.80 0.56 -0.89 4.80 4.39 -0.16 -2.25 114.58 121.82 3d0h h GLU 406 Ca 0.22 -0.29 0.09 0.00 0.34 0.00 0.00 59.36 59.72 3d0h h GLU 406 Cb -0.08 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 3d0h h GLU 406 CO -0.05 0.87 0.58 0.82 -1.16 0.00 0.00 179.01 180.06 3d0h h ILE 407 N 0.46 0.98 0.35 3.13 1.08 -1.12 0.22 117.51 122.62 3d0h h ILE 407 Ca 0.04 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 3d0h h ILE 407 Cb 0.91 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 3d0h h ILE 407 CO 0.08 0.16 -0.17 0.24 -0.69 0.00 0.00 178.15 177.77 3d0h h MET 408 N 0.90 -0.46 -0.41 2.37 2.86 -1.50 -2.65 114.93 116.05 3d0h h MET 408 Ca 0.41 0.03 0.12 0.00 -2.06 0.00 0.00 59.70 58.20 3d0h h MET 408 Cb 0.38 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3d0h h MET 408 CO -0.17 -0.13 0.60 1.03 1.06 0.00 0.00 176.91 179.30 3d0h h SER 409 N -0.88 0.00 0.00 1.22 0.87 -0.63 -1.28 113.55 112.85 3d0h h SER 409 Ca -0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3d0h h SER 409 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3d0h h SER 409 CO 0.08 0.00 -0.01 0.25 -0.53 0.00 0.00 176.83 176.61 3d0h h LEU 410 N 0.00 0.00 -1.32 2.23 5.85 -0.38 -3.25 115.31 118.45 3d0h h LEU 410 Ca 0.19 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3d0h h LEU 410 Cb 1.39 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 3d0h h LEU 410 CO -0.00 0.58 0.50 0.28 -0.34 0.00 0.00 178.44 179.46 3d0h h SER 411 N -1.00 0.73 0.67 1.25 0.02 -0.90 -2.29 113.55 112.03 3d0h h SER 411 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3d0h h SER 411 Cb 0.15 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3d0h h SER 411 CO -0.00 0.48 -0.26 0.00 -1.14 0.00 0.00 176.83 175.90 3d0h h ALA 412 N 1.58 1.13 -0.00 3.77 0.00 -1.57 -3.11 119.26 121.07 3d0h h ALA 412 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3d0h h ALA 412 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3d0h h ALA 412 CO -0.11 0.33 -0.51 0.00 0.00 0.00 0.00 179.25 178.96 3d0h n ALA 413 N -2.29 3.61 -1.79 0.00 0.00 -0.86 -4.29 120.51 114.88 3d0h n ALA 413 Ca -0.01 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 3d0h n ALA 413 Cb 0.40 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 3d0h n ALA 413 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3d0h s THR 414 N -2.88 2.51 0.36 0.00 -4.23 -1.17 -4.87 115.64 105.36 3d0h s THR 414 Ca 0.14 0.49 0.14 0.00 -1.18 0.00 0.00 61.69 61.28 3d0h s THR 414 Cb 0.18 -3.31 0.36 0.00 1.34 0.00 0.00 72.50 71.06 3d0h s THR 414 CO 0.68 0.11 1.77 -0.65 -0.54 0.00 0.00 174.62 175.99 3d0h h PRO 415 N 3.66 0.49 0.04 3.99 0.11 -1.91 -0.57 132.00 137.82 3d0h h PRO 415 Ca -0.49 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3d0h h PRO 415 Cb 1.23 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3d0h h PRO 415 CO 0.68 0.32 -0.44 -0.22 -0.21 0.00 0.00 178.00 178.13 3d0h h LYS 416 N 0.50 -0.60 -0.09 1.05 3.64 -1.93 -1.38 116.57 117.76 3d0h h LYS 416 Ca 0.60 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.02 3d0h h LYS 416 Cb 1.32 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.27 3d0h h LYS 416 CO -0.35 -0.40 0.06 1.25 -2.27 0.00 0.00 179.45 177.74 3d0h h HIS 417 N -0.63 0.12 -0.90 1.91 2.76 -1.48 -1.91 115.15 115.03 3d0h h HIS 417 Ca 0.03 0.00 0.24 0.00 -2.20 0.00 0.00 60.37 58.44 3d0h h HIS 417 Cb 0.68 -0.04 -0.16 0.00 1.55 0.00 0.00 27.41 29.44 3d0h h HIS 417 CO -0.42 0.09 0.10 -0.07 -1.30 0.00 0.00 177.93 176.33 3d0h h LEU 418 N 0.12 -0.28 0.53 0.26 -0.00 -1.02 0.79 115.31 115.71 3d0h h LEU 418 Ca 0.03 0.23 -0.03 0.00 -0.00 0.00 0.00 57.88 58.12 3d0h h LEU 418 Cb 0.00 0.38 0.01 0.00 -0.00 0.00 0.00 40.66 41.04 3d0h h LEU 418 CO -0.01 -0.25 -0.25 0.11 -0.00 0.00 0.00 178.44 178.04 3d0h h LYS 419 N 0.09 -0.69 -0.93 1.13 1.57 -0.74 -2.05 116.57 114.96 3d0h h LYS 419 Ca 0.55 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.49 3d0h h LYS 419 Cb 1.10 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 33.43 3d0h h LYS 419 CO -0.77 -0.38 -0.44 0.45 -0.57 0.00 0.00 179.45 177.74 3d0h n SER 420 N -5.30 -0.76 0.05 0.86 2.88 -0.28 -1.41 113.62 109.65 3d0h n SER 420 Ca -0.11 1.63 -0.10 0.00 -1.33 0.00 0.00 58.87 58.96 3d0h n SER 420 Cb 0.32 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.42 3d0h n SER 420 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3d0h h ILE 421 N 0.00 0.00 0.00 2.46 2.04 -0.90 -3.47 117.51 117.64 3d0h h ILE 421 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 3d0h h ILE 421 Cb 0.48 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3d0h h ILE 421 CO -0.90 0.00 0.00 0.61 0.00 0.00 0.00 178.15 177.86 3d0h n GLY 422 N -1.29 -0.62 0.30 5.37 0.00 -0.50 -5.01 105.19 103.44 3d0h n GLY 422 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3d0h n GLY 422 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d0h n LEU 423 N 0.00 1.09 -3.80 0.99 4.77 -0.83 -4.81 117.00 114.43 3d0h n LEU 423 Ca 0.00 -0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 55.53 3d0h n LEU 423 Cb 0.00 -0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 40.84 3d0h n LEU 423 CO 0.00 0.20 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.68 3d0h s LEU 424 N -2.34 1.21 -0.07 2.23 2.96 -1.18 -4.86 118.68 116.63 3d0h s LEU 424 Ca 0.29 0.02 -0.39 0.00 -0.22 0.00 0.00 54.13 53.83 3d0h s LEU 424 Cb 0.20 -0.10 -0.17 0.00 0.50 0.00 0.00 46.19 46.61 3d0h s LEU 424 CO 0.46 -0.11 1.41 -0.24 -1.32 0.00 0.00 176.35 176.55 3d0h n SER 425 N 4.04 1.45 -0.14 3.68 2.88 -1.26 -4.41 113.62 119.86 3d0h n SER 425 Ca -0.26 1.12 0.25 0.00 -1.33 0.00 0.00 58.87 58.65 3d0h n SER 425 Cb 0.51 -1.10 0.43 0.00 -0.75 0.00 0.00 64.21 63.31 3d0h n SER 425 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3d0h h PRO 426 N 4.93 0.00 0.00 -1.46 0.13 -1.95 0.79 132.00 134.44 3d0h h PRO 426 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 3d0h h PRO 426 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 3d0h h PRO 426 CO 0.82 0.00 -0.83 -0.44 -0.23 0.00 0.00 178.00 177.32 3d0h h ASP 427 N 0.00 0.00 -0.52 1.44 3.32 -2.01 -3.48 116.42 115.17 3d0h h ASP 427 Ca 0.42 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 57.03 3d0h h ASP 427 Cb 2.66 0.00 0.01 0.00 0.22 0.00 0.00 39.33 42.22 3d0h h ASP 427 CO -0.00 0.71 0.24 0.33 -1.72 0.00 0.00 179.24 178.79 3d0h n PHE 428 N -3.23 0.70 -3.46 4.55 -0.00 0.27 -4.87 117.46 111.42 3d0h n PHE 428 Ca -0.01 0.58 -0.43 0.00 -0.00 0.00 0.00 57.45 57.58 3d0h n PHE 428 Cb 0.83 -1.12 -0.05 0.00 -0.00 0.00 0.00 39.48 39.14 3d0h n PHE 428 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3d0h s GLN 429 N 0.99 3.27 -0.47 -4.13 0.00 -1.26 -5.03 119.66 113.03 3d0h s GLN 429 Ca 0.52 -2.51 -0.27 0.00 -0.00 0.00 0.00 55.36 53.10 3d0h s GLN 429 Cb -0.73 -4.20 -0.05 0.00 0.00 0.00 0.00 33.01 28.03 3d0h s GLN 429 CO 0.38 -1.25 2.20 -1.21 0.00 0.00 0.00 175.29 175.41 3d0h s GLU 430 N 0.04 2.47 0.49 9.60 2.02 -1.26 -4.95 118.70 127.11 3d0h s GLU 430 Ca 0.18 1.31 0.03 0.00 0.02 0.00 0.00 54.97 56.51 3d0h s GLU 430 Cb -0.13 -4.48 -0.02 0.00 0.10 0.00 0.00 34.13 29.59 3d0h s GLU 430 CO -0.07 -2.87 0.06 0.16 0.02 0.00 0.00 175.26 172.56 3d0h s ASP 431 N 10.18 4.15 0.66 -0.19 3.84 -1.26 -5.00 116.67 129.05 3d0h s ASP 431 Ca 0.89 -1.51 0.38 0.00 -0.00 0.00 0.00 52.55 52.31 3d0h s ASP 431 Cb -0.19 0.24 2.09 0.00 -1.38 0.00 0.00 42.92 43.68 3d0h s ASP 431 CO 0.27 -0.77 2.20 -0.55 -0.00 0.00 0.00 175.17 176.32 3d0h h ASN 432 N 1.38 0.00 0.11 2.11 7.08 -1.99 -1.84 115.58 122.44 3d0h h ASN 432 Ca -0.43 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 52.59 3d0h h ASN 432 Cb 1.29 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.54 3d0h h ASN 432 CO 0.74 0.00 -0.96 -0.33 -2.08 0.00 0.00 177.43 174.80 3d0h h GLU 433 N 0.00 0.24 -0.05 4.14 5.08 -1.97 -2.69 114.58 119.34 3d0h h GLU 433 Ca 0.01 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3d0h h GLU 433 Cb 0.26 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3d0h h GLU 433 CO -0.00 1.20 0.03 1.79 -1.00 0.00 0.00 179.01 181.03 3d0h h THR 434 N -0.44 1.01 -0.75 1.13 1.35 -1.85 -1.27 112.91 112.10 3d0h h THR 434 Ca -0.19 -0.03 0.14 0.00 -0.55 0.00 0.00 66.41 65.78 3d0h h THR 434 Cb 1.61 0.95 -0.09 0.00 -1.73 0.00 0.00 68.15 68.88 3d0h h THR 434 CO 0.09 0.01 0.29 -0.08 -0.25 0.00 0.00 175.52 175.59 3d0h h GLU 435 N 0.06 0.42 -0.28 4.72 4.81 -1.47 0.36 114.58 123.20 3d0h h GLU 435 Ca 0.02 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3d0h h GLU 435 Cb -0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3d0h h GLU 435 CO -0.00 0.28 -0.04 0.82 -0.73 0.00 0.00 179.01 179.34 3d0h h ILE 436 N 0.44 1.27 -0.43 2.32 1.08 -1.20 0.19 117.51 121.18 3d0h h ILE 436 Ca 0.41 -1.03 0.08 0.00 -0.39 0.00 0.00 64.86 63.93 3d0h h ILE 436 Cb 0.62 1.37 -0.09 0.00 -3.07 0.00 0.00 36.82 35.65 3d0h h ILE 436 CO -0.40 0.33 -0.36 0.78 -0.69 0.00 0.00 178.15 177.81 3d0h h ASN 437 N 0.29 -1.20 -0.47 1.72 2.35 -0.27 0.75 115.58 118.76 3d0h h ASN 437 Ca 0.07 0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 3d0h h ASN 437 Cb 0.50 0.55 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 3d0h h ASN 437 CO 0.02 -0.33 0.20 0.15 -1.65 0.00 0.00 177.43 175.82 3d0h h PHE 438 N -0.26 0.76 -0.04 1.19 3.57 -0.13 -1.46 116.94 120.56 3d0h h PHE 438 Ca 0.17 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3d0h h PHE 438 Cb 0.55 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3d0h h PHE 438 CO -0.58 0.60 -0.13 1.25 -2.23 0.00 0.00 178.31 177.22 3d0h h LEU 439 N 0.75 0.18 -0.81 0.59 5.85 0.37 -2.05 115.31 120.20 3d0h h LEU 439 Ca 0.18 -0.63 0.13 0.00 0.84 0.00 0.00 57.88 58.40 3d0h h LEU 439 Cb 0.17 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 3d0h h LEU 439 CO -0.02 0.78 0.41 0.25 -0.34 0.00 0.00 178.44 179.52 3d0h h LEU 440 N -0.40 0.50 0.58 2.25 7.12 0.64 0.14 115.31 126.13 3d0h h LEU 440 Ca -0.01 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.06 3d0h h LEU 440 Cb 0.77 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.91 3d0h h LEU 440 CO 0.03 0.23 -0.28 0.50 -0.13 0.00 0.00 178.44 178.79 3d0h h LYS 441 N 0.61 -0.75 -0.83 1.25 3.64 -1.31 -2.00 116.57 117.19 3d0h h LYS 441 Ca 0.43 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 60.02 3d0h h LYS 441 Cb 0.57 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 3d0h h LYS 441 CO -0.34 -0.46 0.55 1.96 -2.27 0.00 0.00 179.45 178.89 3d0h h GLN 442 N -0.88 0.47 -0.11 1.90 1.08 -0.41 -0.17 115.11 117.00 3d0h h GLN 442 Ca -0.08 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3d0h h GLN 442 Cb 0.63 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3d0h h GLN 442 CO 0.13 0.31 0.04 0.00 -0.95 0.00 0.00 178.83 178.36 3d0h h ALA 443 N 1.62 0.15 -1.16 3.87 0.00 -0.62 -0.78 119.26 122.33 3d0h h ALA 443 Ca 0.42 -0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.55 3d0h h ALA 443 Cb 0.91 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3d0h h ALA 443 CO -0.16 -0.25 0.81 -0.07 0.00 0.00 0.00 179.25 179.58 3d0h h LEU 444 N 0.00 0.14 0.00 0.00 4.07 -0.25 0.22 115.31 119.50 3d0h h LEU 444 Ca 0.04 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 3d0h h LEU 444 Cb 0.20 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 3d0h h LEU 444 CO -0.00 0.01 -0.79 0.41 -1.08 0.00 0.00 178.44 176.99 3d0h n THR 445 N -4.33 1.45 0.25 0.22 -1.04 -1.15 -1.69 114.28 107.98 3d0h n THR 445 Ca 0.26 0.15 -0.11 0.00 -2.04 0.00 0.00 64.05 62.32 3d0h n THR 445 Cb 1.16 -2.33 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 3d0h n THR 445 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3d0h h ILE 446 N -1.00 0.04 -0.16 12.58 2.04 -0.76 -2.93 117.51 127.32 3d0h h ILE 446 Ca -0.06 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 3d0h h ILE 446 Cb 0.75 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3d0h h ILE 446 CO -0.04 0.01 -0.15 0.58 0.00 0.00 0.00 178.15 178.55 3d0h h VAL 447 N -1.17 1.19 -0.83 1.67 2.07 -0.82 -3.16 116.25 115.21 3d0h h VAL 447 Ca -0.07 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3d0h h VAL 447 Cb 0.54 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3d0h h VAL 447 CO 0.12 0.27 0.44 1.23 0.02 0.00 0.00 177.57 179.64 3d0h h GLY 448 N 0.79 1.25 1.76 2.17 0.00 -1.08 -3.12 103.07 104.84 3d0h h GLY 448 Ca 0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 47.33 46.62 3d0h h GLY 448 CO 0.02 0.55 -0.76 0.00 0.00 0.00 0.00 176.54 176.36 3d0h h THR 449 N 1.16 1.44 -0.42 4.70 1.03 -1.47 -3.34 112.91 116.00 3d0h h THR 449 Ca 0.29 -2.32 0.05 0.00 -0.01 0.00 0.00 66.41 64.41 3d0h h THR 449 Cb 0.05 2.25 -0.07 0.00 -1.07 0.00 0.00 68.15 69.31 3d0h h THR 449 CO -0.04 0.68 -0.45 -0.07 -0.01 0.00 0.00 175.52 175.63 3d0h h LEU 450 N 0.15 -1.54 0.26 0.00 3.38 -1.58 0.61 115.31 116.60 3d0h h LEU 450 Ca -0.03 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3d0h h LEU 450 Cb 1.33 0.64 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 3d0h h LEU 450 CO 0.12 -0.29 -0.18 -0.65 0.09 0.00 0.00 178.44 177.53 3d0h h PRO 451 N -0.25 -0.42 -0.53 1.13 0.11 -1.74 -1.23 132.00 129.07 3d0h h PRO 451 Ca 0.07 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.30 3d0h h PRO 451 Cb 0.44 0.10 -0.10 0.00 0.11 0.00 0.00 31.00 31.54 3d0h h PRO 451 CO -0.53 -0.28 -0.39 0.35 -0.21 0.00 0.00 178.00 176.94 3d0h h PHE 452 N -0.43 -1.13 -0.32 0.65 3.04 -1.22 0.69 116.94 118.22 3d0h h PHE 452 Ca -0.02 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 3d0h h PHE 452 Cb 0.37 0.57 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 3d0h h PHE 452 CO -0.10 -0.41 0.16 1.15 -2.02 0.00 0.00 178.31 177.09 3d0h h THR 453 N -0.23 1.14 -0.28 4.41 2.02 0.25 0.10 112.91 120.32 3d0h h THR 453 Ca 0.19 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 67.00 3d0h h THR 453 Cb 0.56 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3d0h h THR 453 CO -0.65 0.15 0.11 0.22 0.37 0.00 0.00 175.52 175.72 3d0h h TYR 454 N 0.38 0.20 0.35 3.16 5.03 -0.58 -1.62 116.97 123.91 3d0h h TYR 454 Ca 0.11 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 3d0h h TYR 454 Cb 0.09 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.32 3d0h h TYR 454 CO -0.02 0.10 -0.19 1.98 -1.32 0.00 0.00 178.16 178.70 3d0h h MET 455 N 0.25 -0.49 -0.21 1.82 4.05 -0.69 -1.19 114.93 118.46 3d0h h MET 455 Ca 0.12 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.60 3d0h h MET 455 Cb 0.07 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 3d0h h MET 455 CO -0.11 -0.33 -0.24 1.25 0.23 0.00 0.00 176.91 177.71 3d0h h LEU 456 N -0.51 -0.81 -2.06 3.39 7.12 -0.79 -1.79 115.31 119.85 3d0h h LEU 456 Ca -0.04 0.11 0.09 0.00 0.13 0.00 0.00 57.88 58.17 3d0h h LEU 456 Cb 0.41 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 40.86 3d0h h LEU 456 CO 0.06 -0.16 0.26 -0.33 -0.13 0.00 0.00 178.44 178.14 3d0h h GLU 457 N -0.15 0.00 0.57 1.25 4.39 -1.21 -2.14 114.58 117.30 3d0h h GLU 457 Ca 0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3d0h h GLU 457 Cb 0.24 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3d0h h GLU 457 CO -0.27 0.00 -0.28 -0.22 -1.16 0.00 0.00 179.01 177.08 3d0h h LYS 458 N 0.00 -0.74 -0.99 2.33 1.63 -0.38 0.69 116.57 119.11 3d0h h LYS 458 Ca 0.15 0.05 0.36 0.00 -0.85 0.00 0.00 60.65 60.36 3d0h h LYS 458 Cb 0.67 0.17 -0.18 0.00 -0.60 0.00 0.00 32.23 32.29 3d0h h LYS 458 CO -0.00 -0.49 0.37 2.35 -3.45 0.00 0.00 179.45 178.23 3d0h h TRP 459 N -1.10 0.55 0.05 1.91 7.01 -1.02 0.96 115.95 124.30 3d0h h TRP 459 Ca -0.08 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 3d0h h TRP 459 Cb 0.59 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 3d0h h TRP 459 CO 0.02 -0.43 -0.02 -0.09 -2.79 0.00 0.00 178.44 175.12 3d0h h ARG 460 N 0.03 -0.06 -0.78 2.65 2.43 -1.24 -1.03 114.38 116.39 3d0h h ARG 460 Ca 0.75 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 60.04 3d0h h ARG 460 Cb 1.85 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 31.33 3d0h h ARG 460 CO -0.80 0.48 0.39 -1.49 -1.51 0.00 0.00 179.97 177.04 3d0h h TRP 461 N -0.64 0.69 -0.17 2.20 6.55 0.63 -2.06 115.95 123.16 3d0h h TRP 461 Ca -0.01 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3d0h h TRP 461 Cb 0.56 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.67 3d0h h TRP 461 CO 0.11 0.21 0.04 0.52 -1.05 0.00 0.00 178.44 178.28 3d0h h MET 462 N 0.62 0.27 -2.04 0.49 2.86 -0.87 -2.73 114.93 113.52 3d0h h MET 462 Ca 0.40 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 3d0h h MET 462 Cb 0.49 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3d0h h MET 462 CO -0.31 0.41 -0.01 0.28 1.06 0.00 0.00 176.91 178.34 3d0h n VAL 463 N -4.81 1.32 0.05 -2.22 0.31 -0.39 -0.88 118.33 111.70 3d0h n VAL 463 Ca -0.05 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 3d0h n VAL 463 Cb 0.16 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3d0h n VAL 463 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3d0h n PHE 464 N 1.80 -1.50 0.82 3.52 0.99 -1.12 -4.61 117.46 117.35 3d0h n PHE 464 Ca 0.03 0.24 0.06 0.00 -0.00 0.00 0.00 57.45 57.77 3d0h n PHE 464 Cb 0.34 0.85 0.34 0.00 -1.00 0.00 0.00 39.48 40.01 3d0h n PHE 464 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3d0h n LYS 465 N -2.77 0.41 -2.83 -1.08 5.02 -1.05 -4.76 118.16 111.10 3d0h n LYS 465 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 3d0h n LYS 465 Cb 0.00 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.59 3d0h n LYS 465 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d0h n GLY 466 N -0.17 -0.51 0.00 0.72 0.00 -0.06 -4.86 105.19 100.31 3d0h n GLY 466 Ca 0.09 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3d0h n GLY 466 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d0h n GLU 467 N -3.57 0.74 -3.73 1.61 1.02 -0.50 -4.57 120.64 111.63 3d0h n GLU 467 Ca -0.14 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.75 3d0h n GLU 467 Cb 0.63 -1.28 -0.17 0.00 -0.02 0.00 0.00 31.44 30.60 3d0h n GLU 467 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3d0h s ILE 468 N -2.00 0.37 0.55 -3.67 1.01 -1.26 -4.99 121.20 111.21 3d0h s ILE 468 Ca 0.20 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 3d0h s ILE 468 Cb 0.09 -0.76 -0.06 0.00 0.01 0.00 0.00 42.46 41.74 3d0h s ILE 468 CO 0.15 -0.03 1.01 -2.84 0.00 0.00 0.00 174.94 173.23 3d0h s PRO 469 N 1.95 3.74 0.58 2.79 0.02 -1.26 -4.84 135.00 137.99 3d0h s PRO 469 Ca 0.02 0.97 0.28 0.00 0.02 0.00 0.00 61.00 62.29 3d0h s PRO 469 Cb -0.15 -2.10 1.59 0.00 0.02 0.00 0.00 34.50 33.86 3d0h s PRO 469 CO -0.07 -0.45 2.05 0.87 -0.33 0.00 0.00 177.00 179.07 3d0h h LYS 470 N 0.58 0.00 -0.26 5.54 1.57 -2.01 -1.86 116.57 120.13 3d0h h LYS 470 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3d0h h LYS 470 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3d0h h LYS 470 CO 0.61 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.09 3d0h n ASP 471 N -3.82 1.76 0.00 0.86 5.75 -1.26 -3.71 116.55 116.13 3d0h n ASP 471 Ca 0.03 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3d0h n ASP 471 Cb 0.41 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3d0h n ASP 471 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d0h n GLN 472 N 0.42 2.20 -0.07 0.11 6.02 -0.72 -4.88 117.38 120.46 3d0h n GLN 472 Ca 0.14 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.16 3d0h n GLN 472 Cb 0.31 -0.17 0.06 0.00 1.02 0.00 0.00 30.24 31.47 3d0h n GLN 472 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3d0h n TRP 473 N -0.31 0.14 -0.11 1.08 7.02 -1.06 -0.44 117.44 123.76 3d0h n TRP 473 Ca 0.00 0.25 -0.21 0.00 -1.02 0.00 0.00 57.50 56.52 3d0h n TRP 473 Cb 0.00 -0.66 -0.11 0.00 -2.42 0.00 0.00 31.31 28.12 3d0h n TRP 473 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3d0h n MET 474 N -4.02 0.56 -0.29 -0.99 2.81 -1.26 -3.38 117.12 110.54 3d0h n MET 474 Ca 0.05 0.55 0.12 0.00 -1.81 0.00 0.00 57.70 56.61 3d0h n MET 474 Cb 0.17 -1.72 0.24 0.00 -0.71 0.00 0.00 33.22 31.19 3d0h n MET 474 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3d0h n LYS 475 N -4.43 -0.07 0.07 0.03 4.81 0.38 -0.66 118.16 118.29 3d0h n LYS 475 Ca -0.32 1.27 -0.21 0.00 -0.87 0.00 0.00 58.31 58.17 3d0h n LYS 475 Cb 0.67 -2.01 -0.13 0.00 0.02 0.00 0.00 35.03 33.58 3d0h n LYS 475 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3d0h h LYS 476 N 0.00 0.52 -0.13 1.64 3.11 -0.93 -2.64 116.57 118.15 3d0h h LYS 476 Ca 0.50 -0.72 0.04 0.00 -2.81 0.00 0.00 60.65 57.67 3d0h h LYS 476 Cb 1.02 0.24 -0.07 0.00 -1.00 0.00 0.00 32.23 32.43 3d0h h LYS 476 CO -0.80 1.31 -0.41 2.35 -2.81 0.00 0.00 179.45 179.09 3d0h h TRP 477 N 0.07 -1.18 0.00 1.91 2.91 -0.90 -0.49 115.95 118.27 3d0h h TRP 477 Ca -0.17 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.89 3d0h h TRP 477 Cb 1.78 0.54 -0.00 0.00 -0.51 0.00 0.00 29.16 30.97 3d0h h TRP 477 CO 0.14 -0.47 -0.06 -1.49 -1.03 0.00 0.00 178.44 175.52 3d0h h TRP 478 N -0.49 0.00 -0.59 2.65 4.06 -1.38 0.49 115.95 120.70 3d0h h TRP 478 Ca 0.08 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.05 3d0h h TRP 478 Cb 0.62 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.75 3d0h h TRP 478 CO -0.48 0.06 0.37 0.93 -3.56 0.00 0.00 178.44 175.76 3d0h h GLU 479 N 0.00 0.71 -0.00 0.49 5.08 -0.76 -1.45 114.58 118.64 3d0h h GLU 479 Ca -0.00 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 3d0h h GLU 479 Cb 0.13 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3d0h h GLU 479 CO 0.01 0.47 -0.76 0.52 -1.00 0.00 0.00 179.01 178.25 3d0h h MET 480 N 0.73 0.06 0.04 2.33 0.00 0.42 0.32 114.93 118.83 3d0h h MET 480 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 59.70 59.88 3d0h h MET 480 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 31.60 31.61 3d0h h MET 480 CO -0.09 0.79 -0.02 0.87 0.00 0.00 0.00 176.91 178.46 3d0h h LYS 481 N 0.03 -0.06 -0.33 1.72 1.79 -0.98 0.23 116.57 118.98 3d0h h LYS 481 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3d0h h LYS 481 Cb 1.34 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.99 3d0h h LYS 481 CO 0.10 0.09 0.18 0.00 -1.08 0.00 0.00 179.45 178.75 3d0h h ARG 482 N -0.19 0.46 0.00 3.15 3.08 -0.43 0.54 114.38 120.99 3d0h h ARG 482 Ca -0.01 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3d0h h ARG 482 Cb 0.17 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3d0h h ARG 482 CO 0.01 0.39 -0.26 1.49 -1.07 0.00 0.00 179.97 180.53 3d0h h GLU 483 N 0.41 0.17 0.11 0.04 4.81 -0.35 -2.94 114.58 116.84 3d0h h GLU 483 Ca 0.12 -0.19 -0.35 0.00 -0.13 0.00 0.00 59.36 58.81 3d0h h GLU 483 Cb 0.06 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3d0h h GLU 483 CO -0.02 0.93 -1.94 -0.89 -0.73 0.00 0.00 179.01 176.37 3d0h n ILE 484 N -4.50 1.76 -0.03 2.32 5.41 0.78 -4.46 119.36 120.64 3d0h n ILE 484 Ca -0.10 -0.60 0.06 0.00 1.00 0.00 0.00 62.75 63.11 3d0h n ILE 484 Cb 0.51 -1.76 -0.16 0.00 -0.71 0.00 0.00 39.64 37.52 3d0h n ILE 484 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3d0h n VAL 485 N -3.57 0.33 -3.28 1.39 0.31 -0.87 -4.95 118.33 107.69 3d0h n VAL 485 Ca -0.32 -0.57 -0.17 0.00 -0.01 0.00 0.00 64.34 63.27 3d0h n VAL 485 Cb 1.01 -0.10 0.06 0.00 -0.91 0.00 0.00 33.84 33.90 3d0h n VAL 485 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d0h n GLY 486 N 1.42 -0.15 3.42 2.92 0.00 0.17 -4.97 105.19 108.00 3d0h n GLY 486 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3d0h n GLY 486 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d0h s VAL 487 N -3.24 2.87 0.07 1.61 1.01 -0.19 -1.54 120.40 120.99 3d0h s VAL 487 Ca 0.38 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.66 3d0h s VAL 487 Cb -0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3d0h s VAL 487 CO 0.54 0.58 -0.23 0.68 0.00 0.00 0.00 175.10 176.66 3d0h s VAL 488 N -0.48 1.91 0.17 2.92 -7.23 0.23 -1.77 120.40 116.15 3d0h s VAL 488 Ca 0.06 -1.41 -0.28 0.00 -1.81 0.00 0.00 61.98 58.54 3d0h s VAL 488 Cb -0.12 -1.67 -0.08 0.00 0.56 0.00 0.00 36.38 35.08 3d0h s VAL 488 CO 0.02 0.19 0.88 -1.83 -0.31 0.00 0.00 175.10 174.04 3d0h s GLU 489 N -1.47 4.71 0.43 4.82 1.03 -1.26 -1.28 118.70 125.68 3d0h s GLU 489 Ca 0.10 1.35 0.24 0.00 0.03 0.00 0.00 54.97 56.68 3d0h s GLU 489 Cb -0.10 -3.30 0.75 0.00 -0.80 0.00 0.00 34.13 30.69 3d0h s GLU 489 CO 0.03 0.45 1.75 -1.35 -1.33 0.00 0.00 175.26 174.81 3d0h h PRO 490 N 4.63 0.00 -5.17 -4.83 0.11 -1.96 -3.42 132.00 121.35 3d0h h PRO 490 Ca -0.45 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.30 3d0h h PRO 490 Cb 1.20 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.15 3d0h h PRO 490 CO 0.68 0.21 -0.73 0.14 -0.21 0.00 0.00 178.00 178.09 3d0h s VAL 491 N -3.48 1.19 0.47 3.15 -7.23 -1.26 -3.59 120.40 109.65 3d0h s VAL 491 Ca 0.02 -1.84 -0.22 0.00 -1.81 0.00 0.00 61.98 58.13 3d0h s VAL 491 Cb 0.09 -1.62 -0.07 0.00 0.56 0.00 0.00 36.38 35.34 3d0h s VAL 491 CO 0.65 -0.58 1.14 -2.16 -0.31 0.00 0.00 175.10 173.83 3d0h s PRO 492 N -3.13 3.73 -0.28 4.82 0.04 -1.26 -5.04 135.00 133.89 3d0h s PRO 492 Ca 0.11 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.85 3d0h s PRO 492 Cb -0.01 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 32.28 3d0h s PRO 492 CO 0.01 -0.55 0.03 -1.01 0.04 0.00 0.00 177.00 175.52 3d0h s HIS 493 N -1.63 2.33 0.78 0.56 3.76 -1.26 -5.14 115.29 114.70 3d0h s HIS 493 Ca 0.65 -1.93 -0.11 0.00 -0.15 0.00 0.00 55.06 53.52 3d0h s HIS 493 Cb -0.26 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.64 3d0h s HIS 493 CO 0.31 -0.83 1.09 0.16 -0.85 0.00 0.00 174.74 174.63 3d0h s ASP 494 N 1.41 4.62 0.00 1.40 1.47 -1.26 -4.66 116.67 119.64 3d0h s ASP 494 Ca 0.03 1.32 0.00 0.00 1.18 0.00 0.00 52.55 55.08 3d0h s ASP 494 Cb -0.18 -2.07 0.00 0.00 -0.34 0.00 0.00 42.92 40.33 3d0h s ASP 494 CO -0.13 -1.89 0.60 -0.62 0.68 0.00 0.00 175.17 173.81 3d0h n GLU 495 N -3.38 0.00 0.17 2.11 -0.58 -1.26 -0.25 120.64 117.45 3d0h n GLU 495 Ca 0.07 0.17 0.02 0.00 -0.42 0.00 0.00 57.16 57.00 3d0h n GLU 495 Cb 0.56 -1.56 0.34 0.00 -0.57 0.00 0.00 31.44 30.21 3d0h n GLU 495 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3d0h h THR 496 N 0.00 1.27 -4.22 2.62 1.35 -1.96 -3.45 112.91 108.52 3d0h h THR 496 Ca 0.00 -1.30 -0.50 0.00 -0.55 0.00 0.00 66.41 64.05 3d0h h THR 496 Cb 0.12 1.68 0.09 0.00 -1.73 0.00 0.00 68.15 68.32 3d0h h THR 496 CO 0.00 0.37 0.37 -0.31 -0.25 0.00 0.00 175.52 175.70 3d0h s TYR 497 N -4.19 2.76 -0.44 4.73 2.02 0.65 -4.34 117.35 118.54 3d0h s TYR 497 Ca -0.03 1.53 0.07 0.00 -0.37 0.00 0.00 57.07 58.27 3d0h s TYR 497 Cb 0.14 -3.08 0.27 0.00 -0.40 0.00 0.00 41.96 38.89 3d0h s TYR 497 CO 0.73 -1.50 0.79 0.00 -1.57 0.00 0.00 175.55 174.00 3d0h h ASP 499 N 3.69 1.07 -0.95 0.00 3.45 -1.89 -2.57 116.42 119.22 3d0h h ASP 499 Ca -0.04 -0.02 0.19 0.00 0.43 0.00 0.00 57.03 57.59 3d0h h ASP 499 Cb 0.99 -0.25 -0.08 0.00 -0.56 0.00 0.00 39.33 39.42 3d0h h ASP 499 CO 0.36 0.75 0.61 1.55 -1.57 0.00 0.00 179.24 180.93 3d0h h PRO 500 N 1.25 0.58 0.00 3.56 0.13 -1.97 0.09 132.00 135.64 3d0h h PRO 500 Ca 0.37 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 3d0h h PRO 500 Cb -0.06 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 30.94 3d0h h PRO 500 CO -0.10 0.38 0.00 0.00 -0.23 0.00 0.00 178.00 178.05 3d0h n ALA 501 N -2.43 2.00 0.21 -0.56 0.00 -0.97 -2.69 120.51 116.07 3d0h n ALA 501 Ca 0.21 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.66 3d0h n ALA 501 Cb 0.61 -1.36 0.43 0.00 0.00 0.00 0.00 19.45 19.13 3d0h n ALA 501 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d0h n SER 502 N -1.53 0.43 -4.58 0.00 7.64 0.02 -4.02 113.62 111.57 3d0h n SER 502 Ca 0.05 0.67 -0.35 0.00 1.01 0.00 0.00 58.87 60.25 3d0h n SER 502 Cb 0.26 -0.74 -0.11 0.00 -1.01 0.00 0.00 64.21 62.62 3d0h n SER 502 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3d0h s LEU 503 N -4.08 3.72 0.08 -3.43 0.20 -1.09 -5.01 118.68 109.07 3d0h s LEU 503 Ca 0.00 -0.01 -0.16 0.00 0.69 0.00 0.00 54.13 54.65 3d0h s LEU 503 Cb 0.06 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 3d0h s LEU 503 CO 0.21 0.10 0.81 0.33 -0.29 0.00 0.00 176.35 177.50 3d0h n PHE 504 N 4.06 -0.23 -0.29 5.38 7.35 -1.26 -1.88 117.46 130.58 3d0h n PHE 504 Ca -0.16 0.65 0.11 0.00 -0.76 0.00 0.00 57.45 57.29 3d0h n PHE 504 Cb 0.52 -0.54 0.27 0.00 0.35 0.00 0.00 39.48 40.08 3d0h n PHE 504 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3d0h h HIS 505 N 0.00 0.60 0.50 -5.13 3.86 -1.91 0.66 115.15 113.73 3d0h h HIS 505 Ca 0.08 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3d0h h HIS 505 Cb 0.21 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3d0h h HIS 505 CO -0.55 -0.02 -0.24 0.28 0.86 0.00 0.00 177.93 178.27 3d0h h VAL 506 N 0.41 0.00 0.00 2.45 2.07 -1.63 0.61 116.25 120.17 3d0h h VAL 506 Ca 0.52 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.73 3d0h h VAL 506 Cb 0.94 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3d0h h VAL 506 CO -0.50 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 175.55 3d0h n SER 507 N -4.66 0.56 -1.13 0.57 3.41 -1.05 -1.36 113.62 109.95 3d0h n SER 507 Ca -0.08 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 3d0h n SER 507 Cb 0.26 -0.75 0.27 0.00 -0.26 0.00 0.00 64.21 63.73 3d0h n SER 507 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d0h n ASN 508 N -2.11 3.93 -3.06 4.04 3.02 0.23 -3.69 115.26 117.62 3d0h n ASN 508 Ca 0.03 -2.36 -0.11 0.00 -0.03 0.00 0.00 54.58 52.10 3d0h n ASN 508 Cb 0.24 -0.45 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 3d0h n ASN 508 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3d0h n ASP 509 N 0.69 -7.37 -3.81 6.41 2.03 -0.47 -4.93 116.55 109.10 3d0h n ASP 509 Ca 0.20 0.17 -0.16 0.00 0.52 0.00 0.00 54.79 55.53 3d0h n ASP 509 Cb 0.71 -4.61 -0.16 0.00 -0.72 0.00 0.00 41.12 36.34 3d0h n ASP 509 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3d0h s TYR 510 N -2.59 0.19 0.40 -0.67 2.02 0.21 -5.00 117.35 111.90 3d0h s TYR 510 Ca 0.18 0.05 -0.23 0.00 -0.37 0.00 0.00 57.07 56.70 3d0h s TYR 510 Cb -0.04 -0.31 -0.13 0.00 -0.40 0.00 0.00 41.96 41.08 3d0h s TYR 510 CO 0.79 -0.10 0.63 0.45 -1.57 0.00 0.00 175.55 175.75 3d0h n SER 511 N 4.04 -0.51 0.00 2.29 2.88 -1.26 -4.61 113.62 116.44 3d0h n SER 511 Ca -0.26 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 3d0h n SER 511 Cb 0.51 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 3d0h n SER 511 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3d0h n PHE 512 N -0.68 0.00 0.28 0.66 -0.00 -1.26 -4.72 117.46 111.74 3d0h n PHE 512 Ca 0.12 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.72 3d0h n PHE 512 Cb 0.38 0.00 0.84 0.00 -0.00 0.00 0.00 39.48 40.70 3d0h n PHE 512 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 3d0h h ILE 513 N 0.00 0.41 -0.99 -2.13 6.09 -1.92 -0.63 117.51 118.35 3d0h h ILE 513 Ca 0.00 -0.35 0.36 0.00 -1.37 0.00 0.00 64.86 63.50 3d0h h ILE 513 Cb 0.24 1.24 -0.17 0.00 0.47 0.00 0.00 36.82 38.61 3d0h h ILE 513 CO 0.00 0.07 0.48 0.08 -3.07 0.00 0.00 178.15 175.70 3d0h h ARG 514 N 0.00 0.11 -0.81 2.19 0.11 -1.94 0.16 114.38 114.20 3d0h h ARG 514 Ca -0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 3d0h h ARG 514 Cb 0.24 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 31.25 3d0h h ARG 514 CO 0.01 0.07 0.46 1.88 0.10 0.00 0.00 179.97 182.49 3d0h h TYR 515 N 0.11 1.09 0.48 4.08 0.05 -1.47 0.36 116.97 121.67 3d0h h TYR 515 Ca 0.77 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.51 3d0h h TYR 515 Cb 1.90 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 39.30 3d0h h TYR 515 CO -0.08 0.75 -0.23 -0.92 -1.05 0.00 0.00 178.16 176.63 3d0h h TYR 516 N 1.11 -0.59 -0.90 4.88 3.20 -0.93 -2.02 116.97 121.72 3d0h h TYR 516 Ca 0.29 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.33 3d0h h TYR 516 Cb 0.00 0.20 -0.11 0.00 1.54 0.00 0.00 36.73 38.36 3d0h h TYR 516 CO -0.00 -0.37 0.45 1.79 -1.64 0.00 0.00 178.16 178.40 3d0h h THR 517 N -0.80 0.60 -0.01 1.81 1.35 -1.03 -1.08 112.91 113.75 3d0h h THR 517 Ca -0.07 -0.19 0.03 0.00 -0.55 0.00 0.00 66.41 65.63 3d0h h THR 517 Cb 0.49 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 66.89 3d0h h THR 517 CO 0.11 0.10 -0.16 -0.09 -0.25 0.00 0.00 175.52 175.23 3d0h h ARG 518 N 0.54 -0.25 -0.94 4.72 2.43 -0.30 -1.99 114.38 118.59 3d0h h ARG 518 Ca 0.53 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.79 3d0h h ARG 518 Cb 0.91 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 3d0h h ARG 518 CO -0.45 -0.17 0.61 1.15 -1.51 0.00 0.00 179.97 179.61 3d0h h THR 519 N -0.26 1.07 0.48 0.20 2.02 -0.44 -1.06 112.91 114.92 3d0h h THR 519 Ca 0.05 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3d0h h THR 519 Cb 0.33 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3d0h h THR 519 CO -0.16 0.20 -0.23 -0.07 0.37 0.00 0.00 175.52 175.63 3d0h h LEU 520 N 1.08 -0.55 -0.77 2.58 4.07 -0.80 -3.21 115.31 117.70 3d0h h LEU 520 Ca 0.41 -0.07 0.17 0.00 0.08 0.00 0.00 57.88 58.47 3d0h h LEU 520 Cb 0.20 0.14 -0.11 0.00 1.08 0.00 0.00 40.66 41.97 3d0h h LEU 520 CO -0.16 -0.24 0.22 1.88 -1.08 0.00 0.00 178.44 179.06 3d0h h TYR 521 N -0.88 0.34 -0.43 1.13 0.05 -1.20 -2.12 116.97 113.87 3d0h h TYR 521 Ca -0.07 0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.80 3d0h h TYR 521 Cb 0.59 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.24 3d0h h TYR 521 CO 0.00 -0.08 -0.26 0.94 -1.05 0.00 0.00 178.16 177.72 3d0h n GLN 522 N -5.14 -0.19 0.19 4.88 7.27 -0.42 -0.19 117.38 123.78 3d0h n GLN 522 Ca 0.16 0.96 0.07 0.00 0.07 0.00 0.00 57.00 58.25 3d0h n GLN 522 Cb 0.50 -1.42 0.30 0.00 2.41 0.00 0.00 30.24 32.03 3d0h n GLN 522 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 3d0h h PHE 523 N 0.00 0.00 0.48 3.69 0.04 -1.44 -1.21 116.94 118.50 3d0h h PHE 523 Ca 0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3d0h h PHE 523 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3d0h h PHE 523 CO -0.73 0.34 -0.23 1.96 -0.60 0.00 0.00 178.31 179.04 3d0h h GLN 524 N 0.00 -0.62 -0.19 1.51 4.20 -0.26 0.26 115.11 120.01 3d0h h GLN 524 Ca -0.00 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3d0h h GLN 524 Cb 0.96 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 3d0h h GLN 524 CO 0.04 -0.35 -0.25 0.74 -0.67 0.00 0.00 178.83 178.34 3d0h h PHE 525 N -0.80 -0.68 -0.61 2.96 0.04 -0.52 -2.82 116.94 114.50 3d0h h PHE 525 Ca -0.07 0.04 0.10 0.00 2.80 0.00 0.00 57.97 60.84 3d0h h PHE 525 Cb 0.56 0.33 -0.08 0.00 2.20 0.00 0.00 35.95 38.97 3d0h h PHE 525 CO -0.01 -0.33 0.22 0.37 -0.60 0.00 0.00 178.31 177.95 3d0h h GLN 526 N -0.29 0.38 -0.05 1.51 5.75 -1.12 0.46 115.11 121.75 3d0h h GLN 526 Ca 0.12 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3d0h h GLN 526 Cb 0.47 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3d0h h GLN 526 CO -0.36 0.25 -0.13 1.49 -2.65 0.00 0.00 178.83 177.43 3d0h h GLU 527 N 0.39 -0.13 0.00 1.69 4.81 -0.69 -1.15 114.58 119.50 3d0h h GLU 527 Ca 0.31 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3d0h h GLU 527 Cb 0.40 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3d0h h GLU 527 CO -0.32 -0.09 -0.09 0.00 -0.73 0.00 0.00 179.01 177.78 3d0h h ALA 528 N -1.12 1.82 -0.24 2.92 0.00 -1.27 0.56 119.26 121.93 3d0h h ALA 528 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3d0h h ALA 528 Cb 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3d0h h ALA 528 CO -0.11 0.12 -0.25 -0.07 0.00 0.00 0.00 179.25 178.93 3d0h h LEU 529 N 0.00 0.65 -0.71 0.00 3.38 0.15 -0.29 115.31 118.49 3d0h h LEU 529 Ca -0.00 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 3d0h h LEU 529 Cb 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3d0h h LEU 529 CO 0.01 0.99 -0.36 0.00 0.09 0.00 0.00 178.44 179.17 3d0h h GLN 531 N 0.48 1.12 -0.12 0.00 4.20 -0.88 -1.17 115.11 118.74 3d0h h GLN 531 Ca 0.05 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 3d0h h GLN 531 Cb 0.85 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3d0h h GLN 531 CO 0.07 0.74 -0.26 0.00 -0.67 0.00 0.00 178.83 178.72 3d0h h ALA 532 N 1.34 1.34 -0.27 3.87 0.00 -0.48 -2.68 119.26 122.39 3d0h h ALA 532 Ca 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3d0h h ALA 532 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3d0h h ALA 532 CO -0.09 0.45 0.05 0.00 0.00 0.00 0.00 179.25 179.66 3d0h n ALA 533 N -2.48 3.20 -3.97 0.00 0.00 0.07 -4.45 120.51 112.87 3d0h n ALA 533 Ca -0.01 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 3d0h n ALA 533 Cb 0.36 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.76 3d0h n ALA 533 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3d0h n LYS 534 N 0.19 -0.53 -3.68 0.00 4.76 -0.96 -4.90 118.16 113.03 3d0h n LYS 534 Ca 0.14 0.21 -0.34 0.00 -2.87 0.00 0.00 58.31 55.45 3d0h n LYS 534 Cb 0.70 -2.85 -0.05 0.00 -1.84 0.00 0.00 35.03 30.99 3d0h n LYS 534 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3d0h s HIS 535 N -3.47 3.55 0.00 2.13 5.65 -0.92 -5.06 115.29 117.17 3d0h s HIS 535 Ca 0.46 0.63 0.00 0.00 0.25 0.00 0.00 55.06 56.40 3d0h s HIS 535 Cb -0.23 -2.04 0.00 0.00 -1.18 0.00 0.00 32.58 29.13 3d0h s HIS 535 CO 0.94 0.54 0.00 0.39 -0.65 0.00 0.00 174.74 175.96 3d0h n GLU 536 N 0.77 0.00 0.00 2.88 4.71 -1.26 -4.93 120.64 122.81 3d0h n GLU 536 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 3d0h n GLU 536 Cb 0.52 -0.45 0.00 0.00 -1.01 0.00 0.00 31.44 30.50 3d0h n GLU 536 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3d0h n GLY 537 N 0.00 1.93 3.68 0.62 0.00 -1.26 -5.07 105.19 105.08 3d0h n GLY 537 Ca 0.00 -0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.46 3d0h n GLY 537 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d0h n PRO 538 N 0.00 2.26 -0.33 1.61 -0.02 -1.26 -4.84 135.00 132.42 3d0h n PRO 538 Ca 0.00 0.82 0.20 0.00 -2.02 0.00 0.00 63.50 62.51 3d0h n PRO 538 Cb 0.00 -2.64 0.45 0.00 -0.02 0.00 0.00 33.50 31.29 3d0h n PRO 538 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3d0h h LEU 539 N 7.59 0.55 -1.74 2.45 5.85 -1.93 0.93 115.31 129.01 3d0h h LEU 539 Ca -0.47 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3d0h h LEU 539 Cb 1.26 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3d0h h LEU 539 CO 0.92 0.10 -0.15 1.12 -0.34 0.00 0.00 178.44 180.09 3d0h h HIS 540 N 0.48 0.00 -0.01 1.25 2.07 -1.88 -1.66 115.15 115.41 3d0h h HIS 540 Ca 0.61 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.13 3d0h h HIS 540 Cb 1.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.35 3d0h h HIS 540 CO -0.00 0.15 0.00 1.63 -3.07 0.00 0.00 177.93 176.64 3d0h n LYS 541 N -3.62 1.21 -2.92 5.12 5.02 0.32 -4.93 118.16 118.37 3d0h n LYS 541 Ca -0.01 -0.31 -0.40 0.00 -2.02 0.00 0.00 58.31 55.57 3d0h n LYS 541 Cb 0.28 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 3d0h n LYS 541 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d0h s ASP 543 N -1.11 3.52 0.00 0.00 3.68 -1.26 -4.63 116.67 116.87 3d0h s ASP 543 Ca 0.37 -1.11 0.23 0.00 2.13 0.00 0.00 52.55 54.17 3d0h s ASP 543 Cb -0.24 -0.92 1.26 0.00 -1.45 0.00 0.00 42.92 41.56 3d0h s ASP 543 CO 0.28 -0.29 1.82 2.30 0.13 0.00 0.00 175.17 179.41 3d0h n ILE 544 N 4.83 0.02 -1.28 4.11 -6.64 -1.26 -4.85 119.36 114.30 3d0h n ILE 544 Ca -0.09 -0.05 -0.37 0.00 -1.77 0.00 0.00 62.75 60.46 3d0h n ILE 544 Cb 0.45 -0.22 0.04 0.00 -1.44 0.00 0.00 39.64 38.47 3d0h n ILE 544 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3d0h n SER 545 N -0.66 -2.30 -0.91 7.28 7.64 -1.26 -1.90 113.62 121.51 3d0h n SER 545 Ca 0.17 0.60 -0.10 0.00 1.01 0.00 0.00 58.87 60.55 3d0h n SER 545 Cb 0.12 -1.06 -0.04 0.00 -1.01 0.00 0.00 64.21 62.21 3d0h n SER 545 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3d0h n ASN 546 N 1.02 -4.56 -3.93 6.43 3.02 -1.25 -4.91 115.26 111.08 3d0h n ASN 546 Ca 0.09 0.26 -0.34 0.00 -0.03 0.00 0.00 54.58 54.56 3d0h n ASN 546 Cb 0.49 -3.57 -0.07 0.00 -0.61 0.00 0.00 39.78 36.02 3d0h n ASN 546 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3d0h n SER 547 N -0.63 4.16 -0.33 6.41 2.88 -0.80 -4.88 113.62 120.43 3d0h n SER 547 Ca -0.10 -3.24 0.16 0.00 -1.33 0.00 0.00 58.87 54.36 3d0h n SER 547 Cb 0.49 -0.95 0.32 0.00 -0.75 0.00 0.00 64.21 63.32 3d0h n SER 547 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3d0h h THR 548 N 3.86 0.07 -0.23 2.46 1.35 -1.73 0.59 112.91 119.28 3d0h h THR 548 Ca 0.17 -0.01 0.06 0.00 -0.55 0.00 0.00 66.41 66.08 3d0h h THR 548 Cb 0.75 0.03 -0.07 0.00 -1.73 0.00 0.00 68.15 67.13 3d0h h THR 548 CO 0.88 0.01 -0.27 -0.33 -0.25 0.00 0.00 175.52 175.56 3d0h h GLU 549 N 0.04 -0.28 -0.19 4.72 3.07 -1.90 1.21 114.58 121.25 3d0h h GLU 549 Ca 0.61 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.46 3d0h h GLU 549 Cb 1.31 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.27 3d0h h GLU 549 CO -0.86 -0.19 -0.02 0.00 -1.40 0.00 0.00 179.01 176.54 3d0h h ALA 550 N 0.69 0.26 -0.10 3.43 0.00 -0.97 -2.32 119.26 120.24 3d0h h ALA 550 Ca 0.13 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3d0h h ALA 550 Cb 0.49 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3d0h h ALA 550 CO -0.40 0.00 -0.40 0.78 0.00 0.00 0.00 179.25 179.24 3d0h h GLY 551 N 0.08 -0.66 0.08 0.00 0.00 0.60 -2.45 103.07 100.73 3d0h h GLY 551 Ca 0.05 0.49 0.13 0.00 0.00 0.00 0.00 47.33 48.00 3d0h h GLY 551 CO 0.01 -0.23 0.16 -1.61 0.00 0.00 0.00 176.54 174.87 3d0h h GLN 552 N -0.49 0.27 0.01 4.80 5.75 0.15 -2.46 115.11 123.14 3d0h h GLN 552 Ca 0.07 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3d0h h GLN 552 Cb 0.62 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 3d0h h GLN 552 CO -0.37 0.18 -0.36 -0.22 -2.65 0.00 0.00 178.83 175.41 3d0h h LYS 553 N 0.28 -0.50 -0.65 1.69 3.64 -0.95 -2.60 116.57 117.47 3d0h h LYS 553 Ca 0.36 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.85 3d0h h LYS 553 Cb 0.57 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 3d0h h LYS 553 CO -0.45 -0.33 0.33 1.25 -2.27 0.00 0.00 179.45 177.98 3d0h h LEU 554 N -0.52 0.44 -0.50 5.20 5.85 -1.13 -2.02 115.31 122.63 3d0h h LEU 554 Ca 0.05 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3d0h h LEU 554 Cb 0.60 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3d0h h LEU 554 CO -0.28 0.27 0.17 0.15 -0.34 0.00 0.00 178.44 178.41 3d0h h PHE 555 N 0.58 0.30 0.00 1.25 3.04 -1.32 0.15 116.94 120.93 3d0h h PHE 555 Ca 0.31 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.29 3d0h h PHE 555 Cb 0.29 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.74 3d0h h PHE 555 CO -0.11 0.09 0.21 -0.91 -2.02 0.00 0.00 178.31 175.58 3d0h h ASN 556 N 0.34 0.00 0.00 0.41 2.35 -0.97 0.20 115.58 117.91 3d0h h ASN 556 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3d0h h ASN 556 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3d0h h ASN 556 CO -0.25 0.00 -1.47 1.15 -1.65 0.00 0.00 177.43 175.21 3d0h n MET 557 N -2.86 0.77 -0.07 0.81 0.00 -0.61 -4.50 117.12 110.67 3d0h n MET 557 Ca -0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 57.70 57.44 3d0h n MET 557 Cb 0.27 -1.30 -0.06 0.00 0.00 0.00 0.00 33.22 32.13 3d0h n MET 557 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3d0h h LEU 558 N 0.00 0.53 0.00 3.17 5.85 0.21 -3.21 115.31 121.86 3d0h h LEU 558 Ca 0.00 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3d0h h LEU 558 Cb 0.58 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3d0h h LEU 558 CO 0.00 0.89 0.00 -2.11 -0.34 0.00 0.00 178.44 176.88 3d0h n ARG 559 N -4.44 0.33 -0.00 1.25 1.85 0.04 -3.28 116.66 112.41 3d0h n ARG 559 Ca -0.05 0.08 0.13 0.00 -1.00 0.00 0.00 57.85 57.01 3d0h n ARG 559 Cb 0.40 -1.50 0.78 0.00 -1.05 0.00 0.00 32.46 31.09 3d0h n ARG 559 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3d0h n LEU 560 N -1.27 0.03 0.00 2.89 4.32 -1.21 -4.56 117.00 117.19 3d0h n LEU 560 Ca 0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 3d0h n LEU 560 Cb 0.17 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 3d0h n LEU 560 CO 0.16 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 3d0h n GLY 561 N 0.92 1.06 0.15 -0.72 0.00 -1.20 -1.19 105.19 104.20 3d0h n GLY 561 Ca 0.20 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 46.02 3d0h n GLY 561 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d0h n LYS 562 N 9.71 1.11 0.27 1.61 4.81 0.81 -3.67 118.16 132.81 3d0h n LYS 562 Ca 0.00 -0.30 0.16 0.00 -0.87 0.00 0.00 58.31 57.30 3d0h n LYS 562 Cb 0.00 -1.49 0.84 0.00 0.02 0.00 0.00 35.03 34.40 3d0h n LYS 562 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3d0h h SER 563 N 0.72 0.00 -3.66 3.14 4.64 -1.30 -3.41 113.55 113.69 3d0h h SER 563 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 3d0h h SER 563 Cb 0.20 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.11 3d0h h SER 563 CO 0.00 0.00 -0.77 -1.61 -0.87 0.00 0.00 176.83 173.58 3d0h s GLU 564 N -3.86 1.98 0.12 4.77 0.41 -1.23 -4.97 118.70 115.91 3d0h s GLU 564 Ca -0.03 -1.09 -0.31 0.00 -0.41 0.00 0.00 54.97 53.13 3d0h s GLU 564 Cb 0.09 -2.22 -0.08 0.00 -1.78 0.00 0.00 34.13 30.15 3d0h s GLU 564 CO 0.28 0.50 1.32 -2.14 -0.49 0.00 0.00 175.26 174.74 3d0h s PRO 565 N -2.12 4.36 0.48 0.39 0.02 -1.26 -4.86 135.00 132.01 3d0h s PRO 565 Ca 0.19 2.00 0.26 0.00 0.02 0.00 0.00 61.00 63.47 3d0h s PRO 565 Cb -0.11 -3.26 1.32 0.00 0.02 0.00 0.00 34.50 32.47 3d0h s PRO 565 CO 0.11 -0.35 1.85 0.11 -0.33 0.00 0.00 177.00 178.40 3d0h h TRP 566 N 6.46 0.26 -0.54 6.54 5.08 -1.93 0.46 115.95 132.28 3d0h h TRP 566 Ca -0.43 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.55 3d0h h TRP 566 Cb 1.21 -0.08 -0.03 0.00 -3.00 0.00 0.00 29.16 27.27 3d0h h TRP 566 CO 0.65 0.05 0.31 1.79 -1.28 0.00 0.00 178.44 179.96 3d0h h THR 567 N 0.18 1.17 0.42 0.12 1.35 -1.86 0.61 112.91 114.89 3d0h h THR 567 Ca 0.48 -0.40 -0.02 0.00 -0.55 0.00 0.00 66.41 65.92 3d0h h THR 567 Cb 1.59 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3d0h h THR 567 CO -0.10 0.18 -0.20 0.25 -0.25 0.00 0.00 175.52 175.39 3d0h h LEU 568 N 0.72 -0.48 -0.81 3.87 7.12 -1.20 -1.51 115.31 123.03 3d0h h LEU 568 Ca 0.19 -0.11 0.13 0.00 0.13 0.00 0.00 57.88 58.22 3d0h h LEU 568 Cb 0.01 0.12 -0.09 0.00 -0.53 0.00 0.00 40.66 40.17 3d0h h LEU 568 CO -0.03 -0.08 0.40 0.00 -0.13 0.00 0.00 178.44 178.59 3d0h h ALA 569 N -0.62 1.18 0.00 1.25 0.00 -1.42 0.74 119.26 120.39 3d0h h ALA 569 Ca -0.06 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3d0h h ALA 569 Cb 0.56 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3d0h h ALA 569 CO 0.09 -0.10 -0.23 1.25 0.00 0.00 0.00 179.25 180.26 3d0h h LEU 570 N 0.59 0.00 -0.32 0.00 5.85 -0.91 -2.15 115.31 118.37 3d0h h LEU 570 Ca 0.43 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.03 3d0h h LEU 570 Cb 0.59 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3d0h h LEU 570 CO -0.35 0.23 -0.58 -0.08 -0.34 0.00 0.00 178.44 177.33 3d0h h GLU 571 N 0.00 0.00 -0.69 1.25 4.81 0.14 -2.55 114.58 117.54 3d0h h GLU 571 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3d0h h GLU 571 Cb 0.45 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3d0h h GLU 571 CO 0.03 0.58 0.30 -0.91 -0.73 0.00 0.00 179.01 178.28 3d0h h ASN 572 N 0.00 0.91 0.01 1.04 2.35 0.00 -1.62 115.58 118.27 3d0h h ASN 572 Ca -0.01 -0.11 -0.25 0.00 -0.55 0.00 0.00 56.30 55.38 3d0h h ASN 572 Cb 1.31 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.41 3d0h h ASN 572 CO 0.08 0.79 -1.35 1.33 -1.65 0.00 0.00 177.43 176.63 3d0h n VAL 573 N -4.32 1.55 -0.01 2.81 0.24 -1.15 -4.67 118.33 112.79 3d0h n VAL 573 Ca 0.06 -0.08 0.07 0.00 -2.04 0.00 0.00 64.34 62.36 3d0h n VAL 573 Cb 0.16 -2.02 -0.12 0.00 -1.47 0.00 0.00 33.84 30.39 3d0h n VAL 573 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3d0h n VAL 574 N -4.37 0.07 -1.38 3.34 0.24 -0.96 -4.88 118.33 110.40 3d0h n VAL 574 Ca -0.33 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 3d0h n VAL 574 Cb 0.71 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 3d0h n VAL 574 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d0h n GLY 575 N 1.64 0.11 3.60 7.63 0.00 -0.61 -4.97 105.19 112.59 3d0h n GLY 575 Ca -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 3d0h n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d0h s ALA 576 N -2.92 -2.15 0.36 4.61 0.00 -1.26 -4.96 121.76 115.44 3d0h s ALA 576 Ca 0.00 2.30 0.22 0.00 0.00 0.00 0.00 51.96 54.48 3d0h s ALA 576 Cb 0.00 -1.74 1.13 0.00 0.00 0.00 0.00 23.12 22.51 3d0h s ALA 576 CO 0.00 -0.74 1.96 0.87 0.00 0.00 0.00 175.76 177.85 3d0h h LYS 577 N 7.45 0.00 0.00 0.00 1.57 -1.91 -3.01 116.57 120.68 3d0h h LYS 577 Ca -0.22 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.01 3d0h h LYS 577 Cb 1.14 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.33 3d0h h LYS 577 CO 0.12 0.21 -0.46 -1.71 -0.57 0.00 0.00 179.45 177.05 3d0h n ASN 578 N -3.77 1.50 -4.86 0.86 5.15 -1.26 -4.51 115.26 108.37 3d0h n ASN 578 Ca -0.02 -3.13 -0.31 0.00 -0.60 0.00 0.00 54.58 50.52 3d0h n ASN 578 Cb 0.32 0.92 -0.05 0.00 -0.53 0.00 0.00 39.78 40.45 3d0h n ASN 578 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3d0h s MET 579 N -3.56 3.87 0.00 1.20 0.23 -1.26 -4.99 119.30 114.80 3d0h s MET 579 Ca 0.18 0.53 0.00 0.00 -1.03 0.00 0.00 55.69 55.37 3d0h s MET 579 Cb 0.01 -2.43 -0.00 0.00 -1.53 0.00 0.00 34.83 30.88 3d0h s MET 579 CO 0.12 0.07 -0.02 1.21 -2.03 0.00 0.00 175.02 174.38 3d0h s ASN 580 N -2.74 0.18 0.09 -1.18 3.04 -1.26 -5.04 114.94 108.03 3d0h s ASN 580 Ca 0.52 -0.10 0.25 0.00 0.04 0.00 0.00 52.86 53.57 3d0h s ASN 580 Cb -0.10 0.00 0.48 0.00 -1.54 0.00 0.00 41.25 40.09 3d0h s ASN 580 CO 0.25 -0.03 1.42 0.55 -3.04 0.00 0.00 177.10 176.25 3d0h n VAL 581 N 2.81 0.28 -0.13 -5.21 3.14 -1.26 -4.37 118.33 113.59 3d0h n VAL 581 Ca -0.14 -0.20 -0.07 0.00 -2.96 0.00 0.00 64.34 60.97 3d0h n VAL 581 Cb 0.59 -0.12 -0.01 0.00 -1.06 0.00 0.00 33.84 33.24 3d0h n VAL 581 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3d0h h ARG 582 N 0.00 -0.22 0.26 1.45 9.65 -1.98 -2.59 114.38 120.95 3d0h h ARG 582 Ca 0.00 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3d0h h ARG 582 Cb 0.68 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.28 3d0h h ARG 582 CO 0.00 -0.15 -0.34 -1.35 2.80 0.00 0.00 179.97 180.94 3d0h h PRO 583 N -0.23 -0.63 -0.93 0.20 0.11 -1.90 -1.28 132.00 127.35 3d0h h PRO 583 Ca 0.19 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.47 3d0h h PRO 583 Cb 0.53 0.14 -0.14 0.00 0.11 0.00 0.00 31.00 31.64 3d0h h PRO 583 CO -0.56 -0.42 -0.44 1.25 -0.21 0.00 0.00 178.00 177.63 3d0h h LEU 584 N -0.65 -1.59 -1.24 2.35 6.46 -1.82 0.12 115.31 118.93 3d0h h LEU 584 Ca -0.00 0.30 0.17 0.00 -0.12 0.00 0.00 57.88 58.23 3d0h h LEU 584 Cb 0.62 0.78 -0.08 0.00 -0.73 0.00 0.00 40.66 41.25 3d0h h LEU 584 CO -0.11 -0.28 0.60 -0.07 -0.62 0.00 0.00 178.44 177.95 3d0h h LEU 585 N -0.04 0.65 -0.08 2.25 -0.00 -0.86 -2.27 115.31 114.97 3d0h h LEU 585 Ca 0.28 0.06 -0.15 0.00 -0.00 0.00 0.00 57.88 58.07 3d0h h LEU 585 Cb 0.55 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3d0h h LEU 585 CO -0.93 0.29 -0.54 0.78 -0.00 0.00 0.00 178.44 178.05 3d0h h ASN 586 N 0.67 0.60 -0.39 -0.43 -0.26 -0.07 -1.75 115.58 113.95 3d0h h ASN 586 Ca 0.49 -0.67 0.11 0.00 -0.56 0.00 0.00 56.30 55.67 3d0h h ASN 586 Cb 0.86 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.93 3d0h h ASN 586 CO -0.25 1.18 0.49 0.22 -1.06 0.00 0.00 177.43 178.01 3d0h h TYR 587 N 0.07 0.00 -0.05 1.19 3.20 -0.59 -1.79 116.97 119.00 3d0h h TYR 587 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3d0h h TYR 587 Cb 1.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 3d0h h TYR 587 CO 0.12 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.83 3d0h n PHE 588 N -3.54 0.05 -0.24 -3.82 3.01 -0.96 -4.61 117.46 107.35 3d0h n PHE 588 Ca 0.07 -0.06 0.04 0.00 1.01 0.00 0.00 57.45 58.51 3d0h n PHE 588 Cb 0.65 -0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.28 3d0h n PHE 588 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3d0h h GLU 589 N 2.03 0.33 -0.40 -1.08 4.39 -0.40 0.29 114.58 119.75 3d0h h GLU 589 Ca 0.00 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3d0h h GLU 589 Cb 0.47 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3d0h h GLU 589 CO 0.00 0.22 0.24 -1.35 -1.16 0.00 0.00 179.01 176.96 3d0h h PRO 590 N 0.34 0.47 -0.03 2.33 0.11 -1.84 -0.01 132.00 133.38 3d0h h PRO 590 Ca 0.39 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.39 3d0h h PRO 590 Cb 0.61 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3d0h h PRO 590 CO -0.43 0.31 -0.38 1.25 -0.21 0.00 0.00 178.00 178.54 3d0h h LEU 591 N 0.48 0.05 -0.40 2.35 5.85 -1.68 -0.68 115.31 121.30 3d0h h LEU 591 Ca 0.15 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3d0h h LEU 591 Cb -0.01 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3d0h h LEU 591 CO -0.07 0.43 0.08 0.15 -0.34 0.00 0.00 178.44 178.70 3d0h h PHE 592 N 0.05 0.68 0.00 1.25 3.57 0.50 -0.04 116.94 122.94 3d0h h PHE 592 Ca 0.00 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.31 3d0h h PHE 592 Cb 0.69 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3d0h h PHE 592 CO 0.00 0.66 -0.51 1.79 -2.23 0.00 0.00 178.31 178.03 3d0h h THR 593 N 0.50 0.90 0.12 4.41 1.35 -0.60 -1.19 112.91 118.40 3d0h h THR 593 Ca 0.12 -2.16 -0.29 0.00 -0.55 0.00 0.00 66.41 63.53 3d0h h THR 593 Cb 0.34 2.36 0.03 0.00 -1.73 0.00 0.00 68.15 69.15 3d0h h THR 593 CO 0.00 0.49 -1.23 -0.25 -0.25 0.00 0.00 175.52 174.29 3d0h h TRP 594 N 0.00 0.93 0.45 4.73 7.01 -1.12 -3.00 115.95 124.95 3d0h h TRP 594 Ca -0.01 -0.59 -0.01 0.00 2.11 0.00 0.00 58.89 60.40 3d0h h TRP 594 Cb 1.32 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.29 3d0h h TRP 594 CO 0.00 1.43 -0.39 -0.07 -2.79 0.00 0.00 178.44 176.62 3d0h h LEU 595 N 0.25 -1.05 -0.93 0.65 3.38 -0.97 -2.11 115.31 114.54 3d0h h LEU 595 Ca -0.18 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.06 3d0h h LEU 595 Cb 1.90 0.34 -0.18 0.00 0.09 0.00 0.00 40.66 42.82 3d0h h LEU 595 CO 0.23 -0.56 -0.22 0.29 0.09 0.00 0.00 178.44 178.27 3d0h n LYS 596 N -5.50 -0.08 0.01 1.13 5.02 -0.46 -0.70 118.16 117.59 3d0h n LYS 596 Ca -0.11 1.44 -0.00 0.00 -2.02 0.00 0.00 58.31 57.62 3d0h n LYS 596 Cb 0.40 -2.16 -0.00 0.00 -0.02 0.00 0.00 35.03 33.24 3d0h n LYS 596 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3d0h h ASP 597 N 0.00 -0.03 -0.69 4.39 3.58 -1.42 -3.19 116.42 119.07 3d0h h ASP 597 Ca 0.45 0.00 0.26 0.00 0.42 0.00 0.00 57.03 58.16 3d0h h ASP 597 Cb 0.70 0.01 -0.12 0.00 1.72 0.00 0.00 39.33 41.63 3d0h h ASP 597 CO -0.95 -0.02 0.27 0.00 -2.88 0.00 0.00 179.24 175.66 3d0h n GLN 598 N -2.08 -0.04 0.00 0.28 1.13 0.12 0.19 117.38 116.97 3d0h n GLN 598 Ca -0.00 0.97 0.11 0.00 -1.94 0.00 0.00 57.00 56.14 3d0h n GLN 598 Cb 0.01 -1.68 0.67 0.00 0.11 0.00 0.00 30.24 29.35 3d0h n GLN 598 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3d0h n ASN 599 N -4.65 0.00 0.34 1.08 5.03 -0.31 -3.86 115.26 112.88 3d0h n ASN 599 Ca 0.23 -0.87 0.20 0.00 0.87 0.00 0.00 54.58 55.01 3d0h n ASN 599 Cb 0.79 0.00 1.04 0.00 -1.02 0.00 0.00 39.78 40.59 3d0h n ASN 599 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 3d0h h LYS 600 N 0.00 0.00 -0.34 3.52 2.10 0.19 0.66 116.57 122.70 3d0h h LYS 600 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 3d0h h LYS 600 Cb 0.00 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.14 3d0h h LYS 600 CO 0.00 0.00 -0.62 0.09 -2.00 0.00 0.00 179.45 176.92 3d0h n ASN 601 N -3.01 3.17 -4.03 7.07 5.03 -1.25 -5.02 115.26 117.21 3d0h n ASN 601 Ca -0.02 -3.84 -0.09 0.00 0.87 0.00 0.00 54.58 51.50 3d0h n ASN 601 Cb 0.21 -0.45 -0.11 0.00 -1.02 0.00 0.00 39.78 38.41 3d0h n ASN 601 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3d0h s SER 602 N -3.37 0.43 0.02 6.41 0.01 0.22 -5.12 113.70 112.31 3d0h s SER 602 Ca 0.44 -0.70 -0.29 0.00 1.31 0.00 0.00 55.95 56.71 3d0h s SER 602 Cb 0.39 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 3d0h s SER 602 CO -0.02 -0.40 0.95 0.12 0.41 0.00 0.00 173.24 174.30 3d0h s PHE 603 N -2.37 3.69 -0.22 2.43 5.99 -1.26 -4.99 117.98 121.25 3d0h s PHE 603 Ca -0.06 1.68 -0.06 0.00 0.00 0.00 0.00 56.93 58.49 3d0h s PHE 603 Cb -0.03 -3.07 -0.02 0.00 0.00 0.00 0.00 43.02 39.89 3d0h s PHE 603 CO -0.04 0.06 0.02 0.08 -0.00 0.00 0.00 175.22 175.34 3d0h s VAL 604 N 0.72 4.02 0.00 3.12 1.01 -1.26 -4.81 120.40 123.20 3d0h s VAL 604 Ca 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3d0h s VAL 604 Cb -0.21 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3d0h s VAL 604 CO 0.27 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3d0h n GLY 605 N 4.52 -0.59 3.47 4.51 0.00 -1.26 -5.07 105.19 110.75 3d0h n GLY 605 Ca -0.17 -2.26 -0.16 0.00 0.00 0.00 0.00 46.02 43.43 3d0h n GLY 605 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3d0h s TRP 606 N -0.72 1.19 -0.14 1.61 -2.14 -1.26 -4.77 118.94 112.71 3d0h s TRP 606 Ca 0.00 -1.37 0.02 0.00 2.66 0.00 0.00 56.10 57.41 3d0h s TRP 606 Cb 0.00 -0.16 0.01 0.00 -3.10 0.00 0.00 33.47 30.22 3d0h s TRP 606 CO 0.00 -1.13 -0.20 0.45 -2.66 0.00 0.00 176.95 173.41 3d0h s SER 607 N -3.27 2.97 0.00 -2.66 0.15 -0.07 -4.97 113.70 105.86 3d0h s SER 607 Ca 0.32 -0.57 0.08 0.00 0.70 0.00 0.00 55.95 56.47 3d0h s SER 607 Cb -0.00 -1.37 0.37 0.00 -1.71 0.00 0.00 66.02 63.31 3d0h s SER 607 CO 0.22 0.05 1.13 0.35 1.20 0.00 0.00 173.24 176.20 3d0h n THR 608 N 4.19 0.97 0.02 6.45 -2.24 -1.26 -2.94 114.28 119.47 3d0h n THR 608 Ca -0.20 0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 3d0h n THR 608 Cb 0.51 -1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 67.54 3d0h n THR 608 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3d0h n ASP 609 N -1.32 0.84 -4.82 3.42 10.43 -1.26 -4.93 116.55 118.91 3d0h n ASP 609 Ca 0.03 0.37 -0.34 0.00 2.57 0.00 0.00 54.79 57.43 3d0h n ASP 609 Cb 0.07 0.16 -0.07 0.00 1.84 0.00 0.00 41.12 43.12 3d0h n ASP 609 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3d0h s TRP 610 N -2.89 3.42 -0.09 1.24 -0.00 -1.15 -5.07 118.94 114.40 3d0h s TRP 610 Ca -0.03 1.57 -0.26 0.00 -0.00 0.00 0.00 56.10 57.38 3d0h s TRP 610 Cb 0.09 -2.80 0.06 0.00 -0.00 0.00 0.00 33.47 30.81 3d0h s TRP 610 CO 0.81 0.02 0.59 -1.54 -0.00 0.00 0.00 176.95 176.84 3d0h s SER 611 N -2.04 -0.57 0.37 5.86 1.04 -1.26 -4.65 113.70 112.45 3d0h s SER 611 Ca 0.57 0.72 0.27 0.00 0.48 0.00 0.00 55.95 57.99 3d0h s SER 611 Cb -0.12 0.67 0.85 0.00 0.10 0.00 0.00 66.02 67.52 3d0h s SER 611 CO 0.16 -0.48 1.77 -0.65 0.98 0.00 0.00 173.24 175.02 3d0h h PRO 612 N 3.68 0.00 0.08 4.02 0.11 -1.82 -3.32 132.00 134.75 3d0h h PRO 612 Ca -0.28 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.48 3d0h h PRO 612 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3d0h h PRO 612 CO 0.33 0.00 -1.98 2.48 -0.21 0.00 0.00 178.00 178.62 3d0h n TYR 613 N -2.69 0.98 -2.21 0.65 0.18 -1.24 -4.41 117.16 108.42 3d0h n TYR 613 Ca 0.03 0.24 -0.42 0.00 1.88 0.00 0.00 57.90 59.63 3d0h n TYR 613 Cb 0.39 -1.12 0.00 0.00 -0.38 0.00 0.00 39.34 38.23 3d0h n TYR 613 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3d0h n ALA 614 N -3.17 5.21 -1.02 -3.48 0.00 -1.25 -5.07 120.51 111.73 3d0h n ALA 614 Ca -0.35 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 48.94 3d0h n ALA 614 Cb 0.97 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 17.23 3d0h n ALA 614 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25