#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 -0.06 0.44 -2.24 -1.26 -4.85 114.28 106.31 3d0h n THR 20 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3d0h n THR 20 Cb 0.00 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 67.53 3d0h n THR 20 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3d0h n THR 21 N -0.71 1.55 0.40 4.28 -1.04 -1.26 -3.81 114.28 113.68 3d0h n THR 21 Ca 0.00 -0.76 -0.19 0.00 -2.04 0.00 0.00 64.05 61.06 3d0h n THR 21 Cb 0.00 -1.01 -0.09 0.00 -1.82 0.00 0.00 70.33 67.41 3d0h n THR 21 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3d0h h GLU 22 N 0.01 -0.98 -1.00 -2.82 4.81 -1.94 -2.49 114.58 110.16 3d0h h GLU 22 Ca -0.44 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.02 3d0h h GLU 22 Cb 2.08 0.22 -0.10 0.00 0.63 0.00 0.00 28.75 31.59 3d0h h GLU 22 CO 0.04 -0.66 0.62 1.49 -0.73 0.00 0.00 179.01 179.77 3d0h h GLU 23 N -1.02 0.83 -0.30 1.92 4.57 -1.94 0.15 114.58 118.79 3d0h h GLU 23 Ca -0.10 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 3d0h h GLU 23 Cb 0.80 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 3d0h h GLU 23 CO 0.14 0.55 0.01 -0.07 -1.18 0.00 0.00 179.01 178.46 3d0h h LEU 24 N 0.86 0.42 -0.06 1.64 3.38 -1.64 -3.21 115.31 116.69 3d0h h LEU 24 Ca 0.54 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.37 3d0h h LEU 24 Cb 0.73 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3d0h h LEU 24 CO -0.32 0.48 -0.25 0.00 0.09 0.00 0.00 178.44 178.43 3d0h h ALA 25 N 1.58 0.12 -0.74 1.53 0.00 -0.25 -3.00 119.26 118.49 3d0h h ALA 25 Ca 0.10 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.73 3d0h h ALA 25 Cb 0.27 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.92 3d0h h ALA 25 CO 0.01 0.12 -0.30 0.87 0.00 0.00 0.00 179.25 179.95 3d0h h LYS 26 N -0.22 -0.07 -0.46 0.00 1.79 -1.42 -0.01 116.57 116.17 3d0h h LYS 26 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3d0h h LYS 26 Cb 0.89 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 3d0h h LYS 26 CO 0.05 -0.05 0.23 1.15 -1.08 0.00 0.00 179.45 179.76 3d0h h THR 27 N -0.07 1.15 0.51 -0.16 2.02 -1.60 0.09 112.91 114.85 3d0h h THR 27 Ca 0.31 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3d0h h THR 27 Cb 0.57 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3d0h h THR 27 CO -0.79 0.18 -0.25 0.15 0.37 0.00 0.00 175.52 175.18 3d0h h PHE 28 N 0.64 -0.64 -1.01 3.16 3.04 -0.91 -2.10 116.94 119.14 3d0h h PHE 28 Ca 0.16 -0.02 0.22 0.00 3.98 0.00 0.00 57.97 62.32 3d0h h PHE 28 Cb 0.05 0.21 -0.12 0.00 2.56 0.00 0.00 35.95 38.66 3d0h h PHE 28 CO 0.00 -0.32 0.60 -0.07 -2.02 0.00 0.00 178.31 176.51 3d0h h LEU 29 N -1.06 0.72 0.87 0.59 -0.00 -1.04 0.48 115.31 115.87 3d0h h LEU 29 Ca -0.07 0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 3d0h h LEU 29 Cb 0.60 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 3d0h h LEU 29 CO 0.12 0.18 -0.47 -0.33 -0.00 0.00 0.00 178.44 177.94 3d0h h GLU 30 N 0.66 -1.19 -0.85 1.13 5.08 -0.96 0.62 114.58 119.07 3d0h h GLU 30 Ca 0.62 0.08 0.17 0.00 -1.00 0.00 0.00 59.36 59.22 3d0h h GLU 30 Cb 1.08 0.27 -0.06 0.00 0.50 0.00 0.00 28.75 30.54 3d0h h GLU 30 CO -0.43 -0.79 0.56 1.15 -1.00 0.00 0.00 179.01 178.49 3d0h h THR 31 N -1.24 0.76 0.79 1.13 2.02 -0.72 -2.35 112.91 113.30 3d0h h THR 31 Ca -0.12 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 3d0h h THR 31 Cb 0.97 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3d0h h THR 31 CO 0.16 0.09 -0.38 0.15 0.37 0.00 0.00 175.52 175.91 3d0h h PHE 32 N 0.50 -0.98 0.00 3.16 3.04 -0.47 -2.77 116.94 119.42 3d0h h PHE 32 Ca 0.43 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.36 3d0h h PHE 32 Cb 0.93 0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.76 3d0h h PHE 32 CO -0.00 -0.60 0.00 0.09 -2.02 0.00 0.00 178.31 175.78 3d0h n ASN 33 N -5.48 0.00 0.06 0.41 5.03 0.17 0.44 115.26 115.89 3d0h n ASN 33 Ca -0.13 0.81 0.21 0.00 0.87 0.00 0.00 54.58 56.34 3d0h n ASN 33 Cb 0.42 -0.37 0.69 0.00 -1.02 0.00 0.00 39.78 39.50 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 0.00 0.09 3.10 -1.99 -1.60 0.17 116.97 116.74 3d0h h TYR 34 Ca 0.00 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.43 3d0h h TYR 34 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 3d0h h TYR 34 CO -0.70 0.00 -1.58 1.49 -0.00 0.00 0.00 178.16 177.38 3d0h h GLU 35 N 0.00 0.19 -0.61 4.88 4.57 -0.42 -3.33 114.58 119.86 3d0h h GLU 35 Ca 0.23 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3d0h h GLU 35 Cb 1.38 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 30.05 3d0h h GLU 35 CO -0.00 1.16 0.33 0.00 -1.18 0.00 0.00 179.01 179.32 3d0h h ALA 36 N -0.11 0.80 -0.89 2.92 0.00 0.18 -2.53 119.26 119.63 3d0h h ALA 36 Ca -0.36 0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.73 3d0h h ALA 36 Cb 1.75 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 3d0h h ALA 36 CO 0.00 0.01 0.57 1.96 0.00 0.00 0.00 179.25 181.80 3d0h h GLN 37 N 0.63 0.59 0.17 0.00 4.20 -0.89 0.74 115.11 120.55 3d0h h GLN 37 Ca 0.27 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.70 3d0h h GLN 37 Cb 0.15 -0.13 0.03 0.00 0.30 0.00 0.00 27.48 27.83 3d0h h GLN 37 CO -0.17 0.39 -1.06 0.93 -0.67 0.00 0.00 178.83 178.26 3d0h h GLU 38 N 0.61 0.41 -0.07 1.46 4.39 -1.60 -2.32 114.58 117.46 3d0h h GLU 38 Ca 0.45 -0.67 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 3d0h h GLU 38 Cb 0.84 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3d0h h GLU 38 CO -0.20 1.32 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.87 3d0h h LEU 39 N -0.14 0.15 -0.41 1.33 3.38 -0.98 -2.46 115.31 116.18 3d0h h LEU 39 Ca -0.18 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.45 3d0h h LEU 39 Cb 1.83 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.48 3d0h h LEU 39 CO 0.20 0.51 0.12 -1.28 0.09 0.00 0.00 178.44 178.08 3d0h h SER 40 N -0.21 0.09 0.29 -0.43 0.87 0.36 -1.76 113.55 112.76 3d0h h SER 40 Ca 0.02 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3d0h h SER 40 Cb 0.45 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3d0h h SER 40 CO 0.01 0.09 -0.14 0.22 -0.53 0.00 0.00 176.83 176.48 3d0h h TYR 41 N 0.27 -0.36 -1.07 2.24 3.20 -1.44 -1.81 116.97 118.00 3d0h h TYR 41 Ca 0.20 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.34 3d0h h TYR 41 Cb 0.21 0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.50 3d0h h TYR 41 CO -0.17 -0.22 0.70 1.96 -1.64 0.00 0.00 178.16 178.79 3d0h h GLN 42 N -0.39 0.32 -0.08 1.82 4.20 -1.08 -0.62 115.11 119.28 3d0h h GLN 42 Ca -0.04 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3d0h h GLN 42 Cb 0.30 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3d0h h GLN 42 CO 0.06 0.21 -0.33 1.03 -0.67 0.00 0.00 178.83 179.14 3d0h h SER 43 N 0.33 0.42 -0.40 1.46 0.87 -0.78 -2.36 113.55 113.10 3d0h h SER 43 Ca 0.60 -0.64 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 3d0h h SER 43 Cb 1.65 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.46 3d0h h SER 43 CO -0.27 0.99 0.13 0.28 -0.53 0.00 0.00 176.83 177.43 3d0h h SER 44 N -0.11 0.58 -0.93 6.23 0.02 -0.52 0.34 113.55 119.15 3d0h h SER 44 Ca -0.02 -0.20 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3d0h h SER 44 Cb 0.97 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 3d0h h SER 44 CO 0.07 0.62 0.61 0.58 -1.14 0.00 0.00 176.83 177.57 3d0h h VAL 45 N 0.50 1.10 0.21 2.27 2.07 -1.20 0.55 116.25 121.74 3d0h h VAL 45 Ca 0.13 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3d0h h VAL 45 Cb 0.25 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3d0h h VAL 45 CO -0.00 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.68 3d0h h ALA 46 N 1.48 -0.78 -0.88 1.67 0.00 -1.01 -1.97 119.26 117.78 3d0h h ALA 46 Ca 0.39 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.37 3d0h h ALA 46 Cb 0.14 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 3d0h h ALA 46 CO -0.14 -0.76 -0.37 0.43 0.00 0.00 0.00 179.25 178.41 3d0h n SER 47 N -3.01 -0.63 0.10 0.00 7.64 0.11 -1.97 113.62 115.86 3d0h n SER 47 Ca -0.04 1.54 -0.07 0.00 1.01 0.00 0.00 58.87 61.31 3d0h n SER 47 Cb 0.11 -0.33 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 3d0h n SER 47 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3d0h h TRP 48 N 0.00 -0.53 -0.99 1.43 2.91 0.05 -1.44 115.95 117.39 3d0h h TRP 48 Ca 0.28 0.01 0.34 0.00 1.13 0.00 0.00 58.89 60.64 3d0h h TRP 48 Cb 0.50 0.21 -0.16 0.00 -0.51 0.00 0.00 29.16 29.20 3d0h h TRP 48 CO -0.79 -0.24 0.48 -0.91 -1.03 0.00 0.00 178.44 175.95 3d0h h ASN 49 N -0.35 0.32 -0.18 2.65 -0.26 -0.69 0.84 115.58 117.90 3d0h h ASN 49 Ca -0.02 0.22 -0.00 0.00 -0.56 0.00 0.00 56.30 55.94 3d0h h ASN 49 Cb 0.31 0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 3d0h h ASN 49 CO -0.04 -0.25 0.10 0.22 -1.06 0.00 0.00 177.43 176.40 3d0h h TYR 50 N 0.19 0.26 0.00 1.19 3.20 -1.14 0.13 116.97 120.80 3d0h h TYR 50 Ca 0.74 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.57 3d0h h TYR 50 Cb 1.75 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.93 3d0h h TYR 50 CO -0.08 0.25 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.65 3d0h h ASN 51 N 0.19 0.00 0.59 -2.11 4.21 0.16 -2.82 115.58 115.80 3d0h h ASN 51 Ca 0.06 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 3d0h h ASN 51 Cb 0.08 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.28 3d0h h ASN 51 CO -0.01 0.14 -1.43 0.35 -1.29 0.00 0.00 177.43 175.19 3d0h n THR 52 N -3.27 0.43 -3.47 2.81 -2.24 0.62 -2.46 114.28 106.70 3d0h n THR 52 Ca 0.01 -0.54 -0.24 0.00 -2.27 0.00 0.00 64.05 61.01 3d0h n THR 52 Cb 0.40 -0.23 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 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 -5.06 2.66 -1.50 3.42 3.84 0.44 -4.45 114.94 114.29 3d0h s ASN 53 Ca -0.04 -1.12 -0.13 0.00 0.21 0.00 0.00 52.86 51.78 3d0h s ASN 53 Cb 0.11 0.03 0.01 0.00 -0.55 0.00 0.00 41.25 40.86 3d0h s ASN 53 CO 0.84 -0.41 2.41 -0.38 -2.79 0.00 0.00 177.10 176.77 3d0h n ILE 54 N 5.19 3.69 -3.55 -5.21 5.41 -0.97 -4.05 119.36 119.86 3d0h n ILE 54 Ca -0.03 -2.92 -0.23 0.00 1.00 0.00 0.00 62.75 60.57 3d0h n ILE 54 Cb 0.44 -2.61 -0.01 0.00 -0.71 0.00 0.00 39.64 36.75 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 2.90 5.08 0.14 1.39 2.01 -1.26 -4.97 115.64 120.92 3d0h s THR 55 Ca 0.53 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.78 3d0h s THR 55 Cb 0.15 -3.83 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 3d0h s THR 55 CO -0.08 -0.47 1.46 -0.08 -0.69 0.00 0.00 174.62 174.76 3d0h h GLU 56 N 0.87 0.89 0.00 4.92 4.57 -1.99 -1.85 114.58 121.99 3d0h h GLU 56 Ca -0.50 -0.50 -0.05 0.00 -1.18 0.00 0.00 59.36 57.12 3d0h h GLU 56 Cb 1.22 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 3d0h h GLU 56 CO 0.61 1.15 -0.24 1.05 -1.18 0.00 0.00 179.01 180.40 3d0h h GLU 57 N 0.71 0.00 -0.00 1.92 4.11 -1.98 -2.42 114.58 116.91 3d0h h GLU 57 Ca 0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.40 3d0h h GLU 57 Cb 1.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 3d0h h GLU 57 CO 0.11 0.24 -0.26 -0.91 0.07 0.00 0.00 179.01 178.26 3d0h h ASN 58 N 0.00 0.23 0.09 3.06 4.21 -1.85 -2.96 115.58 118.35 3d0h h ASN 58 Ca -0.00 -0.77 -0.00 0.00 1.21 0.00 0.00 56.30 56.74 3d0h h ASN 58 Cb 0.48 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.61 3d0h h ASN 58 CO 0.03 0.97 -0.00 1.62 -1.29 0.00 0.00 177.43 178.76 3d0h h VAL 59 N -0.48 0.00 0.00 2.81 3.04 -1.22 1.00 116.25 121.40 3d0h h VAL 59 Ca -0.03 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3d0h h VAL 59 Cb 1.01 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 3d0h h VAL 59 CO 0.05 0.00 -0.00 -0.61 -1.01 0.00 0.00 177.57 176.00 3d0h h GLN 60 N 0.00 -0.00 -0.05 4.17 5.75 -1.44 -3.24 115.11 120.30 3d0h h GLN 60 Ca -0.00 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 3d0h h GLN 60 Cb 0.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3d0h h GLN 60 CO 0.00 0.75 -0.76 -0.91 -2.65 0.00 0.00 178.83 175.26 3d0h h ASN 61 N -0.75 0.41 -0.98 -0.69 2.35 -1.19 -2.46 115.58 112.27 3d0h h ASN 61 Ca -0.00 -0.28 0.24 0.00 -0.55 0.00 0.00 56.30 55.71 3d0h h ASN 61 Cb 0.75 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.93 3d0h h ASN 61 CO 0.00 1.03 0.65 -0.03 -1.65 0.00 0.00 177.43 177.42 3d0h h MET 62 N 0.22 0.35 0.06 0.81 4.05 -0.96 -0.65 114.93 118.80 3d0h h MET 62 Ca -0.03 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3d0h h MET 62 Cb 1.34 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3d0h h MET 62 CO 0.13 0.23 -0.03 -0.91 0.23 0.00 0.00 176.91 176.56 3d0h h ASN 63 N 0.36 -0.07 -0.31 1.39 4.21 -1.53 -3.01 115.58 116.62 3d0h h ASN 63 Ca 0.52 0.00 0.03 0.00 1.21 0.00 0.00 56.30 58.06 3d0h h ASN 63 Cb 1.40 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 38.59 3d0h h ASN 63 CO -0.21 0.12 -0.18 0.59 -1.29 0.00 0.00 177.43 176.47 3d0h n ASN 64 N -3.18 -0.33 -0.33 5.81 3.02 -0.95 0.63 115.26 119.94 3d0h n ASN 64 Ca -0.01 0.79 -0.04 0.00 -0.03 0.00 0.00 54.58 55.29 3d0h n ASN 64 Cb 0.03 -0.19 0.08 0.00 -0.61 0.00 0.00 39.78 39.09 3d0h n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d0h h ALA 65 N -0.09 1.13 0.00 5.41 0.00 -1.31 -0.10 119.26 124.31 3d0h h ALA 65 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3d0h h ALA 65 Cb 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3d0h h ALA 65 CO -0.29 0.65 -0.29 0.78 0.00 0.00 0.00 179.25 180.10 3d0h h GLY 66 N 1.24 0.00 0.09 0.00 0.00 -0.38 -2.64 103.07 101.37 3d0h h GLY 66 Ca 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 3d0h h GLY 66 CO -0.05 0.00 -0.00 -0.55 0.00 0.00 0.00 176.54 175.94 3d0h h ASP 67 N 0.00 -0.00 -0.50 0.19 3.32 0.20 -1.69 116.42 117.94 3d0h h ASP 67 Ca -0.00 -0.87 0.10 0.00 0.02 0.00 0.00 57.03 56.27 3d0h h ASP 67 Cb 0.60 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 3d0h h ASP 67 CO 0.04 0.89 -0.19 0.11 -1.72 0.00 0.00 179.24 178.37 3d0h h LYS 68 N -0.92 -0.07 0.28 3.56 1.57 -1.32 0.36 116.57 120.04 3d0h h LYS 68 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d0h h LYS 68 Cb 0.88 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 3d0h h LYS 68 CO 0.00 -0.05 -0.49 2.35 -0.57 0.00 0.00 179.45 180.69 3d0h h TRP 69 N -0.07 -1.40 -0.95 -1.35 -0.00 -1.53 0.75 115.95 111.41 3d0h h TRP 69 Ca 0.24 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 59.20 3d0h h TRP 69 Cb 0.44 0.57 -0.06 0.00 -0.00 0.00 0.00 29.16 30.12 3d0h h TRP 69 CO -0.47 -0.60 0.62 0.66 -0.00 0.00 0.00 178.44 178.65 3d0h h SER 70 N -0.83 1.01 0.66 2.65 4.64 -1.01 0.17 113.55 120.84 3d0h h SER 70 Ca -0.03 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 3d0h h SER 70 Cb 0.77 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 3d0h h SER 70 CO -0.18 0.68 -0.53 0.00 -0.87 0.00 0.00 176.83 175.93 3d0h h ALA 71 N 1.46 1.02 -0.00 5.18 0.00 0.22 -1.89 119.26 125.24 3d0h h ALA 71 Ca 0.38 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 3d0h h ALA 71 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3d0h h ALA 71 CO -0.13 0.66 -0.93 0.35 0.00 0.00 0.00 179.25 179.20 3d0h h PHE 72 N 0.00 0.59 -0.03 0.00 3.57 0.15 -2.79 116.94 118.44 3d0h h PHE 72 Ca -0.01 -0.32 0.01 0.00 3.53 0.00 0.00 57.97 61.18 3d0h h PHE 72 Cb 1.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3d0h h PHE 72 CO 0.00 1.14 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.14 3d0h h LEU 73 N 0.23 -0.04 0.31 0.59 3.38 -0.35 -0.41 115.31 119.02 3d0h h LEU 73 Ca -0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3d0h h LEU 73 Cb 1.57 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 3d0h h LEU 73 CO 0.16 -0.01 -0.35 0.50 0.09 0.00 0.00 178.44 178.83 3d0h h LYS 74 N -0.00 -0.64 -0.90 1.13 3.11 -1.41 0.40 116.57 118.24 3d0h h LYS 74 Ca 0.02 0.04 0.24 0.00 -2.81 0.00 0.00 60.65 58.14 3d0h h LYS 74 Cb 0.03 0.15 -0.17 0.00 -1.00 0.00 0.00 32.23 31.24 3d0h h LYS 74 CO -0.03 -0.43 -0.02 -1.91 -2.81 0.00 0.00 179.45 174.25 3d0h n GLU 75 N -4.49 -0.07 0.00 1.90 2.13 -1.05 -0.70 120.64 118.36 3d0h n GLU 75 Ca -0.08 1.36 -0.13 0.00 0.66 0.00 0.00 57.16 58.98 3d0h n GLU 75 Cb 0.31 -2.14 -0.10 0.00 0.27 0.00 0.00 31.44 29.78 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 -0.06 -0.41 5.31 1.08 -0.39 -2.60 115.11 118.04 3d0h h GLN 76 Ca 0.53 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.81 3d0h h GLN 76 Cb 1.05 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 28.40 3d0h h GLN 76 CO -0.86 0.46 -0.37 0.66 -0.95 0.00 0.00 178.83 177.76 3d0h h SER 77 N -0.62 -1.23 0.18 1.46 4.64 0.21 1.09 113.55 119.28 3d0h h SER 77 Ca -0.01 0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 3d0h h SER 77 Cb 0.55 0.56 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3d0h h SER 77 CO 0.01 -0.34 -0.15 0.71 -0.87 0.00 0.00 176.83 176.19 3d0h h THR 78 N -0.28 1.02 0.05 2.95 1.35 -1.19 0.13 112.91 116.93 3d0h h THR 78 Ca 0.16 -0.52 -0.23 0.00 -0.55 0.00 0.00 66.41 65.27 3d0h h THR 78 Cb 0.56 1.29 0.02 0.00 -1.73 0.00 0.00 68.15 68.29 3d0h h THR 78 CO -0.56 0.15 -0.94 -0.07 -0.25 0.00 0.00 175.52 173.85 3d0h h LEU 79 N 0.00 0.75 -1.77 3.87 3.38 -0.77 -3.12 115.31 117.64 3d0h h LEU 79 Ca -0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3d0h h LEU 79 Cb 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3d0h h LEU 79 CO 0.02 1.45 0.00 0.00 0.09 0.00 0.00 178.44 180.00 3d0h h ALA 80 N 0.31 1.00 0.00 1.53 0.00 0.25 -0.85 119.26 121.50 3d0h h ALA 80 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3d0h h ALA 80 Cb 1.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3d0h h ALA 80 CO 0.18 0.00 -0.43 0.37 0.00 0.00 0.00 179.25 179.37 3d0h h GLN 81 N 0.00 0.00 -1.06 0.00 5.75 -0.96 -3.13 115.11 115.71 3d0h h GLN 81 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3d0h h GLN 81 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3d0h h GLN 81 CO 0.00 0.43 0.00 -1.33 -2.65 0.00 0.00 178.83 175.28 3d0h n MET 82 N -3.78 0.73 -4.04 1.69 2.81 -0.33 -4.67 117.12 109.54 3d0h n MET 82 Ca -0.01 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.66 3d0h n MET 82 Cb 0.49 -1.22 -0.17 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.22 0.84 -0.74 2.03 1.51 -1.18 -5.10 117.35 114.48 3d0h s TYR 83 Ca 0.00 -0.27 -0.25 0.00 -1.01 0.00 0.00 57.07 55.54 3d0h s TYR 83 Cb 0.00 -0.79 0.05 0.00 -0.11 0.00 0.00 41.96 41.11 3d0h s TYR 83 CO 0.00 -0.27 1.18 -1.25 -1.11 0.00 0.00 175.55 174.10 3d0h s PRO 84 N 1.31 3.21 0.34 -1.71 0.04 -1.26 -4.87 135.00 132.05 3d0h s PRO 84 Ca -0.05 -0.57 0.27 0.00 0.04 0.00 0.00 61.00 60.69 3d0h s PRO 84 Cb -0.14 -4.32 0.95 0.00 0.04 0.00 0.00 34.50 31.03 3d0h s PRO 84 CO -0.02 -2.03 1.78 1.37 0.04 0.00 0.00 177.00 178.14 3d0h h LEU 85 N 12.34 0.00 -0.93 -3.56 -0.00 -1.96 0.18 115.31 121.37 3d0h h LEU 85 Ca -0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.54 3d0h h LEU 85 Cb 1.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 3d0h h LEU 85 CO 1.25 0.00 -0.45 1.56 -0.00 0.00 0.00 178.44 180.80 3d0h h GLN 86 N 0.00 0.18 -1.03 0.17 7.50 -2.00 -2.54 115.11 117.39 3d0h h GLN 86 Ca 0.00 -0.09 -0.32 0.00 0.50 0.00 0.00 58.65 58.74 3d0h h GLN 86 Cb 0.58 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 27.92 3d0h h GLN 86 CO 0.00 0.60 0.41 -1.91 -1.50 0.00 0.00 178.83 176.43 3d0h n GLU 87 N -3.99 1.77 -3.90 1.46 2.13 0.04 -4.83 120.64 113.32 3d0h n GLU 87 Ca -0.02 -1.82 -0.19 0.00 0.66 0.00 0.00 57.16 55.79 3d0h n GLU 87 Cb 0.50 -1.71 -0.17 0.00 0.27 0.00 0.00 31.44 30.33 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 -2.05 0.27 -0.74 6.31 1.01 -0.96 -4.55 121.20 120.50 3d0h s ILE 88 Ca 0.35 0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.13 3d0h s ILE 88 Cb 0.29 -0.39 0.24 0.00 0.01 0.00 0.00 42.46 42.62 3d0h s ILE 88 CO 0.06 0.20 0.82 0.00 0.00 0.00 0.00 174.94 176.01 3d0h n GLN 89 N 4.52 2.71 -2.78 2.79 0.00 -1.26 -4.84 117.38 118.52 3d0h n GLN 89 Ca -0.18 -4.62 -0.06 0.00 0.00 0.00 0.00 57.00 52.14 3d0h n GLN 89 Cb 0.50 -2.31 0.02 0.00 0.00 0.00 0.00 30.24 28.45 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 1.22 -3.20 0.00 2.61 4.05 -1.26 -5.06 115.26 113.61 3d0h n ASN 90 Ca 0.27 -3.01 0.00 0.00 0.45 0.00 0.00 54.58 52.29 3d0h n ASN 90 Cb 0.39 1.70 0.00 0.00 1.23 0.00 0.00 39.78 43.10 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 2.56 0.00 -0.14 1.20 4.32 -1.26 0.88 117.00 124.56 3d0h n LEU 91 Ca 0.16 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 56.02 3d0h n LEU 91 Cb 0.58 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.29 3d0h n LEU 91 CO 0.00 0.00 0.52 0.74 -1.22 0.00 0.00 177.39 177.43 3d0h h THR 92 N 0.00 0.03 -0.37 -5.08 2.02 -1.97 0.14 112.91 107.68 3d0h h THR 92 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3d0h h THR 92 Cb 0.00 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 3d0h h THR 92 CO 0.00 0.00 0.16 -0.37 0.37 0.00 0.00 175.52 175.68 3d0h h VAL 93 N -0.37 1.18 -0.59 3.16 -1.51 0.06 -2.26 116.25 115.91 3d0h h VAL 93 Ca 0.10 -0.55 0.12 0.00 -1.23 0.00 0.00 66.70 65.14 3d0h h VAL 93 Cb 0.59 0.85 -0.11 0.00 -2.13 0.00 0.00 31.29 30.50 3d0h h VAL 93 CO -0.60 0.20 -0.09 0.11 -1.23 0.00 0.00 177.57 175.95 3d0h h LYS 94 N 0.46 0.04 -0.17 5.19 1.57 -0.96 -0.40 116.57 122.30 3d0h h LYS 94 Ca 0.13 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 3d0h h LYS 94 Cb 0.16 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 3d0h h LYS 94 CO -0.01 0.02 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.62 3d0h h LEU 95 N 0.04 -0.63 -0.15 2.94 3.38 -0.14 -0.05 115.31 120.70 3d0h h LEU 95 Ca 0.29 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 3d0h h LEU 95 Cb 0.46 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3d0h h LEU 95 CO -0.57 -0.25 -0.14 0.06 0.09 0.00 0.00 178.44 177.62 3d0h h GLN 96 N -0.24 0.36 -0.31 1.13 3.07 -1.20 -1.81 115.11 116.11 3d0h h GLN 96 Ca 0.11 -0.19 0.07 0.00 0.09 0.00 0.00 58.65 58.73 3d0h h GLN 96 Cb 0.40 0.01 -0.07 0.00 0.08 0.00 0.00 27.48 27.89 3d0h h GLN 96 CO -0.30 0.74 -0.19 1.25 0.09 0.00 0.00 178.83 180.41 3d0h h LEU 97 N -0.01 -0.64 -0.90 0.06 5.85 -0.89 -0.36 115.31 118.42 3d0h h LEU 97 Ca 0.02 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3d0h h LEU 97 Cb 0.67 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3d0h h LEU 97 CO 0.04 -0.23 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.29 3d0h h GLN 98 N -0.16 0.80 -0.74 1.25 -0.00 -0.98 0.31 115.11 115.59 3d0h h GLN 98 Ca 0.16 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3d0h h GLN 98 Cb 0.41 -0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.76 3d0h h GLN 98 CO -0.41 0.81 0.48 0.00 0.00 0.00 0.00 178.83 179.71 3d0h h ALA 99 N 1.24 0.94 0.00 3.38 0.00 -0.87 -2.46 119.26 121.50 3d0h h ALA 99 Ca 0.14 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3d0h h ALA 99 Cb 0.47 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3d0h h ALA 99 CO 0.02 0.38 -0.56 1.25 0.00 0.00 0.00 179.25 180.35 3d0h h LEU 100 N 1.01 0.00 -4.40 0.00 6.46 -0.32 -3.23 115.31 114.83 3d0h h LEU 100 Ca 0.27 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.94 3d0h h LEU 100 Cb -0.09 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 3d0h h LEU 100 CO -0.06 0.56 0.03 0.00 -0.62 0.00 0.00 178.44 178.35 3d0h n GLN 101 N -3.74 1.01 -2.98 1.25 6.02 0.10 -4.21 117.38 114.83 3d0h n GLN 101 Ca -0.01 -0.48 -0.44 0.00 -0.01 0.00 0.00 57.00 56.06 3d0h n GLN 101 Cb 0.59 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 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 1.88 3.73 0.45 -1.09 2.00 -1.22 -4.81 119.66 120.59 3d0h s GLN 102 Ca 0.32 -2.05 0.14 0.00 -2.00 0.00 0.00 55.36 51.78 3d0h s GLN 102 Cb 0.15 -4.90 1.02 0.00 0.80 0.00 0.00 33.01 30.09 3d0h s GLN 102 CO 0.00 -1.71 2.01 -0.97 -0.50 0.00 0.00 175.29 174.12 3d0h h ASN 103 N 8.31 0.02 0.00 6.67 -0.73 -1.92 -3.46 115.58 124.47 3d0h h ASN 103 Ca 0.19 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.36 3d0h h ASN 103 Cb 0.99 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.57 3d0h h ASN 103 CO 1.10 0.17 0.00 0.61 -0.37 0.00 0.00 177.43 178.94 3d0h n GLY 104 N -1.08 1.85 0.00 1.57 0.00 -1.26 -1.22 105.19 105.05 3d0h n GLY 104 Ca -0.02 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.12 0.00 0.00 1.61 3.41 -1.26 -3.16 113.62 113.10 3d0h n SER 105 Ca 0.00 -0.92 0.10 0.00 -0.26 0.00 0.00 58.87 57.79 3d0h n SER 105 Cb 0.00 0.00 0.51 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 -0.96 0.00 0.15 4.04 7.64 -0.36 -2.65 113.62 121.48 3d0h n SER 106 Ca 0.19 0.06 0.12 0.00 1.01 0.00 0.00 58.87 60.25 3d0h n SER 106 Cb 0.09 -0.31 0.27 0.00 -1.01 0.00 0.00 64.21 63.24 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 -4.16 0.44 3.04 -1.58 -3.46 116.25 110.53 3d0h h VAL 107 Ca 0.00 -0.71 -0.46 0.00 -1.01 0.00 0.00 66.70 64.51 3d0h h VAL 107 Cb 0.22 1.65 0.09 0.00 -2.01 0.00 0.00 31.29 31.24 3d0h h VAL 107 CO 0.00 0.00 0.32 -0.76 -1.01 0.00 0.00 177.57 176.12 3d0h s LEU 108 N -5.21 2.66 0.60 3.16 1.43 -1.09 -5.06 118.68 115.17 3d0h s LEU 108 Ca 0.08 0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.63 3d0h s LEU 108 Cb 0.09 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 3d0h s LEU 108 CO 0.65 -1.77 1.05 -0.94 0.23 0.00 0.00 176.35 175.56 3d0h s SER 109 N -4.56 5.85 0.58 2.29 1.04 -1.26 -4.84 113.70 112.81 3d0h s SER 109 Ca 0.61 1.75 0.28 0.00 0.48 0.00 0.00 55.95 59.08 3d0h s SER 109 Cb -0.11 -2.52 1.50 0.00 0.10 0.00 0.00 66.02 64.99 3d0h s SER 109 CO 0.47 -1.12 1.95 -0.08 0.98 0.00 0.00 173.24 175.44 3d0h h GLU 110 N 0.34 0.00 -0.01 4.02 4.81 -1.96 -1.63 114.58 120.15 3d0h h GLU 110 Ca -0.46 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 3d0h h GLU 110 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3d0h h GLU 110 CO 0.58 0.00 -0.15 -0.44 -0.73 0.00 0.00 179.01 178.27 3d0h h ASP 111 N 0.00 0.15 0.51 1.04 3.45 -1.99 -2.78 116.42 116.80 3d0h h ASP 111 Ca 0.20 -0.74 -0.02 0.00 0.43 0.00 0.00 57.03 56.91 3d0h h ASP 111 Cb 1.04 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.75 3d0h h ASP 111 CO -0.00 0.86 -0.46 0.11 -1.57 0.00 0.00 179.24 178.18 3d0h h LYS 112 N -0.56 -0.92 -0.97 3.56 1.57 -1.70 0.46 116.57 118.02 3d0h h LYS 112 Ca -0.02 0.06 0.23 0.00 -1.87 0.00 0.00 60.65 59.06 3d0h h LYS 112 Cb 0.88 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 3d0h h LYS 112 CO 0.03 -0.61 0.64 0.77 -0.57 0.00 0.00 179.45 179.71 3d0h h SER 113 N -0.95 0.39 0.04 0.86 0.02 -1.50 0.41 113.55 112.82 3d0h h SER 113 Ca -0.07 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3d0h h SER 113 Cb 0.81 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.35 3d0h h SER 113 CO -0.03 0.12 -0.27 0.50 -1.14 0.00 0.00 176.83 176.01 3d0h h LYS 114 N 0.37 0.12 -0.21 3.45 3.11 -1.33 -2.94 116.57 119.15 3d0h h LYS 114 Ca 0.52 -0.18 0.05 0.00 -2.81 0.00 0.00 60.65 58.23 3d0h h LYS 114 Cb 1.36 0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 32.58 3d0h h LYS 114 CO -0.21 1.04 -0.36 -0.09 -2.81 0.00 0.00 179.45 177.02 3d0h h ARG 115 N -0.72 -0.38 -0.21 1.90 9.65 0.14 -1.39 114.38 123.37 3d0h h ARG 115 Ca -0.05 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.91 3d0h h ARG 115 Cb 1.17 0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 29.76 3d0h h ARG 115 CO 0.05 -0.25 -0.45 1.25 2.80 0.00 0.00 179.97 183.37 3d0h h LEU 116 N -0.39 -1.42 -1.39 3.80 5.85 -0.33 0.30 115.31 121.72 3d0h h LEU 116 Ca 0.11 0.19 0.25 0.00 0.84 0.00 0.00 57.88 59.27 3d0h h LEU 116 Cb 0.58 0.59 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 3d0h h LEU 116 CO -0.43 -0.42 0.65 0.78 -0.34 0.00 0.00 178.44 178.69 3d0h h ASN 117 N -0.46 0.45 -0.20 1.25 4.21 -1.32 0.34 115.58 119.86 3d0h h ASN 117 Ca 0.09 0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 3d0h h ASN 117 Cb 0.62 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.81 3d0h h ASN 117 CO -0.46 0.12 0.02 0.74 -1.29 0.00 0.00 177.43 176.56 3d0h h THR 118 N 0.42 1.24 0.45 2.81 2.02 0.64 -0.92 112.91 119.56 3d0h h THR 118 Ca 0.56 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3d0h h THR 118 Cb 1.39 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 3d0h h THR 118 CO -0.27 0.25 -0.29 0.40 0.37 0.00 0.00 175.52 175.98 3d0h h ILE 119 N 0.12 0.00 -1.20 3.11 1.08 0.11 0.62 117.51 121.36 3d0h h ILE 119 Ca 0.06 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.92 3d0h h ILE 119 Cb 0.36 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.97 3d0h h ILE 119 CO 0.01 0.00 0.75 -0.07 -0.69 0.00 0.00 178.15 178.14 3d0h h LEU 120 N -0.70 0.33 0.01 1.44 3.38 -0.49 0.46 115.31 119.73 3d0h h LEU 120 Ca -0.06 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3d0h h LEU 120 Cb 0.56 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3d0h h LEU 120 CO 0.05 -0.16 -0.19 0.78 0.09 0.00 0.00 178.44 179.01 3d0h h ASN 121 N 0.16 0.16 -0.05 -0.43 2.35 -0.73 -2.93 115.58 114.11 3d0h h ASN 121 Ca 0.78 -0.81 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3d0h h ASN 121 Cb 2.24 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 40.55 3d0h h ASN 121 CO -0.47 0.95 -0.01 0.74 -1.65 0.00 0.00 177.43 177.00 3d0h h THR 122 N -0.62 0.96 -0.03 2.81 2.02 0.45 0.10 112.91 118.61 3d0h h THR 122 Ca -0.03 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3d0h h THR 122 Cb 0.99 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 3d0h h THR 122 CO 0.04 0.00 -0.25 0.24 0.37 0.00 0.00 175.52 175.92 3d0h h MET 123 N 0.01 -0.36 -0.67 6.66 2.86 -0.69 -0.42 114.93 122.32 3d0h h MET 123 Ca 0.02 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 3d0h h MET 123 Cb 0.03 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 31.65 3d0h h MET 123 CO -0.04 -0.24 -0.22 1.03 1.06 0.00 0.00 176.91 178.50 3d0h h SER 124 N -0.37 -0.78 0.37 1.22 0.87 -1.24 -2.42 113.55 111.18 3d0h h SER 124 Ca 0.07 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3d0h h SER 124 Cb 0.47 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 3d0h h SER 124 CO -0.24 -0.25 -0.18 0.74 -0.53 0.00 0.00 176.83 176.36 3d0h h THR 125 N -0.04 0.00 -0.93 2.23 2.02 0.20 -2.76 112.91 113.63 3d0h h THR 125 Ca 0.31 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.67 3d0h h THR 125 Cb 0.52 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.75 3d0h h THR 125 CO -0.71 0.00 -0.23 -0.38 0.37 0.00 0.00 175.52 174.58 3d0h n ILE 126 N -3.39 -0.39 0.13 3.11 5.41 -0.26 -0.37 119.36 123.60 3d0h n ILE 126 Ca -0.06 2.12 -0.14 0.00 1.00 0.00 0.00 62.75 65.67 3d0h n ILE 126 Cb 0.20 -2.94 -0.08 0.00 -0.71 0.00 0.00 39.64 36.11 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 -0.24 -0.06 1.39 5.03 -1.41 1.33 116.97 123.00 3d0h h TYR 127 Ca 0.45 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.65 3d0h h TYR 127 Cb 0.69 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 3d0h h TYR 127 CO -0.71 -0.13 -0.41 0.66 -1.32 0.00 0.00 178.16 176.25 3d0h h SER 128 N -0.29 0.14 0.34 -2.11 4.64 -0.81 -3.22 113.55 112.24 3d0h h SER 128 Ca -0.03 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3d0h h SER 128 Cb 0.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3d0h h SER 128 CO 0.04 0.55 -1.54 0.35 -0.87 0.00 0.00 176.83 175.36 3d0h n THR 129 N -4.03 0.20 -1.59 2.95 -2.24 0.50 -4.92 114.28 105.15 3d0h n THR 129 Ca -0.02 -0.46 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 3d0h n THR 129 Cb 0.46 -0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.26 -0.50 3.64 3.38 0.00 0.45 -5.03 105.19 108.39 3d0h n GLY 130 Ca -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.56 0.74 0.09 1.61 -2.85 -1.26 -4.22 119.74 111.28 3d0h s LYS 131 Ca 0.73 1.08 0.06 0.00 -1.00 0.00 0.00 55.97 56.84 3d0h s LYS 131 Cb -0.44 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.55 3d0h s LYS 131 CO 0.49 -0.12 -0.06 0.14 0.10 0.00 0.00 175.35 175.90 3d0h s VAL 132 N 1.05 3.62 0.06 1.79 -7.23 -0.29 -4.87 120.40 114.52 3d0h s VAL 132 Ca -0.05 -1.12 0.09 0.00 -1.81 0.00 0.00 61.98 59.09 3d0h s VAL 132 Cb -0.05 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 3d0h s VAL 132 CO -0.11 0.15 -0.26 0.00 -0.31 0.00 0.00 175.10 174.57 3d0h n ASN 134 N 1.67 2.72 -0.29 0.00 2.85 -0.96 -4.88 115.26 116.37 3d0h n ASN 134 Ca -0.17 0.20 0.10 0.00 -0.11 0.00 0.00 54.58 54.60 3d0h n ASN 134 Cb 0.52 -1.45 0.25 0.00 1.24 0.00 0.00 39.78 40.35 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 14.55 0.43 -0.64 1.20 0.11 -1.96 0.20 132.00 145.89 3d0h h PRO 135 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3d0h h PRO 135 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d0h h PRO 135 CO 1.01 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.68 3d0h n ASP 136 N -5.01 4.63 -2.79 -2.05 5.68 -1.26 -4.26 116.55 111.48 3d0h n ASP 136 Ca 0.19 -2.60 -0.10 0.00 -0.50 0.00 0.00 54.79 51.78 3d0h n ASP 136 Cb 0.54 -0.60 0.05 0.00 -1.14 0.00 0.00 41.12 39.97 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 0.73 -2.41 0.00 -1.12 2.85 0.50 -5.01 115.26 110.81 3d0h n ASN 137 Ca 0.23 -3.35 0.03 0.00 -0.11 0.00 0.00 54.58 51.38 3d0h n ASN 137 Cb 0.93 1.59 0.18 0.00 1.24 0.00 0.00 39.78 43.72 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 1.27 0.13 -0.34 1.20 -0.02 0.06 -2.45 135.00 134.84 3d0h n PRO 138 Ca 0.10 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 3d0h n PRO 138 Cb 0.64 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.80 3d0h n PRO 138 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3d0h h GLN 139 N 0.00 0.98 -5.30 -0.52 4.15 -1.95 -3.43 115.11 109.04 3d0h h GLN 139 Ca 0.00 -0.06 -0.67 0.00 0.77 0.00 0.00 58.65 58.69 3d0h h GLN 139 Cb 0.05 -0.22 -0.31 0.00 0.21 0.00 0.00 27.48 27.20 3d0h h GLN 139 CO 0.00 0.65 -0.84 -2.00 -1.93 0.00 0.00 178.83 174.71 3d0h s GLU 140 N -6.02 3.15 0.25 1.69 2.12 -1.03 -5.06 118.70 113.80 3d0h s GLU 140 Ca -0.12 -0.81 0.10 0.00 0.36 0.00 0.00 54.97 54.50 3d0h s GLU 140 Cb 0.20 -2.45 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 3d0h s GLU 140 CO 0.80 0.14 -0.10 0.00 -0.54 0.00 0.00 175.26 175.56 3d0h s LEU 142 N -3.37 2.03 0.22 0.00 1.43 0.20 -4.94 118.68 114.25 3d0h s LEU 142 Ca 0.29 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.94 3d0h s LEU 142 Cb -0.07 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 45.02 3d0h s LEU 142 CO 0.17 0.25 0.49 -0.76 0.23 0.00 0.00 176.35 176.73 3d0h s LEU 143 N -0.44 4.17 0.30 1.79 1.02 -1.26 -1.14 118.68 123.12 3d0h s LEU 143 Ca 0.07 0.76 0.06 0.00 0.02 0.00 0.00 54.13 55.04 3d0h s LEU 143 Cb -0.08 -3.53 0.81 0.00 0.02 0.00 0.00 46.19 43.41 3d0h s LEU 143 CO -0.00 -0.06 1.68 0.25 0.02 0.00 0.00 176.35 178.23 3d0h h LEU 144 N 2.41 0.29 -8.17 1.79 5.85 -1.91 0.78 115.31 116.35 3d0h h LEU 144 Ca -0.47 0.17 -0.64 0.00 0.84 0.00 0.00 57.88 57.79 3d0h h LEU 144 Cb 1.17 0.17 -0.34 0.00 0.37 0.00 0.00 40.66 42.03 3d0h h LEU 144 CO 0.69 -0.07 -0.86 -0.70 -0.34 0.00 0.00 178.44 177.17 3d0h s GLU 145 N -5.85 2.68 -0.22 1.25 2.56 -1.26 -0.43 118.70 117.43 3d0h s GLU 145 Ca -0.11 -0.74 0.08 0.00 0.00 0.00 0.00 54.97 54.20 3d0h s GLU 145 Cb 0.27 -2.14 0.56 0.00 2.00 0.00 0.00 34.13 34.82 3d0h s GLU 145 CO 0.78 0.04 1.49 -0.35 -0.56 0.00 0.00 175.26 176.66 3d0h n PRO 146 N 3.89 3.23 0.00 4.30 -0.05 -1.26 -4.97 135.00 140.15 3d0h n PRO 146 Ca -0.20 -2.25 0.00 0.00 -0.05 0.00 0.00 63.50 61.00 3d0h n PRO 146 Cb 0.52 -1.99 0.00 0.00 -0.05 0.00 0.00 33.50 31.98 3d0h n PRO 146 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3d0h n GLY 147 N 0.09 -0.81 0.05 0.55 0.00 0.21 -2.96 105.19 102.32 3d0h n GLY 147 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.03 -0.87 0.99 -0.00 -1.32 -3.18 115.31 110.91 3d0h h LEU 148 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.88 58.11 3d0h h LEU 148 Cb 0.00 0.01 -0.15 0.00 -0.00 0.00 0.00 40.66 40.52 3d0h h LEU 148 CO 0.00 -0.02 0.13 0.78 -0.00 0.00 0.00 178.44 179.32 3d0h h ASN 149 N -0.03 -0.20 0.21 -0.43 -0.26 -0.92 0.28 115.58 114.23 3d0h h ASN 149 Ca -0.00 0.21 -0.09 0.00 -0.56 0.00 0.00 56.30 55.87 3d0h h ASN 149 Cb 0.03 0.34 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 3d0h h ASN 149 CO 0.00 -0.21 -0.34 -0.08 -1.06 0.00 0.00 177.43 175.75 3d0h h GLU 150 N 0.13 0.20 0.62 0.81 4.22 -1.51 -1.06 114.58 117.99 3d0h h GLU 150 Ca 0.52 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.85 3d0h h GLU 150 Cb 1.03 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.28 3d0h h GLU 150 CO -0.71 0.52 -0.30 0.82 -2.18 0.00 0.00 179.01 177.16 3d0h h ILE 151 N 0.17 0.35 0.00 2.32 2.04 -0.51 -1.50 117.51 120.38 3d0h h ILE 151 Ca 0.02 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3d0h h ILE 151 Cb 0.69 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3d0h h ILE 151 CO 0.05 0.02 -0.00 0.24 0.00 0.00 0.00 178.15 178.46 3d0h h MET 152 N -0.93 0.00 0.00 2.37 2.86 -0.79 -0.46 114.93 117.98 3d0h h MET 152 Ca -0.08 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.40 3d0h h MET 152 Cb 0.67 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 3d0h h MET 152 CO 0.14 0.00 -2.01 0.00 1.06 0.00 0.00 176.91 176.10 3d0h n ALA 153 N -2.09 2.22 0.00 6.32 0.00 -0.43 -3.43 120.51 123.11 3d0h n ALA 153 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3d0h n ALA 153 Cb 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.54 4.74 -4.71 0.00 4.13 -0.57 -4.93 115.26 111.39 3d0h n ASN 154 Ca -0.15 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.69 3d0h n ASN 154 Cb 0.81 0.69 -0.03 0.00 -1.54 0.00 0.00 39.78 39.72 3d0h n ASN 154 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3d0h s SER 155 N -2.43 6.86 0.00 6.41 0.15 -0.23 -4.90 113.70 119.56 3d0h s SER 155 Ca 0.00 2.22 0.20 0.00 0.70 0.00 0.00 55.95 59.08 3d0h s SER 155 Cb 0.00 -2.58 0.54 0.00 -1.71 0.00 0.00 66.02 62.27 3d0h s SER 155 CO 0.00 -0.65 1.45 0.18 1.20 0.00 0.00 173.24 175.42 3d0h n LEU 156 N 4.38 2.71 -4.55 3.45 7.99 -1.26 -4.87 117.00 124.84 3d0h n LEU 156 Ca 0.12 -1.22 -0.41 0.00 -0.01 0.00 0.00 56.01 54.49 3d0h n LEU 156 Cb 0.43 -0.24 -0.08 0.00 -0.11 0.00 0.00 43.42 43.43 3d0h n LEU 156 CO 0.58 0.61 0.23 -0.62 -1.51 0.00 0.00 177.39 176.68 3d0h s ASP 157 N -1.37 6.31 0.24 -1.43 2.15 -1.26 -4.97 116.67 116.34 3d0h s ASP 157 Ca 0.36 -0.08 -0.05 0.00 0.43 0.00 0.00 52.55 53.21 3d0h s ASP 157 Cb 0.20 -2.27 0.40 0.00 -0.30 0.00 0.00 42.92 40.95 3d0h s ASP 157 CO 0.28 -0.50 1.78 0.22 -0.17 0.00 0.00 175.17 176.78 3d0h h TYR 158 N 8.50 0.72 0.17 -5.34 3.20 -1.98 -0.24 116.97 122.00 3d0h h TYR 158 Ca -0.28 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.32 3d0h h TYR 158 Cb 1.12 -0.21 0.02 0.00 1.54 0.00 0.00 36.73 39.21 3d0h h TYR 158 CO 0.72 0.24 -1.32 -0.91 -1.64 0.00 0.00 178.16 175.25 3d0h h ASN 159 N 0.65 0.67 -0.43 -2.11 2.35 -1.98 0.14 115.58 114.86 3d0h h ASN 159 Ca 0.39 -0.69 0.02 0.00 -0.55 0.00 0.00 56.30 55.48 3d0h h ASN 159 Cb 0.44 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 3d0h h ASN 159 CO -0.29 1.53 0.25 -0.08 -1.65 0.00 0.00 177.43 177.19 3d0h h GLU 160 N 0.14 0.50 -0.68 0.81 4.81 -1.94 0.46 114.58 118.67 3d0h h GLU 160 Ca -0.19 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3d0h h GLU 160 Cb 2.02 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 31.26 3d0h h GLU 160 CO 0.24 0.33 0.32 0.00 -0.73 0.00 0.00 179.01 179.16 3d0h h ARG 161 N 0.51 0.99 -0.62 1.92 3.08 -0.99 -2.32 114.38 116.95 3d0h h ARG 161 Ca 0.17 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3d0h h ARG 161 Cb 0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3d0h h ARG 161 CO -0.08 0.79 0.39 1.25 -1.07 0.00 0.00 179.97 181.25 3d0h h LEU 162 N 0.95 0.73 0.00 3.04 5.85 -0.50 -1.95 115.31 123.44 3d0h h LEU 162 Ca 0.23 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3d0h h LEU 162 Cb 0.14 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3d0h h LEU 162 CO -0.03 0.56 0.00 1.87 -0.34 0.00 0.00 178.44 180.50 3d0h n TRP 163 N -4.62 0.00 -0.31 1.25 -0.00 0.16 -0.41 117.44 113.51 3d0h n TRP 163 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.46 3d0h n TRP 163 Cb 0.04 -0.27 -0.07 0.00 -0.00 0.00 0.00 31.31 31.00 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 -1.63 -0.47 -0.23 5.87 0.00 -0.99 0.37 120.51 123.42 3d0h n ALA 164 Ca 0.00 0.63 0.03 0.00 0.00 0.00 0.00 53.44 54.10 3d0h n ALA 164 Cb 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.07 0.18 0.00 7.01 -1.17 -0.71 115.95 121.20 3d0h h TRP 165 Ca 0.12 0.05 -0.30 0.00 2.11 0.00 0.00 58.89 60.87 3d0h h TRP 165 Cb 0.30 0.14 0.02 0.00 -2.10 0.00 0.00 29.16 27.52 3d0h h TRP 165 CO -0.85 -0.21 -1.35 1.49 -2.79 0.00 0.00 178.44 174.73 3d0h h GLU 166 N 0.10 0.39 0.28 2.65 4.57 0.10 -3.07 114.58 119.61 3d0h h GLU 166 Ca 0.36 -0.67 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3d0h h GLU 166 Cb 0.61 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3d0h h GLU 166 CO -0.60 1.32 -0.37 0.77 -1.18 0.00 0.00 179.01 178.94 3d0h h SER 167 N 0.11 -1.06 -0.67 1.04 0.02 0.43 -1.51 113.55 111.91 3d0h h SER 167 Ca -0.19 0.09 0.14 0.00 -0.84 0.00 0.00 61.79 61.00 3d0h h SER 167 Cb 2.06 0.36 -0.12 0.00 0.14 0.00 0.00 62.40 64.85 3d0h h SER 167 CO 0.24 -0.46 -0.03 -0.25 -1.14 0.00 0.00 176.83 175.19 3d0h h TRP 168 N -0.67 -0.10 0.00 3.45 2.91 -1.26 0.36 115.95 120.63 3d0h h TRP 168 Ca -0.03 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3d0h h TRP 168 Cb 0.61 0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.41 3d0h h TRP 168 CO -0.27 -0.21 0.00 0.00 -1.03 0.00 0.00 178.44 176.93 3d0h h ARG 169 N 0.09 0.00 0.00 2.65 3.08 -1.46 -2.76 114.38 115.99 3d0h h ARG 169 Ca 0.35 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.35 3d0h h ARG 169 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3d0h h ARG 169 CO -0.60 0.00 -1.51 0.45 -1.07 0.00 0.00 179.97 177.24 3d0h n SER 170 N -2.74 0.50 0.00 7.04 2.88 -0.35 -2.93 113.62 118.02 3d0h n SER 170 Ca 0.04 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 3d0h n SER 170 Cb 0.44 0.99 0.00 0.00 -0.75 0.00 0.00 64.21 64.89 3d0h n SER 170 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3d0h n GLU 171 N -2.57 0.00 0.00 -1.46 -0.58 -0.03 -4.17 120.64 111.83 3d0h n GLU 171 Ca -0.05 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.71 3d0h n GLU 171 Cb 0.64 -0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.63 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 1.12 -0.01 2.62 0.24 -1.12 -2.19 118.33 118.77 3d0h n VAL 172 Ca 0.00 0.28 -0.00 0.00 -2.04 0.00 0.00 64.34 62.58 3d0h n VAL 172 Cb 0.00 -1.20 -0.00 0.00 -1.47 0.00 0.00 33.84 31.17 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 0.82 0.00 -0.42 7.63 0.00 -1.50 -3.28 103.07 106.31 3d0h h GLY 173 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.67 3d0h h GLY 173 CO 0.00 0.00 0.89 0.50 0.00 0.00 0.00 176.54 177.93 3d0h h LYS 174 N -0.15 0.00 -0.41 4.80 1.57 -1.33 0.14 116.57 121.19 3d0h h LYS 174 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3d0h h LYS 174 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3d0h h LYS 174 CO 0.00 0.00 -0.10 1.96 -0.57 0.00 0.00 179.45 180.74 3d0h h GLN 175 N 0.00 0.79 -0.00 3.15 4.20 -1.59 -3.17 115.11 118.49 3d0h h GLN 175 Ca 0.55 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3d0h h GLN 175 Cb 2.32 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.05 3d0h h GLN 175 CO -0.01 0.92 -0.07 1.28 -0.67 0.00 0.00 178.83 180.28 3d0h n LEU 176 N -4.32 0.08 0.13 1.46 4.77 0.48 -4.01 117.00 115.58 3d0h n LEU 176 Ca -0.01 0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 56.28 3d0h n LEU 176 Cb 0.36 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 3d0h n LEU 176 CO 0.43 0.02 0.51 -0.09 -1.33 0.00 0.00 177.39 176.93 3d0h h ARG 177 N 0.02 -0.47 -0.09 3.23 9.65 -1.47 0.11 114.38 125.36 3d0h h ARG 177 Ca 0.00 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 3d0h h ARG 177 Cb 0.48 0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.12 3d0h h ARG 177 CO 0.00 -0.31 -0.20 -1.35 2.80 0.00 0.00 179.97 180.90 3d0h h PRO 178 N -0.48 -0.27 -0.66 0.20 0.11 -1.75 -1.32 132.00 127.82 3d0h h PRO 178 Ca -0.03 0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.20 3d0h h PRO 178 Cb 0.43 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.53 3d0h h PRO 178 CO -0.06 -0.18 0.27 -0.07 -0.21 0.00 0.00 178.00 177.75 3d0h h LEU 179 N -0.28 0.29 -1.24 2.35 4.07 -1.76 -1.68 115.31 117.06 3d0h h LEU 179 Ca 0.09 0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 3d0h h LEU 179 Cb 0.41 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 3d0h h LEU 179 CO -0.25 0.16 0.44 0.22 -1.08 0.00 0.00 178.44 177.93 3d0h h TYR 180 N 0.46 0.92 -0.39 1.13 3.20 0.36 0.29 116.97 122.94 3d0h h TYR 180 Ca 0.34 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 3d0h h TYR 180 Cb 0.42 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3d0h h TYR 180 CO -0.15 0.61 0.19 0.93 -1.64 0.00 0.00 178.16 178.10 3d0h h GLU 181 N 0.98 0.57 -0.15 1.82 5.08 -0.80 0.60 114.58 122.68 3d0h h GLU 181 Ca 0.26 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 3d0h h GLU 181 Cb -0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3d0h h GLU 181 CO -0.05 0.50 -0.32 1.49 -1.00 0.00 0.00 179.01 179.62 3d0h h GLU 182 N 0.50 0.48 -0.76 2.33 4.81 -1.30 -2.70 114.58 117.94 3d0h h GLU 182 Ca 0.14 -0.32 0.17 0.00 -0.13 0.00 0.00 59.36 59.22 3d0h h GLU 182 Cb 0.12 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.41 3d0h h GLU 182 CO -0.02 0.93 0.00 -0.92 -0.73 0.00 0.00 179.01 178.28 3d0h h TYR 183 N 0.09 -0.05 -0.89 0.92 5.03 -0.18 0.58 116.97 122.46 3d0h h TYR 183 Ca 0.00 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 3d0h h TYR 183 Cb 0.93 0.14 -0.04 0.00 1.55 0.00 0.00 36.73 39.31 3d0h h TYR 183 CO 0.10 -0.25 0.49 0.28 -1.32 0.00 0.00 178.16 177.47 3d0h h VAL 184 N 0.10 1.26 0.46 1.81 2.07 -0.63 0.19 116.25 121.51 3d0h h VAL 184 Ca 0.42 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3d0h h VAL 184 Cb 0.74 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3d0h h VAL 184 CO -0.67 0.29 -0.22 0.58 0.02 0.00 0.00 177.57 177.56 3d0h h VAL 185 N 1.25 0.36 -0.73 2.57 2.07 -0.90 -0.87 116.25 120.00 3d0h h VAL 185 Ca 0.31 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3d0h h VAL 185 Cb 0.02 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 3d0h h VAL 185 CO -0.05 0.06 0.42 -0.07 0.02 0.00 0.00 177.57 177.95 3d0h h LEU 186 N -0.99 0.64 -0.88 2.57 3.38 -0.86 -0.68 115.31 118.49 3d0h h LEU 186 Ca -0.06 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3d0h h LEU 186 Cb 0.58 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3d0h h LEU 186 CO 0.10 0.41 -0.47 0.50 0.09 0.00 0.00 178.44 179.07 3d0h h LYS 187 N 0.77 0.20 -0.09 1.13 1.63 -0.65 -2.67 116.57 116.89 3d0h h LYS 187 Ca 0.32 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 3d0h h LYS 187 Cb 0.19 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3d0h h LYS 187 CO -0.18 0.63 -0.10 -0.91 -3.45 0.00 0.00 179.45 175.45 3d0h h ASN 188 N 0.16 0.24 -0.48 4.20 2.35 -0.23 -2.23 115.58 119.59 3d0h h ASN 188 Ca 0.01 -0.49 0.10 0.00 -0.55 0.00 0.00 56.30 55.37 3d0h h ASN 188 Cb 0.89 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 39.10 3d0h h ASN 188 CO 0.07 0.68 -0.16 -0.33 -1.65 0.00 0.00 177.43 176.04 3d0h h GLU 189 N -0.20 -0.05 -0.66 0.81 5.08 -1.13 0.40 114.58 118.83 3d0h h GLU 189 Ca 0.01 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 3d0h h GLU 189 Cb 0.62 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.76 3d0h h GLU 189 CO 0.02 -0.03 -0.06 1.98 -1.00 0.00 0.00 179.01 179.92 3d0h h MET 190 N -0.05 0.07 -0.44 2.33 4.05 -1.46 0.20 114.93 119.62 3d0h h MET 190 Ca 0.23 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.51 3d0h h MET 190 Cb 0.40 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 3d0h h MET 190 CO -0.52 0.04 -0.24 0.00 0.23 0.00 0.00 176.91 176.43 3d0h h ALA 191 N 1.63 0.74 -0.27 0.39 0.00 -0.32 -2.91 119.26 118.53 3d0h h ALA 191 Ca 0.34 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3d0h h ALA 191 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3d0h h ALA 191 CO -0.61 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.18 3d0h h ARG 192 N 0.79 0.55 0.00 0.00 3.08 0.82 -0.46 114.38 119.17 3d0h h ARG 192 Ca 0.10 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3d0h h ARG 192 Cb 0.80 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3d0h h ARG 192 CO 0.07 0.80 -0.07 0.00 -1.07 0.00 0.00 179.97 179.70 3d0h h ALA 193 N 0.74 1.41 -0.44 0.04 0.00 -0.67 -0.92 119.26 119.43 3d0h h ALA 193 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d0h h ALA 193 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3d0h h ALA 193 CO 0.04 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.46 3d0h n ASN 194 N -3.77 4.32 -1.02 0.00 5.03 -1.08 -4.92 115.26 113.82 3d0h n ASN 194 Ca -0.02 -2.60 -0.09 0.00 0.87 0.00 0.00 54.58 52.74 3d0h n ASN 194 Cb 0.16 -0.61 -0.00 0.00 -1.02 0.00 0.00 39.78 38.32 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 0.54 -0.45 -4.12 3.10 8.25 -0.35 -5.05 115.22 117.14 3d0h n HIS 195 Ca 0.20 0.02 -0.32 0.00 -0.26 0.00 0.00 57.72 57.36 3d0h n HIS 195 Cb 0.89 -2.24 -0.07 0.00 1.12 0.00 0.00 29.99 29.69 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 -2.46 3.23 0.22 4.41 2.02 -0.20 -5.01 117.35 119.56 3d0h s TYR 196 Ca 0.01 0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.80 3d0h s TYR 196 Cb -0.01 -1.71 0.35 0.00 -0.40 0.00 0.00 41.96 40.20 3d0h s TYR 196 CO 0.02 0.53 1.73 0.93 -1.57 0.00 0.00 175.55 177.19 3d0h h GLU 197 N 4.00 0.39 0.00 -0.62 5.08 -1.92 -3.31 114.58 118.20 3d0h h GLU 197 Ca -0.49 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3d0h h GLU 197 Cb 1.18 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.35 3d0h h GLU 197 CO 0.62 0.26 0.31 -0.40 -1.00 0.00 0.00 179.01 178.79 3d0h n ASP 198 N -5.02 -2.25 -0.27 1.42 5.75 -1.26 -4.80 116.55 110.12 3d0h n ASP 198 Ca 0.11 -2.53 -0.07 0.00 -0.01 0.00 0.00 54.79 52.29 3d0h n ASP 198 Cb 0.33 3.74 0.05 0.00 -1.03 0.00 0.00 41.12 44.22 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 1.99 1.19 -0.36 2.11 3.20 -1.82 -0.34 116.97 122.93 3d0h h TYR 199 Ca -0.33 -0.12 0.08 0.00 3.14 0.00 0.00 58.73 61.50 3d0h h TYR 199 Cb 1.23 -0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.08 3d0h h TYR 199 CO 0.00 0.94 -0.21 0.78 -1.64 0.00 0.00 178.16 178.03 3d0h h GLY 200 N 1.09 0.02 0.41 1.82 0.00 -1.86 -0.66 103.07 103.89 3d0h h GLY 200 Ca 0.24 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.94 3d0h h GLY 200 CO -0.01 -0.20 0.44 -1.80 0.00 0.00 0.00 176.54 174.98 3d0h h ASP 201 N -0.16 0.59 -0.03 0.19 3.58 -1.72 -0.25 116.42 118.62 3d0h h ASP 201 Ca 0.18 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.70 3d0h h ASP 201 Cb 0.43 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 3d0h h ASP 201 CO -0.45 0.31 -0.22 0.22 -2.88 0.00 0.00 179.24 176.22 3d0h h TYR 202 N 0.70 -0.64 -0.55 0.28 3.20 0.33 -2.03 116.97 118.25 3d0h h TYR 202 Ca 0.41 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.39 3d0h h TYR 202 Cb 0.46 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 3d0h h TYR 202 CO -0.08 -0.22 0.17 -1.49 -1.64 0.00 0.00 178.16 174.90 3d0h h TRP 203 N -0.25 0.29 -0.10 -3.82 6.55 -0.26 0.55 115.95 118.90 3d0h h TRP 203 Ca 0.01 0.03 0.03 0.00 0.95 0.00 0.00 58.89 59.91 3d0h h TRP 203 Cb 0.28 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.53 3d0h h TRP 203 CO -0.46 0.06 0.24 0.00 -1.05 0.00 0.00 178.44 177.22 3d0h h ARG 204 N 0.33 0.00 -0.69 0.49 3.08 -0.94 -2.34 114.38 114.32 3d0h h ARG 204 Ca 0.28 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.47 3d0h h ARG 204 Cb 0.35 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.30 3d0h h ARG 204 CO -0.31 0.00 0.15 0.78 -1.07 0.00 0.00 179.97 179.52 3d0h h GLY 205 N 0.00 0.91 -1.60 0.04 0.00 0.87 -1.21 103.07 102.09 3d0h h GLY 205 Ca 0.05 -0.02 0.49 0.00 0.00 0.00 0.00 47.33 47.85 3d0h h GLY 205 CO -0.00 -0.17 1.11 1.34 0.00 0.00 0.00 176.54 178.81 3d0h n ASP 206 N -5.16 0.08 -0.00 0.19 -0.08 -0.88 -0.05 116.55 110.65 3d0h n ASP 206 Ca 0.12 1.08 0.12 0.00 -1.51 0.00 0.00 54.79 54.60 3d0h n ASP 206 Cb 0.41 -0.53 0.28 0.00 2.34 0.00 0.00 41.12 43.61 3d0h n ASP 206 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3d0h n TYR 207 N -4.12 0.00 -2.12 -0.67 4.02 -0.46 -4.94 117.16 108.88 3d0h n TYR 207 Ca 0.40 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.92 3d0h n TYR 207 Cb 1.69 -0.26 0.01 0.00 -0.02 0.00 0.00 39.34 40.76 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 -2.99 3.33 -0.03 -0.72 2.12 0.93 -4.69 118.70 116.66 3d0h s GLU 208 Ca 0.11 1.82 -0.01 0.00 0.36 0.00 0.00 54.97 57.26 3d0h s GLU 208 Cb 0.18 -2.14 0.03 0.00 0.26 0.00 0.00 34.13 32.45 3d0h s GLU 208 CO 0.69 -0.91 0.05 0.08 -0.54 0.00 0.00 175.26 174.62 3d0h s VAL 209 N -1.58 -0.05 -0.12 3.70 1.01 0.92 -4.87 120.40 119.41 3d0h s VAL 209 Ca 0.71 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.90 3d0h s VAL 209 Cb -0.30 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 35.99 3d0h s VAL 209 CO 0.34 0.08 -0.18 0.20 0.00 0.00 0.00 175.10 175.54 3d0h s ASN 210 N 0.99 2.70 -0.04 3.32 0.01 -1.26 -2.57 114.94 118.09 3d0h s ASN 210 Ca -0.08 -0.50 -0.00 0.00 -0.71 0.00 0.00 52.86 51.57 3d0h s ASN 210 Cb -0.11 -1.23 0.00 0.00 0.41 0.00 0.00 41.25 40.32 3d0h s ASN 210 CO -0.03 0.04 0.01 0.61 -1.51 0.00 0.00 177.10 176.22 3d0h n GLY 211 N 4.13 -2.68 0.00 0.66 0.00 -1.26 -5.03 105.19 101.00 3d0h n GLY 211 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.01 0.00 -0.72 1.61 0.24 -1.26 -5.01 118.33 113.20 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 0.01 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 -0.12 -2.16 0.00 -1.34 8.00 -1.26 -4.63 116.55 115.04 3d0h n ASP 213 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3d0h n ASP 213 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 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 0.04 1.51 0.39 0.44 0.00 -1.26 -4.55 105.19 101.77 3d0h n GLY 214 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 -2.34 1.61 4.02 -1.26 -4.89 117.16 114.30 3d0h n TYR 215 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 3d0h n TYR 215 Cb 0.00 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.28 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 -2.06 6.32 -0.02 7.72 1.11 -1.26 -4.77 116.67 123.70 3d0h s ASP 216 Ca 0.37 2.22 -0.16 0.00 0.18 0.00 0.00 52.55 55.17 3d0h s ASP 216 Cb 0.21 -2.60 0.03 0.00 1.07 0.00 0.00 42.92 41.63 3d0h s ASP 216 CO 0.36 -0.81 0.34 -0.47 1.18 0.00 0.00 175.17 175.78 3d0h s TYR 217 N -1.59 -0.23 0.14 4.23 5.04 -1.06 -4.90 117.35 118.98 3d0h s TYR 217 Ca 0.62 0.37 0.08 0.00 -2.44 0.00 0.00 57.07 55.70 3d0h s TYR 217 Cb -0.26 0.12 -0.04 0.00 0.35 0.00 0.00 41.96 42.13 3d0h s TYR 217 CO 0.32 -0.40 -0.18 -1.54 -1.34 0.00 0.00 175.55 172.41 3d0h s SER 218 N -1.25 2.58 0.63 4.32 1.04 -1.26 -0.06 113.70 119.70 3d0h s SER 218 Ca -0.13 -0.81 0.37 0.00 0.48 0.00 0.00 55.95 55.86 3d0h s SER 218 Cb -0.05 -0.14 2.10 0.00 0.10 0.00 0.00 66.02 68.02 3d0h s SER 218 CO 0.05 -0.02 2.29 0.03 0.98 0.00 0.00 173.24 176.57 3d0h h ARG 219 N 3.48 0.00 0.16 4.02 3.08 -1.91 -0.48 114.38 122.73 3d0h h ARG 219 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 3d0h h ARG 219 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3d0h h ARG 219 CO 0.48 0.00 -0.08 0.78 -1.07 0.00 0.00 179.97 180.08 3d0h h GLY 220 N 0.00 -0.22 1.59 0.04 0.00 -1.95 -3.35 103.07 99.18 3d0h h GLY 220 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3d0h h GLY 220 CO -0.00 -0.08 0.00 -0.18 0.00 0.00 0.00 176.54 176.28 3d0h n GLN 221 N -4.91 0.05 0.00 4.80 7.27 -0.21 -1.44 117.38 122.94 3d0h n GLN 221 Ca -0.07 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.26 3d0h n GLN 221 Cb 0.25 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.40 3d0h n GLN 221 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3d0h n LEU 222 N -1.29 0.11 -0.35 1.69 7.94 -1.08 -2.10 117.00 121.92 3d0h n LEU 222 Ca 0.02 0.81 0.04 0.00 -1.11 0.00 0.00 56.01 55.77 3d0h n LEU 222 Cb 0.03 -0.42 0.12 0.00 0.53 0.00 0.00 43.42 43.68 3d0h n LEU 222 CO 0.03 -0.42 0.66 0.40 -1.11 0.00 0.00 177.39 176.95 3d0h h ILE 223 N 0.00 0.03 -0.23 1.96 2.04 -1.46 0.49 117.51 120.35 3d0h h ILE 223 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3d0h h ILE 223 Cb 0.00 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.04 3d0h h ILE 223 CO 0.00 0.00 -0.37 -0.08 0.00 0.00 0.00 178.15 177.70 3d0h h GLU 224 N -0.00 -0.37 -0.03 2.37 4.81 -1.65 0.67 114.58 120.37 3d0h h GLU 224 Ca 0.45 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 3d0h h GLU 224 Cb 0.69 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 3d0h h GLU 224 CO -0.99 -0.25 -0.01 -0.44 -0.73 0.00 0.00 179.01 176.59 3d0h h ASP 225 N -0.38 0.06 -0.71 1.04 5.19 -0.01 -2.40 116.42 119.21 3d0h h ASP 225 Ca 0.11 -0.41 0.15 0.00 -0.62 0.00 0.00 57.03 56.26 3d0h h ASP 225 Cb 0.58 -0.02 -0.12 0.00 0.18 0.00 0.00 39.33 39.95 3d0h h ASP 225 CO -0.44 0.46 -0.01 0.58 -3.12 0.00 0.00 179.24 176.71 3d0h h VAL 226 N -0.34 0.38 -0.12 -1.35 2.07 0.02 0.16 116.25 117.07 3d0h h VAL 226 Ca 0.01 -0.03 -0.23 0.00 0.82 0.00 0.00 66.70 67.26 3d0h h VAL 226 Cb 0.44 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3d0h h VAL 226 CO 0.00 0.02 -0.83 -0.33 0.02 0.00 0.00 177.57 176.45 3d0h h GLU 227 N 0.10 0.76 -0.35 1.57 5.08 -0.87 -2.28 114.58 118.58 3d0h h GLU 227 Ca 0.38 -0.66 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3d0h h GLU 227 Cb 0.64 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3d0h h GLU 227 CO -0.63 1.26 0.07 1.25 -1.00 0.00 0.00 179.01 179.96 3d0h h HIS 228 N 0.50 0.61 -0.57 4.33 2.76 -0.86 -1.97 115.15 119.95 3d0h h HIS 228 Ca -0.07 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.05 3d0h h HIS 228 Cb 1.47 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 30.23 3d0h h HIS 228 CO 0.09 0.63 0.38 0.00 -1.30 0.00 0.00 177.93 177.72 3d0h h THR 229 N 0.42 1.09 -0.03 6.26 1.03 -0.73 -2.79 112.91 118.16 3d0h h THR 229 Ca 0.11 -0.23 -0.15 0.00 -0.01 0.00 0.00 66.41 66.13 3d0h h THR 229 Cb 0.34 0.34 -0.02 0.00 -1.07 0.00 0.00 68.15 67.74 3d0h h THR 229 CO 0.00 0.12 -0.66 0.15 -0.01 0.00 0.00 175.52 175.13 3d0h h PHE 230 N 0.68 0.14 0.04 0.00 3.57 -0.85 -3.16 116.94 117.38 3d0h h PHE 230 Ca 0.22 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3d0h h PHE 230 Cb 0.05 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 3d0h h PHE 230 CO -0.00 0.73 -0.35 0.93 -2.23 0.00 0.00 178.31 177.39 3d0h h GLU 231 N 0.08 -0.52 0.00 1.11 4.39 -1.08 0.19 114.58 118.75 3d0h h GLU 231 Ca -0.01 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3d0h h GLU 231 Cb 1.17 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3d0h h GLU 231 CO 0.09 -0.34 0.00 0.39 -1.16 0.00 0.00 179.01 177.99 3d0h n GLU 232 N -5.43 0.15 -0.04 2.33 1.02 -1.19 -1.59 120.64 115.88 3d0h n GLU 232 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3d0h n GLU 232 Cb 0.34 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.64 0.48 -0.23 -3.67 5.41 0.04 -4.67 119.36 116.09 3d0h n ILE 233 Ca 0.01 -0.46 -0.07 0.00 1.00 0.00 0.00 62.75 63.23 3d0h n ILE 233 Cb 0.00 -0.25 -0.02 0.00 -0.71 0.00 0.00 39.64 38.67 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 -0.17 -0.14 0.38 1.79 -1.14 -1.33 116.57 115.96 3d0h h LYS 234 Ca -0.19 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.33 3d0h h LYS 234 Cb 1.27 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.92 3d0h h LYS 234 CO 0.01 -0.12 -0.11 -1.35 -1.08 0.00 0.00 179.45 176.80 3d0h h PRO 235 N -0.18 -0.13 -0.82 3.15 0.11 -1.83 0.68 132.00 132.98 3d0h h PRO 235 Ca 0.21 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.43 3d0h h PRO 235 Cb 0.56 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.62 3d0h h PRO 235 CO -0.72 -0.08 0.46 1.25 -0.21 0.00 0.00 178.00 178.69 3d0h h LEU 236 N -0.13 0.63 -0.02 2.35 5.85 -1.76 -2.39 115.31 119.84 3d0h h LEU 236 Ca 0.09 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 3d0h h LEU 236 Cb 0.26 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.24 3d0h h LEU 236 CO -0.22 0.35 -0.61 0.22 -0.34 0.00 0.00 178.44 177.84 3d0h h TYR 237 N 0.75 0.67 -0.95 1.25 3.20 -0.06 -2.17 116.97 119.65 3d0h h TYR 237 Ca 0.40 -0.35 0.14 0.00 3.14 0.00 0.00 58.73 62.07 3d0h h TYR 237 Cb 0.41 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.50 3d0h h TYR 237 CO -0.07 1.16 0.57 0.93 -1.64 0.00 0.00 178.16 179.10 3d0h h GLU 238 N -0.01 0.80 -0.12 1.82 5.08 0.44 0.74 114.58 123.34 3d0h h GLU 238 Ca -0.07 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3d0h h GLU 238 Cb 1.31 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3d0h h GLU 238 CO 0.12 0.53 -0.25 0.45 -1.00 0.00 0.00 179.01 178.86 3d0h h HIS 239 N 0.83 0.48 -0.64 4.33 3.86 -1.44 -0.17 115.15 122.40 3d0h h HIS 239 Ca 0.51 -0.18 0.10 0.00 -1.16 0.00 0.00 60.37 59.64 3d0h h HIS 239 Cb 0.64 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.94 3d0h h HIS 239 CO -0.03 0.87 0.24 1.25 0.86 0.00 0.00 177.93 181.12 3d0h h LEU 240 N -0.05 0.22 0.22 2.43 7.12 -0.44 0.66 115.31 125.46 3d0h h LEU 240 Ca 0.00 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 3d0h h LEU 240 Cb 0.85 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 3d0h h LEU 240 CO 0.06 0.12 -0.23 -0.74 -0.13 0.00 0.00 178.44 177.52 3d0h h HIS 241 N 0.41 -0.65 -0.99 1.25 2.76 0.44 -2.49 115.15 115.87 3d0h h HIS 241 Ca 0.33 0.01 0.28 0.00 -2.20 0.00 0.00 60.37 58.78 3d0h h HIS 241 Cb 0.43 0.25 -0.18 0.00 1.55 0.00 0.00 27.41 29.46 3d0h h HIS 241 CO -0.17 -0.31 0.04 0.00 -1.30 0.00 0.00 177.93 176.19 3d0h h ALA 242 N -1.34 1.21 0.42 5.26 0.00 0.54 -0.94 119.26 124.42 3d0h h ALA 242 Ca -0.03 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3d0h h ALA 242 Cb 0.40 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3d0h h ALA 242 CO -0.04 -0.59 -0.20 -0.92 0.00 0.00 0.00 179.25 177.50 3d0h h TYR 243 N 0.00 -0.53 -0.71 0.00 3.20 -0.86 -2.98 116.97 115.10 3d0h h TYR 243 Ca 0.61 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.67 3d0h h TYR 243 Cb 1.28 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.69 3d0h h TYR 243 CO -0.49 -0.33 0.50 -0.39 -1.64 0.00 0.00 178.16 175.82 3d0h h VAL 244 N -0.61 0.66 0.72 1.81 -1.51 -0.86 -0.90 116.25 115.56 3d0h h VAL 244 Ca -0.06 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.36 3d0h h VAL 244 Cb 0.44 0.62 0.01 0.00 -2.13 0.00 0.00 31.29 30.22 3d0h h VAL 244 CO 0.10 0.01 -0.35 -0.09 -1.23 0.00 0.00 177.57 176.01 3d0h h ARG 245 N 0.04 -0.93 -0.78 5.19 2.43 -1.19 0.78 114.38 119.92 3d0h h ARG 245 Ca 0.34 0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.75 3d0h h ARG 245 Cb 1.29 0.21 -0.14 0.00 -0.42 0.00 0.00 29.97 30.92 3d0h h ARG 245 CO -0.02 -0.62 -0.04 0.00 -1.51 0.00 0.00 179.97 177.78 3d0h h ALA 246 N -1.49 0.75 -0.64 2.80 0.00 -1.20 0.57 119.26 120.05 3d0h h ALA 246 Ca -0.10 0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3d0h h ALA 246 Cb 0.74 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3d0h h ALA 246 CO 0.16 -0.43 0.33 0.87 0.00 0.00 0.00 179.25 180.18 3d0h h LYS 247 N 0.07 0.58 0.00 0.00 1.79 -0.85 -1.52 116.57 116.65 3d0h h LYS 247 Ca 0.42 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.83 3d0h h LYS 247 Cb 0.73 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 3d0h h LYS 247 CO -0.71 0.38 -0.13 -0.07 -1.08 0.00 0.00 179.45 177.84 3d0h h LEU 248 N 0.60 0.00 -0.87 2.94 3.38 0.54 -2.63 115.31 119.27 3d0h h LEU 248 Ca 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 3d0h h LEU 248 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3d0h h LEU 248 CO -0.21 0.13 0.13 0.24 0.09 0.00 0.00 178.44 178.82 3d0h h MET 249 N 0.00 0.97 -0.16 1.13 2.86 0.64 -1.17 114.93 119.20 3d0h h MET 249 Ca -0.00 -0.22 -0.20 0.00 -2.06 0.00 0.00 59.70 57.21 3d0h h MET 249 Cb 0.65 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3d0h h MET 249 CO 0.02 0.88 -0.70 -0.91 1.06 0.00 0.00 176.91 177.25 3d0h h ASN 250 N 0.92 0.81 -0.45 1.22 2.35 -1.35 -2.40 115.58 116.68 3d0h h ASN 250 Ca 0.19 -0.50 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 3d0h h ASN 250 Cb 0.36 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3d0h h ASN 250 CO 0.00 1.28 0.10 0.00 -1.65 0.00 0.00 177.43 177.16 3d0h h ALA 251 N 0.72 0.59 -2.37 -0.83 0.00 -1.32 -3.31 119.26 112.73 3d0h h ALA 251 Ca -0.03 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.08 3d0h h ALA 251 Cb 1.31 -0.17 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 3d0h h ALA 251 CO 0.14 0.28 -0.68 0.66 0.00 0.00 0.00 179.25 179.65 3d0h n TYR 252 N -4.50 2.72 -1.75 0.00 4.01 -0.47 -5.08 117.16 112.10 3d0h n TYR 252 Ca 0.00 -4.06 -0.39 0.00 -0.16 0.00 0.00 57.90 53.29 3d0h n TYR 252 Cb 0.22 -0.50 0.03 0.00 -0.31 0.00 0.00 39.34 38.78 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 1.29 1.97 0.00 -0.72 -0.02 -0.90 -2.40 135.00 134.21 3d0h n PRO 253 Ca 0.26 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3d0h n PRO 253 Cb 0.42 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.51 0.00 0.19 2.55 3.41 -1.26 -4.80 113.62 113.20 3d0h n SER 254 Ca 0.08 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.83 3d0h n SER 254 Cb 0.43 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.90 3d0h n SER 254 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3d0h h TYR 255 N 0.00 0.00 -3.80 7.33 -1.99 -1.81 -3.45 116.97 113.25 3d0h h TYR 255 Ca 0.00 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.05 3d0h h TYR 255 Cb 0.00 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 38.53 3d0h h TYR 255 CO 0.00 0.00 -0.80 0.42 -0.00 0.00 0.00 178.16 177.78 3d0h s ILE 256 N -3.41 2.81 -0.18 -2.88 1.01 -1.26 -4.89 121.20 112.40 3d0h s ILE 256 Ca 0.04 -1.43 -0.08 0.00 0.00 0.00 0.00 60.65 59.19 3d0h s ILE 256 Cb 0.09 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3d0h s ILE 256 CO 0.50 0.16 0.07 -0.55 0.00 0.00 0.00 174.94 175.13 3d0h s SER 257 N -1.95 5.75 0.53 3.58 0.15 -1.26 -4.99 113.70 115.50 3d0h s SER 257 Ca 0.17 0.12 0.30 0.00 0.70 0.00 0.00 55.95 57.23 3d0h s SER 257 Cb -0.11 -1.99 1.44 0.00 -1.71 0.00 0.00 66.02 63.66 3d0h s SER 257 CO 0.09 0.18 1.90 -0.65 1.20 0.00 0.00 173.24 175.96 3d0h h PRO 258 N 6.65 0.03 -0.01 5.44 0.11 -1.98 0.29 132.00 142.53 3d0h h PRO 258 Ca -0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3d0h h PRO 258 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3d0h h PRO 258 CO 0.71 0.02 -0.42 0.44 -0.21 0.00 0.00 178.00 178.55 3d0h n ILE 259 N -4.30 0.00 -2.66 4.15 -5.35 -1.26 -4.44 119.36 105.50 3d0h n ILE 259 Ca 0.17 -0.29 -0.21 0.00 -0.27 0.00 0.00 62.75 62.15 3d0h n ILE 259 Cb 0.89 1.14 0.04 0.00 -1.74 0.00 0.00 39.64 39.97 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 -2.00 1.81 1.23 3.28 0.00 0.10 -1.56 107.32 110.19 3d0h s GLY 260 Ca 0.11 -1.31 -0.19 0.00 0.00 0.00 0.00 44.72 43.34 3d0h s GLY 260 CO 0.45 -1.03 1.06 0.00 0.00 0.00 0.00 173.10 173.57 3d0h s LEU 262 N -7.13 4.07 -0.20 0.00 1.43 -0.73 -4.69 118.68 111.44 3d0h s LEU 262 Ca 0.69 0.25 -0.37 0.00 -1.03 0.00 0.00 54.13 53.68 3d0h s LEU 262 Cb -0.13 -2.33 -0.13 0.00 0.03 0.00 0.00 46.19 43.63 3d0h s LEU 262 CO 0.57 -0.09 1.87 -2.65 0.23 0.00 0.00 176.35 176.28 3d0h n PRO 263 N 4.91 1.65 0.15 1.29 -0.02 -1.26 -1.27 135.00 140.45 3d0h n PRO 263 Ca -0.11 0.59 0.17 0.00 -2.02 0.00 0.00 63.50 62.13 3d0h n PRO 263 Cb 0.51 -2.42 0.76 0.00 -0.02 0.00 0.00 33.50 32.33 3d0h n PRO 263 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d0h h ALA 264 N 8.83 2.04 -0.00 3.55 0.00 -1.01 -0.41 119.26 132.25 3d0h h ALA 264 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3d0h h ALA 264 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3d0h h ALA 264 CO 0.96 -0.35 -0.02 -2.39 0.00 0.00 0.00 179.25 177.45 3d0h n HIS 265 N -4.08 0.00 -1.30 0.00 1.44 -1.26 -3.54 115.22 106.48 3d0h n HIS 265 Ca 0.03 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.54 3d0h n HIS 265 Cb 0.37 -0.28 0.18 0.00 0.12 0.00 0.00 29.99 30.38 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 -1.25 6.20 -0.77 2.39 4.77 -0.16 -4.71 117.00 123.47 3d0h n LEU 266 Ca 0.14 -3.70 0.07 0.00 -0.03 0.00 0.00 56.01 52.49 3d0h n LEU 266 Cb 0.25 -0.80 0.20 0.00 -2.33 0.00 0.00 43.42 40.74 3d0h n LEU 266 CO 0.23 1.13 0.66 0.18 -1.33 0.00 0.00 177.39 178.27 3d0h n LEU 267 N -1.13 3.32 0.00 2.23 4.77 -1.23 -4.99 117.00 119.97 3d0h n LEU 267 Ca 0.54 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 3d0h n LEU 267 Cb 1.48 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 3d0h n LEU 267 CO 0.52 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 3d0h n GLY 268 N 0.24 2.95 3.52 -0.72 0.00 -1.26 -4.30 105.19 105.62 3d0h n GLY 268 Ca 0.15 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 0.13 -1.55 0.02 1.61 3.85 -1.22 -3.71 116.55 115.68 3d0h n ASP 269 Ca 0.00 -2.90 0.01 0.00 -0.71 0.00 0.00 54.79 51.20 3d0h n ASP 269 Cb 0.00 2.82 0.07 0.00 -1.35 0.00 0.00 41.12 42.66 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 -0.59 0.02 0.00 0.11 0.00 -1.26 -2.82 117.12 112.57 3d0h n MET 270 Ca -0.01 0.49 0.00 0.00 -0.00 0.00 0.00 57.70 58.18 3d0h n MET 270 Cb 0.60 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 32.23 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 -1.56 0.00 -0.71 1.12 8.01 -1.26 -4.99 117.44 118.05 3d0h n TRP 271 Ca -0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3d0h n TRP 271 Cb 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.34 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 0.33 0.57 0.34 6.99 0.00 -1.13 -4.96 105.19 107.33 3d0h n GLY 272 Ca 0.00 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 0.16 0.84 -4.15 1.61 2.43 -1.89 -3.39 114.38 109.99 3d0h h ARG 273 Ca 0.00 -0.05 -0.43 0.00 -0.81 0.00 0.00 59.98 58.69 3d0h h ARG 273 Cb 0.00 -0.19 -0.34 0.00 -0.42 0.00 0.00 29.97 29.03 3d0h h ARG 273 CO 0.00 0.55 -0.78 -0.06 -1.51 0.00 0.00 179.97 178.17 3d0h s PHE 274 N -5.98 0.89 -1.06 2.20 0.40 -1.26 -3.78 117.98 109.38 3d0h s PHE 274 Ca -0.12 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 3d0h s PHE 274 Cb 0.21 -0.73 0.12 0.00 0.51 0.00 0.00 43.02 43.13 3d0h s PHE 274 CO 0.80 -0.20 0.76 0.91 0.70 0.00 0.00 175.22 178.18 3d0h n TRP 275 N 3.94 0.29 -0.25 0.36 8.01 -0.48 -4.33 117.44 124.98 3d0h n TRP 275 Ca -0.25 -0.11 0.03 0.00 -1.31 0.00 0.00 57.50 55.87 3d0h n TRP 275 Cb 0.51 -0.14 0.12 0.00 -2.01 0.00 0.00 31.31 29.80 3d0h n TRP 275 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.69 177.83 3d0h h THR 276 N 0.62 0.30 0.00 -0.99 2.02 -1.82 -1.34 112.91 111.70 3d0h h THR 276 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3d0h h THR 276 Cb 0.64 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3d0h h THR 276 CO 0.06 0.01 0.00 0.59 0.37 0.00 0.00 175.52 176.55 3d0h n ASN 277 N -5.42 0.00 0.09 4.18 5.03 -1.26 -2.30 115.26 115.59 3d0h n ASN 277 Ca 0.12 -0.39 0.13 0.00 0.87 0.00 0.00 54.58 55.30 3d0h n ASN 277 Cb 0.43 -0.13 0.45 0.00 -1.02 0.00 0.00 39.78 39.51 3d0h n ASN 277 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3d0h n LEU 278 N -1.13 0.63 -0.11 3.41 4.77 -0.50 -3.89 117.00 120.18 3d0h n LEU 278 Ca 0.14 0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 56.65 3d0h n LEU 278 Cb 0.12 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3d0h n LEU 278 CO 0.14 -0.27 0.78 0.22 -1.33 0.00 0.00 177.39 176.93 3d0h h TYR 279 N 0.00 -0.25 -0.97 -1.77 3.20 -1.63 0.41 116.97 115.96 3d0h h TYR 279 Ca 0.00 0.04 0.32 0.00 3.14 0.00 0.00 58.73 62.22 3d0h h TYR 279 Cb 0.58 0.17 -0.17 0.00 1.54 0.00 0.00 36.73 38.85 3d0h h TYR 279 CO 0.00 -0.18 0.29 0.66 -1.64 0.00 0.00 178.16 177.28 3d0h h SER 280 N -0.02 -0.03 -0.26 -2.11 4.64 -1.85 -0.04 113.55 113.89 3d0h h SER 280 Ca 0.18 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3d0h h SER 280 Cb 0.31 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3d0h h SER 280 CO -0.40 -0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.23 3d0h n LEU 281 N -5.32 3.27 0.00 5.97 -0.00 -0.41 -4.45 117.00 116.06 3d0h n LEU 281 Ca 0.29 -2.54 0.00 0.00 -0.00 0.00 0.00 56.01 53.76 3d0h n LEU 281 Cb 0.94 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3d0h n LEU 281 CO -0.00 0.69 0.40 0.35 -0.00 0.00 0.00 177.39 178.82 3d0h n THR 282 N -0.15 0.62 -1.67 1.47 -2.24 0.00 -4.79 114.28 107.52 3d0h n THR 282 Ca 0.16 -0.68 -0.44 0.00 -2.27 0.00 0.00 64.05 60.81 3d0h n THR 282 Cb 0.64 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.31 0.66 -0.04 2.28 3.14 -0.43 -4.90 118.33 118.73 3d0h n VAL 283 Ca 0.00 -0.12 -0.09 0.00 -2.96 0.00 0.00 64.34 61.17 3d0h n VAL 283 Cb 0.28 -2.15 -0.03 0.00 -1.06 0.00 0.00 33.84 30.87 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 9.90 -0.32 -3.19 1.45 0.11 -1.91 -3.36 132.00 134.68 3d0h h PRO 284 Ca -0.49 0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.03 3d0h h PRO 284 Cb 1.25 0.07 -0.40 0.00 0.11 0.00 0.00 31.00 32.03 3d0h h PRO 284 CO 0.94 -0.21 -0.74 -0.06 -0.21 0.00 0.00 178.00 177.72 3d0h s PHE 285 N -6.01 2.00 -1.47 0.65 0.40 -1.26 -4.97 117.98 107.32 3d0h s PHE 285 Ca -0.15 -2.31 0.12 0.00 -0.60 0.00 0.00 56.93 53.99 3d0h s PHE 285 Cb 0.11 -1.90 0.61 0.00 0.51 0.00 0.00 43.02 42.36 3d0h s PHE 285 CO 0.67 -0.81 1.28 0.41 0.70 0.00 0.00 175.22 177.46 3d0h n GLY 286 N 3.86 -0.66 0.15 4.36 0.00 -1.26 -2.17 105.19 109.47 3d0h n GLY 286 Ca 0.06 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3d0h n GLY 286 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d0h h GLN 287 N 0.00 0.50 -6.55 1.61 1.08 -1.95 -3.47 115.11 106.33 3d0h h GLN 287 Ca 0.00 -0.77 -0.58 0.00 -1.45 0.00 0.00 58.65 55.85 3d0h h GLN 287 Cb 0.10 0.27 0.17 0.00 -0.05 0.00 0.00 27.48 27.97 3d0h h GLN 287 CO 0.00 1.35 -0.28 1.63 -0.95 0.00 0.00 178.83 180.59 3d0h n LYS 288 N -3.88 0.62 0.00 1.46 4.01 -0.92 -5.01 118.16 114.45 3d0h n LYS 288 Ca -0.15 0.24 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 3d0h n LYS 288 Cb 0.97 -1.78 0.00 0.00 -0.51 0.00 0.00 35.03 33.71 3d0h n LYS 288 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3d0h n PRO 289 N -0.15 0.00 -4.11 1.97 -0.05 -1.26 -5.08 135.00 126.33 3d0h n PRO 289 Ca 0.12 0.00 -0.18 0.00 -0.05 0.00 0.00 63.50 63.39 3d0h n PRO 289 Cb 0.46 0.00 -0.16 0.00 -0.05 0.00 0.00 33.50 33.75 3d0h n PRO 289 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3d0h s ASN 290 N -1.00 0.72 0.00 3.54 0.02 -1.26 -4.89 114.94 112.07 3d0h s ASN 290 Ca 0.00 -0.09 0.19 0.00 -1.02 0.00 0.00 52.86 51.93 3d0h s ASN 290 Cb 0.00 -0.31 0.44 0.00 0.02 0.00 0.00 41.25 41.40 3d0h s ASN 290 CO 0.00 -0.04 1.36 -0.38 0.02 0.00 0.00 177.10 178.06 3d0h n ILE 291 N 3.83 0.74 -3.03 0.60 2.08 -1.26 -4.88 119.36 117.44 3d0h n ILE 291 Ca -0.23 -0.87 -0.44 0.00 0.56 0.00 0.00 62.75 61.76 3d0h n ILE 291 Cb 0.52 0.74 -0.03 0.00 -0.75 0.00 0.00 39.64 40.12 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 -1.16 6.51 0.00 4.38 3.68 -1.26 -4.86 116.67 123.96 3d0h s ASP 292 Ca 0.36 -1.92 0.00 0.00 2.13 0.00 0.00 52.55 53.12 3d0h s ASP 292 Cb 0.20 -2.35 0.00 0.00 -1.45 0.00 0.00 42.92 39.32 3d0h s ASP 292 CO 0.27 -1.03 0.88 1.33 0.13 0.00 0.00 175.17 176.75 3d0h n VAL 293 N 5.28 0.00 -0.30 1.11 0.24 -1.26 -4.02 118.33 119.38 3d0h n VAL 293 Ca 0.12 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.55 3d0h n VAL 293 Cb 0.47 -0.10 0.29 0.00 -1.47 0.00 0.00 33.84 33.03 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 0.37 0.02 3.34 2.02 -1.89 0.46 112.91 117.24 3d0h h THR 294 Ca 0.00 -0.09 -0.23 0.00 0.77 0.00 0.00 66.41 66.86 3d0h h THR 294 Cb 0.08 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 3d0h h THR 294 CO 0.00 0.05 -1.11 0.44 0.37 0.00 0.00 175.52 175.27 3d0h h ASP 295 N 0.27 0.06 0.09 4.18 3.32 -1.90 -2.95 116.42 119.48 3d0h h ASP 295 Ca 0.55 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.49 3d0h h ASP 295 Cb 1.09 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 3d0h h ASP 295 CO -0.61 1.05 -0.16 0.00 -1.72 0.00 0.00 179.24 177.80 3d0h h ALA 296 N 0.94 1.56 0.01 3.45 0.00 -0.99 0.15 119.26 124.37 3d0h h ALA 296 Ca -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3d0h h ALA 296 Cb 1.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3d0h h ALA 296 CO 0.13 0.32 -0.00 0.52 0.00 0.00 0.00 179.25 180.22 3d0h h MET 297 N 0.14 -0.01 -0.46 0.00 2.86 -0.27 -3.28 114.93 113.92 3d0h h MET 297 Ca 0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3d0h h MET 297 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3d0h h MET 297 CO 0.02 0.62 0.29 0.28 1.06 0.00 0.00 176.91 179.19 3d0h h VAL 298 N -0.65 1.10 0.00 -2.22 2.07 -1.38 -1.39 116.25 113.79 3d0h h VAL 298 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3d0h h VAL 298 Cb 0.63 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3d0h h VAL 298 CO 0.00 0.11 0.00 0.47 0.02 0.00 0.00 177.57 178.17 3d0h n ASP 299 N -4.78 0.00 -0.16 0.57 8.00 0.51 -1.80 116.55 118.88 3d0h n ASP 299 Ca 0.02 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.55 3d0h n ASP 299 Cb 0.03 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.95 1.09 -4.10 -1.24 6.02 -0.53 -5.02 117.38 112.65 3d0h n GLN 300 Ca 0.00 -1.59 -0.30 0.00 -0.01 0.00 0.00 57.00 55.10 3d0h n GLN 300 Cb 0.00 -0.96 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 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 -0.62 -1.69 -2.55 -1.58 0.00 -0.75 -4.91 120.51 108.41 3d0h n ALA 301 Ca 0.06 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 3d0h n ALA 301 Cb 0.55 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 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 -3.71 3.21 0.58 0.00 0.52 -1.17 -5.05 118.94 113.31 3d0h s TRP 302 Ca 0.32 1.31 0.04 0.00 0.02 0.00 0.00 56.10 57.79 3d0h s TRP 302 Cb -0.17 -3.35 0.07 0.00 -1.15 0.00 0.00 33.47 28.86 3d0h s TRP 302 CO 0.91 -0.96 0.80 0.16 0.02 0.00 0.00 176.95 177.88 3d0h s ASP 303 N 1.46 5.06 0.52 2.95 -4.77 -1.26 -4.91 116.67 115.72 3d0h s ASP 303 Ca 0.51 -0.41 0.17 0.00 -3.30 0.00 0.00 52.55 49.52 3d0h s ASP 303 Cb -0.20 -0.29 1.29 0.00 -1.09 0.00 0.00 42.92 42.63 3d0h s ASP 303 CO 0.15 -1.31 2.13 0.00 0.70 0.00 0.00 175.17 176.84 3d0h h ALA 304 N 0.05 2.05 0.37 2.11 0.00 -1.93 -2.67 119.26 119.24 3d0h h ALA 304 Ca -0.37 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3d0h h ALA 304 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3d0h h ALA 304 CO 0.44 -0.07 -0.18 1.96 0.00 0.00 0.00 179.25 181.40 3d0h h GLN 305 N 0.00 -0.48 -0.93 0.00 1.08 -1.97 -3.09 115.11 109.71 3d0h h GLN 305 Ca 0.03 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 3d0h h GLN 305 Cb 0.11 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.60 3d0h h GLN 305 CO -0.00 -0.32 0.61 -0.09 -0.95 0.00 0.00 178.83 178.08 3d0h h ARG 306 N -0.50 1.18 -0.48 1.46 9.65 -1.87 -0.69 114.38 123.13 3d0h h ARG 306 Ca -0.05 -0.07 0.09 0.00 -1.10 0.00 0.00 59.98 58.85 3d0h h ARG 306 Cb 0.39 -0.27 -0.08 0.00 -1.39 0.00 0.00 29.97 28.63 3d0h h ARG 306 CO 0.08 0.78 0.02 0.82 2.80 0.00 0.00 179.97 184.48 3d0h h ILE 307 N 1.22 0.65 0.13 1.20 1.08 -1.44 -1.33 117.51 119.02 3d0h h ILE 307 Ca 0.35 -0.05 -0.19 0.00 -0.39 0.00 0.00 64.86 64.58 3d0h h ILE 307 Cb -0.08 0.50 0.02 0.00 -3.07 0.00 0.00 36.82 34.19 3d0h h ILE 307 CO -0.09 0.03 -0.88 -0.26 -0.69 0.00 0.00 178.15 176.25 3d0h h PHE 308 N 0.14 0.50 -1.00 1.37 0.04 -1.43 -2.40 116.94 114.17 3d0h h PHE 308 Ca 0.24 -0.37 0.20 0.00 2.80 0.00 0.00 57.97 60.84 3d0h h PHE 308 Cb 0.35 -0.02 -0.11 0.00 2.20 0.00 0.00 35.95 38.37 3d0h h PHE 308 CO -0.28 1.34 0.60 -0.22 -0.60 0.00 0.00 178.31 179.15 3d0h h LYS 309 N -0.39 0.71 0.45 1.51 1.63 -1.06 0.46 116.57 119.88 3d0h h LYS 309 Ca -0.17 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.57 3d0h h LYS 309 Cb 1.63 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.11 3d0h h LYS 309 CO 0.13 0.47 -0.22 1.49 -3.45 0.00 0.00 179.45 177.87 3d0h h GLU 310 N 0.74 -0.59 -0.43 1.90 4.57 -1.28 -2.02 114.58 117.47 3d0h h GLU 310 Ca 0.58 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.89 3d0h h GLU 310 Cb 0.93 0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 29.57 3d0h h GLU 310 CO -0.40 -0.33 -0.14 0.00 -1.18 0.00 0.00 179.01 176.96 3d0h h ALA 311 N -0.23 0.22 -0.47 2.92 0.00 -0.34 0.91 119.26 122.28 3d0h h ALA 311 Ca -0.06 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3d0h h ALA 311 Cb 0.52 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 3d0h h ALA 311 CO 0.10 -0.49 -0.39 1.49 0.00 0.00 0.00 179.25 179.97 3d0h h GLU 312 N -0.05 -0.25 -0.99 0.00 4.81 -0.15 -0.59 114.58 117.36 3d0h h GLU 312 Ca 0.21 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.62 3d0h h GLU 312 Cb 0.36 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.70 3d0h h GLU 312 CO -0.46 -0.17 0.61 -0.22 -0.73 0.00 0.00 179.01 178.03 3d0h h LYS 313 N -0.26 0.82 0.24 1.92 3.64 -0.14 0.44 116.57 123.22 3d0h h LYS 313 Ca 0.17 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3d0h h LYS 313 Cb 0.56 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3d0h h LYS 313 CO -0.60 0.54 -0.33 0.35 -2.27 0.00 0.00 179.45 177.13 3d0h h PHE 314 N 0.84 -0.94 -0.66 1.91 3.57 0.60 0.02 116.94 122.29 3d0h h PHE 314 Ca 0.54 0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.17 3d0h h PHE 314 Cb 0.73 0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.76 3d0h h PHE 314 CO -0.01 -0.42 0.23 0.74 -2.23 0.00 0.00 178.31 176.62 3d0h h PHE 315 N -0.59 0.39 -0.99 0.41 0.04 -0.98 0.25 116.94 115.47 3d0h h PHE 315 Ca -0.03 0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.92 3d0h h PHE 315 Cb 0.54 -0.07 -0.09 0.00 2.20 0.00 0.00 35.95 38.52 3d0h h PHE 315 CO -0.26 0.06 0.62 0.28 -0.60 0.00 0.00 178.31 178.41 3d0h h VAL 316 N 0.39 0.83 -0.46 -0.55 2.07 -0.47 -1.82 116.25 116.24 3d0h h VAL 316 Ca 0.34 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3d0h h VAL 316 Cb 0.48 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 3d0h h VAL 316 CO -0.36 0.16 0.22 0.77 0.02 0.00 0.00 177.57 178.38 3d0h h SER 317 N 0.88 0.31 0.00 0.57 4.64 0.10 -1.90 113.55 118.15 3d0h h SER 317 Ca 0.52 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3d0h h SER 317 Cb 0.67 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3d0h h SER 317 CO -0.30 0.22 0.00 1.33 -0.87 0.00 0.00 176.83 177.21 3d0h n VAL 318 N -4.92 0.00 0.00 0.95 0.24 -0.71 -4.03 118.33 109.87 3d0h n VAL 318 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3d0h n VAL 318 Cb 0.13 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 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 0.89 2.22 3.73 7.63 0.00 -0.71 -2.89 105.19 116.06 3d0h n GLY 319 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 1.92 0.79 0.99 1.43 -1.09 -4.97 118.68 117.76 3d0h s LEU 320 Ca 0.00 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 3d0h s LEU 320 Cb 0.00 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 42.83 3d0h s LEU 320 CO 0.00 -2.76 1.15 -2.16 0.23 0.00 0.00 176.35 172.81 3d0h s PRO 321 N -5.08 1.93 1.08 1.29 0.04 -1.26 -3.97 135.00 129.04 3d0h s PRO 321 Ca 0.64 -0.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.53 3d0h s PRO 321 Cb -0.17 -2.00 0.24 0.00 0.04 0.00 0.00 34.50 32.61 3d0h s PRO 321 CO 0.56 -1.56 1.07 -0.80 0.04 0.00 0.00 177.00 176.30 3d0h s ASN 322 N -4.59 1.80 0.09 6.66 0.01 -1.26 -4.52 114.94 113.14 3d0h s ASN 322 Ca 0.62 1.25 -0.30 0.00 -0.71 0.00 0.00 52.86 53.72 3d0h s ASN 322 Cb -0.10 -1.95 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 3d0h s ASN 322 CO 0.48 -3.65 0.98 -0.04 -1.51 0.00 0.00 177.10 173.37 3d0h s MET 323 N -4.79 4.65 0.40 -0.60 -1.94 -1.26 -4.99 119.30 110.77 3d0h s MET 323 Ca 0.67 1.48 -0.25 0.00 -1.71 0.00 0.00 55.69 55.87 3d0h s MET 323 Cb -0.21 -3.38 -0.11 0.00 2.01 0.00 0.00 34.83 33.14 3d0h s MET 323 CO 0.60 0.14 1.12 0.25 -0.01 0.00 0.00 175.02 177.12 3d0h n THR 324 N 3.00 2.39 -0.35 2.05 -2.24 -1.26 -4.80 114.28 113.08 3d0h n THR 324 Ca 0.03 -0.50 0.26 0.00 -2.27 0.00 0.00 64.05 61.58 3d0h n THR 324 Cb 0.49 -1.31 0.55 0.00 -2.10 0.00 0.00 70.33 67.96 3d0h n THR 324 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3d0h h GLN 325 N 1.85 0.30 -0.64 -0.78 4.15 -2.00 0.62 115.11 118.62 3d0h h GLN 325 Ca -0.45 -0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.08 3d0h h GLN 325 Cb 1.32 -0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.84 3d0h h GLN 325 CO 0.59 0.20 0.05 0.78 -1.93 0.00 0.00 178.83 178.51 3d0h h GLY 326 N 0.31 0.73 0.20 2.39 0.00 -1.92 -1.15 103.07 103.63 3d0h h GLY 326 Ca 0.65 0.05 0.07 0.00 0.00 0.00 0.00 47.33 48.10 3d0h h GLY 326 CO -0.32 -0.19 -0.16 -2.75 0.00 0.00 0.00 176.54 173.11 3d0h h PHE 327 N 0.16 -0.41 -0.60 5.60 3.04 0.15 0.19 116.94 125.07 3d0h h PHE 327 Ca 0.34 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.31 3d0h h PHE 327 Cb 0.55 0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.26 3d0h h PHE 327 CO -0.33 -0.24 0.31 -1.49 -2.02 0.00 0.00 178.31 174.53 3d0h h TRP 328 N -0.12 0.85 0.00 0.41 -0.00 -1.39 -1.46 115.95 114.25 3d0h h TRP 328 Ca 0.16 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.96 3d0h h TRP 328 Cb 0.37 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.25 3d0h h TRP 328 CO -0.37 0.64 -0.27 0.93 -0.00 0.00 0.00 178.44 179.37 3d0h h GLU 329 N 0.82 0.00 0.00 0.49 5.08 -0.45 -3.37 114.58 117.14 3d0h h GLU 329 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3d0h h GLU 329 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3d0h h GLU 329 CO -0.03 0.27 -0.94 0.09 -1.00 0.00 0.00 179.01 177.40 3d0h n ASN 330 N -3.56 3.09 -4.80 1.42 3.02 0.61 -5.05 115.26 109.99 3d0h n ASN 330 Ca -0.01 -0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.06 3d0h n ASN 330 Cb 0.41 1.14 -0.02 0.00 -0.61 0.00 0.00 39.78 40.70 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 -2.20 6.14 -0.35 6.41 0.01 -0.56 -4.95 113.70 118.20 3d0h s SER 331 Ca -0.01 1.92 -0.08 0.00 1.31 0.00 0.00 55.95 59.09 3d0h s SER 331 Cb 0.03 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.74 3d0h s SER 331 CO 0.17 -0.92 0.14 -0.32 0.41 0.00 0.00 173.24 172.72 3d0h s MET 332 N -3.46 2.71 -0.17 12.44 1.75 -0.97 -4.97 119.30 126.64 3d0h s MET 332 Ca 0.67 -1.13 0.10 0.00 -1.25 0.00 0.00 55.69 54.08 3d0h s MET 332 Cb -0.17 -3.56 -0.18 0.00 2.84 0.00 0.00 34.83 33.77 3d0h s MET 332 CO 0.25 -0.67 -0.02 1.28 -0.65 0.00 0.00 175.02 175.21 3d0h n LEU 333 N 4.88 0.95 -4.34 4.11 7.99 -1.26 -2.15 117.00 127.18 3d0h n LEU 333 Ca -0.12 -0.03 -0.32 0.00 -0.01 0.00 0.00 56.01 55.52 3d0h n LEU 333 Cb 0.45 0.04 -0.15 0.00 -0.11 0.00 0.00 43.42 43.65 3d0h n LEU 333 CO 0.33 0.54 -0.53 0.42 -1.51 0.00 0.00 177.39 176.64 3d0h s THR 334 N -2.39 2.40 -0.10 -5.08 -4.23 -1.25 -0.77 115.64 104.22 3d0h s THR 334 Ca -0.14 -0.95 -0.41 0.00 -1.18 0.00 0.00 61.69 59.01 3d0h s THR 334 Cb 0.05 -1.90 -0.19 0.00 1.34 0.00 0.00 72.50 71.81 3d0h s THR 334 CO 0.59 0.57 1.27 -0.67 -0.54 0.00 0.00 174.62 175.85 3d0h n ASP 335 N 2.72 0.71 -0.06 3.99 4.64 -1.26 -4.80 116.55 122.49 3d0h n ASP 335 Ca -0.17 1.15 0.00 0.00 -1.38 0.00 0.00 54.79 54.39 3d0h n ASP 335 Cb 0.52 -0.98 0.00 0.00 -1.04 0.00 0.00 41.12 39.62 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 2.45 0.75 0.00 -0.67 -0.02 -1.26 -4.99 135.00 131.27 3d0h n PRO 336 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3d0h n PRO 336 Cb 0.08 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.24 1.15 0.00 -1.23 0.00 -1.26 -4.50 105.19 99.58 3d0h n GLY 337 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.67 0.00 0.00 1.61 6.94 -1.26 -4.16 115.26 120.06 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 0.00 0.00 -3.82 3.53 0.31 -1.26 -3.50 118.33 113.60 3d0h n VAL 339 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3d0h n VAL 339 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 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 2.37 0.53 5.55 0.74 -1.26 -5.09 119.66 122.50 3d0h s GLN 340 Ca 0.00 -2.67 -0.10 0.00 0.05 0.00 0.00 55.36 52.65 3d0h s GLN 340 Cb 0.00 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 3d0h s GLN 340 CO 0.00 -1.16 0.91 0.15 -0.55 0.00 0.00 175.29 174.64 3d0h s LYS 341 N -0.32 3.64 0.17 1.67 1.02 -1.23 -4.50 119.74 120.18 3d0h s LYS 341 Ca 0.18 0.55 -0.10 0.00 0.02 0.00 0.00 55.97 56.62 3d0h s LYS 341 Cb -0.21 -2.23 -0.00 0.00 -0.52 0.00 0.00 37.83 34.87 3d0h s LYS 341 CO -0.03 -0.35 0.31 0.00 -0.92 0.00 0.00 175.35 174.37 3d0h s ALA 342 N -2.87 -0.11 0.61 5.17 0.00 -1.26 -2.29 121.76 121.00 3d0h s ALA 342 Ca 0.52 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 3d0h s ALA 342 Cb -0.11 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3d0h s ALA 342 CO 0.46 -0.66 1.06 0.14 0.00 0.00 0.00 175.76 176.75 3d0h s VAL 343 N -3.96 3.79 -0.13 0.00 -7.23 -1.03 -5.02 120.40 106.82 3d0h s VAL 343 Ca 0.16 0.82 0.02 0.00 -1.81 0.00 0.00 61.98 61.18 3d0h s VAL 343 Cb 0.03 -3.36 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 3d0h s VAL 343 CO -0.00 -0.52 0.15 0.00 -0.31 0.00 0.00 175.10 174.41 3d0h n HIS 345 N -0.93 1.92 -2.13 0.00 8.25 -1.26 -3.91 115.22 117.16 3d0h n HIS 345 Ca 0.01 0.43 -0.42 0.00 -0.26 0.00 0.00 57.72 57.48 3d0h n HIS 345 Cb 0.04 -2.45 -0.03 0.00 1.12 0.00 0.00 29.99 28.67 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 1.32 4.27 0.03 -0.41 0.02 -1.26 -4.60 135.00 134.38 3d0h s PRO 346 Ca 0.85 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 63.92 3d0h s PRO 346 Cb -0.84 -3.48 -0.02 0.00 0.02 0.00 0.00 34.50 30.18 3d0h s PRO 346 CO 0.46 -0.58 0.05 0.95 -0.33 0.00 0.00 177.00 177.55 3d0h s THR 347 N 2.08 0.14 -0.22 0.99 -4.23 -0.30 -5.02 115.64 109.08 3d0h s THR 347 Ca 0.67 -1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 59.94 3d0h s THR 347 Cb -0.35 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 3d0h s THR 347 CO 0.29 -0.64 0.09 0.00 -0.54 0.00 0.00 174.62 173.82 3d0h s ALA 348 N -2.49 3.35 -0.26 3.99 0.00 -1.26 -2.18 121.76 122.91 3d0h s ALA 348 Ca -0.06 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 3d0h s ALA 348 Cb -0.02 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 3d0h s ALA 348 CO -0.04 -0.19 0.10 -1.58 0.00 0.00 0.00 175.76 174.04 3d0h s TRP 349 N 1.07 3.12 -0.75 0.00 0.52 0.64 -5.00 118.94 118.54 3d0h s TRP 349 Ca 0.05 -0.29 -0.03 0.00 0.02 0.00 0.00 56.10 55.84 3d0h s TRP 349 Cb -0.14 -2.27 0.19 0.00 -1.15 0.00 0.00 33.47 30.10 3d0h s TRP 349 CO 0.04 -0.31 0.60 0.34 0.02 0.00 0.00 176.95 177.63 3d0h s ASP 350 N 1.64 5.65 0.18 2.95 3.68 -1.26 -1.95 116.67 127.55 3d0h s ASP 350 Ca 0.06 -3.17 -0.02 0.00 2.13 0.00 0.00 52.55 51.55 3d0h s ASP 350 Cb -0.15 -1.91 0.06 0.00 -1.45 0.00 0.00 42.92 39.47 3d0h s ASP 350 CO 0.05 -0.32 1.44 -0.07 0.13 0.00 0.00 175.17 176.41 3d0h h LEU 351 N 6.70 0.52 0.00 -1.34 4.07 -1.88 -3.50 115.31 119.88 3d0h h LEU 351 Ca 0.06 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3d0h h LEU 351 Cb 0.91 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.49 3d0h h LEU 351 CO 0.77 1.07 0.00 0.61 -1.08 0.00 0.00 178.44 179.80 3d0h n GLY 352 N 0.51 0.34 3.85 0.83 0.00 -1.25 -4.22 105.19 105.24 3d0h n GLY 352 Ca -0.04 -2.26 -0.26 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 0.00 -0.74 -4.38 1.61 5.02 -1.26 0.57 118.16 118.98 3d0h n LYS 353 Ca 0.00 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 3d0h n LYS 353 Cb 0.00 -1.95 -0.08 0.00 -0.02 0.00 0.00 35.03 32.98 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 -1.93 -0.37 3.08 0.72 0.00 -1.26 -4.91 105.19 100.52 3d0h n GLY 354 Ca -0.16 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.15 4.62 0.19 1.61 2.15 0.19 -5.03 116.67 117.26 3d0h s ASP 355 Ca 0.78 -1.56 0.08 0.00 0.43 0.00 0.00 52.55 52.28 3d0h s ASP 355 Cb -0.45 -1.61 -0.04 0.00 -0.30 0.00 0.00 42.92 40.52 3d0h s ASP 355 CO 0.97 -0.26 -0.02 -0.36 -0.17 0.00 0.00 175.17 175.34 3d0h s PHE 356 N 1.09 2.78 -0.18 -5.34 0.40 -1.26 -2.47 117.98 113.00 3d0h s PHE 356 Ca -0.03 -0.17 -0.34 0.00 -0.60 0.00 0.00 56.93 55.79 3d0h s PHE 356 Cb -0.20 -1.32 0.14 0.00 0.51 0.00 0.00 43.02 42.15 3d0h s PHE 356 CO -0.05 0.53 1.17 -0.98 0.70 0.00 0.00 175.22 176.60 3d0h s ARG 357 N -3.07 0.36 0.01 0.44 1.70 -0.83 -3.91 118.95 113.66 3d0h s ARG 357 Ca 0.28 -0.10 0.07 0.00 -0.47 0.00 0.00 55.73 55.50 3d0h s ARG 357 Cb -0.09 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 3d0h s ARG 357 CO 0.18 -0.15 -0.21 0.42 -1.08 0.00 0.00 175.30 174.46 3d0h s ILE 358 N -2.27 2.55 -0.20 4.99 1.01 -1.26 -0.26 121.20 125.77 3d0h s ILE 358 Ca 0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 3d0h s ILE 358 Cb -0.01 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.46 3d0h s ILE 358 CO -0.05 0.46 -0.11 -0.22 0.00 0.00 0.00 174.94 175.02 3d0h s LEU 359 N -1.04 2.57 -0.29 2.97 2.96 -0.93 -2.29 118.68 122.63 3d0h s LEU 359 Ca 0.12 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.41 3d0h s LEU 359 Cb -0.10 -1.62 0.10 0.00 0.50 0.00 0.00 46.19 45.07 3d0h s LEU 359 CO 0.02 0.00 0.67 -0.32 -1.32 0.00 0.00 176.35 175.40 3d0h s MET 360 N 1.31 0.64 -1.40 1.98 1.75 -0.92 -1.15 119.30 121.51 3d0h s MET 360 Ca 0.04 1.34 -0.12 0.00 -1.25 0.00 0.00 55.69 55.70 3d0h s MET 360 Cb -0.14 0.50 0.08 0.00 2.84 0.00 0.00 34.83 38.11 3d0h s MET 360 CO -0.06 -0.17 2.16 0.00 -0.65 0.00 0.00 175.02 176.29 3d0h n THR 362 N 4.28 0.15 -2.31 0.00 -1.04 0.05 -4.74 114.28 110.67 3d0h n THR 362 Ca 0.50 -0.44 -0.25 0.00 -2.04 0.00 0.00 64.05 61.82 3d0h n THR 362 Cb 0.37 -2.14 0.07 0.00 -1.82 0.00 0.00 70.33 66.80 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 6.99 2.18 -0.48 -2.82 3.01 -1.26 -4.78 119.74 122.58 3d0h s LYS 363 Ca 1.06 -0.43 0.01 0.00 -1.01 0.00 0.00 55.97 55.60 3d0h s LYS 363 Cb -0.55 -2.24 0.46 0.00 -1.01 0.00 0.00 37.83 34.50 3d0h s LYS 363 CO 0.39 -1.18 1.92 0.28 0.51 0.00 0.00 175.35 177.27 3d0h n VAL 364 N -2.82 3.16 -2.84 3.17 0.31 -1.26 -4.75 118.33 113.29 3d0h n VAL 364 Ca 0.09 -2.14 -0.33 0.00 -0.01 0.00 0.00 64.34 61.95 3d0h n VAL 364 Cb 0.60 -0.92 -0.06 0.00 -0.91 0.00 0.00 33.84 32.55 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 -3.51 4.50 0.37 2.52 2.01 -1.26 -4.65 115.64 115.63 3d0h s THR 365 Ca 0.52 1.27 0.04 0.00 0.31 0.00 0.00 61.69 63.83 3d0h s THR 365 Cb 0.42 -3.63 0.26 0.00 0.01 0.00 0.00 72.50 69.57 3d0h s THR 365 CO 0.04 -0.35 2.02 -0.03 -0.69 0.00 0.00 174.62 175.61 3d0h h MET 366 N 1.82 0.73 0.00 4.92 1.85 -1.86 -0.04 114.93 122.36 3d0h h MET 366 Ca -0.48 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 58.56 3d0h h MET 366 Cb 1.18 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 33.05 3d0h h MET 366 CO 0.62 0.49 -0.01 -0.44 -0.40 0.00 0.00 176.91 177.18 3d0h h ASP 367 N 0.76 0.00 0.10 1.39 3.32 -1.97 0.38 116.42 120.39 3d0h h ASP 367 Ca 0.20 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.89 3d0h h ASP 367 Cb -0.08 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3d0h h ASP 367 CO -0.04 0.01 -2.08 0.47 -1.72 0.00 0.00 179.24 175.87 3d0h n ASP 368 N -3.15 2.09 -0.24 6.45 9.92 -0.22 -1.81 116.55 129.59 3d0h n ASP 368 Ca -0.02 0.15 0.02 0.00 -0.53 0.00 0.00 54.79 54.41 3d0h n ASP 368 Cb 0.14 -0.78 0.26 0.00 -0.64 0.00 0.00 41.12 40.10 3d0h n ASP 368 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3d0h h PHE 369 N 0.03 0.95 0.17 1.24 3.04 -0.47 0.75 116.94 122.65 3d0h h PHE 369 Ca -0.45 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.51 3d0h h PHE 369 Cb 1.99 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 40.18 3d0h h PHE 369 CO 0.07 0.56 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.77 3d0h h LEU 370 N 0.99 -0.19 -1.00 0.59 3.38 -0.41 -3.20 115.31 115.46 3d0h h LEU 370 Ca 0.31 -0.30 0.15 0.00 0.09 0.00 0.00 57.88 58.13 3d0h h LEU 370 Cb 0.02 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 3d0h h LEU 370 CO -0.09 0.23 0.62 0.74 0.09 0.00 0.00 178.44 180.04 3d0h h THR 371 N -0.66 0.83 -0.46 0.22 2.02 -0.77 -0.22 112.91 113.87 3d0h h THR 371 Ca -0.02 -0.31 0.09 0.00 0.77 0.00 0.00 66.41 66.94 3d0h h THR 371 Cb 0.48 -0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 66.64 3d0h h THR 371 CO 0.04 0.16 -0.33 0.00 0.37 0.00 0.00 175.52 175.76 3d0h h ALA 372 N 1.58 -0.14 -0.03 6.16 0.00 0.46 -0.96 119.26 126.34 3d0h h ALA 372 Ca 0.53 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.60 3d0h h ALA 372 Cb 0.66 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 3d0h h ALA 372 CO -0.32 -0.71 -0.21 0.45 0.00 0.00 0.00 179.25 178.46 3d0h h HIS 373 N -0.22 -0.55 -0.80 0.00 -0.00 -1.04 -0.87 115.15 111.66 3d0h h HIS 373 Ca 0.19 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.72 3d0h h HIS 373 Cb 0.54 0.25 -0.09 0.00 -0.00 0.00 0.00 27.41 28.11 3d0h h HIS 373 CO -0.57 -0.29 0.38 1.25 -0.00 0.00 0.00 177.93 178.69 3d0h h HIS 374 N -0.32 0.66 -0.25 2.45 6.17 -1.06 0.58 115.15 123.39 3d0h h HIS 374 Ca 0.07 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.11 3d0h h HIS 374 Cb 0.41 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.16 3d0h h HIS 374 CO -0.27 0.14 -0.14 0.93 0.71 0.00 0.00 177.93 179.30 3d0h h GLU 375 N 0.56 0.54 0.00 5.26 4.39 -0.70 -3.02 114.58 121.60 3d0h h GLU 375 Ca 0.43 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3d0h h GLU 375 Cb 0.62 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3d0h h GLU 375 CO -0.37 0.81 0.00 -0.12 -1.16 0.00 0.00 179.01 178.17 3d0h n MET 376 N -4.46 0.20 0.45 2.33 1.56 -0.38 -1.98 117.12 114.85 3d0h n MET 376 Ca -0.04 0.35 -0.19 0.00 -0.27 0.00 0.00 57.70 57.55 3d0h n MET 376 Cb 0.37 -1.83 -0.09 0.00 2.15 0.00 0.00 33.22 33.81 3d0h n MET 376 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 3d0h h GLY 377 N 2.94 -1.19 -0.80 -5.12 0.00 -0.77 -2.14 103.07 95.98 3d0h h GLY 377 Ca 0.00 0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.86 3d0h h GLY 377 CO 0.00 -0.43 -0.53 0.45 0.00 0.00 0.00 176.54 176.03 3d0h h HIS 378 N -1.16 -1.64 -0.98 5.60 -0.00 -1.37 -0.71 115.15 114.89 3d0h h HIS 378 Ca -0.12 0.11 0.14 0.00 -0.00 0.00 0.00 60.37 60.51 3d0h h HIS 378 Cb 0.88 0.82 -0.09 0.00 -0.00 0.00 0.00 27.41 29.02 3d0h h HIS 378 CO -0.01 -0.41 0.62 0.82 -0.00 0.00 0.00 177.93 178.95 3d0h h ILE 379 N -0.12 0.84 -0.46 2.45 1.08 -1.40 0.30 117.51 120.20 3d0h h ILE 379 Ca 0.17 -0.30 -0.12 0.00 -0.39 0.00 0.00 64.86 64.22 3d0h h ILE 379 Cb 0.50 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 3d0h h ILE 379 CO -0.84 0.16 -0.19 -0.61 -0.69 0.00 0.00 178.15 175.98 3d0h h GLN 380 N 0.87 0.92 -0.25 2.37 5.75 -0.51 -0.09 115.11 124.17 3d0h h GLN 380 Ca 0.51 -0.37 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3d0h h GLN 380 Cb 0.65 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 3d0h h GLN 380 CO -0.28 1.02 0.11 -0.92 -2.65 0.00 0.00 178.83 176.11 3d0h h TYR 381 N 0.80 0.37 -0.66 3.99 -0.00 0.52 0.29 116.97 122.28 3d0h h TYR 381 Ca 0.11 -0.02 0.01 0.00 -0.00 0.00 0.00 58.73 58.83 3d0h h TYR 381 Cb 0.74 -0.11 -0.03 0.00 -0.00 0.00 0.00 36.73 37.33 3d0h h TYR 381 CO 0.05 0.37 0.44 -0.44 -0.00 0.00 0.00 178.16 178.57 3d0h h ASP 382 N 0.25 0.74 0.17 -2.11 3.32 -0.21 -2.12 116.42 116.46 3d0h h ASP 382 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3d0h h ASP 382 Cb 0.15 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3d0h h ASP 382 CO -0.01 0.53 -0.08 0.24 -1.72 0.00 0.00 179.24 178.20 3d0h h MET 383 N 0.87 -0.22 -0.99 3.56 2.86 -0.73 -3.22 114.93 117.06 3d0h h MET 383 Ca 0.25 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 58.13 3d0h h MET 383 Cb -0.07 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.55 3d0h h MET 383 CO -0.06 0.18 0.64 0.00 1.06 0.00 0.00 176.91 178.73 3d0h h ALA 384 N -0.05 2.11 -0.63 6.32 0.00 -0.28 -0.73 119.26 126.00 3d0h h ALA 384 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d0h h ALA 384 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3d0h h ALA 384 CO 0.04 -0.47 0.00 2.48 0.00 0.00 0.00 179.25 181.30 3d0h n TYR 385 N -4.62 1.28 0.28 0.00 -0.00 -1.02 -4.37 117.16 108.71 3d0h n TYR 385 Ca 0.23 -0.59 0.15 0.00 -0.00 0.00 0.00 57.90 57.69 3d0h n TYR 385 Cb 0.76 -0.18 0.72 0.00 -0.00 0.00 0.00 39.34 40.64 3d0h n TYR 385 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3d0h h ALA 386 N 3.88 1.00 -0.62 -3.48 0.00 -1.13 -2.07 119.26 116.85 3d0h h ALA 386 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3d0h h ALA 386 Cb 1.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3d0h h ALA 386 CO 0.16 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.44 3d0h h ALA 387 N 2.07 0.87 -2.80 0.00 0.00 -1.79 -3.46 119.26 114.15 3d0h h ALA 387 Ca 0.00 -0.30 -0.53 0.00 0.00 0.00 0.00 54.91 54.07 3d0h h ALA 387 Cb 0.17 -0.23 0.14 0.00 0.00 0.00 0.00 17.79 17.86 3d0h h ALA 387 CO 0.00 0.67 0.44 -0.65 0.00 0.00 0.00 179.25 179.71 3d0h s GLN 388 N -5.07 2.53 0.40 0.00 -1.52 -0.78 -4.94 119.66 110.29 3d0h s GLN 388 Ca -0.12 1.81 -0.26 0.00 -1.95 0.00 0.00 55.36 54.85 3d0h s GLN 388 Cb 0.14 -1.87 -0.10 0.00 -0.22 0.00 0.00 33.01 30.95 3d0h s GLN 388 CO 0.85 -1.54 1.26 -0.35 -0.25 0.00 0.00 175.29 175.26 3d0h n PRO 389 N -2.17 1.94 -0.26 2.91 -0.04 -1.26 -4.74 135.00 131.37 3d0h n PRO 389 Ca 0.14 0.69 0.22 0.00 -0.04 0.00 0.00 63.50 64.51 3d0h n PRO 389 Cb 0.50 -2.35 0.41 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.09 0.83 1.69 0.54 7.35 -1.26 -0.08 117.46 126.44 3d0h n PHE 390 Ca 0.06 0.95 0.14 0.00 -0.76 0.00 0.00 57.45 57.84 3d0h n PHE 390 Cb 0.39 -1.30 0.82 0.00 0.35 0.00 0.00 39.48 39.74 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 -4.89 0.00 -0.27 -2.13 4.77 -1.26 -3.08 117.00 110.15 3d0h n LEU 391 Ca 0.27 0.08 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 3d0h n LEU 391 Cb 0.93 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.96 3d0h n LEU 391 CO -0.01 -0.01 0.30 0.18 -1.33 0.00 0.00 177.39 176.52 3d0h n LEU 392 N -1.08 1.42 -4.53 2.23 4.32 0.88 -4.90 117.00 115.34 3d0h n LEU 392 Ca 0.20 -0.89 -0.42 0.00 -0.02 0.00 0.00 56.01 54.87 3d0h n LEU 392 Cb 0.13 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 3d0h n LEU 392 CO 0.18 0.28 1.06 -0.13 -1.22 0.00 0.00 177.39 177.56 3d0h s ARG 393 N -0.91 3.21 0.00 3.23 0.52 -1.18 -1.40 118.95 122.43 3d0h s ARG 393 Ca 0.08 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 3d0h s ARG 393 Cb 0.07 -4.17 0.00 0.00 0.52 0.00 0.00 34.95 31.37 3d0h s ARG 393 CO 0.15 -2.00 0.00 -1.71 0.02 0.00 0.00 175.30 171.75 3d0h n ASN 394 N 8.86 0.00 -4.64 0.23 2.85 -1.26 -4.94 115.26 116.35 3d0h n ASN 394 Ca 0.02 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.14 3d0h n ASN 394 Cb 0.48 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.60 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 -0.30 -0.32 0.26 8.20 0.00 -1.26 -0.60 105.19 111.18 3d0h n GLY 395 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.50 0.76 -3.82 4.61 0.00 -1.92 -3.37 119.26 115.01 3d0h h ALA 396 Ca -0.47 0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 3d0h h ALA 396 Cb 1.32 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 3d0h h ALA 396 CO 0.46 -0.40 -0.19 0.27 0.00 0.00 0.00 179.25 179.39 3d0h n ASN 397 N -5.30 -0.61 -0.25 0.00 0.23 -1.26 -4.66 115.26 103.41 3d0h n ASN 397 Ca 0.12 -2.24 0.23 0.00 -0.53 0.00 0.00 54.58 52.16 3d0h n ASN 397 Cb 0.44 1.25 0.57 0.00 -2.08 0.00 0.00 39.78 39.96 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 0.28 -0.03 -3.83 4.11 -1.92 -1.29 114.58 111.90 3d0h h GLU 398 Ca -0.15 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.04 3d0h h GLU 398 Cb 0.72 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3d0h h GLU 398 CO 0.21 0.19 -0.89 0.78 0.07 0.00 0.00 179.01 179.37 3d0h h GLY 399 N 0.29 0.52 0.96 1.06 0.00 -1.95 -3.36 103.07 100.59 3d0h h GLY 399 Ca 0.49 -0.85 0.02 0.00 0.00 0.00 0.00 47.33 46.99 3d0h h GLY 399 CO -0.15 0.75 0.56 0.74 0.00 0.00 0.00 176.54 178.44 3d0h h PHE 400 N 0.28 1.05 -0.15 5.60 -1.00 -1.59 -2.02 116.94 119.11 3d0h h PHE 400 Ca -0.07 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.67 3d0h h PHE 400 Cb 1.51 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 40.72 3d0h h PHE 400 CO 0.06 0.64 -0.16 1.25 -1.61 0.00 0.00 178.31 178.49 3d0h h HIS 401 N 1.12 0.46 -0.60 -0.55 2.76 -1.70 -1.76 115.15 114.87 3d0h h HIS 401 Ca 0.32 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3d0h h HIS 401 Cb -0.08 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 3d0h h HIS 401 CO -0.02 0.77 0.24 0.93 -1.30 0.00 0.00 177.93 178.56 3d0h h GLU 402 N 0.01 0.87 -0.29 5.26 4.39 -1.74 -2.66 114.58 120.41 3d0h h GLU 402 Ca 0.02 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.62 3d0h h GLU 402 Cb 0.70 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 3d0h h GLU 402 CO 0.04 0.71 0.11 0.00 -1.16 0.00 0.00 179.01 178.71 3d0h h ALA 403 N 1.41 0.34 -0.56 3.43 0.00 -0.94 -1.28 119.26 121.66 3d0h h ALA 403 Ca 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3d0h h ALA 403 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3d0h h ALA 403 CO -0.02 -0.29 0.23 0.28 0.00 0.00 0.00 179.25 179.45 3d0h h VAL 404 N 0.25 1.20 -0.37 0.00 2.07 -1.27 -2.02 116.25 116.10 3d0h h VAL 404 Ca 0.13 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.09 3d0h h VAL 404 Cb 0.09 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 3d0h h VAL 404 CO -0.12 0.24 0.08 1.23 0.02 0.00 0.00 177.57 179.02 3d0h h GLY 405 N 0.92 0.44 0.83 2.17 0.00 -0.98 -3.21 103.07 103.23 3d0h h GLY 405 Ca 0.19 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 3d0h h GLY 405 CO -0.02 -0.02 -0.24 0.83 0.00 0.00 0.00 176.54 177.09 3d0h h GLU 406 N 0.21 0.49 -0.96 4.80 4.39 -0.58 -3.07 114.58 119.85 3d0h h GLU 406 Ca 0.17 -0.28 0.29 0.00 0.34 0.00 0.00 59.36 59.89 3d0h h GLU 406 Cb 0.20 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 28.72 3d0h h GLU 406 CO -0.22 0.86 0.45 0.82 -1.16 0.00 0.00 179.01 179.76 3d0h h ILE 407 N 0.15 0.30 0.48 3.13 1.08 -1.41 0.66 117.51 121.89 3d0h h ILE 407 Ca 0.02 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 3d0h h ILE 407 Cb 0.80 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 3d0h h ILE 407 CO 0.06 0.05 -0.23 0.24 -0.69 0.00 0.00 178.15 177.58 3d0h h MET 408 N 0.28 -0.62 -1.16 2.37 2.86 -1.58 -2.33 114.93 114.75 3d0h h MET 408 Ca 0.67 0.04 0.39 0.00 -2.06 0.00 0.00 59.70 58.74 3d0h h MET 408 Cb 1.48 0.14 -0.10 0.00 0.06 0.00 0.00 31.60 33.18 3d0h h MET 408 CO -0.63 -0.41 0.77 0.45 1.06 0.00 0.00 176.91 178.14 3d0h n SER 409 N -4.15 0.13 -0.03 1.22 2.88 -0.45 -1.57 113.62 111.66 3d0h n SER 409 Ca -0.08 1.03 -0.09 0.00 -1.33 0.00 0.00 58.87 58.40 3d0h n SER 409 Cb 0.25 -0.51 -0.07 0.00 -0.75 0.00 0.00 64.21 63.13 3d0h n SER 409 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3d0h h LEU 410 N 0.00 -0.06 -1.80 2.46 5.85 -0.59 -3.12 115.31 118.05 3d0h h LEU 410 Ca 0.70 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3d0h h LEU 410 Cb 2.35 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 43.39 3d0h h LEU 410 CO -0.30 0.65 -0.15 0.28 -0.34 0.00 0.00 178.44 178.58 3d0h h SER 411 N -0.96 0.00 0.98 1.25 0.02 -0.75 -2.59 113.55 111.51 3d0h h SER 411 Ca -0.01 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 3d0h h SER 411 Cb 0.55 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3d0h h SER 411 CO 0.01 0.15 -0.73 0.00 -1.14 0.00 0.00 176.83 175.13 3d0h h ALA 412 N 1.85 0.65 -0.00 3.77 0.00 -1.53 -3.32 119.26 120.68 3d0h h ALA 412 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3d0h h ALA 412 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3d0h h ALA 412 CO 0.02 0.91 -0.04 0.00 0.00 0.00 0.00 179.25 180.14 3d0h n ALA 413 N -2.34 2.48 -1.77 0.00 0.00 -0.98 -4.22 120.51 113.69 3d0h n ALA 413 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 3d0h n ALA 413 Cb 0.76 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.87 2.76 0.42 0.00 -4.23 -1.23 -4.90 115.64 105.57 3d0h s THR 414 Ca 0.18 0.76 0.10 0.00 -1.18 0.00 0.00 61.69 61.54 3d0h s THR 414 Cb 0.19 -3.48 0.29 0.00 1.34 0.00 0.00 72.50 70.85 3d0h s THR 414 CO 0.52 0.18 2.02 -0.65 -0.54 0.00 0.00 174.62 176.15 3d0h h PRO 415 N 3.35 0.49 -0.07 3.99 0.11 -1.91 -1.43 132.00 136.52 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 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3d0h h PRO 415 CO 0.65 0.32 -0.07 -0.22 -0.21 0.00 0.00 178.00 178.48 3d0h h LYS 416 N 0.50 -0.09 -0.52 1.05 3.64 -1.90 0.27 116.57 119.52 3d0h h LYS 416 Ca 0.21 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3d0h h LYS 416 Cb 0.19 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3d0h h LYS 416 CO -0.05 -0.06 -0.01 1.25 -2.27 0.00 0.00 179.45 178.31 3d0h h HIS 417 N -0.09 1.01 -0.92 1.91 2.76 -1.61 0.14 115.15 118.36 3d0h h HIS 417 Ca 0.05 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 58.07 3d0h h HIS 417 Cb 0.17 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 3d0h h HIS 417 CO -0.17 0.93 0.61 -0.07 -1.30 0.00 0.00 177.93 177.93 3d0h h LEU 418 N 0.80 1.04 0.09 0.26 -0.00 -0.95 0.13 115.31 116.67 3d0h h LEU 418 Ca 0.15 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.00 3d0h h LEU 418 Cb 0.54 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 3d0h h LEU 418 CO 0.03 0.73 -0.04 0.11 -0.00 0.00 0.00 178.44 179.27 3d0h h LYS 419 N 1.21 -0.12 -0.81 1.13 1.57 -0.03 -0.32 116.57 119.20 3d0h h LYS 419 Ca 0.35 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.33 3d0h h LYS 419 Cb -0.08 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.12 3d0h h LYS 419 CO -0.09 0.18 0.04 1.03 -0.57 0.00 0.00 179.45 180.04 3d0h h SER 420 N -0.43 -0.32 0.28 0.86 0.87 -0.23 -0.85 113.55 113.74 3d0h h SER 420 Ca -0.01 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3d0h h SER 420 Cb 0.36 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3d0h h SER 420 CO 0.02 -0.20 -0.14 0.40 -0.53 0.00 0.00 176.83 176.38 3d0h h ILE 421 N 0.11 0.75 0.00 2.23 2.04 -0.66 -3.48 117.51 118.50 3d0h h ILE 421 Ca 0.46 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3d0h h ILE 421 Cb 0.85 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3d0h h ILE 421 CO -0.71 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.12 3d0h n GLY 422 N -0.79 1.53 0.11 5.37 0.00 -0.21 -5.00 105.19 106.20 3d0h n GLY 422 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 1.10 -4.69 0.99 4.77 -0.74 -4.88 117.00 113.55 3d0h n LEU 423 Ca 0.00 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.60 3d0h n LEU 423 Cb 0.00 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3d0h n LEU 423 CO 0.00 0.64 0.21 -0.22 -1.33 0.00 0.00 177.39 176.69 3d0h s LEU 424 N -5.93 4.22 -0.18 2.23 2.96 -1.06 -4.88 118.68 116.03 3d0h s LEU 424 Ca -0.18 0.76 -0.38 0.00 -0.22 0.00 0.00 54.13 54.12 3d0h s LEU 424 Cb 0.07 -2.71 -0.14 0.00 0.50 0.00 0.00 46.19 43.91 3d0h s LEU 424 CO 0.76 -0.09 1.78 -0.24 -1.32 0.00 0.00 176.35 177.24 3d0h n SER 425 N 4.20 2.78 -1.60 3.68 2.88 -1.26 -4.41 113.62 119.89 3d0h n SER 425 Ca -0.06 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 3d0h n SER 425 Cb 0.51 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 3d0h n SER 425 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d0h n PRO 426 N 5.71 0.24 0.00 -1.46 -0.04 -1.26 -1.98 135.00 136.20 3d0h n PRO 426 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 3d0h n PRO 426 Cb 0.20 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3d0h n PRO 426 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d0h n ASP 427 N 1.56 0.49 -4.68 3.54 8.00 -1.26 -5.08 116.55 119.11 3d0h n ASP 427 Ca 0.00 -0.16 -0.45 0.00 0.71 0.00 0.00 54.79 54.89 3d0h n ASP 427 Cb 0.12 0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 3d0h n ASP 427 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3d0h n PHE 428 N -0.47 2.42 -3.33 1.24 -0.00 -0.84 -4.96 117.46 111.52 3d0h n PHE 428 Ca 0.00 0.14 -0.42 0.00 -0.00 0.00 0.00 57.45 57.18 3d0h n PHE 428 Cb 0.00 -2.61 -0.09 0.00 -0.00 0.00 0.00 39.48 36.79 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 1.53 3.45 -1.21 -4.13 0.00 -1.26 -4.99 119.66 113.05 3d0h s GLN 429 Ca 0.80 -0.43 -0.19 0.00 -0.00 0.00 0.00 55.36 55.54 3d0h s GLN 429 Cb -0.62 -3.85 0.07 0.00 0.00 0.00 0.00 33.01 28.60 3d0h s GLN 429 CO 0.38 -0.66 1.65 -1.21 0.00 0.00 0.00 175.29 175.45 3d0h s GLU 430 N 2.18 3.87 0.55 9.60 2.02 -1.26 -4.96 118.70 130.70 3d0h s GLU 430 Ca 0.14 -1.75 -0.15 0.00 0.02 0.00 0.00 54.97 53.22 3d0h s GLU 430 Cb -0.16 -5.47 -0.07 0.00 0.10 0.00 0.00 34.13 28.53 3d0h s GLU 430 CO 0.13 -2.23 1.00 0.16 0.02 0.00 0.00 175.26 174.34 3d0h s ASP 431 N 4.42 6.45 0.57 -0.19 -4.77 -1.26 -4.93 116.67 116.96 3d0h s ASP 431 Ca 0.51 1.56 0.37 0.00 -3.30 0.00 0.00 52.55 51.69 3d0h s ASP 431 Cb 0.03 -2.50 1.42 0.00 -1.09 0.00 0.00 42.92 40.78 3d0h s ASP 431 CO 0.03 -0.71 1.62 -0.55 0.70 0.00 0.00 175.17 176.26 3d0h h ASN 432 N 0.60 0.00 0.26 2.11 -1.07 -2.01 -1.59 115.58 113.89 3d0h h ASN 432 Ca -0.46 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 55.57 3d0h h ASN 432 Cb 1.19 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.41 3d0h h ASN 432 CO 0.61 0.00 -1.87 -0.33 0.07 0.00 0.00 177.43 175.91 3d0h h GLU 433 N 0.00 0.19 -0.27 4.14 5.08 -1.99 -3.32 114.58 118.41 3d0h h GLU 433 Ca 0.59 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3d0h h GLU 433 Cb 2.68 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 32.03 3d0h h GLU 433 CO -0.01 0.99 0.14 1.15 -1.00 0.00 0.00 179.01 180.28 3d0h h THR 434 N 0.05 1.09 0.00 1.13 2.02 -1.67 -0.11 112.91 115.42 3d0h h THR 434 Ca -0.37 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3d0h h THR 434 Cb 2.03 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3d0h h THR 434 CO 0.09 0.10 0.00 -0.62 0.37 0.00 0.00 175.52 175.46 3d0h n GLU 435 N -4.46 0.14 -0.12 6.66 -0.58 -1.13 -2.27 120.64 118.88 3d0h n GLU 435 Ca 0.01 0.57 -0.22 0.00 -0.42 0.00 0.00 57.16 57.10 3d0h n GLU 435 Cb 0.10 -1.90 -0.08 0.00 -0.57 0.00 0.00 31.44 28.99 3d0h n GLU 435 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3d0h n ILE 436 N -2.19 1.52 -0.26 -3.67 2.08 -0.09 -2.81 119.36 113.93 3d0h n ILE 436 Ca -0.00 -0.18 0.19 0.00 0.56 0.00 0.00 62.75 63.32 3d0h n ILE 436 Cb 0.08 -2.05 0.49 0.00 -0.75 0.00 0.00 39.64 37.40 3d0h n ILE 436 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 3d0h h ASN 437 N -1.00 0.45 0.48 4.38 2.35 -1.51 0.28 115.58 121.01 3d0h h ASN 437 Ca -0.44 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.34 3d0h h ASN 437 Cb 1.36 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.70 3d0h h ASN 437 CO -0.27 0.17 -0.23 0.15 -1.65 0.00 0.00 177.43 175.61 3d0h h PHE 438 N 0.45 -0.59 -0.84 1.19 3.57 -1.63 -1.95 116.94 117.14 3d0h h PHE 438 Ca 0.49 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 62.22 3d0h h PHE 438 Cb 1.16 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 3d0h h PHE 438 CO -0.00 -0.37 0.60 -0.07 -2.23 0.00 0.00 178.31 176.24 3d0h h LEU 439 N -0.90 0.03 0.05 0.59 4.07 -1.26 0.54 115.31 118.42 3d0h h LEU 439 Ca -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 3d0h h LEU 439 Cb 0.49 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3d0h h LEU 439 CO 0.11 0.01 -0.02 0.25 -1.08 0.00 0.00 178.44 177.70 3d0h h LEU 440 N 0.03 -0.06 -1.85 1.67 7.12 -0.49 0.13 115.31 121.87 3d0h h LEU 440 Ca 0.40 -0.57 0.08 0.00 0.13 0.00 0.00 57.88 57.92 3d0h h LEU 440 Cb 1.56 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.69 3d0h h LEU 440 CO -0.02 0.67 0.47 0.50 -0.13 0.00 0.00 178.44 179.93 3d0h h LYS 441 N -0.91 0.00 0.06 1.25 3.64 -0.79 0.58 116.57 120.40 3d0h h LYS 441 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3d0h h LYS 441 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3d0h h LYS 441 CO 0.01 0.00 -0.03 1.96 -2.27 0.00 0.00 179.45 179.12 3d0h h GLN 442 N 0.00 -0.08 -0.83 1.90 1.08 -0.71 -3.34 115.11 113.13 3d0h h GLN 442 Ca 0.13 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.42 3d0h h GLN 442 Cb 1.07 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.46 3d0h h GLN 442 CO -0.00 0.11 0.54 0.00 -0.95 0.00 0.00 178.83 178.53 3d0h h ALA 443 N -0.83 1.66 -0.87 3.87 0.00 0.61 0.20 119.26 123.91 3d0h h ALA 443 Ca -0.01 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.10 3d0h h ALA 443 Cb 0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3d0h h ALA 443 CO 0.01 0.18 0.59 -0.07 0.00 0.00 0.00 179.25 179.97 3d0h h LEU 444 N 0.84 0.28 0.00 0.00 4.07 -1.11 0.55 115.31 119.95 3d0h h LEU 444 Ca 0.37 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.36 3d0h h LEU 444 Cb 0.35 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3d0h h LEU 444 CO -0.14 0.11 -0.22 0.41 -1.08 0.00 0.00 178.44 177.52 3d0h n THR 445 N -4.44 0.36 -0.07 0.22 -1.04 0.13 -1.38 114.28 108.05 3d0h n THR 445 Ca 0.18 0.42 -0.08 0.00 -2.04 0.00 0.00 64.05 62.53 3d0h n THR 445 Cb 0.75 -1.71 -0.01 0.00 -1.82 0.00 0.00 70.33 67.54 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 -0.24 0.36 0.03 12.58 1.08 -0.76 -2.94 117.51 127.62 3d0h h ILE 446 Ca 0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.21 3d0h h ILE 446 Cb 0.22 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 3d0h h ILE 446 CO 0.00 0.00 -1.35 0.58 -0.69 0.00 0.00 178.15 176.69 3d0h h VAL 447 N -0.23 1.31 -0.85 1.67 2.07 -0.63 -3.34 116.25 116.26 3d0h h VAL 447 Ca 0.15 -3.05 0.10 0.00 0.82 0.00 0.00 66.70 64.73 3d0h h VAL 447 Cb 0.47 2.70 -0.06 0.00 -1.52 0.00 0.00 31.29 32.88 3d0h h VAL 447 CO -0.43 0.79 0.55 1.23 0.02 0.00 0.00 177.57 179.73 3d0h h GLY 448 N 2.78 1.17 1.46 2.17 0.00 -0.02 -2.76 103.07 107.87 3d0h h GLY 448 Ca -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3d0h h GLY 448 CO 0.12 0.19 -0.32 -0.37 0.00 0.00 0.00 176.54 176.16 3d0h n THR 449 N -4.52 0.17 0.38 4.70 5.66 -1.12 -4.26 114.28 115.29 3d0h n THR 449 Ca 0.14 -0.11 -0.16 0.00 -3.05 0.00 0.00 64.05 60.88 3d0h n THR 449 Cb 0.32 -0.17 -0.07 0.00 -1.55 0.00 0.00 70.33 68.85 3d0h n THR 449 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3d0h h LEU 450 N 0.00 -0.83 -0.36 1.09 3.38 -1.63 0.12 115.31 117.07 3d0h h LEU 450 Ca 0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3d0h h LEU 450 Cb 0.59 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3d0h h LEU 450 CO 0.00 -0.46 0.21 -0.65 0.09 0.00 0.00 178.44 177.63 3d0h h PRO 451 N -1.24 0.42 -0.49 1.13 0.11 -1.76 0.48 132.00 130.66 3d0h h PRO 451 Ca -0.10 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.08 3d0h h PRO 451 Cb 0.76 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 31.68 3d0h h PRO 451 CO 0.17 0.28 -0.18 0.35 -0.21 0.00 0.00 178.00 178.40 3d0h h PHE 452 N 0.43 -0.43 -0.60 0.65 3.04 -1.73 0.52 116.94 118.82 3d0h h PHE 452 Ca 0.15 0.05 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 3d0h h PHE 452 Cb 0.01 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 3d0h h PHE 452 CO -0.08 -0.27 0.09 1.15 -2.02 0.00 0.00 178.31 177.19 3d0h h THR 453 N -0.07 1.26 0.62 4.41 2.02 0.17 -1.93 112.91 119.39 3d0h h THR 453 Ca 0.23 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 3d0h h THR 453 Cb 0.43 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3d0h h THR 453 CO -0.54 0.37 -0.30 0.22 0.37 0.00 0.00 175.52 175.65 3d0h h TYR 454 N 0.90 -0.77 -0.44 3.16 -0.00 -0.24 -2.77 116.97 116.81 3d0h h TYR 454 Ca 0.18 -0.02 0.06 0.00 -0.00 0.00 0.00 58.73 58.96 3d0h h TYR 454 Cb 0.44 0.26 -0.09 0.00 -0.00 0.00 0.00 36.73 37.33 3d0h h TYR 454 CO 0.03 -0.43 -0.49 1.98 -0.00 0.00 0.00 178.16 179.25 3d0h h MET 455 N -1.08 -0.33 -0.61 1.82 4.05 -0.91 0.30 114.93 118.18 3d0h h MET 455 Ca -0.09 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.46 3d0h h MET 455 Cb 0.69 0.07 -0.11 0.00 -0.80 0.00 0.00 31.60 31.45 3d0h h MET 455 CO 0.14 -0.22 -0.36 1.25 0.23 0.00 0.00 176.91 177.95 3d0h h LEU 456 N -0.34 -1.24 -1.11 3.39 5.85 -1.34 0.63 115.31 121.15 3d0h h LEU 456 Ca 0.12 0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3d0h h LEU 456 Cb 0.59 0.61 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3d0h h LEU 456 CO -0.61 -0.31 0.00 -0.33 -0.34 0.00 0.00 178.44 176.85 3d0h h GLU 457 N -0.17 0.00 -0.34 1.25 4.39 -1.08 -2.11 114.58 116.52 3d0h h GLU 457 Ca 0.23 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 3d0h h GLU 457 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3d0h h GLU 457 CO -0.70 0.00 -0.17 -0.22 -1.16 0.00 0.00 179.01 176.76 3d0h h LYS 458 N 0.00 0.72 0.52 2.33 1.63 0.40 -0.68 116.57 121.50 3d0h h LYS 458 Ca 0.00 -0.32 -0.03 0.00 -0.85 0.00 0.00 60.65 59.46 3d0h h LYS 458 Cb 0.43 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3d0h h LYS 458 CO 0.00 0.92 -0.25 2.35 -3.45 0.00 0.00 179.45 179.02 3d0h h TRP 459 N 0.50 -0.65 0.12 1.91 7.01 -0.68 -2.20 115.95 121.97 3d0h h TRP 459 Ca 0.08 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.07 3d0h h TRP 459 Cb 0.71 0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 27.94 3d0h h TRP 459 CO 0.06 -0.34 -0.51 0.00 -2.79 0.00 0.00 178.44 174.86 3d0h h ARG 460 N -0.89 -0.71 -0.87 2.65 3.08 -1.45 0.89 114.38 117.08 3d0h h ARG 460 Ca -0.07 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.24 3d0h h ARG 460 Cb 0.61 0.16 -0.16 0.00 0.08 0.00 0.00 29.97 30.66 3d0h h ARG 460 CO 0.12 -0.47 -0.01 -1.49 -1.07 0.00 0.00 179.97 177.04 3d0h h TRP 461 N -0.74 -0.10 -0.07 3.04 4.06 -1.18 0.13 115.95 121.09 3d0h h TRP 461 Ca -0.01 0.07 -0.05 0.00 2.06 0.00 0.00 58.89 60.96 3d0h h TRP 461 Cb 0.74 0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 3d0h h TRP 461 CO -0.45 -0.33 -0.15 0.52 -3.56 0.00 0.00 178.44 174.47 3d0h h MET 462 N 0.06 0.22 -0.24 0.49 2.86 -0.67 -3.07 114.93 114.58 3d0h h MET 462 Ca 0.49 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 58.05 3d0h h MET 462 Cb 0.91 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 3d0h h MET 462 CO -0.80 0.74 0.34 0.28 1.06 0.00 0.00 176.91 178.54 3d0h h VAL 463 N -0.28 0.29 -0.23 -2.22 2.07 0.27 0.42 116.25 116.58 3d0h h VAL 463 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3d0h h VAL 463 Cb 0.74 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3d0h h VAL 463 CO 0.03 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.11 3d0h n PHE 464 N -3.51 0.30 -1.72 1.57 3.72 0.25 -3.70 117.46 114.37 3d0h n PHE 464 Ca 0.03 -0.15 0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3d0h n PHE 464 Cb 0.47 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.19 3d0h n PHE 464 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3d0h n LYS 465 N 0.50 1.32 0.00 -1.08 5.02 0.15 -4.44 118.16 119.62 3d0h n LYS 465 Ca 0.16 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 3d0h n LYS 465 Cb 0.36 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 -0.87 0.00 0.37 0.72 0.00 -1.19 -4.73 105.19 99.49 3d0h n GLY 466 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 3d0h n GLY 466 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d0h h GLU 467 N 0.00 0.00 -3.36 1.61 5.08 -1.84 -3.05 114.58 113.02 3d0h h GLU 467 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3d0h h GLU 467 Cb 0.00 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.86 3d0h h GLU 467 CO 0.00 0.00 -0.51 0.42 -1.00 0.00 0.00 179.01 177.92 3d0h s ILE 468 N -4.41 3.07 0.53 3.13 -1.09 -1.26 -4.98 121.20 116.20 3d0h s ILE 468 Ca -0.04 -3.48 -0.19 0.00 -2.23 0.00 0.00 60.65 54.72 3d0h s ILE 468 Cb 0.13 -3.05 -0.10 0.00 -1.58 0.00 0.00 42.46 37.86 3d0h s ILE 468 CO 0.43 -0.88 0.45 -2.65 -1.23 0.00 0.00 174.94 171.06 3d0h n PRO 469 N 2.90 0.46 -0.32 2.79 -0.02 -1.15 -4.72 135.00 134.95 3d0h n PRO 469 Ca 0.10 0.18 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3d0h n PRO 469 Cb 0.34 -1.57 0.32 0.00 -0.02 0.00 0.00 33.50 32.58 3d0h n PRO 469 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3d0h h LYS 470 N 0.33 0.78 -0.88 -0.52 1.57 -1.99 0.35 116.57 116.21 3d0h h LYS 470 Ca -0.44 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d0h h LYS 470 Cb 1.41 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3d0h h LYS 470 CO 0.47 0.52 0.00 -0.40 -0.57 0.00 0.00 179.45 179.47 3d0h n ASP 471 N -4.61 1.50 -0.25 0.86 5.68 -1.26 -3.16 116.55 115.30 3d0h n ASP 471 Ca 0.19 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3d0h n ASP 471 Cb 0.45 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3d0h n ASP 471 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d0h n GLN 472 N 0.05 0.00 0.22 0.11 6.02 0.08 -4.92 117.38 118.94 3d0h n GLN 472 Ca 0.03 -0.50 -0.15 0.00 -0.01 0.00 0.00 57.00 56.37 3d0h n GLN 472 Cb 0.34 -0.33 -0.07 0.00 1.02 0.00 0.00 30.24 31.20 3d0h n GLN 472 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3d0h h TRP 473 N 0.00 -0.79 0.19 1.08 4.06 -1.44 -1.29 115.95 117.76 3d0h h TRP 473 Ca 0.00 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.66 3d0h h TRP 473 Cb 1.13 0.30 0.02 0.00 -1.00 0.00 0.00 29.16 29.62 3d0h h TRP 473 CO -0.02 -0.44 -1.34 0.52 -3.56 0.00 0.00 178.44 173.61 3d0h h MET 474 N -0.66 0.41 0.00 0.49 2.86 -1.87 -1.78 114.93 114.39 3d0h h MET 474 Ca -0.02 -0.70 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 3d0h h MET 474 Cb 0.58 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.51 3d0h h MET 474 CO -0.03 1.34 0.17 1.63 1.06 0.00 0.00 176.91 181.08 3d0h n LYS 475 N -3.84 0.04 -0.05 1.72 5.02 -1.23 -2.22 118.16 117.60 3d0h n LYS 475 Ca -0.19 0.45 -0.06 0.00 -2.02 0.00 0.00 58.31 56.49 3d0h n LYS 475 Cb 1.00 -1.81 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 3d0h n LYS 475 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3d0h n LYS 476 N -1.66 1.56 -0.20 1.97 0.00 -0.49 -3.62 118.16 115.72 3d0h n LYS 476 Ca -0.00 0.03 -0.12 0.00 0.00 0.00 0.00 58.31 58.21 3d0h n LYS 476 Cb 0.18 -1.25 -0.09 0.00 0.00 0.00 0.00 35.03 33.86 3d0h n LYS 476 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 3d0h h TRP 477 N 0.00 -1.65 0.00 5.64 -0.00 -0.84 -2.07 115.95 117.02 3d0h h TRP 477 Ca -0.27 0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.71 3d0h h TRP 477 Cb 1.54 0.79 0.00 0.00 -0.00 0.00 0.00 29.16 31.49 3d0h h TRP 477 CO 0.01 -0.43 0.00 0.91 -0.00 0.00 0.00 178.44 178.93 3d0h n TRP 478 N -5.18 0.77 0.28 2.65 7.02 -1.13 -0.38 117.44 121.47 3d0h n TRP 478 Ca -0.02 0.24 0.13 0.00 -1.02 0.00 0.00 57.50 56.83 3d0h n TRP 478 Cb 0.30 -0.89 0.80 0.00 -2.42 0.00 0.00 31.31 29.10 3d0h n TRP 478 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3d0h h GLU 479 N 0.00 0.00 0.00 -0.99 4.81 -1.44 -2.39 114.58 114.57 3d0h h GLU 479 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 3d0h h GLU 479 Cb 0.62 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 3d0h h GLU 479 CO 0.00 0.06 -1.85 -1.33 -0.73 0.00 0.00 179.01 175.16 3d0h n MET 480 N -3.83 1.37 0.26 1.92 0.00 -0.59 -2.91 117.12 113.35 3d0h n MET 480 Ca -0.02 -0.05 0.12 0.00 0.00 0.00 0.00 57.70 57.75 3d0h n MET 480 Cb 0.15 -1.35 0.75 0.00 0.00 0.00 0.00 33.22 32.78 3d0h n MET 480 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3d0h h LYS 481 N 0.00 0.00 0.02 0.03 1.79 -0.57 0.33 116.57 118.17 3d0h h LYS 481 Ca -0.26 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 57.87 3d0h h LYS 481 Cb 1.49 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.09 3d0h h LYS 481 CO 0.01 0.00 -1.92 0.54 -1.08 0.00 0.00 179.45 177.00 3d0h n ARG 482 N -4.24 0.61 -0.21 3.15 1.74 -0.91 0.11 116.66 116.91 3d0h n ARG 482 Ca -0.02 0.38 -0.08 0.00 -0.77 0.00 0.00 57.85 57.36 3d0h n ARG 482 Cb 0.12 -1.63 0.02 0.00 -1.02 0.00 0.00 32.46 29.95 3d0h n ARG 482 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3d0h h GLU 483 N -0.74 0.90 0.00 5.56 4.81 -1.43 -3.10 114.58 120.57 3d0h h GLU 483 Ca -0.50 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 58.42 3d0h h GLU 483 Cb 1.58 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 3d0h h GLU 483 CO -0.23 0.80 -1.24 -0.89 -0.73 0.00 0.00 179.01 176.73 3d0h n ILE 484 N -4.43 1.49 0.14 2.32 2.08 0.12 -4.72 119.36 116.35 3d0h n ILE 484 Ca 0.03 0.03 0.04 0.00 0.56 0.00 0.00 62.75 63.41 3d0h n ILE 484 Cb 0.20 -2.23 0.03 0.00 -0.75 0.00 0.00 39.64 36.89 3d0h n ILE 484 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3d0h h VAL 485 N -1.00 0.65 -2.75 1.39 2.07 -1.53 -3.48 116.25 111.60 3d0h h VAL 485 Ca -0.18 -1.96 -0.14 0.00 0.82 0.00 0.00 66.70 65.25 3d0h h VAL 485 Cb 1.05 2.28 0.05 0.00 -1.52 0.00 0.00 31.29 33.14 3d0h h VAL 485 CO -0.11 0.37 -0.24 0.61 0.02 0.00 0.00 177.57 178.22 3d0h n GLY 486 N 1.22 0.41 3.08 2.17 0.00 -0.91 -4.96 105.19 106.20 3d0h n GLY 486 Ca 0.01 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.11 0.81 0.26 1.61 1.01 0.12 -1.77 120.40 119.33 3d0h s VAL 487 Ca 0.18 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.41 3d0h s VAL 487 Cb -0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3d0h s VAL 487 CO 0.25 -0.06 -0.16 0.68 0.00 0.00 0.00 175.10 175.81 3d0h s VAL 488 N -0.82 2.12 -0.12 2.92 -7.23 -0.40 -3.00 120.40 113.87 3d0h s VAL 488 Ca -0.01 -2.29 -0.26 0.00 -1.81 0.00 0.00 61.98 57.60 3d0h s VAL 488 Cb -0.07 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 3d0h s VAL 488 CO 0.01 -0.44 0.84 -1.83 -0.31 0.00 0.00 175.10 173.37 3d0h s GLU 489 N -3.59 4.38 0.45 4.82 1.03 -1.26 -0.30 118.70 124.24 3d0h s GLU 489 Ca 0.28 1.08 0.19 0.00 0.03 0.00 0.00 54.97 56.54 3d0h s GLU 489 Cb -0.02 -3.53 1.08 0.00 -0.80 0.00 0.00 34.13 30.87 3d0h s GLU 489 CO 0.12 -0.20 1.97 -1.00 -1.33 0.00 0.00 175.26 174.82 3d0h h PRO 490 N 7.10 0.00 -4.75 -4.83 0.13 -1.95 -3.42 132.00 124.28 3d0h h PRO 490 Ca -0.34 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.38 3d0h h PRO 490 Cb 1.16 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.00 3d0h h PRO 490 CO 0.81 0.21 -0.78 0.08 -0.23 0.00 0.00 178.00 178.09 3d0h s VAL 491 N -4.31 0.76 0.49 1.56 1.01 -1.26 -4.43 120.40 114.22 3d0h s VAL 491 Ca -0.03 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 3d0h s VAL 491 Cb 0.14 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 3d0h s VAL 491 CO 0.66 0.22 1.09 -2.16 0.00 0.00 0.00 175.10 174.91 3d0h s PRO 492 N -0.14 3.68 -0.07 2.72 0.04 -1.26 -5.06 135.00 134.91 3d0h s PRO 492 Ca 0.02 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.61 3d0h s PRO 492 Cb -0.05 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3d0h s PRO 492 CO -0.00 -0.56 -0.10 -1.01 0.04 0.00 0.00 177.00 175.36 3d0h s HIS 493 N -1.80 1.30 0.53 0.56 3.76 -1.26 -5.12 115.29 113.26 3d0h s HIS 493 Ca 0.68 -0.48 0.08 0.00 -0.15 0.00 0.00 55.06 55.18 3d0h s HIS 493 Cb -0.22 -0.99 0.05 0.00 1.11 0.00 0.00 32.58 32.53 3d0h s HIS 493 CO 0.25 -0.28 0.61 0.16 -0.85 0.00 0.00 174.74 174.63 3d0h s ASP 494 N 0.82 5.00 0.00 1.40 3.84 -1.26 -4.37 116.67 122.09 3d0h s ASP 494 Ca -0.12 -0.93 0.04 0.00 -0.00 0.00 0.00 52.55 51.54 3d0h s ASP 494 Cb -0.15 0.16 0.22 0.00 -1.38 0.00 0.00 42.92 41.77 3d0h s ASP 494 CO 0.02 -1.14 0.57 -0.62 -0.00 0.00 0.00 175.17 173.99 3d0h n GLU 495 N -1.99 0.22 0.22 2.11 -0.58 -1.26 -0.77 120.64 118.59 3d0h n GLU 495 Ca 0.08 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.92 3d0h n GLU 495 Cb 0.62 -1.26 0.42 0.00 -0.57 0.00 0.00 31.44 30.65 3d0h n GLU 495 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3d0h h THR 496 N 0.00 0.51 -2.83 2.62 1.03 -1.97 -3.46 112.91 108.81 3d0h h THR 496 Ca 0.00 -1.16 -0.47 0.00 -0.01 0.00 0.00 66.41 64.77 3d0h h THR 496 Cb 0.00 1.82 0.02 0.00 -1.07 0.00 0.00 68.15 68.91 3d0h h THR 496 CO 0.00 0.22 -0.14 -0.31 -0.01 0.00 0.00 175.52 175.28 3d0h s TYR 497 N -3.57 3.41 -0.42 0.00 2.02 0.05 -4.37 117.35 114.46 3d0h s TYR 497 Ca 0.01 0.34 0.08 0.00 -0.37 0.00 0.00 57.07 57.13 3d0h s TYR 497 Cb 0.10 -2.06 0.30 0.00 -0.40 0.00 0.00 41.96 39.90 3d0h s TYR 497 CO 0.64 -0.06 0.85 0.00 -1.57 0.00 0.00 175.55 175.41 3d0h h ASP 499 N 3.36 -0.55 -1.03 0.00 3.45 -1.89 -1.14 116.42 118.62 3d0h h ASP 499 Ca -0.02 0.17 0.26 0.00 0.43 0.00 0.00 57.03 57.88 3d0h h ASP 499 Cb 1.01 0.36 -0.08 0.00 -0.56 0.00 0.00 39.33 40.05 3d0h h ASP 499 CO 0.34 -0.19 0.67 1.55 -1.57 0.00 0.00 179.24 180.04 3d0h h PRO 500 N -0.01 0.35 0.00 3.56 0.13 -1.97 0.47 132.00 134.53 3d0h h PRO 500 Ca 0.27 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 3d0h h PRO 500 Cb 0.42 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.47 3d0h h PRO 500 CO -0.58 0.23 0.00 0.00 -0.23 0.00 0.00 178.00 177.42 3d0h n ALA 501 N -2.51 2.13 0.97 -0.56 0.00 -0.44 -2.34 120.51 117.76 3d0h n ALA 501 Ca 0.24 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.72 3d0h n ALA 501 Cb 0.88 -1.38 0.60 0.00 0.00 0.00 0.00 19.45 19.55 3d0h n ALA 501 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d0h n SER 502 N -1.40 0.00 -4.64 0.00 3.41 0.17 -3.94 113.62 107.21 3d0h n SER 502 Ca 0.08 0.48 -0.39 0.00 -0.26 0.00 0.00 58.87 58.78 3d0h n SER 502 Cb 0.23 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.61 3d0h n SER 502 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3d0h s LEU 503 N -2.99 4.11 0.00 1.04 1.98 -0.99 -5.01 118.68 116.82 3d0h s LEU 503 Ca 0.14 0.47 0.00 0.00 -2.89 0.00 0.00 54.13 51.85 3d0h s LEU 503 Cb 0.18 -2.53 0.00 0.00 0.66 0.00 0.00 46.19 44.51 3d0h s LEU 503 CO 0.50 -0.14 0.11 0.33 -1.89 0.00 0.00 176.35 175.26 3d0h n PHE 504 N 4.88 0.00 -0.40 5.38 7.35 -1.26 -0.57 117.46 132.84 3d0h n PHE 504 Ca -0.07 0.00 0.33 0.00 -0.76 0.00 0.00 57.45 56.95 3d0h n PHE 504 Cb 0.51 0.00 0.54 0.00 0.35 0.00 0.00 39.48 40.88 3d0h n PHE 504 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3d0h n HIS 505 N -0.41 0.44 0.29 -5.13 8.25 -1.26 -0.66 115.22 116.73 3d0h n HIS 505 Ca 0.00 0.44 -0.12 0.00 -0.26 0.00 0.00 57.72 57.78 3d0h n HIS 505 Cb 0.00 -0.84 -0.06 0.00 1.12 0.00 0.00 29.99 30.21 3d0h n HIS 505 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3d0h h VAL 506 N 0.00 0.00 -1.15 1.59 2.07 -1.09 0.61 116.25 118.28 3d0h h VAL 506 Ca 0.69 -0.37 -0.61 0.00 0.82 0.00 0.00 66.70 67.23 3d0h h VAL 506 Cb 2.33 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.94 3d0h h VAL 506 CO -0.29 0.00 1.26 -1.54 0.02 0.00 0.00 177.57 177.02 3d0h n SER 507 N -5.12 7.17 -0.11 0.57 3.41 0.17 -3.02 113.62 116.70 3d0h n SER 507 Ca -0.10 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.31 3d0h n SER 507 Cb 0.31 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 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 1.18 0.00 -3.60 4.04 3.02 -1.04 -4.08 115.26 114.78 3d0h n ASN 508 Ca 0.55 -0.64 -0.21 0.00 -0.03 0.00 0.00 54.58 54.24 3d0h n ASN 508 Cb 0.41 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.00 -2.65 -4.34 6.41 2.03 -1.05 -4.94 116.55 112.01 3d0h n ASP 509 Ca 0.00 -0.81 -0.32 0.00 0.52 0.00 0.00 54.79 54.18 3d0h n ASP 509 Cb 0.32 -4.26 -0.15 0.00 -0.72 0.00 0.00 41.12 36.31 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 -3.56 2.59 0.40 -0.67 2.02 0.18 -5.06 117.35 113.24 3d0h s TYR 510 Ca 0.14 -0.58 -0.25 0.00 -0.37 0.00 0.00 57.07 56.00 3d0h s TYR 510 Cb -0.03 -1.66 -0.11 0.00 -0.40 0.00 0.00 41.96 39.76 3d0h s TYR 510 CO 0.80 -0.13 1.10 0.45 -1.57 0.00 0.00 175.55 176.21 3d0h n SER 511 N 2.94 1.74 -0.00 2.29 2.88 -1.26 -4.59 113.62 117.61 3d0h n SER 511 Ca -0.18 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3d0h n SER 511 Cb 0.52 -1.40 -0.00 0.00 -0.75 0.00 0.00 64.21 62.58 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 -0.28 0.00 0.25 0.66 -0.00 -1.26 -4.67 117.46 112.16 3d0h n PHE 512 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.65 3d0h n PHE 512 Cb 0.38 -0.01 0.61 0.00 -0.00 0.00 0.00 39.48 40.47 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 0.56 -0.81 -2.13 6.09 -1.91 -2.63 117.51 116.67 3d0h h ILE 513 Ca 0.00 -0.80 0.30 0.00 -1.37 0.00 0.00 64.86 62.99 3d0h h ILE 513 Cb 0.02 1.53 -0.15 0.00 0.47 0.00 0.00 36.82 38.69 3d0h h ILE 513 CO 0.00 0.17 0.29 -2.11 -3.07 0.00 0.00 178.15 173.42 3d0h n ARG 514 N -3.52 -0.05 0.22 2.19 1.85 -1.26 0.13 116.66 116.22 3d0h n ARG 514 Ca -0.01 1.15 0.11 0.00 -1.00 0.00 0.00 57.85 58.09 3d0h n ARG 514 Cb 0.32 -1.97 0.41 0.00 -1.05 0.00 0.00 32.46 30.17 3d0h n ARG 514 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 3d0h h TYR 515 N 0.00 0.00 0.05 2.89 0.05 -1.83 0.12 116.97 118.25 3d0h h TYR 515 Ca 0.62 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.39 3d0h h TYR 515 Cb 1.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.27 3d0h h TYR 515 CO -0.15 0.18 -0.02 -0.92 -1.05 0.00 0.00 178.16 176.20 3d0h h TYR 516 N 0.00 -0.06 -0.92 4.88 3.20 -0.50 -2.91 116.97 120.66 3d0h h TYR 516 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3d0h h TYR 516 Cb 0.81 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 3d0h h TYR 516 CO 0.00 0.20 0.60 1.79 -1.64 0.00 0.00 178.16 179.11 3d0h h THR 517 N -1.00 1.12 0.17 1.81 1.35 -1.49 0.27 112.91 115.14 3d0h h THR 517 Ca -0.01 -0.38 0.01 0.00 -0.55 0.00 0.00 66.41 65.49 3d0h h THR 517 Cb 0.29 -0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 66.59 3d0h h THR 517 CO 0.01 0.20 -0.33 -0.09 -0.25 0.00 0.00 175.52 175.06 3d0h h ARG 518 N 1.11 -0.57 -0.27 4.72 2.43 -1.10 0.26 114.38 120.97 3d0h h ARG 518 Ca 0.38 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.65 3d0h h ARG 518 Cb 0.10 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 3d0h h ARG 518 CO -0.13 -0.38 -0.13 1.15 -1.51 0.00 0.00 179.97 178.97 3d0h h THR 519 N -0.59 0.59 0.02 0.20 2.02 -1.04 -1.16 112.91 112.96 3d0h h THR 519 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3d0h h THR 519 Cb 0.59 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3d0h h THR 519 CO -0.16 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 175.93 3d0h h LEU 520 N -0.10 -0.13 -0.07 2.58 5.85 -0.85 -3.23 115.31 119.36 3d0h h LEU 520 Ca 0.14 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3d0h h LEU 520 Cb 0.31 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3d0h h LEU 520 CO -0.33 -0.08 -0.37 1.88 -0.34 0.00 0.00 178.44 179.21 3d0h h TYR 521 N -0.10 -1.03 -0.78 1.25 0.05 0.15 -2.05 116.97 114.46 3d0h h TYR 521 Ca 0.01 0.04 0.21 0.00 0.05 0.00 0.00 58.73 59.04 3d0h h TYR 521 Cb 0.11 0.46 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 3d0h h TYR 521 CO -0.11 -0.45 0.55 -0.56 -1.05 0.00 0.00 178.16 176.55 3d0h h GLN 522 N -0.48 0.08 0.00 4.88 3.07 -1.25 0.20 115.11 121.61 3d0h h GLN 522 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.81 3d0h h GLN 522 Cb 0.60 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.14 3d0h h GLN 522 CO -0.33 0.06 0.00 1.19 0.09 0.00 0.00 178.83 179.83 3d0h n PHE 523 N -4.35 0.71 -0.05 0.06 3.72 -0.77 -1.63 117.46 115.14 3d0h n PHE 523 Ca 0.16 0.21 -0.18 0.00 -0.05 0.00 0.00 57.45 57.59 3d0h n PHE 523 Cb 0.79 -0.84 -0.13 0.00 -0.94 0.00 0.00 39.48 38.36 3d0h n PHE 523 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3d0h h GLN 524 N 0.00 0.07 -0.24 -1.08 4.20 -0.63 -3.15 115.11 114.28 3d0h h GLN 524 Ca 0.00 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.62 3d0h h GLN 524 Cb 0.65 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.41 3d0h h GLN 524 CO 0.00 1.06 -0.54 0.74 -0.67 0.00 0.00 178.83 179.42 3d0h h PHE 525 N -0.82 -1.61 -0.49 2.96 -1.00 -1.24 0.29 116.94 115.04 3d0h h PHE 525 Ca -0.15 0.07 0.08 0.00 2.81 0.00 0.00 57.97 60.77 3d0h h PHE 525 Cb 1.27 0.73 -0.07 0.00 3.61 0.00 0.00 35.95 41.50 3d0h h PHE 525 CO 0.20 -0.52 0.12 0.37 -1.61 0.00 0.00 178.31 176.86 3d0h h GLN 526 N -0.51 0.25 0.60 1.51 5.75 -1.48 0.12 115.11 121.35 3d0h h GLN 526 Ca 0.05 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3d0h h GLN 526 Cb 0.65 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 3d0h h GLN 526 CO -0.49 0.17 -0.41 1.49 -2.65 0.00 0.00 178.83 176.93 3d0h h GLU 527 N 0.26 -0.93 -0.79 1.69 4.81 -1.30 0.22 114.58 118.53 3d0h h GLU 527 Ca 0.24 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.71 3d0h h GLU 527 Cb 0.31 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 3d0h h GLU 527 CO -0.30 -0.62 0.53 0.00 -0.73 0.00 0.00 179.01 177.89 3d0h h ALA 528 N -1.24 2.24 0.08 2.92 0.00 -0.17 0.16 119.26 123.26 3d0h h ALA 528 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 3d0h h ALA 528 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3d0h h ALA 528 CO 0.05 -0.46 -1.13 -0.07 0.00 0.00 0.00 179.25 177.64 3d0h h LEU 529 N 0.34 0.42 -0.29 0.00 4.07 -0.56 -2.15 115.31 117.15 3d0h h LEU 529 Ca 0.39 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3d0h h LEU 529 Cb 1.03 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.64 3d0h h LEU 529 CO -0.12 1.28 0.00 0.00 -1.08 0.00 0.00 178.44 178.52 3d0h h GLN 531 N 0.00 0.04 -0.04 0.00 4.15 -0.70 0.35 115.11 118.91 3d0h h GLN 531 Ca 0.00 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 3d0h h GLN 531 Cb 0.82 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 3d0h h GLN 531 CO 0.00 0.75 -0.62 0.00 -1.93 0.00 0.00 178.83 177.03 3d0h h ALA 532 N 0.29 0.90 0.00 3.38 0.00 -1.34 -2.30 119.26 120.19 3d0h h ALA 532 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3d0h h ALA 532 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3d0h h ALA 532 CO 0.01 0.75 0.00 0.00 0.00 0.00 0.00 179.25 180.01 3d0h n ALA 533 N -2.45 2.40 -3.36 0.00 0.00 1.00 -4.64 120.51 113.46 3d0h n ALA 533 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 3d0h n ALA 533 Cb 0.62 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.47 -2.03 -5.07 0.00 4.76 -0.87 -4.96 118.16 109.53 3d0h n LYS 534 Ca 0.00 1.57 -0.32 0.00 -2.87 0.00 0.00 58.31 56.69 3d0h n LYS 534 Cb 0.01 -2.94 -0.16 0.00 -1.84 0.00 0.00 35.03 30.10 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 -1.80 2.63 -0.05 2.13 5.65 0.10 -5.01 115.29 118.95 3d0h s HIS 535 Ca 0.34 -0.97 -0.01 0.00 0.25 0.00 0.00 55.06 54.67 3d0h s HIS 535 Cb -0.05 -1.75 -0.00 0.00 -1.18 0.00 0.00 32.58 29.60 3d0h s HIS 535 CO 0.85 -0.38 -0.02 1.49 -0.65 0.00 0.00 174.74 176.03 3d0h h GLU 536 N 6.75 0.00 0.00 2.88 4.57 -1.93 -3.46 114.58 123.39 3d0h h GLU 536 Ca -0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3d0h h GLU 536 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3d0h h GLU 536 CO 0.50 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.74 3d0h n GLY 537 N 1.84 -2.51 3.76 1.92 0.00 -1.26 -4.94 105.19 104.00 3d0h n GLY 537 Ca -0.01 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 3d0h n GLY 537 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3d0h s PRO 538 N -0.49 3.35 0.44 1.61 0.02 -1.26 -4.89 135.00 133.78 3d0h s PRO 538 Ca 0.00 2.35 0.21 0.00 0.02 0.00 0.00 61.00 63.58 3d0h s PRO 538 Cb 0.00 -2.43 1.17 0.00 0.02 0.00 0.00 34.50 33.26 3d0h s PRO 538 CO 0.00 -1.06 1.85 1.25 -0.33 0.00 0.00 177.00 178.70 3d0h h LEU 539 N 1.81 0.33 0.00 -5.54 5.85 -1.92 -0.86 115.31 114.98 3d0h h LEU 539 Ca -0.51 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3d0h h LEU 539 Cb 1.29 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3d0h h LEU 539 CO 0.59 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.81 3d0h n HIS 540 N -4.48 0.00 0.87 1.25 1.44 -1.26 -2.61 115.22 110.43 3d0h n HIS 540 Ca 0.20 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 56.00 3d0h n HIS 540 Cb 0.78 -0.49 0.27 0.00 0.12 0.00 0.00 29.99 30.67 3d0h n HIS 540 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3d0h n LYS 541 N -1.49 1.92 -2.71 -1.40 5.02 -0.33 -4.85 118.16 114.31 3d0h n LYS 541 Ca 0.06 -1.41 -0.40 0.00 -2.02 0.00 0.00 58.31 54.55 3d0h n LYS 541 Cb 0.28 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.16 3.07 0.00 0.00 2.15 -1.26 -4.37 116.67 115.10 3d0h s ASP 543 Ca 0.42 -0.98 0.12 0.00 0.43 0.00 0.00 52.55 52.53 3d0h s ASP 543 Cb -0.26 -0.52 0.69 0.00 -0.30 0.00 0.00 42.92 42.53 3d0h s ASP 543 CO 0.33 -0.36 1.23 2.30 -0.17 0.00 0.00 175.17 178.50 3d0h n ILE 544 N 5.10 0.00 -0.72 4.11 -5.35 -1.26 -4.85 119.36 116.39 3d0h n ILE 544 Ca -0.07 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.09 3d0h n ILE 544 Cb 0.46 -0.39 0.15 0.00 -1.74 0.00 0.00 39.64 38.12 3d0h n ILE 544 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3d0h n SER 545 N -0.75 -0.70 -3.49 7.28 7.64 -1.26 -2.79 113.62 119.55 3d0h n SER 545 Ca 0.09 0.37 -0.23 0.00 1.01 0.00 0.00 58.87 60.11 3d0h n SER 545 Cb 0.04 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 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 -3.04 -2.44 -0.13 6.43 5.03 -1.26 -4.83 115.26 115.01 3d0h n ASN 546 Ca 0.10 -0.41 -0.25 0.00 0.87 0.00 0.00 54.58 54.88 3d0h n ASN 546 Cb 0.53 -2.09 -0.10 0.00 -1.02 0.00 0.00 39.78 37.10 3d0h n ASN 546 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3d0h n SER 547 N -2.13 1.92 0.00 6.41 2.88 -1.12 -4.94 113.62 116.64 3d0h n SER 547 Ca 0.03 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 3d0h n SER 547 Cb 0.50 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 3d0h n SER 547 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3d0h n THR 548 N -3.93 0.00 0.21 2.46 -1.04 -1.14 -4.02 114.28 106.83 3d0h n THR 548 Ca -0.50 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 61.62 3d0h n THR 548 Cb 0.90 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.98 3d0h n THR 548 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 3d0h h GLU 549 N 0.00 0.00 0.04 -2.82 4.11 -1.91 0.27 114.58 114.27 3d0h h GLU 549 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3d0h h GLU 549 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3d0h h GLU 549 CO 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 179.01 179.06 3d0h h ALA 550 N 1.50 -0.06 -0.74 1.06 0.00 -1.83 -3.13 119.26 116.06 3d0h h ALA 550 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.95 3d0h h ALA 550 Cb 0.41 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.09 3d0h h ALA 550 CO 0.00 -0.06 -0.34 0.78 0.00 0.00 0.00 179.25 179.63 3d0h h GLY 551 N -1.01 0.02 -0.50 0.00 0.00 -0.66 -0.38 103.07 100.54 3d0h h GLY 551 Ca -0.01 0.45 0.09 0.00 0.00 0.00 0.00 47.33 47.86 3d0h h GLY 551 CO 0.01 -0.22 -0.42 -1.61 0.00 0.00 0.00 176.54 174.30 3d0h h GLN 552 N -0.09 -0.20 -0.41 4.80 5.75 -1.02 1.64 115.11 125.58 3d0h h GLN 552 Ca 0.28 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.89 3d0h h GLN 552 Cb 0.57 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 3d0h h GLN 552 CO -0.79 -0.14 0.28 -0.22 -2.65 0.00 0.00 178.83 175.31 3d0h h LYS 553 N -0.21 0.15 0.00 1.69 3.64 -1.16 -1.55 116.57 119.13 3d0h h LYS 553 Ca 0.19 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3d0h h LYS 553 Cb 0.56 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3d0h h LYS 553 CO -0.70 0.10 -0.00 1.25 -2.27 0.00 0.00 179.45 177.83 3d0h h LEU 554 N 0.15 -0.00 -2.24 5.20 5.85 0.16 -3.34 115.31 121.08 3d0h h LEU 554 Ca 0.19 -0.89 0.04 0.00 0.84 0.00 0.00 57.88 58.06 3d0h h LEU 554 Cb 0.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3d0h h LEU 554 CO -0.03 0.90 0.24 0.15 -0.34 0.00 0.00 178.44 179.37 3d0h h PHE 555 N -0.92 0.00 -0.47 1.25 3.04 0.26 -1.07 116.94 119.03 3d0h h PHE 555 Ca -0.00 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.90 3d0h h PHE 555 Cb 0.89 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.38 3d0h h PHE 555 CO 0.24 0.00 0.10 -0.91 -2.02 0.00 0.00 178.31 175.72 3d0h h ASN 556 N 0.00 0.66 0.16 0.41 4.21 -1.41 -2.23 115.58 117.38 3d0h h ASN 556 Ca 0.07 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.47 3d0h h ASN 556 Cb 0.55 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 3d0h h ASN 556 CO -0.00 0.66 -0.79 1.15 -1.29 0.00 0.00 177.43 177.16 3d0h n MET 557 N -4.29 0.10 0.09 0.81 0.00 -0.48 -4.18 117.12 109.16 3d0h n MET 557 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 57.70 57.61 3d0h n MET 557 Cb 0.22 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.89 3d0h n MET 557 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3d0h h LEU 558 N 0.18 0.00 -0.01 3.17 4.07 -1.06 -3.31 115.31 118.34 3d0h h LEU 558 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3d0h h LEU 558 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3d0h h LEU 558 CO 0.00 0.85 -0.00 -2.11 -1.08 0.00 0.00 178.44 176.10 3d0h n ARG 559 N -3.40 0.90 -0.11 1.13 1.85 -0.87 -3.59 116.66 112.57 3d0h n ARG 559 Ca 0.00 -0.01 -0.15 0.00 -1.00 0.00 0.00 57.85 56.69 3d0h n ARG 559 Cb 0.85 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.65 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 -1.04 2.66 0.00 2.89 4.32 -1.25 -4.55 117.00 120.03 3d0h n LEU 560 Ca 0.22 -0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 3d0h n LEU 560 Cb 0.14 -0.66 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 3d0h n LEU 560 CO 0.19 0.84 0.00 0.61 -1.22 0.00 0.00 177.39 177.81 3d0h n GLY 561 N 2.36 1.87 0.00 -0.72 0.00 -1.25 -1.21 105.19 106.24 3d0h n GLY 561 Ca -0.39 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.43 3d0h n GLY 561 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d0h n LYS 562 N 14.00 0.44 -0.22 1.61 5.02 0.23 -3.92 118.16 135.33 3d0h n LYS 562 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3d0h n LYS 562 Cb 0.00 -1.45 0.23 0.00 -0.02 0.00 0.00 35.03 33.78 3d0h n LYS 562 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3d0h h SER 563 N 0.00 0.87 -3.25 4.39 0.87 -1.32 -3.43 113.55 111.68 3d0h h SER 563 Ca 0.00 -0.04 -0.51 0.00 -1.23 0.00 0.00 61.79 60.01 3d0h h SER 563 Cb 0.00 -0.22 -0.16 0.00 -0.44 0.00 0.00 62.40 61.58 3d0h h SER 563 CO 0.00 0.66 -0.76 -1.61 -0.53 0.00 0.00 176.83 174.59 3d0h s GLU 564 N -5.78 1.35 0.24 2.24 0.41 -1.25 -4.88 118.70 111.02 3d0h s GLU 564 Ca -0.11 -1.52 -0.31 0.00 -0.41 0.00 0.00 54.97 52.62 3d0h s GLU 564 Cb 0.17 -1.32 -0.13 0.00 -1.78 0.00 0.00 34.13 31.07 3d0h s GLU 564 CO 0.79 0.25 1.43 -2.30 -0.49 0.00 0.00 175.26 174.93 3d0h n PRO 565 N -0.06 2.08 -0.29 0.39 -0.02 -1.26 -4.70 135.00 131.13 3d0h n PRO 565 Ca -0.10 0.74 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 3d0h n PRO 565 Cb 0.59 -2.41 0.28 0.00 -0.02 0.00 0.00 33.50 31.94 3d0h n PRO 565 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3d0h h TRP 566 N 4.33 0.44 -0.98 6.00 5.08 -1.92 0.46 115.95 129.35 3d0h h TRP 566 Ca -0.45 0.05 0.24 0.00 1.08 0.00 0.00 58.89 59.81 3d0h h TRP 566 Cb 1.27 -0.06 -0.18 0.00 -3.00 0.00 0.00 29.16 27.19 3d0h h TRP 566 CO 0.57 -0.14 -0.07 1.79 -1.28 0.00 0.00 178.44 179.31 3d0h h THR 567 N 0.27 0.03 0.19 0.12 1.35 -1.86 1.95 112.91 114.97 3d0h h THR 567 Ca 0.54 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.38 3d0h h THR 567 Cb 1.04 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3d0h h THR 567 CO -0.59 0.00 -0.09 0.25 -0.25 0.00 0.00 175.52 174.83 3d0h h LEU 568 N 0.01 -0.22 -0.61 3.87 5.85 -0.45 -0.40 115.31 123.36 3d0h h LEU 568 Ca 0.55 -0.30 0.12 0.00 0.84 0.00 0.00 57.88 59.09 3d0h h LEU 568 Cb 1.03 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.00 3d0h h LEU 568 CO -0.94 0.24 -0.12 0.00 -0.34 0.00 0.00 178.44 177.28 3d0h h ALA 569 N -0.11 0.44 -0.60 1.25 0.00 -0.15 0.19 119.26 120.29 3d0h h ALA 569 Ca -0.03 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3d0h h ALA 569 Cb 0.51 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3d0h h ALA 569 CO 0.04 -0.42 0.15 1.25 0.00 0.00 0.00 179.25 180.27 3d0h h LEU 570 N 0.02 0.87 -0.68 0.00 5.85 0.29 -2.56 115.31 119.10 3d0h h LEU 570 Ca 0.30 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3d0h h LEU 570 Cb 0.47 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3d0h h LEU 570 CO -0.61 0.84 0.38 -0.08 -0.34 0.00 0.00 178.44 178.63 3d0h h GLU 571 N 0.89 0.95 -0.56 1.25 4.81 0.95 -2.29 114.58 120.59 3d0h h GLU 571 Ca 0.19 -0.11 0.16 0.00 -0.13 0.00 0.00 59.36 59.48 3d0h h GLU 571 Cb 0.31 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3d0h h GLU 571 CO -0.00 0.70 0.55 -0.91 -0.73 0.00 0.00 179.01 178.62 3d0h h ASN 572 N 0.93 0.00 0.00 1.04 4.21 -0.32 -1.04 115.58 120.41 3d0h h ASN 572 Ca 0.24 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.50 3d0h h ASN 572 Cb 0.03 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.18 3d0h h ASN 572 CO -0.04 0.00 -1.94 1.33 -1.29 0.00 0.00 177.43 175.49 3d0h n VAL 573 N -3.78 0.94 -0.10 2.81 0.24 -1.06 -4.81 118.33 112.57 3d0h n VAL 573 Ca 0.11 -0.55 -0.13 0.00 -2.04 0.00 0.00 64.34 61.73 3d0h n VAL 573 Cb 0.77 -0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.57 1.51 0.00 3.34 0.24 -0.88 -4.67 118.33 115.29 3d0h n VAL 574 Ca -0.23 0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3d0h n VAL 574 Cb 0.93 -2.26 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 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 1.42 1.41 3.20 7.63 0.00 -0.41 -4.98 105.19 113.46 3d0h n GLY 575 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.87 1.26 -2.32 4.61 0.00 -1.26 -5.02 121.76 117.15 3d0h s ALA 576 Ca 0.00 -1.24 0.25 0.00 0.00 0.00 0.00 51.96 50.97 3d0h s ALA 576 Cb 0.00 -0.00 1.04 0.00 0.00 0.00 0.00 23.12 24.15 3d0h s ALA 576 CO 0.00 0.00 1.72 1.63 0.00 0.00 0.00 175.76 179.11 3d0h n LYS 577 N 0.50 1.56 -3.94 0.00 5.02 -1.26 -3.33 118.16 116.70 3d0h n LYS 577 Ca -0.15 -0.82 -0.16 0.00 -2.02 0.00 0.00 58.31 55.16 3d0h n LYS 577 Cb 0.58 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.11 3d0h n LYS 577 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3d0h n ASN 578 N 0.02 -1.04 -4.66 4.39 2.85 -1.26 -4.68 115.26 110.87 3d0h n ASN 578 Ca 0.18 -2.89 -0.43 0.00 -0.11 0.00 0.00 54.58 51.33 3d0h n ASN 578 Cb 0.29 2.07 -0.02 0.00 1.24 0.00 0.00 39.78 43.36 3d0h n ASN 578 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3d0h s MET 579 N -2.96 4.28 -0.10 1.20 0.00 -1.26 -5.04 119.30 115.43 3d0h s MET 579 Ca 0.31 1.38 0.03 0.00 0.00 0.00 0.00 55.69 57.41 3d0h s MET 579 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 34.83 31.21 3d0h s MET 579 CO 0.22 -0.59 -0.18 1.21 0.00 0.00 0.00 175.02 175.68 3d0h s ASN 580 N 1.23 2.61 0.08 1.11 3.04 -1.26 -5.00 114.94 116.74 3d0h s ASN 580 Ca 0.45 -0.47 0.01 0.00 0.04 0.00 0.00 52.86 52.89 3d0h s ASN 580 Cb -0.16 -1.19 -0.25 0.00 -1.54 0.00 0.00 41.25 38.11 3d0h s ASN 580 CO 0.08 0.07 1.14 1.62 -3.04 0.00 0.00 177.10 176.98 3d0h h VAL 581 N 5.87 1.51 -0.52 -5.21 3.04 -1.92 -3.38 116.25 115.64 3d0h h VAL 581 Ca -0.28 -3.16 0.06 0.00 -1.01 0.00 0.00 66.70 62.32 3d0h h VAL 581 Cb 1.20 2.87 -0.07 0.00 -2.01 0.00 0.00 31.29 33.27 3d0h h VAL 581 CO 0.49 0.90 -0.25 -1.14 -1.01 0.00 0.00 177.57 176.56 3d0h n ARG 582 N -3.43 -0.17 -0.20 4.17 0.63 -1.26 -0.65 116.66 115.75 3d0h n ARG 582 Ca -0.07 0.79 -0.05 0.00 -0.92 0.00 0.00 57.85 57.61 3d0h n ARG 582 Cb 1.00 -1.17 0.06 0.00 0.45 0.00 0.00 32.46 32.79 3d0h n ARG 582 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3d0h h PRO 583 N 0.00 0.67 -0.97 -0.14 0.11 -1.84 0.20 132.00 130.04 3d0h h PRO 583 Ca 0.13 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.39 3d0h h PRO 583 Cb 0.26 -0.15 -0.11 0.00 0.11 0.00 0.00 31.00 31.12 3d0h h PRO 583 CO -0.50 0.44 0.57 1.25 -0.21 0.00 0.00 178.00 179.55 3d0h h LEU 584 N 0.69 0.71 -0.48 2.35 5.85 -1.07 -0.74 115.31 122.62 3d0h h LEU 584 Ca 0.24 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.89 3d0h h LEU 584 Cb 0.04 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3d0h h LEU 584 CO -0.11 0.25 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.58 3d0h h LEU 585 N 0.72 0.60 -1.01 2.25 3.38 -0.67 -2.98 115.31 117.60 3d0h h LEU 585 Ca 0.56 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3d0h h LEU 585 Cb 0.85 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3d0h h LEU 585 CO -0.39 1.06 0.26 0.78 0.09 0.00 0.00 178.44 180.25 3d0h h ASN 586 N 0.40 0.89 -0.81 -0.43 -0.26 0.39 0.19 115.58 115.95 3d0h h ASN 586 Ca -0.00 -0.12 0.03 0.00 -0.56 0.00 0.00 56.30 55.65 3d0h h ASN 586 Cb 1.14 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 38.13 3d0h h ASN 586 CO 0.11 0.80 0.52 0.22 -1.06 0.00 0.00 177.43 178.02 3d0h h TYR 587 N 0.96 0.98 -0.66 1.19 3.20 -1.14 -2.99 116.97 118.50 3d0h h TYR 587 Ca 0.22 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3d0h h TYR 587 Cb 0.18 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.13 3d0h h TYR 587 CO 0.01 0.57 0.00 1.19 -1.64 0.00 0.00 178.16 178.29 3d0h n PHE 588 N -4.58 0.95 -0.34 -3.82 3.01 -0.84 -4.57 117.46 107.26 3d0h n PHE 588 Ca 0.10 -0.51 -0.01 0.00 1.01 0.00 0.00 57.45 58.03 3d0h n PHE 588 Cb 0.08 -0.03 0.14 0.00 -0.01 0.00 0.00 39.48 39.67 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 3.90 1.25 -0.03 -1.08 4.39 -0.49 0.13 114.58 122.65 3d0h h GLU 589 Ca 0.00 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 3d0h h GLU 589 Cb 1.00 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3d0h h GLU 589 CO 0.02 0.83 -0.40 -1.35 -1.16 0.00 0.00 179.01 176.95 3d0h h PRO 590 N 1.29 0.06 -0.03 2.33 0.11 -1.81 -2.09 132.00 131.86 3d0h h PRO 590 Ca 0.35 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.26 3d0h h PRO 590 Cb -0.14 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 30.98 3d0h h PRO 590 CO -0.08 0.45 -0.67 1.25 -0.21 0.00 0.00 178.00 178.74 3d0h h LEU 591 N 0.05 0.64 -0.73 2.35 5.85 -1.70 -3.18 115.31 118.59 3d0h h LEU 591 Ca 0.00 -0.73 0.12 0.00 0.84 0.00 0.00 57.88 58.12 3d0h h LEU 591 Cb 0.73 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 3d0h h LEU 591 CO 0.05 1.28 0.33 0.15 -0.34 0.00 0.00 178.44 179.91 3d0h h PHE 592 N 0.06 0.57 0.43 1.25 3.57 -0.62 0.70 116.94 122.90 3d0h h PHE 592 Ca -0.08 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3d0h h PHE 592 Cb 1.35 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3d0h h PHE 592 CO 0.13 0.14 -0.20 1.79 -2.23 0.00 0.00 178.31 177.94 3d0h h THR 593 N 0.52 0.55 -0.45 4.41 1.35 -1.47 -1.97 112.91 115.85 3d0h h THR 593 Ca 0.38 -0.36 0.07 0.00 -0.55 0.00 0.00 66.41 65.96 3d0h h THR 593 Cb 0.50 0.71 -0.09 0.00 -1.73 0.00 0.00 68.15 67.54 3d0h h THR 593 CO -0.34 0.06 -0.46 -0.25 -0.25 0.00 0.00 175.52 174.29 3d0h h TRP 594 N -0.79 -1.36 -0.91 4.73 7.01 -1.44 -0.93 115.95 122.25 3d0h h TRP 594 Ca -0.06 0.08 0.16 0.00 2.11 0.00 0.00 58.89 61.18 3d0h h TRP 594 Cb 0.54 0.66 -0.16 0.00 -2.10 0.00 0.00 29.16 28.10 3d0h h TRP 594 CO -0.00 -0.45 -0.31 -0.07 -2.79 0.00 0.00 178.44 174.82 3d0h h LEU 595 N -0.32 -1.15 -0.99 0.65 -0.00 -0.85 0.15 115.31 112.80 3d0h h LEU 595 Ca 0.13 0.29 0.04 0.00 -0.00 0.00 0.00 57.88 58.34 3d0h h LEU 595 Cb 0.58 0.65 -0.06 0.00 -0.00 0.00 0.00 40.66 41.84 3d0h h LEU 595 CO -0.61 -0.30 0.65 0.11 -0.00 0.00 0.00 178.44 178.29 3d0h h LYS 596 N -0.02 1.19 -0.12 1.13 1.57 -0.37 0.12 116.57 120.07 3d0h h LYS 596 Ca 0.38 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.98 3d0h h LYS 596 Cb 0.63 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3d0h h LYS 596 CO -0.94 0.79 -0.34 0.22 -0.57 0.00 0.00 179.45 178.62 3d0h h ASP 597 N 1.23 0.50 -0.73 0.86 1.82 -0.97 -2.99 116.42 116.15 3d0h h ASP 597 Ca 0.40 -0.60 0.15 0.00 -0.39 0.00 0.00 57.03 56.60 3d0h h ASP 597 Cb 0.04 -0.15 -0.10 0.00 0.68 0.00 0.00 39.33 39.80 3d0h h ASP 597 CO -0.14 1.01 0.20 1.56 -1.61 0.00 0.00 179.24 180.26 3d0h h GLN 598 N 0.02 0.29 0.00 0.28 1.08 0.33 -0.06 115.11 117.05 3d0h h GLN 598 Ca -0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3d0h h GLN 598 Cb 0.96 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3d0h h GLN 598 CO 0.07 0.19 0.00 0.09 -0.95 0.00 0.00 178.83 178.24 3d0h n ASN 599 N -5.12 0.00 -0.13 1.46 5.03 0.30 -4.28 115.26 112.51 3d0h n ASN 599 Ca 0.14 -1.14 0.04 0.00 0.87 0.00 0.00 54.58 54.49 3d0h n ASN 599 Cb 0.44 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 39.28 3d0h n ASN 599 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3d0h n LYS 600 N -0.87 -0.03 -0.00 3.52 3.00 -0.04 -1.68 118.16 122.06 3d0h n LYS 600 Ca 0.16 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 3d0h n LYS 600 Cb 0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 35.03 34.22 3d0h n LYS 600 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3d0h n ASN 601 N -4.47 0.68 -4.89 3.14 3.02 -1.26 -5.02 115.26 106.46 3d0h n ASN 601 Ca 0.07 -0.44 -0.29 0.00 -0.03 0.00 0.00 54.58 53.89 3d0h n ASN 601 Cb 0.24 1.00 0.04 0.00 -0.61 0.00 0.00 39.78 40.45 3d0h n ASN 601 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3d0h s SER 602 N -1.18 5.55 0.09 6.41 1.04 -0.67 -5.04 113.70 119.89 3d0h s SER 602 Ca 0.00 1.06 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 3d0h s SER 602 Cb 0.00 -1.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.13 3d0h s SER 602 CO 0.02 -1.24 0.70 0.12 0.98 0.00 0.00 173.24 173.82 3d0h s PHE 603 N -3.26 3.81 -0.24 5.02 5.99 -1.26 -4.91 117.98 123.12 3d0h s PHE 603 Ca 0.57 1.45 -0.07 0.00 0.00 0.00 0.00 56.93 58.88 3d0h s PHE 603 Cb -0.11 -2.70 -0.03 0.00 0.00 0.00 0.00 43.02 40.19 3d0h s PHE 603 CO 0.50 0.45 0.05 0.08 -0.00 0.00 0.00 175.22 176.30 3d0h s VAL 604 N -0.73 4.17 0.00 3.12 1.01 -1.26 -4.68 120.40 122.03 3d0h s VAL 604 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3d0h s VAL 604 Cb -0.21 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3d0h s VAL 604 CO 0.22 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3d0h n GLY 605 N 4.86 -0.32 3.57 4.51 0.00 -1.26 -5.08 105.19 111.46 3d0h n GLY 605 Ca -0.16 -2.24 -0.15 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.02 -0.66 0.01 1.61 -2.14 -1.26 -4.77 118.94 111.72 3d0h s TRP 606 Ca 0.00 1.35 -0.23 0.00 2.66 0.00 0.00 56.10 59.88 3d0h s TRP 606 Cb 0.00 0.36 -0.05 0.00 -3.10 0.00 0.00 33.47 30.68 3d0h s TRP 606 CO 0.00 -0.47 0.69 0.45 -2.66 0.00 0.00 176.95 174.96 3d0h s SER 607 N -0.52 7.09 0.22 -2.66 0.15 -0.60 -4.95 113.70 112.43 3d0h s SER 607 Ca -0.05 1.30 -0.06 0.00 0.70 0.00 0.00 55.95 57.84 3d0h s SER 607 Cb -0.02 -2.42 0.20 0.00 -1.71 0.00 0.00 66.02 62.07 3d0h s SER 607 CO 0.05 0.03 1.75 0.71 1.20 0.00 0.00 173.24 176.97 3d0h h THR 608 N 4.22 1.25 0.00 6.45 1.35 -1.92 -3.32 112.91 120.95 3d0h h THR 608 Ca -0.44 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.48 3d0h h THR 608 Cb 1.20 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3d0h h THR 608 CO 0.71 0.36 -0.05 0.44 -0.25 0.00 0.00 175.52 176.73 3d0h h ASP 609 N 1.01 0.00 -3.96 5.36 5.19 -1.99 -3.45 116.42 118.58 3d0h h ASP 609 Ca 0.21 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 56.12 3d0h h ASP 609 Cb 0.35 0.00 0.05 0.00 0.18 0.00 0.00 39.33 39.90 3d0h h ASP 609 CO 0.00 0.05 0.48 0.86 -3.12 0.00 0.00 179.24 177.51 3d0h s TRP 610 N -3.89 3.07 -0.01 4.55 -0.00 -1.25 -5.07 118.94 116.35 3d0h s TRP 610 Ca -0.01 1.57 -0.04 0.00 -0.00 0.00 0.00 56.10 57.62 3d0h s TRP 610 Cb 0.11 -3.34 -0.00 0.00 -0.00 0.00 0.00 33.47 30.24 3d0h s TRP 610 CO 0.53 -1.21 0.08 -1.12 -0.00 0.00 0.00 176.95 175.23 3d0h s SER 611 N -1.26 0.03 0.00 5.86 0.01 -1.26 -4.76 113.70 112.31 3d0h s SER 611 Ca 0.58 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.73 3d0h s SER 611 Cb -0.28 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.12 3d0h s SER 611 CO 0.36 -0.21 1.59 -0.81 0.41 0.00 0.00 173.24 174.57 3d0h n PRO 612 N 2.14 0.96 0.00 12.44 -0.04 -1.26 -3.46 135.00 145.77 3d0h n PRO 612 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3d0h n PRO 612 Cb 0.57 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 3d0h n PRO 612 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3d0h n TYR 613 N 1.18 0.00 -1.41 0.54 0.18 -1.26 -4.86 117.16 111.52 3d0h n TYR 613 Ca 0.00 0.00 0.17 0.00 1.88 0.00 0.00 57.90 59.95 3d0h n TYR 613 Cb 0.48 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.36 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 -0.06 -3.71 -0.75 -3.48 0.00 -1.22 -5.15 120.51 106.14 3d0h n ALA 614 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.21 3d0h n ALA 614 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3d0h n ALA 614 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25