#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmh s GLN 36 N 0.00 4.49 0.31 1.45 0.74 -1.26 -4.86 119.66 120.53 2wmh s GLN 36 Ca 0.00 1.17 -0.29 0.00 0.05 0.00 0.00 55.36 56.29 2wmh s GLN 36 Cb 0.00 -2.90 -0.11 0.00 1.10 0.00 0.00 33.01 31.11 2wmh s GLN 36 CO 0.00 0.36 1.43 -1.64 -0.55 0.00 0.00 175.29 174.89 2wmh s MET 37 N -1.89 4.23 0.34 1.67 -1.94 -1.26 -4.39 119.30 116.05 2wmh s MET 37 Ca 0.46 2.39 0.18 0.00 -1.71 0.00 0.00 55.69 57.01 2wmh s MET 37 Cb -0.19 -3.05 0.33 0.00 2.01 0.00 0.00 34.83 33.93 2wmh s MET 37 CO 0.24 -0.41 1.57 0.00 -0.01 0.00 0.00 175.02 176.40 2wmh h ARG 38 N 3.95 0.00 -4.09 2.03 3.08 -0.70 -3.44 114.38 115.21 2wmh h ARG 38 Ca -0.48 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.23 2wmh h ARG 38 Cb 1.23 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.97 2wmh h ARG 38 CO 0.70 0.39 -0.75 0.99 -1.07 0.00 0.00 179.97 180.23 2wmh s THR 39 N -3.19 0.36 -0.26 2.04 2.01 -1.26 -5.00 115.64 110.33 2wmh s THR 39 Ca 0.03 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.76 2wmh s THR 39 Cb 0.08 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 2wmh s THR 39 CO 0.71 0.14 0.38 -0.89 -0.69 0.00 0.00 174.62 174.27 2wmh s THR 40 N 0.33 5.17 -0.14 -0.82 2.01 -1.26 -5.03 115.64 115.90 2wmh s THR 40 Ca -0.03 0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 2wmh s THR 40 Cb -0.07 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.77 2wmh s THR 40 CO -0.00 0.16 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.40 2wmh s ILE 41 N 2.03 1.03 0.24 1.82 1.01 -1.25 -4.74 121.20 121.34 2wmh s ILE 41 Ca 0.15 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.15 2wmh s ILE 41 Cb -0.16 -1.15 0.07 0.00 0.01 0.00 0.00 42.46 41.24 2wmh s ILE 41 CO 0.10 0.23 0.96 0.54 0.00 0.00 0.00 174.94 176.77 2wmh s ASN 42 N 1.68 -0.00 0.46 3.58 2.20 -0.80 -4.93 114.94 117.14 2wmh s ASN 42 Ca 0.03 -0.81 0.17 0.00 -0.94 0.00 0.00 52.86 51.31 2wmh s ASN 42 Cb -0.14 0.61 1.14 0.00 -2.00 0.00 0.00 41.25 40.85 2wmh s ASN 42 CO -0.08 -1.20 1.97 -0.55 -2.94 0.00 0.00 177.10 174.31 2wmh h ASN 43 N 2.00 0.27 0.88 3.54 -1.07 -1.90 -0.45 115.58 118.84 2wmh h ASN 43 Ca -0.29 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.09 2wmh h ASN 43 Cb 1.23 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 2wmh h ASN 43 CO 0.37 0.15 -0.02 -0.62 0.07 0.00 0.00 177.43 177.38 2wmh n GLU 44 N -4.45 0.10 -3.00 4.14 1.02 -1.26 -3.40 120.64 113.80 2wmh n GLU 44 Ca 0.11 -0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.08 2wmh n GLU 44 Cb 0.46 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 2wmh n GLU 44 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2wmh n SER 45 N -1.44 -1.53 -4.67 1.62 2.88 -0.20 -5.00 113.62 105.28 2wmh n SER 45 Ca 0.09 -2.91 -0.29 0.00 -1.33 0.00 0.00 58.87 54.43 2wmh n SER 45 Cb 0.32 0.60 0.15 0.00 -0.75 0.00 0.00 64.21 64.53 2wmh n SER 45 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2wmh s PRO 46 N -0.06 0.81 -0.10 -1.46 0.04 -1.09 -1.90 135.00 131.25 2wmh s PRO 46 Ca 0.33 0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.65 2wmh s PRO 46 Cb 0.15 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.91 2wmh s PRO 46 CO -0.17 -2.42 -0.12 -1.17 0.04 0.00 0.00 177.00 173.17 2wmh s LEU 47 N -6.17 1.53 -0.23 -3.56 2.96 0.03 -4.64 118.68 108.60 2wmh s LEU 47 Ca 0.65 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 2wmh s LEU 47 Cb -0.15 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 2wmh s LEU 47 CO 0.54 -0.03 0.06 -0.22 -1.32 0.00 0.00 176.35 175.39 2wmh s LEU 48 N 1.16 3.52 -0.16 -0.68 2.96 0.17 -1.14 118.68 124.52 2wmh s LEU 48 Ca -0.04 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 2wmh s LEU 48 Cb -0.14 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2wmh s LEU 48 CO -0.03 0.02 0.03 -0.76 -1.32 0.00 0.00 176.35 174.29 2wmh s LEU 49 N 1.27 3.66 -0.12 -0.68 1.43 0.19 -1.65 118.68 122.78 2wmh s LEU 49 Ca 0.05 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2wmh s LEU 49 Cb -0.15 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.19 2wmh s LEU 49 CO 0.03 0.22 -0.19 -0.44 0.23 0.00 0.00 176.35 176.20 2wmh s SER 50 N 0.09 2.79 0.02 2.29 0.01 -0.97 -4.28 113.70 113.65 2wmh s SER 50 Ca 0.03 -0.51 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 2wmh s SER 50 Cb -0.13 -1.27 -0.05 0.00 0.21 0.00 0.00 66.02 64.78 2wmh s SER 50 CO 0.01 0.07 0.31 -2.16 0.41 0.00 0.00 173.24 171.89 2wmh s PRO 51 N 0.76 3.66 0.07 12.44 0.04 -1.26 -1.24 135.00 149.47 2wmh s PRO 51 Ca -0.10 0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.06 2wmh s PRO 51 Cb -0.16 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2wmh s PRO 51 CO 0.01 0.64 -0.13 -0.51 0.04 0.00 0.00 177.00 177.05 2wmh s LEU 52 N -1.65 2.88 -0.04 -3.56 1.43 0.55 -4.93 118.68 113.36 2wmh s LEU 52 Ca 0.27 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2wmh s LEU 52 Cb -0.14 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2wmh s LEU 52 CO 0.15 0.22 -0.22 -0.31 0.23 0.00 0.00 176.35 176.42 2wmh s TYR 53 N -1.07 2.09 0.45 0.29 4.12 -1.26 -1.11 117.35 120.87 2wmh s TYR 53 Ca 0.18 -0.52 -0.23 0.00 0.02 0.00 0.00 57.07 56.52 2wmh s TYR 53 Cb -0.11 -1.37 -0.08 0.00 -1.52 0.00 0.00 41.96 38.89 2wmh s TYR 53 CO 0.09 -0.12 1.17 0.20 0.02 0.00 0.00 175.55 176.91 2wmh s GLY 54 N -0.29 2.79 0.07 0.71 0.00 0.83 0.23 107.32 111.67 2wmh s GLY 54 Ca 0.02 0.94 0.09 0.00 0.00 0.00 0.00 44.72 45.77 2wmh s GLY 54 CO 0.01 1.41 -0.24 0.21 0.00 0.00 0.00 173.10 174.49 2wmh s ASN 55 N -1.33 2.90 -0.38 1.64 2.47 -0.24 -1.90 114.94 118.11 2wmh s ASN 55 Ca 0.63 -0.61 -0.01 0.00 0.42 0.00 0.00 52.86 53.29 2wmh s ASN 55 Cb -0.29 -0.23 0.30 0.00 -1.45 0.00 0.00 41.25 39.57 2wmh s ASN 55 CO 0.35 0.19 1.94 -0.90 -3.72 0.00 0.00 177.10 174.96 2wmh n ASP 56 N 1.56 6.15 0.00 -4.21 5.75 -1.26 -4.34 116.55 120.20 2wmh n ASP 56 Ca -0.17 -3.19 0.00 0.00 -0.01 0.00 0.00 54.79 51.42 2wmh n ASP 56 Cb 0.53 -0.98 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 2wmh n ASP 56 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2wmh n ASN 57 N -0.06 0.00 0.00 -1.12 0.23 -1.26 -5.04 115.26 108.01 2wmh n ASN 57 Ca 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 2wmh n ASN 57 Cb 0.71 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.41 2wmh n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wmh n GLY 58 N -0.07 3.00 0.08 4.83 0.00 -1.26 -1.30 105.19 110.48 2wmh n GLY 58 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.72 2wmh n GLY 58 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wmh n ASN 59 N 1.67 0.23 0.00 1.61 2.04 -1.26 -4.90 115.26 114.65 2wmh n ASN 59 Ca 0.00 -1.74 0.00 0.00 -0.44 0.00 0.00 54.58 52.40 2wmh n ASN 59 Cb 0.00 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.23 2wmh n ASN 59 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wmh n GLY 60 N 0.70 0.68 3.17 4.83 0.00 -0.42 -5.01 105.19 109.13 2wmh n GLY 60 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2wmh n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wmh s LEU 61 N 0.00 2.20 0.50 0.99 1.43 -1.26 -1.07 118.68 121.46 2wmh s LEU 61 Ca 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2wmh s LEU 61 Cb 0.00 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.60 2wmh s LEU 61 CO 0.00 0.03 0.73 0.86 0.23 0.00 0.00 176.35 178.19 2wmh s TRP 62 N -0.94 3.10 -1.41 0.29 -0.00 0.14 -4.38 118.94 115.73 2wmh s TRP 62 Ca 0.02 0.19 0.00 0.00 -0.00 0.00 0.00 56.10 56.30 2wmh s TRP 62 Cb -0.08 -2.51 0.00 0.00 -0.00 0.00 0.00 33.47 30.88 2wmh s TRP 62 CO 0.02 -0.58 0.00 0.91 -0.00 0.00 0.00 176.95 177.29 2wmh n TRP 63 N -2.22 0.00 -1.17 5.86 8.01 -1.26 -2.97 117.44 123.70 2wmh n TRP 63 Ca 0.04 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.17 2wmh n TRP 63 Cb 0.58 -2.42 -0.02 0.00 -2.01 0.00 0.00 31.31 27.44 2wmh n TRP 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wmh n GLY 64 N -1.27 0.73 3.96 6.99 0.00 -1.26 -0.09 105.19 114.24 2wmh n GLY 64 Ca -0.13 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2wmh n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wmh s ASN 65 N -2.40 5.50 0.11 1.61 0.01 -1.16 -3.82 114.94 114.80 2wmh s ASN 65 Ca 0.00 0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.36 2wmh s ASN 65 Cb 0.00 -1.21 -0.04 0.00 0.41 0.00 0.00 41.25 40.40 2wmh s ASN 65 CO 0.00 -0.98 -0.07 0.42 -1.51 0.00 0.00 177.10 174.96 2wmh s THR 66 N -2.72 0.79 0.14 1.60 -4.23 -1.26 -4.75 115.64 105.21 2wmh s THR 66 Ca 0.53 -1.96 -0.18 0.00 -1.18 0.00 0.00 61.69 58.91 2wmh s THR 66 Cb -0.10 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 72.01 2wmh s THR 66 CO 0.39 -0.85 1.78 0.25 -0.54 0.00 0.00 174.62 175.65 2wmh h LEU 67 N 2.94 0.25 -0.55 4.79 5.85 -1.99 -0.39 115.31 126.20 2wmh h LEU 67 Ca -0.36 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2wmh h LEU 67 Cb 1.17 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2wmh h LEU 67 CO 0.64 0.18 0.35 0.50 -0.34 0.00 0.00 178.44 179.77 2wmh h LYS 68 N 0.33 0.73 -0.31 1.25 3.64 -1.97 -1.85 116.57 118.40 2wmh h LYS 68 Ca 0.12 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2wmh h LYS 68 Cb 0.02 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2wmh h LYS 68 CO -0.07 0.51 -0.12 0.78 -2.27 0.00 0.00 179.45 178.27 2wmh h GLY 69 N 0.74 0.56 0.88 5.01 0.00 -1.92 -0.27 103.07 108.07 2wmh h GLY 69 Ca 0.20 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2wmh h GLY 69 CO -0.04 0.36 0.06 0.00 0.00 0.00 0.00 176.54 176.92 2wmh h ALA 70 N 1.39 0.19 -0.03 3.60 0.00 -0.53 -1.44 119.26 122.44 2wmh h ALA 70 Ca 0.09 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2wmh h ALA 70 Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wmh h ALA 70 CO 0.03 -0.22 -0.66 2.35 0.00 0.00 0.00 179.25 180.74 2wmh h TRP 71 N 0.09 0.20 -0.21 0.00 -0.00 -1.20 -2.35 115.95 112.48 2wmh h TRP 71 Ca 0.05 -0.09 0.05 0.00 -0.00 0.00 0.00 58.89 58.90 2wmh h TRP 71 Cb 0.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 2wmh h TRP 71 CO -0.02 0.77 0.15 0.93 -0.00 0.00 0.00 178.44 180.27 2wmh h GLU 72 N 0.11 0.07 0.00 2.65 5.08 -0.82 -2.44 114.58 119.24 2wmh h GLU 72 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wmh h GLU 72 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2wmh h GLU 72 CO 0.10 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 2wmh h ALA 73 N 1.89 1.00 -2.34 3.43 0.00 -0.70 -3.43 119.26 119.11 2wmh h ALA 73 Ca 0.10 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.40 2wmh h ALA 73 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2wmh h ALA 73 CO -0.01 0.00 0.28 0.42 0.00 0.00 0.00 179.25 179.94 2wmh s ILE 74 N -3.42 4.88 0.58 0.00 -1.09 -0.92 -5.02 121.20 116.21 2wmh s ILE 74 Ca 0.04 1.10 -0.20 0.00 -2.23 0.00 0.00 60.65 59.37 2wmh s ILE 74 Cb 0.08 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 2wmh s ILE 74 CO 0.55 -0.15 1.09 -2.65 -1.23 0.00 0.00 174.94 172.55 2wmh n PRO 75 N 5.99 1.12 0.09 2.79 -0.02 -1.26 -4.65 135.00 139.06 2wmh n PRO 75 Ca 0.02 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 2wmh n PRO 75 Cb 0.48 -2.28 0.53 0.00 -0.02 0.00 0.00 33.50 32.21 2wmh n PRO 75 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wmh h GLU 76 N 0.76 0.29 0.00 -0.52 4.39 -1.95 0.46 114.58 118.02 2wmh h GLU 76 Ca -0.49 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2wmh h GLU 76 Cb 1.35 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2wmh h GLU 76 CO 0.53 0.19 0.00 0.38 -1.16 0.00 0.00 179.01 178.95 2wmh h ASP 77 N 0.30 0.00 0.21 1.42 2.03 -2.04 -3.23 116.42 115.11 2wmh h ASP 77 Ca 0.11 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.10 2wmh h ASP 77 Cb 0.07 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.52 2wmh h ASP 77 CO -0.02 0.00 -2.08 0.52 -1.03 0.00 0.00 179.24 176.63 2wmh n VAL 78 N -2.82 1.38 -0.34 4.15 0.31 0.00 -4.43 118.33 116.58 2wmh n VAL 78 Ca 0.03 -0.81 0.23 0.00 -0.01 0.00 0.00 64.34 63.78 2wmh n VAL 78 Cb 0.39 -0.64 0.47 0.00 -0.91 0.00 0.00 33.84 33.14 2wmh n VAL 78 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2wmh h LYS 79 N 0.00 0.36 0.00 5.55 1.57 -1.16 0.45 116.57 123.34 2wmh h LYS 79 Ca -0.41 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2wmh h LYS 79 Cb 2.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.29 2wmh h LYS 79 CO 0.05 0.24 0.00 -2.30 -0.57 0.00 0.00 179.45 176.86 2wmh n PRO 80 N -4.99 0.12 -0.48 3.15 -0.02 -1.26 -2.62 135.00 128.90 2wmh n PRO 80 Ca 0.31 0.56 0.07 0.00 -2.02 0.00 0.00 63.50 62.42 2wmh n PRO 80 Cb 0.95 -1.86 0.15 0.00 -0.02 0.00 0.00 33.50 32.72 2wmh n PRO 80 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wmh n TYR 81 N -2.11 0.00 -4.12 6.00 4.01 0.14 -5.01 117.16 116.08 2wmh n TYR 81 Ca -0.00 -1.07 -0.09 0.00 -0.16 0.00 0.00 57.90 56.57 2wmh n TYR 81 Cb 0.07 -0.18 -0.10 0.00 -0.31 0.00 0.00 39.34 38.81 2wmh n TYR 81 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wmh s ALA 82 N -2.48 0.72 0.20 -0.72 0.00 -1.08 -0.65 121.76 117.75 2wmh s ALA 82 Ca 0.32 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 2wmh s ALA 82 Cb 0.30 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.64 2wmh s ALA 82 CO -0.04 -0.27 0.52 0.00 0.00 0.00 0.00 175.76 175.98 2wmh s ALA 83 N -3.45 -0.86 -0.18 0.00 0.00 -0.66 -4.83 121.76 111.78 2wmh s ALA 83 Ca 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 2wmh s ALA 83 Cb 0.04 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.01 2wmh s ALA 83 CO -0.06 -0.82 0.01 0.42 0.00 0.00 0.00 175.76 175.30 2wmh s ILE 84 N -3.89 4.15 -0.04 0.00 -1.09 -0.37 -2.28 121.20 117.68 2wmh s ILE 84 Ca 0.11 -0.25 -0.19 0.00 -2.23 0.00 0.00 60.65 58.08 2wmh s ILE 84 Cb -0.01 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 2wmh s ILE 84 CO -0.01 0.45 0.53 -0.70 -1.23 0.00 0.00 174.94 173.99 2wmh s GLU 85 N 0.64 4.27 -0.33 2.79 2.12 -0.37 -1.07 118.70 126.75 2wmh s GLU 85 Ca -0.00 0.60 -0.04 0.00 0.36 0.00 0.00 54.97 55.89 2wmh s GLU 85 Cb -0.14 -3.35 0.05 0.00 0.26 0.00 0.00 34.13 30.95 2wmh s GLU 85 CO 0.02 0.35 0.06 -0.51 -0.54 0.00 0.00 175.26 174.64 2wmh s LEU 86 N -0.06 4.22 -0.27 2.70 1.43 0.34 -0.33 118.68 126.70 2wmh s LEU 86 Ca 0.28 -1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 51.99 2wmh s LEU 86 Cb -0.17 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2wmh s LEU 86 CO 0.14 -0.32 0.07 -2.28 0.23 0.00 0.00 176.35 174.19 2wmh s HIS 87 N 1.29 3.10 0.42 0.29 2.46 -0.26 -0.90 115.29 121.68 2wmh s HIS 87 Ca -0.02 -0.72 0.24 0.00 0.47 0.00 0.00 55.06 55.02 2wmh s HIS 87 Cb -0.20 -2.24 1.31 0.00 -0.13 0.00 0.00 32.58 31.32 2wmh s HIS 87 CO -0.00 -0.48 2.04 -1.00 -2.47 0.00 0.00 174.74 172.83 2wmh h PRO 88 N 8.23 0.00 0.00 2.88 0.13 -1.86 0.24 132.00 141.62 2wmh h PRO 88 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2wmh h PRO 88 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2wmh h PRO 88 CO 0.59 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 2wmh n ALA 89 N -2.34 0.00 0.32 -0.56 0.00 -1.26 -0.83 120.51 115.84 2wmh n ALA 89 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.56 2wmh n ALA 89 Cb 0.25 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.32 2wmh n ALA 89 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wmh h LYS 90 N 0.00 0.00 0.00 0.00 1.57 -1.70 -0.12 116.57 116.33 2wmh h LYS 90 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2wmh h LYS 90 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2wmh h LYS 90 CO 0.00 0.00 -0.26 0.28 -0.57 0.00 0.00 179.45 178.90 2wmh h VAL 91 N 0.00 0.78 -3.76 0.50 2.07 -1.14 -3.39 116.25 111.30 2wmh h VAL 91 Ca 0.00 -1.06 -0.52 0.00 0.82 0.00 0.00 66.70 65.94 2wmh h VAL 91 Cb 0.30 1.65 0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2wmh h VAL 91 CO 0.00 0.25 0.58 0.00 0.02 0.00 0.00 177.57 178.42 2wmh s LYS 93 N -1.34 0.10 0.11 0.00 -0.14 -1.26 -3.65 119.74 113.56 2wmh s LYS 93 Ca 0.49 -0.05 0.27 0.00 -1.36 0.00 0.00 55.97 55.32 2wmh s LYS 93 Cb -0.36 -0.09 1.00 0.00 -1.68 0.00 0.00 37.83 36.69 2wmh s LYS 93 CO 0.46 0.03 1.84 -0.35 -0.76 0.00 0.00 175.35 176.56 2wmh n PRO 94 N 3.04 0.14 -4.41 -1.68 -0.04 -1.26 -4.67 135.00 126.12 2wmh n PRO 94 Ca -0.12 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.12 2wmh n PRO 94 Cb 0.60 -1.67 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 2wmh n PRO 94 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wmh s THR 95 N -3.06 2.70 0.32 0.52 2.01 -1.26 -5.09 115.64 111.78 2wmh s THR 95 Ca 0.12 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 2wmh s THR 95 Cb 0.15 -2.15 -0.13 0.00 0.01 0.00 0.00 72.50 70.39 2wmh s THR 95 CO 0.57 0.51 1.30 -1.20 -0.69 0.00 0.00 174.62 175.10 2wmh n SER 96 N 4.19 2.70 0.00 3.53 7.64 -1.24 -1.83 113.62 128.61 2wmh n SER 96 Ca -0.19 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2wmh n SER 96 Cb 0.51 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2wmh n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wmh s ILE 98 N -3.56 3.94 -1.56 0.00 1.01 -0.76 -4.71 121.20 115.55 2wmh s ILE 98 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 60.65 58.78 2wmh s ILE 98 Cb 0.00 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2wmh s ILE 98 CO 0.00 -0.67 2.75 -0.81 0.00 0.00 0.00 174.94 176.21 2wmh n PRO 99 N 4.82 3.43 -2.01 2.79 -0.04 -1.26 -4.41 135.00 138.32 2wmh n PRO 99 Ca -0.07 -2.28 -0.42 0.00 -0.04 0.00 0.00 63.50 60.69 2wmh n PRO 99 Cb 0.41 -2.92 -0.03 0.00 -0.04 0.00 0.00 33.50 30.93 2wmh n PRO 99 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2wmh s ARG 100 N 2.48 4.26 -0.06 0.54 3.52 -1.26 -4.47 118.95 123.96 2wmh s ARG 100 Ca 0.63 2.29 -0.32 0.00 -0.13 0.00 0.00 55.73 58.20 2wmh s ARG 100 Cb 0.17 -3.13 -0.10 0.00 -1.56 0.00 0.00 34.95 30.32 2wmh s ARG 100 CO -0.07 -0.46 1.97 -3.47 -0.81 0.00 0.00 175.30 172.47 2wmh n ASP 101 N 2.84 3.67 -4.11 -2.12 2.03 0.48 -4.80 116.55 114.54 2wmh n ASP 101 Ca 0.09 0.84 -0.10 0.00 0.52 0.00 0.00 54.79 56.13 2wmh n ASP 101 Cb 0.40 -1.45 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 2wmh n ASP 101 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wmh s THR 102 N 4.83 0.06 0.22 5.18 -4.23 -1.26 -5.01 115.64 115.44 2wmh s THR 102 Ca 0.93 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 59.56 2wmh s THR 102 Cb -0.56 -2.13 0.19 0.00 1.34 0.00 0.00 72.50 71.34 2wmh s THR 102 CO 0.46 -0.28 1.87 0.50 -0.54 0.00 0.00 174.62 176.63 2wmh h LYS 103 N 2.70 1.00 -0.27 3.99 3.64 -2.00 -2.06 116.57 123.57 2wmh h LYS 103 Ca -0.34 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 58.86 2wmh h LYS 103 Cb 1.22 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2wmh h LYS 103 CO 0.54 0.66 -0.32 0.93 -2.27 0.00 0.00 179.45 178.99 2wmh h GLU 104 N 1.03 0.56 -0.11 1.90 3.07 -1.96 -1.93 114.58 117.14 2wmh h GLU 104 Ca 0.32 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2wmh h GLU 104 Cb -0.02 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 2wmh h GLU 104 CO -0.10 0.81 0.02 1.25 -1.40 0.00 0.00 179.01 179.59 2wmh h LEU 105 N 0.48 0.17 -0.75 1.33 5.85 -1.72 -2.06 115.31 118.61 2wmh h LEU 105 Ca 0.06 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2wmh h LEU 105 Cb 0.79 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2wmh h LEU 105 CO 0.06 0.38 0.46 0.03 -0.34 0.00 0.00 178.44 179.04 2wmh h ARG 106 N -0.05 1.01 -1.00 1.25 3.08 -1.29 -1.56 114.38 115.81 2wmh h ARG 106 Ca 0.03 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2wmh h ARG 106 Cb 0.28 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2wmh h ARG 106 CO 0.00 0.70 0.66 0.93 -1.07 0.00 0.00 179.97 181.19 2wmh h GLU 107 N 1.02 1.28 -0.17 0.04 5.08 -1.28 -0.48 114.58 120.07 2wmh h GLU 107 Ca 0.27 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2wmh h GLU 107 Cb -0.06 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 28.90 2wmh h GLU 107 CO -0.05 0.85 -0.08 2.35 -1.00 0.00 0.00 179.01 181.08 2wmh h TRP 108 N 1.32 0.41 -0.32 4.33 7.01 -0.92 0.32 115.95 128.11 2wmh h TRP 108 Ca 0.38 -0.10 0.06 0.00 2.11 0.00 0.00 58.89 61.34 2wmh h TRP 108 Cb -0.10 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 26.82 2wmh h TRP 108 CO -0.00 0.66 -0.00 1.88 -2.79 0.00 0.00 178.44 178.19 2wmh h TYR 109 N 0.04 -0.03 -0.42 2.65 0.05 -0.80 -1.64 116.97 116.82 2wmh h TYR 109 Ca 0.04 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2wmh h TYR 109 Cb 0.55 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 2wmh h TYR 109 CO 0.06 -0.06 0.13 0.28 -1.05 0.00 0.00 178.16 177.52 2wmh h VAL 110 N 0.09 1.22 -0.43 -2.88 2.07 -1.03 0.12 116.25 115.40 2wmh h VAL 110 Ca 0.15 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 67.00 2wmh h VAL 110 Cb 0.21 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2wmh h VAL 110 CO -0.26 0.26 0.13 0.50 0.02 0.00 0.00 177.57 178.22 2wmh h LYS 111 N 0.54 0.28 -0.21 1.57 3.64 -0.69 -0.44 116.57 121.26 2wmh h LYS 111 Ca 0.14 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2wmh h LYS 111 Cb 0.27 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2wmh h LYS 111 CO -0.00 0.18 -0.44 0.52 -2.27 0.00 0.00 179.45 177.44 2wmh h MET 112 N 0.29 0.52 -0.58 1.90 2.86 -1.04 -2.31 114.93 116.57 2wmh h MET 112 Ca 0.20 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2wmh h MET 112 Cb 0.22 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2wmh h MET 112 CO -0.23 0.87 0.19 -0.07 1.06 0.00 0.00 176.91 178.73 2wmh h LEU 113 N 0.42 0.84 -0.56 1.22 3.38 -0.37 -0.57 115.31 119.68 2wmh h LEU 113 Ca 0.03 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2wmh h LEU 113 Cb 0.95 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2wmh h LEU 113 CO 0.08 0.82 0.34 -0.33 0.09 0.00 0.00 178.44 179.44 2wmh h GLU 114 N 0.82 0.65 0.41 1.13 4.39 -1.00 0.14 114.58 121.12 2wmh h GLU 114 Ca 0.19 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2wmh h GLU 114 Cb 0.28 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2wmh h GLU 114 CO -0.01 0.43 -0.20 0.93 -1.16 0.00 0.00 179.01 179.00 2wmh h GLU 115 N 0.67 -0.53 -0.88 2.33 5.08 -1.25 -2.11 114.58 117.89 2wmh h GLU 115 Ca 0.23 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 2wmh h GLU 115 Cb 0.03 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2wmh h GLU 115 CO -0.10 -0.31 0.54 0.00 -1.00 0.00 0.00 179.01 178.15 2wmh h ALA 116 N -0.09 1.21 -0.49 3.43 0.00 -0.99 -2.43 119.26 119.90 2wmh h ALA 116 Ca -0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2wmh h ALA 116 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2wmh h ALA 116 CO 0.09 0.28 0.09 0.37 0.00 0.00 0.00 179.25 180.08 2wmh h GLN 117 N 0.98 0.80 -0.39 0.00 5.75 -0.90 0.86 115.11 122.22 2wmh h GLN 117 Ca 0.39 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.69 2wmh h GLN 117 Cb 0.19 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2wmh h GLN 117 CO -0.18 0.80 0.26 0.77 -2.65 0.00 0.00 178.83 177.83 2wmh h SER 118 N 0.68 0.40 -0.38 -0.69 0.02 -1.08 -2.70 113.55 109.80 2wmh h SER 118 Ca 0.15 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2wmh h SER 118 Cb 0.38 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2wmh h SER 118 CO 0.01 0.28 0.00 0.18 -1.14 0.00 0.00 176.83 176.16 2wmh n LEU 119 N -4.48 3.23 -3.70 5.07 4.77 -0.94 -4.98 117.00 115.96 2wmh n LEU 119 Ca 0.03 -1.59 -0.24 0.00 -0.03 0.00 0.00 56.01 54.18 2wmh n LEU 119 Cb 0.10 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2wmh n LEU 119 CO 0.35 0.72 0.10 0.59 -1.33 0.00 0.00 177.39 177.83 2wmh n ASN 120 N 1.22 -3.85 -4.57 -1.43 5.03 0.12 -4.97 115.26 106.80 2wmh n ASN 120 Ca 0.17 -0.70 -0.38 0.00 0.87 0.00 0.00 54.58 54.53 2wmh n ASN 120 Cb 0.53 -4.43 -0.11 0.00 -1.02 0.00 0.00 39.78 34.75 2wmh n ASN 120 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wmh s ILE 121 N -3.41 5.23 0.10 2.41 1.01 -0.17 -5.03 121.20 121.34 2wmh s ILE 121 Ca 0.37 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.79 2wmh s ILE 121 Cb -0.18 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 2wmh s ILE 121 CO 0.78 0.22 1.40 -2.16 0.00 0.00 0.00 174.94 175.18 2wmh s PRO 122 N 1.74 4.31 0.08 2.79 0.04 -1.26 -4.66 135.00 138.05 2wmh s PRO 122 Ca 0.07 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.23 2wmh s PRO 122 Cb -0.16 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 2wmh s PRO 122 CO 0.10 -0.46 -0.12 0.14 0.04 0.00 0.00 177.00 176.71 2wmh s VAL 123 N 1.26 1.01 -0.04 -0.36 -7.23 -0.04 -1.24 120.40 113.76 2wmh s VAL 123 Ca 0.65 -1.46 0.05 0.00 -1.81 0.00 0.00 61.98 59.41 2wmh s VAL 123 Cb -0.37 -1.19 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 2wmh s VAL 123 CO 0.30 -0.40 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.13 2wmh s PHE 124 N -1.85 1.93 -0.19 2.82 0.08 -0.23 -0.49 117.98 120.05 2wmh s PHE 124 Ca 0.01 -0.50 -0.09 0.00 0.12 0.00 0.00 56.93 56.48 2wmh s PHE 124 Cb -0.07 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 2wmh s PHE 124 CO 0.01 -0.13 0.09 -0.51 -0.10 0.00 0.00 175.22 174.58 2wmh s LEU 125 N -0.19 3.99 -0.42 -0.37 1.43 -0.80 -0.51 118.68 121.81 2wmh s LEU 125 Ca 0.00 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.96 2wmh s LEU 125 Cb -0.11 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.11 2wmh s LEU 125 CO 0.01 0.18 1.34 -0.69 0.23 0.00 0.00 176.35 177.42 2wmh s VAL 126 N 0.37 3.98 -0.33 -1.59 1.01 -0.08 -0.39 120.40 123.37 2wmh s VAL 126 Ca 0.05 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.11 2wmh s VAL 126 Cb -0.12 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 2wmh s VAL 126 CO -0.01 -0.81 0.31 2.30 0.00 0.00 0.00 175.10 176.90 2wmh n ILE 127 N 6.99 0.00 -4.18 2.22 -5.35 -0.68 -4.50 119.36 113.87 2wmh n ILE 127 Ca 0.15 -0.31 -0.17 0.00 -0.27 0.00 0.00 62.75 62.15 2wmh n ILE 127 Cb 0.48 0.96 -0.15 0.00 -1.74 0.00 0.00 39.64 39.19 2wmh n ILE 127 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2wmh s MET 128 N -1.76 0.54 -0.09 6.28 -1.94 -1.09 -4.56 119.30 116.68 2wmh s MET 128 Ca 0.02 -0.17 -0.30 0.00 -1.71 0.00 0.00 55.69 53.53 2wmh s MET 128 Cb 0.06 -0.54 0.11 0.00 2.01 0.00 0.00 34.83 36.47 2wmh s MET 128 CO 0.31 0.07 0.92 0.45 -0.01 0.00 0.00 175.02 176.76 2wmh s SER 129 N 0.13 -0.40 -1.50 3.03 0.15 -1.26 -1.62 113.70 112.24 2wmh s SER 129 Ca -0.01 0.28 -0.08 0.00 0.70 0.00 0.00 55.95 56.84 2wmh s SER 129 Cb -0.05 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 2wmh s SER 129 CO -0.00 -0.48 0.67 0.00 1.20 0.00 0.00 173.24 174.63 2wmh n ALA 130 N 0.36 -1.66 -0.95 5.45 0.00 -0.22 -2.24 120.51 121.25 2wmh n ALA 130 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wmh n ALA 130 Cb 0.59 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2wmh n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wmh n GLY 131 N -1.72 0.53 3.70 0.00 0.00 -1.26 -4.97 105.19 101.46 2wmh n GLY 131 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2wmh n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wmh s GLU 132 N -0.41 4.20 -0.03 1.61 2.56 -0.95 -4.89 118.70 120.80 2wmh s GLU 132 Ca 0.00 2.32 0.15 0.00 0.00 0.00 0.00 54.97 57.44 2wmh s GLU 132 Cb 0.00 -3.50 -0.21 0.00 2.00 0.00 0.00 34.13 32.42 2wmh s GLU 132 CO 0.00 -0.70 0.63 0.54 -0.56 0.00 0.00 175.26 175.18 2wmh n ARG 133 N 5.24 0.64 -3.12 4.30 1.74 -1.26 -4.57 116.66 119.62 2wmh n ARG 133 Ca 0.15 0.23 -0.39 0.00 -0.77 0.00 0.00 57.85 57.08 2wmh n ARG 133 Cb 0.40 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 2wmh n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wmh n ASN 134 N -2.95 5.70 -4.94 0.55 5.03 -1.26 -5.02 115.26 112.37 2wmh n ASN 134 Ca -0.16 -3.43 -0.20 0.00 0.87 0.00 0.00 54.58 51.66 2wmh n ASN 134 Cb 1.00 -1.10 0.05 0.00 -1.02 0.00 0.00 39.78 38.71 2wmh n ASN 134 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2wmh s THR 135 N -2.72 2.50 0.43 3.41 -4.23 -1.26 -0.39 115.64 113.38 2wmh s THR 135 Ca 0.34 -0.84 -0.25 0.00 -1.18 0.00 0.00 61.69 59.76 2wmh s THR 135 Cb 0.08 -2.66 -0.10 0.00 1.34 0.00 0.00 72.50 71.16 2wmh s THR 135 CO 0.08 0.00 1.20 1.33 -0.54 0.00 0.00 174.62 176.68 2wmh n VAL 136 N -2.28 2.61 -1.95 2.29 0.24 -1.26 -4.67 118.33 113.31 2wmh n VAL 136 Ca 0.12 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.53 2wmh n VAL 136 Cb 0.60 -1.44 0.01 0.00 -1.47 0.00 0.00 33.84 31.54 2wmh n VAL 136 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 2wmh s PRO 137 N -2.19 3.69 0.43 7.34 0.02 -1.26 -4.90 135.00 138.12 2wmh s PRO 137 Ca 0.62 2.20 0.17 0.00 0.02 0.00 0.00 61.00 64.02 2wmh s PRO 137 Cb -0.52 -2.58 1.08 0.00 0.02 0.00 0.00 34.50 32.50 2wmh s PRO 137 CO 0.57 -0.74 1.89 -1.35 -0.33 0.00 0.00 177.00 177.04 2wmh h PRO 138 N 2.25 0.39 -0.30 5.54 0.11 -1.96 -1.54 132.00 136.49 2wmh h PRO 138 Ca -0.50 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 2wmh h PRO 138 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2wmh h PRO 138 CO 0.61 0.26 -0.21 1.05 -0.21 0.00 0.00 178.00 179.50 2wmh h GLU 139 N 0.40 0.56 -0.44 1.05 9.09 -1.99 -1.01 114.58 122.23 2wmh h GLU 139 Ca 0.42 -0.20 -0.02 0.00 0.05 0.00 0.00 59.36 59.61 2wmh h GLU 139 Cb 1.02 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 28.06 2wmh h GLU 139 CO -0.14 0.73 0.21 2.35 0.05 0.00 0.00 179.01 182.21 2wmh h TRP 140 N 0.50 0.64 -0.34 2.06 7.01 -1.66 -1.38 115.95 122.78 2wmh h TRP 140 Ca 0.08 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 2wmh h TRP 140 Cb 0.64 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 2wmh h TRP 140 CO 0.02 0.52 0.06 1.25 -2.79 0.00 0.00 178.44 177.50 2wmh h LEU 141 N 0.57 0.54 -0.57 0.65 5.85 -1.22 -2.10 115.31 119.03 2wmh h LEU 141 Ca 0.15 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.73 2wmh h LEU 141 Cb 0.13 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 40.90 2wmh h LEU 141 CO -0.02 0.66 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.81 2wmh h ASP 142 N 0.39 -0.53 -1.01 1.25 1.82 -1.03 -0.15 116.42 117.17 2wmh h ASP 142 Ca 0.10 0.17 0.07 0.00 -0.39 0.00 0.00 57.03 56.99 2wmh h ASP 142 Cb 0.35 0.36 -0.07 0.00 0.68 0.00 0.00 39.33 40.64 2wmh h ASP 142 CO 0.01 -0.19 0.65 -0.33 -1.61 0.00 0.00 179.24 177.77 2wmh h GLU 143 N -0.00 1.12 -0.22 0.28 5.08 -0.82 -1.63 114.58 118.38 2wmh h GLU 143 Ca 0.28 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 2wmh h GLU 143 Cb 0.42 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wmh h GLU 143 CO -0.59 0.74 -0.59 1.96 -1.00 0.00 0.00 179.01 179.53 2wmh h GLN 144 N 1.15 0.73 -0.79 2.33 1.08 -0.42 -2.25 115.11 116.93 2wmh h GLN 144 Ca 0.45 -0.48 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2wmh h GLN 144 Cb 0.22 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 2wmh h GLN 144 CO -0.19 1.11 0.50 0.74 -0.95 0.00 0.00 178.83 180.04 2wmh h PHE 145 N 0.55 0.93 -0.83 2.96 0.04 -0.62 0.17 116.94 120.15 2wmh h PHE 145 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.80 2wmh h PHE 145 Cb 1.18 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.98 2wmh h PHE 145 CO 0.06 0.52 0.55 1.96 -0.60 0.00 0.00 178.31 180.80 2wmh h GLN 146 N 0.96 1.09 0.18 1.51 4.20 -1.02 -3.24 115.11 118.79 2wmh h GLN 146 Ca 0.33 -0.07 -0.33 0.00 0.06 0.00 0.00 58.65 58.64 2wmh h GLN 146 Cb 0.05 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 27.60 2wmh h GLN 146 CO -0.13 0.72 -1.57 -0.22 -0.67 0.00 0.00 178.83 176.96 2wmh h LYS 147 N 1.12 0.38 -4.68 1.46 3.64 -0.99 -3.45 116.57 114.06 2wmh h LYS 147 Ca 0.30 -0.65 -0.69 0.00 -1.27 0.00 0.00 60.65 58.35 2wmh h LYS 147 Cb -0.13 0.24 -0.33 0.00 -0.41 0.00 0.00 32.23 31.60 2wmh h LYS 147 CO -0.07 1.28 -0.65 0.71 -2.27 0.00 0.00 179.45 178.45 2wmh s TYR 148 N -2.60 3.38 0.48 1.91 2.02 0.01 -4.96 117.35 117.59 2wmh s TYR 148 Ca -0.11 -2.04 0.26 0.00 -0.37 0.00 0.00 57.07 54.80 2wmh s TYR 148 Cb 0.06 -2.49 1.49 0.00 -0.40 0.00 0.00 41.96 40.62 2wmh s TYR 148 CO 0.88 -0.85 2.12 0.66 -1.57 0.00 0.00 175.55 176.78 2wmh h SER 149 N 8.01 0.00 1.12 2.29 4.64 -1.86 -2.61 113.55 125.14 2wmh h SER 149 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2wmh h SER 149 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2wmh h SER 149 CO 0.59 0.09 0.00 1.33 -0.87 0.00 0.00 176.83 177.97 2wmh n VAL 150 N -3.84 0.68 -2.44 0.95 0.24 -1.26 -4.65 118.33 108.01 2wmh n VAL 150 Ca -0.02 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.82 2wmh n VAL 150 Cb 0.19 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 31.69 2wmh n VAL 150 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wmh s LEU 151 N -4.43 3.38 0.05 1.34 2.96 -0.99 -0.86 118.68 120.14 2wmh s LEU 151 Ca 0.08 0.16 0.24 0.00 -0.22 0.00 0.00 54.13 54.38 2wmh s LEU 151 Cb 0.11 -3.01 0.22 0.00 0.50 0.00 0.00 46.19 44.02 2wmh s LEU 151 CO 0.50 -1.69 1.19 0.29 -1.32 0.00 0.00 176.35 175.32 2wmh n LYS 152 N 8.71 0.20 -3.23 1.98 4.76 0.36 -4.95 118.16 125.98 2wmh n LYS 152 Ca 0.11 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2wmh n LYS 152 Cb 0.49 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 2wmh n LYS 152 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wmh n GLY 153 N 1.40 -0.72 3.11 0.72 0.00 -1.25 -1.56 105.19 106.88 2wmh n GLY 153 Ca 0.03 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 2wmh n GLY 153 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wmh s VAL 154 N -2.86 0.24 0.03 1.61 -7.23 -0.75 -1.90 120.40 109.54 2wmh s VAL 154 Ca 0.00 -1.84 0.08 0.00 -1.81 0.00 0.00 61.98 58.41 2wmh s VAL 154 Cb 0.00 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 2wmh s VAL 154 CO 0.00 -0.90 -0.22 -0.76 -0.31 0.00 0.00 175.10 172.91 2wmh s LEU 155 N -2.95 2.15 -0.19 1.32 1.02 0.47 -1.05 118.68 119.44 2wmh s LEU 155 Ca 0.10 -0.52 -0.03 0.00 0.02 0.00 0.00 54.13 53.71 2wmh s LEU 155 Cb 0.08 -1.06 -0.01 0.00 0.02 0.00 0.00 46.19 45.22 2wmh s LEU 155 CO -0.08 0.20 -0.08 0.21 0.02 0.00 0.00 176.35 176.62 2wmh s ASN 156 N -1.09 4.15 -0.12 2.29 3.84 -0.23 -1.68 114.94 122.10 2wmh s ASN 156 Ca 0.08 -0.39 -0.01 0.00 0.21 0.00 0.00 52.86 52.76 2wmh s ASN 156 Cb -0.09 -1.69 0.03 0.00 -0.55 0.00 0.00 41.25 38.95 2wmh s ASN 156 CO 0.01 0.03 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.69 2wmh s ILE 157 N 1.15 0.79 -0.02 -5.21 1.01 -0.64 -0.67 121.20 117.61 2wmh s ILE 157 Ca 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 2wmh s ILE 157 Cb -0.14 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.41 2wmh s ILE 157 CO -0.02 0.24 0.03 1.21 0.00 0.00 0.00 174.94 176.41 2wmh n GLU 158 N 5.01 -1.12 0.00 2.79 2.13 -0.34 -3.49 120.64 125.60 2wmh n GLU 158 Ca -0.10 1.22 0.00 0.00 0.66 0.00 0.00 57.16 58.93 2wmh n GLU 158 Cb 0.49 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.46 2wmh n GLU 158 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2wmh n ASN 159 N 0.41 0.00 0.29 4.31 3.02 -1.26 -1.06 115.26 120.96 2wmh n ASN 159 Ca -0.06 -0.97 0.14 0.00 -0.03 0.00 0.00 54.58 53.67 2wmh n ASN 159 Cb 0.09 0.00 0.87 0.00 -0.61 0.00 0.00 39.78 40.13 2wmh n ASN 159 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wmh h TYR 160 N 0.00 0.00 -0.09 3.10 -0.00 -1.96 -1.25 116.97 116.77 2wmh h TYR 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2wmh h TYR 160 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.21 2wmh h TYR 160 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 178.16 175.49 2wmh n TRP 161 N -3.95 0.09 -2.70 0.10 4.27 -1.26 -4.50 117.44 109.49 2wmh n TRP 161 Ca -0.03 -0.04 -0.03 0.00 -3.89 0.00 0.00 57.50 53.51 2wmh n TRP 161 Cb 0.10 0.00 0.11 0.00 -1.36 0.00 0.00 31.31 30.16 2wmh n TRP 161 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 2wmh n ILE 162 N 0.70 0.22 -2.13 -1.67 3.06 -0.52 -5.13 119.36 113.89 2wmh n ILE 162 Ca 0.17 -1.47 -0.40 0.00 -2.50 0.00 0.00 62.75 58.56 2wmh n ILE 162 Cb 0.45 1.03 -0.01 0.00 0.54 0.00 0.00 39.64 41.64 2wmh n ILE 162 CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 2wmh s TYR 163 N -0.55 2.96 0.17 9.51 5.04 -0.92 -4.12 117.35 129.45 2wmh s TYR 163 Ca 0.15 1.45 -0.05 0.00 -2.44 0.00 0.00 57.07 56.18 2wmh s TYR 163 Cb 0.42 -3.61 -0.03 0.00 0.35 0.00 0.00 41.96 39.09 2wmh s TYR 163 CO -0.10 -1.83 0.19 0.54 -1.34 0.00 0.00 175.55 173.01 2wmh s ASN 164 N -0.73 0.15 0.00 4.32 2.20 -1.26 -5.06 114.94 114.56 2wmh s ASN 164 Ca 0.54 -1.12 0.23 0.00 -0.94 0.00 0.00 52.86 51.57 2wmh s ASN 164 Cb -0.37 0.39 1.36 0.00 -2.00 0.00 0.00 41.25 40.63 2wmh s ASN 164 CO 0.48 -0.85 1.83 -0.46 -2.94 0.00 0.00 177.10 175.16 2wmh n ASN 165 N -0.20 0.00 0.07 3.54 0.23 -1.26 -3.20 115.26 114.44 2wmh n ASN 165 Ca -0.04 -1.12 0.11 0.00 -0.53 0.00 0.00 54.58 53.00 2wmh n ASN 165 Cb 0.64 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.35 2wmh n ASN 165 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wmh n GLN 166 N -0.89 0.52 -0.10 -3.83 6.02 -1.26 -4.46 117.38 113.39 2wmh n GLN 166 Ca 0.17 0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 57.13 2wmh n GLN 166 Cb 0.08 -1.74 -0.02 0.00 1.02 0.00 0.00 30.24 29.58 2wmh n GLN 166 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wmh h LEU 167 N 0.00 0.42 0.25 1.08 3.38 -1.91 -0.78 115.31 117.75 2wmh h LEU 167 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2wmh h LEU 167 Cb 0.93 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2wmh h LEU 167 CO 0.00 0.44 -0.12 0.00 0.09 0.00 0.00 178.44 178.84 2wmh h ALA 168 N 1.00 -0.34 -0.97 1.53 0.00 -1.81 -1.02 119.26 117.65 2wmh h ALA 168 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wmh h ALA 168 Cb 0.13 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2wmh h ALA 168 CO -0.01 -0.53 0.61 -1.00 0.00 0.00 0.00 179.25 178.32 2wmh h PRO 169 N -0.67 1.30 -0.46 0.00 0.13 -1.77 -0.63 132.00 129.89 2wmh h PRO 169 Ca -0.03 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2wmh h PRO 169 Cb 0.47 -0.28 -0.02 0.00 0.13 0.00 0.00 31.00 31.29 2wmh h PRO 169 CO 0.06 0.89 0.30 0.45 -0.23 0.00 0.00 178.00 179.47 2wmh h HIS 170 N 1.33 0.58 -0.96 1.56 3.86 -1.11 -1.84 115.15 118.56 2wmh h HIS 170 Ca 0.35 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.59 2wmh h HIS 170 Cb -0.10 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.13 2wmh h HIS 170 CO 0.00 0.36 0.64 0.77 0.86 0.00 0.00 177.93 180.56 2wmh h SER 171 N 0.62 1.10 -0.68 2.45 0.02 -0.75 -1.99 113.55 114.32 2wmh h SER 171 Ca 0.17 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2wmh h SER 171 Cb -0.07 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.16 2wmh h SER 171 CO -0.04 0.79 0.41 0.00 -1.14 0.00 0.00 176.83 176.85 2wmh h ALA 172 N 1.36 0.89 -0.51 3.77 0.00 -0.69 0.91 119.26 124.99 2wmh h ALA 172 Ca 0.36 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2wmh h ALA 172 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2wmh h ALA 172 CO -0.08 0.15 -0.02 0.87 0.00 0.00 0.00 179.25 180.17 2wmh h LYS 173 N 0.79 0.92 -0.41 0.00 1.79 -0.85 -1.57 116.57 117.24 2wmh h LYS 173 Ca 0.28 -0.30 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 2wmh h LYS 173 Cb 0.06 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2wmh h LYS 173 CO -0.13 0.95 -0.16 1.88 -1.08 0.00 0.00 179.45 180.92 2wmh h TYR 174 N 0.78 0.85 -0.70 -1.35 0.05 -1.06 -2.41 116.97 113.13 2wmh h TYR 174 Ca 0.14 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 58.79 2wmh h TYR 174 Cb 0.55 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 2wmh h TYR 174 CO 0.04 0.87 0.43 1.25 -1.05 0.00 0.00 178.16 179.70 2wmh h LEU 175 N 0.68 0.69 -0.85 3.88 5.85 -0.47 -0.06 115.31 125.03 2wmh h LEU 175 Ca 0.11 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2wmh h LEU 175 Cb 0.65 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2wmh h LEU 175 CO 0.05 0.47 0.56 -0.08 -0.34 0.00 0.00 178.44 179.10 2wmh h GLU 176 N 0.83 1.08 -0.43 1.25 4.81 -1.02 0.16 114.58 121.26 2wmh h GLU 176 Ca 0.29 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2wmh h GLU 176 Cb 0.06 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2wmh h GLU 176 CO -0.12 0.72 0.22 0.28 -0.73 0.00 0.00 179.01 179.37 2wmh h VAL 177 N 1.11 1.17 -0.49 0.32 2.07 -0.92 -1.63 116.25 117.89 2wmh h VAL 177 Ca 0.33 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2wmh h VAL 177 Cb -0.07 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2wmh h VAL 177 CO -0.09 0.18 0.22 0.00 0.02 0.00 0.00 177.57 177.90 2wmh h ALA 179 N 1.29 1.54 -0.70 0.00 0.00 -0.25 -0.02 119.26 121.12 2wmh h ALA 179 Ca 0.22 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2wmh h ALA 179 Cb 0.17 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2wmh h ALA 179 CO -0.18 0.40 0.46 -0.22 0.00 0.00 0.00 179.25 179.71 2wmh h LYS 180 N 0.90 0.58 -0.26 0.00 3.64 -0.72 -3.07 116.57 117.65 2wmh h LYS 180 Ca 0.27 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2wmh h LYS 180 Cb -0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2wmh h LYS 180 CO -0.07 0.39 0.00 0.66 -2.27 0.00 0.00 179.45 178.16 2wmh n TYR 181 N -4.49 0.41 -1.91 1.91 4.01 -0.78 -4.92 117.16 111.40 2wmh n TYR 181 Ca 0.11 -0.56 -0.13 0.00 -0.16 0.00 0.00 57.90 57.16 2wmh n TYR 181 Cb 0.33 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 2wmh n TYR 181 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wmh n GLY 182 N 0.13 0.46 4.02 2.72 0.00 -0.82 -4.61 105.19 107.09 2wmh n GLY 182 Ca 0.11 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 2wmh n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmh s ALA 183 N -2.60 4.49 -0.03 4.61 0.00 -0.09 -0.03 121.76 128.11 2wmh s ALA 183 Ca 0.00 -1.83 0.05 0.00 0.00 0.00 0.00 51.96 50.18 2wmh s ALA 183 Cb 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2wmh s ALA 183 CO 0.00 -0.62 -0.18 -1.01 0.00 0.00 0.00 175.76 173.95 2wmh s HIS 184 N -2.56 2.59 -0.27 0.00 3.76 -0.60 -4.42 115.29 113.78 2wmh s HIS 184 Ca 0.59 -0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 55.16 2wmh s HIS 184 Cb -0.08 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 2wmh s HIS 184 CO 0.37 0.13 0.12 0.12 -0.85 0.00 0.00 174.74 174.63 2wmh s PHE 185 N -0.71 3.14 -0.24 1.40 5.36 0.43 -1.82 117.98 125.55 2wmh s PHE 185 Ca 0.11 -0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 55.75 2wmh s PHE 185 Cb -0.10 -2.31 0.01 0.00 -0.34 0.00 0.00 43.02 40.28 2wmh s PHE 185 CO 0.00 -0.33 -0.06 0.42 -1.46 0.00 0.00 175.22 173.80 2wmh s ILE 186 N 1.65 3.05 -0.32 3.12 1.01 -0.21 -1.05 121.20 128.46 2wmh s ILE 186 Ca 0.06 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 2wmh s ILE 186 Cb -0.16 -2.48 0.04 0.00 0.01 0.00 0.00 42.46 39.87 2wmh s ILE 186 CO 0.06 0.29 0.05 0.86 0.00 0.00 0.00 174.94 176.20 2wmh s TRP 187 N 1.38 3.25 -0.26 3.97 -0.11 -0.32 -1.07 118.94 125.79 2wmh s TRP 187 Ca 0.03 -1.63 -0.15 0.00 1.22 0.00 0.00 56.10 55.56 2wmh s TRP 187 Cb -0.16 -2.19 -0.04 0.00 -1.50 0.00 0.00 33.47 29.59 2wmh s TRP 187 CO -0.04 -0.76 0.39 -1.01 -4.62 0.00 0.00 176.95 170.90 2wmh s HIS 188 N 1.33 3.26 0.30 5.86 3.76 0.16 -0.85 115.29 129.11 2wmh s HIS 188 Ca -0.03 0.45 -0.19 0.00 -0.15 0.00 0.00 55.06 55.14 2wmh s HIS 188 Cb -0.19 -2.58 0.06 0.00 1.11 0.00 0.00 32.58 30.98 2wmh s HIS 188 CO 0.01 -0.21 0.88 -0.51 -0.85 0.00 0.00 174.74 174.06 2wmh s ASP 189 N 1.56 -0.02 0.13 1.40 1.01 -0.21 -1.20 116.67 119.33 2wmh s ASP 189 Ca 0.16 -0.92 -0.14 0.00 0.71 0.00 0.00 52.55 52.37 2wmh s ASP 189 Cb -0.16 0.71 0.02 0.00 1.01 0.00 0.00 42.92 44.50 2wmh s ASP 189 CO 0.10 -1.40 0.35 -2.28 0.21 0.00 0.00 175.17 172.14 2wmh s HIS 190 N -2.42 -0.03 0.00 4.23 2.46 -1.26 -2.15 115.29 116.12 2wmh s HIS 190 Ca 0.17 -0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.38 2wmh s HIS 190 Cb -0.04 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.57 2wmh s HIS 190 CO 0.09 -0.69 0.00 0.39 -2.47 0.00 0.00 174.74 172.05 2wmh n GLU 191 N -0.20 0.00 -0.02 2.88 1.02 -1.26 -4.56 120.64 118.50 2wmh n GLU 191 Ca -0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.87 2wmh n GLU 191 Cb 0.63 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.95 2wmh n GLU 191 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wmh h LYS 192 N 0.00 -0.00 -0.73 3.49 1.57 -1.90 -2.41 116.57 116.59 2wmh h LYS 192 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2wmh h LYS 192 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2wmh h LYS 192 CO 0.00 0.54 0.48 0.11 -0.57 0.00 0.00 179.45 180.01 2wmh h TRP 193 N -0.55 0.73 0.18 -1.35 5.08 -1.91 -0.73 115.95 117.40 2wmh h TRP 193 Ca -0.00 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 2wmh h TRP 193 Cb 0.55 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 2wmh h TRP 193 CO 0.12 0.37 -0.09 0.35 -1.28 0.00 0.00 178.44 177.91 2wmh h PHE 194 N 0.71 -0.22 -0.28 0.12 3.57 -1.77 -1.24 116.94 117.84 2wmh h PHE 194 Ca 0.33 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 2wmh h PHE 194 Cb 0.35 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2wmh h PHE 194 CO -0.00 0.18 -0.03 -1.49 -2.23 0.00 0.00 178.31 174.74 2wmh h TRP 195 N -0.72 0.44 -0.98 0.41 4.06 -1.29 -0.40 115.95 117.46 2wmh h TRP 195 Ca -0.02 -0.04 0.01 0.00 2.06 0.00 0.00 58.89 60.90 2wmh h TRP 195 Cb 0.50 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 28.49 2wmh h TRP 195 CO 0.06 0.47 0.65 0.93 -3.56 0.00 0.00 178.44 176.99 2wmh h GLU 196 N 0.41 1.29 -0.22 0.49 5.08 -1.07 -2.75 114.58 117.81 2wmh h GLU 196 Ca 0.09 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 2wmh h GLU 196 Cb 0.33 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2wmh h GLU 196 CO 0.01 0.85 -0.37 1.15 -1.00 0.00 0.00 179.01 179.65 2wmh h THR 197 N 1.32 1.32 -0.22 1.13 2.02 -0.23 -2.52 112.91 115.74 2wmh h THR 197 Ca 0.36 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 66.00 2wmh h THR 197 Cb -0.14 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 2wmh h THR 197 CO -0.08 0.49 0.00 0.40 0.37 0.00 0.00 175.52 176.70 2wmh h ILE 198 N 0.35 0.85 -0.00 3.11 1.08 -1.01 -2.74 117.51 119.15 2wmh h ILE 198 Ca 0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2wmh h ILE 198 Cb 0.96 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2wmh h ILE 198 CO 0.08 0.01 -0.08 0.80 -0.69 0.00 0.00 178.15 178.28 2wmh n MET 199 N -5.14 0.14 0.19 2.37 1.56 -1.05 -2.19 117.12 113.00 2wmh n MET 199 Ca -0.02 -0.02 0.13 0.00 -0.27 0.00 0.00 57.70 57.52 2wmh n MET 199 Cb 0.11 -1.50 0.31 0.00 2.15 0.00 0.00 33.22 34.29 2wmh n MET 199 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 175.97 174.33 2wmh h ASN 200 N 0.05 0.00 -2.53 6.12 -0.26 -1.14 -3.41 115.58 114.42 2wmh h ASN 200 Ca 0.00 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.20 2wmh h ASN 200 Cb 0.45 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.72 2wmh h ASN 200 CO 0.00 0.00 1.13 -0.62 -1.06 0.00 0.00 177.43 176.88 2wmh s ASP 201 N -5.59 6.55 0.26 5.81 2.15 -0.93 -4.91 116.67 120.01 2wmh s ASP 201 Ca 0.07 2.50 -0.04 0.00 0.43 0.00 0.00 52.55 55.52 2wmh s ASP 201 Cb 0.08 -2.54 0.32 0.00 -0.30 0.00 0.00 42.92 40.48 2wmh s ASP 201 CO 0.62 -0.97 1.86 1.55 -0.17 0.00 0.00 175.17 178.06 2wmh h PRO 202 N 9.61 1.06 -0.28 4.34 0.13 -1.89 -0.40 132.00 144.58 2wmh h PRO 202 Ca -0.44 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 2wmh h PRO 202 Cb 1.21 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2wmh h PRO 202 CO 0.94 0.82 0.09 1.15 -0.23 0.00 0.00 178.00 180.78 2wmh h THR 203 N 1.05 1.19 -0.06 1.56 2.02 -1.95 -1.43 112.91 115.28 2wmh h THR 203 Ca 0.25 -0.61 -0.21 0.00 0.77 0.00 0.00 66.41 66.62 2wmh h THR 203 Cb 0.12 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2wmh h THR 203 CO -0.03 0.20 -0.83 0.15 0.37 0.00 0.00 175.52 175.38 2wmh h PHE 204 N 0.29 0.70 -0.64 3.16 3.57 -1.75 -1.62 116.94 120.64 2wmh h PHE 204 Ca 0.09 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2wmh h PHE 204 Cb 0.22 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2wmh h PHE 204 CO 0.00 1.13 0.41 0.35 -2.23 0.00 0.00 178.31 177.97 2wmh h PHE 205 N 0.32 0.82 -0.30 0.41 3.57 -1.05 0.88 116.94 121.59 2wmh h PHE 205 Ca -0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2wmh h PHE 205 Cb 1.44 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2wmh h PHE 205 CO 0.06 0.54 0.10 1.49 -2.23 0.00 0.00 178.31 178.27 2wmh h GLU 206 N 0.87 0.46 -0.54 1.11 4.57 -1.18 -2.22 114.58 117.65 2wmh h GLU 206 Ca 0.23 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 2wmh h GLU 206 Cb -0.07 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2wmh h GLU 206 CO -0.05 0.50 0.13 0.00 -1.18 0.00 0.00 179.01 178.41 2wmh h ALA 207 N 0.94 1.22 -0.36 2.92 0.00 -1.03 -1.92 119.26 121.02 2wmh h ALA 207 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2wmh h ALA 207 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wmh h ALA 207 CO -0.00 0.54 0.09 0.77 0.00 0.00 0.00 179.25 180.65 2wmh h SER 208 N 0.80 0.54 -0.76 0.00 0.02 -0.66 0.34 113.55 113.82 2wmh h SER 208 Ca 0.18 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2wmh h SER 208 Cb 0.29 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 2wmh h SER 208 CO -0.00 0.62 0.50 1.56 -1.14 0.00 0.00 176.83 178.37 2wmh h GLN 209 N 0.43 0.93 0.10 3.45 4.20 -1.12 -0.88 115.11 122.22 2wmh h GLN 209 Ca 0.11 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 2wmh h GLN 209 Cb 0.29 -0.21 0.02 0.00 0.30 0.00 0.00 27.48 27.88 2wmh h GLN 209 CO 0.00 0.62 -0.75 0.87 -0.67 0.00 0.00 178.83 178.90 2wmh h LYS 210 N 0.96 0.33 -0.14 1.46 1.57 -1.04 -3.40 116.57 116.31 2wmh h LYS 210 Ca 0.30 -0.49 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 2wmh h LYS 210 Cb 0.00 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2wmh h LYS 210 CO -0.08 1.20 -0.24 0.66 -0.57 0.00 0.00 179.45 180.42 2wmh n TYR 211 N -4.16 0.45 -0.31 -1.35 4.01 0.12 -4.74 117.16 111.18 2wmh n TYR 211 Ca -0.13 -1.41 0.22 0.00 -0.16 0.00 0.00 57.90 56.42 2wmh n TYR 211 Cb 0.78 -0.32 0.51 0.00 -0.31 0.00 0.00 39.34 39.99 2wmh n TYR 211 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 2wmh h HIS 212 N 0.91 0.62 -0.81 -0.72 2.07 -1.33 0.16 115.15 116.05 2wmh h HIS 212 Ca 0.08 0.02 0.12 0.00 -2.85 0.00 0.00 60.37 57.74 2wmh h HIS 212 Cb 1.26 -0.18 -0.06 0.00 2.57 0.00 0.00 27.41 31.00 2wmh h HIS 212 CO 0.72 0.09 0.53 -0.22 -3.07 0.00 0.00 177.93 175.98 2wmh h LYS 213 N 0.40 0.64 -0.06 5.12 3.11 -1.87 0.23 116.57 124.14 2wmh h LYS 213 Ca 0.56 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.36 2wmh h LYS 213 Cb 1.43 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 2wmh h LYS 213 CO -0.26 0.42 0.00 0.09 -2.81 0.00 0.00 179.45 176.89 2wmh n ASN 214 N -4.52 2.89 -4.64 4.20 3.02 0.03 -4.70 115.26 111.53 2wmh n ASN 214 Ca 0.15 -1.95 -0.35 0.00 -0.03 0.00 0.00 54.58 52.40 2wmh n ASN 214 Cb 0.41 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.46 2wmh n ASN 214 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wmh s LEU 215 N -1.96 3.73 -0.17 3.41 2.96 -0.96 -0.43 118.68 125.26 2wmh s LEU 215 Ca 0.30 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 2wmh s LEU 215 Cb 0.20 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.99 2wmh s LEU 215 CO 0.30 0.23 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.71 2wmh s VAL 216 N -0.00 2.38 -0.10 1.68 1.01 -0.21 -2.98 120.40 122.17 2wmh s VAL 216 Ca 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2wmh s VAL 216 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2wmh s VAL 216 CO 0.01 0.52 0.01 -0.76 0.00 0.00 0.00 175.10 174.88 2wmh s LEU 217 N 1.13 3.60 0.02 3.92 1.43 -1.15 -1.17 118.68 126.46 2wmh s LEU 217 Ca 0.01 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 2wmh s LEU 217 Cb -0.14 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2wmh s LEU 217 CO -0.07 0.34 0.32 0.00 0.23 0.00 0.00 176.35 177.17 2wmh s ALA 218 N -0.63 -0.76 0.79 4.21 0.00 -0.03 -2.11 121.76 123.23 2wmh s ALA 218 Ca 0.10 0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 2wmh s ALA 218 Cb -0.12 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.32 2wmh s ALA 218 CO 0.02 -0.37 1.15 0.95 0.00 0.00 0.00 175.76 177.51 2wmh s THR 219 N -2.16 2.06 -0.40 0.00 -4.23 -0.22 -1.05 115.64 109.65 2wmh s THR 219 Ca -0.08 -0.05 0.07 0.00 -1.18 0.00 0.00 61.69 60.46 2wmh s THR 219 Cb -0.02 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 71.00 2wmh s THR 219 CO -0.01 -0.00 0.64 -0.75 -0.54 0.00 0.00 174.62 173.96 2wmh s LYS 220 N -5.52 0.78 -0.02 3.99 2.20 -0.91 -0.52 119.74 119.74 2wmh s LYS 220 Ca 0.62 -0.18 0.02 0.00 -0.36 0.00 0.00 55.97 56.07 2wmh s LYS 220 Cb -0.11 0.11 0.09 0.00 -1.51 0.00 0.00 37.83 36.41 2wmh s LYS 220 CO 0.48 -1.15 0.82 0.27 -0.36 0.00 0.00 175.35 175.41 2wmh n ASN 221 N 4.49 1.07 -0.26 1.43 0.23 -1.24 -4.35 115.26 116.64 2wmh n ASN 221 Ca 0.10 -2.06 0.02 0.00 -0.53 0.00 0.00 54.58 52.11 2wmh n ASN 221 Cb 0.57 -0.32 0.07 0.00 -2.08 0.00 0.00 39.78 38.02 2wmh n ASN 221 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2wmh n THR 222 N -0.07 -0.33 1.49 5.53 -1.04 -1.26 -2.76 114.28 115.85 2wmh n THR 222 Ca 0.03 1.63 0.02 0.00 -2.04 0.00 0.00 64.05 63.69 2wmh n THR 222 Cb 0.24 -2.22 0.05 0.00 -1.82 0.00 0.00 70.33 66.58 2wmh n THR 222 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wmh n PRO 223 N -5.10 1.31 -3.92 -2.82 -0.04 -1.26 -4.49 135.00 118.68 2wmh n PRO 223 Ca 0.10 -0.41 -0.25 0.00 -0.04 0.00 0.00 63.50 62.89 2wmh n PRO 223 Cb 0.32 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 2wmh n PRO 223 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2wmh n ILE 224 N -0.13 -3.24 -3.69 0.52 -5.35 -1.11 -4.96 119.36 101.41 2wmh n ILE 224 Ca 0.04 -0.48 -0.14 0.00 -0.27 0.00 0.00 62.75 61.89 2wmh n ILE 224 Cb 0.14 -2.82 -0.07 0.00 -1.74 0.00 0.00 39.64 35.15 2wmh n ILE 224 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2wmh s ARG 225 N -6.47 0.82 -1.79 6.28 0.52 -1.25 -4.28 118.95 112.77 2wmh s ARG 225 Ca 0.02 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 2wmh s ARG 225 Cb -0.01 0.37 0.00 0.00 0.52 0.00 0.00 34.95 35.83 2wmh s ARG 225 CO 0.88 -0.25 0.00 -0.25 0.02 0.00 0.00 175.30 175.70 2wmh n ASP 226 N 0.99 -5.83 -0.21 0.23 8.00 -1.13 -4.70 116.55 113.89 2wmh n ASP 226 Ca -0.20 0.02 -0.07 0.00 0.71 0.00 0.00 54.79 55.24 2wmh n ASP 226 Cb 0.57 -4.87 0.03 0.00 -0.02 0.00 0.00 41.12 36.84 2wmh n ASP 226 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2wmh h ASP 227 N 0.00 0.80 -0.03 -2.24 5.19 -1.55 0.74 116.42 119.33 2wmh h ASP 227 Ca -0.49 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 55.76 2wmh h ASP 227 Cb 1.36 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2wmh h ASP 227 CO 0.58 0.72 -0.05 0.00 -3.12 0.00 0.00 179.24 177.37 2wmh h ALA 228 N 1.11 0.04 -0.60 3.45 0.00 -1.88 -2.66 119.26 118.73 2wmh h ALA 228 Ca 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wmh h ALA 228 Cb 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2wmh h ALA 228 CO -0.02 -0.13 0.35 0.78 0.00 0.00 0.00 179.25 180.23 2wmh h GLY 229 N -0.46 0.87 0.91 0.00 0.00 -1.94 -1.21 103.07 101.24 2wmh h GLY 229 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 2wmh h GLY 229 CO 0.01 0.35 -0.06 -0.84 0.00 0.00 0.00 176.54 176.00 2wmh h THR 230 N 0.82 1.28 -0.91 4.70 2.02 -0.86 -0.54 112.91 119.41 2wmh h THR 230 Ca 0.21 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.32 2wmh h THR 230 Cb -0.01 1.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 2wmh h THR 230 CO -0.04 0.35 0.60 0.44 0.37 0.00 0.00 175.52 177.24 2wmh h ASP 231 N 0.40 1.01 -0.36 4.18 3.32 -1.08 -0.61 116.42 123.27 2wmh h ASP 231 Ca 0.08 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2wmh h ASP 231 Cb 0.55 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2wmh h ASP 231 CO 0.03 0.71 -0.05 0.28 -1.72 0.00 0.00 179.24 178.49 2wmh h SER 232 N 1.19 0.67 -0.12 6.45 0.02 -0.99 -2.03 113.55 118.74 2wmh h SER 232 Ca 0.35 -0.34 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 2wmh h SER 232 Cb -0.06 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.30 2wmh h SER 232 CO -0.10 0.85 -0.46 0.40 -1.14 0.00 0.00 176.83 176.39 2wmh h ILE 233 N 0.47 1.36 -0.07 3.27 2.04 -0.85 -0.72 117.51 123.01 2wmh h ILE 233 Ca 0.10 -1.76 -0.02 0.00 1.00 0.00 0.00 64.86 64.18 2wmh h ILE 233 Cb 0.54 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2wmh h ILE 233 CO 0.03 0.53 -0.02 0.58 0.00 0.00 0.00 178.15 179.27 2wmh h VAL 234 N 0.13 1.29 -0.19 1.67 2.07 -1.19 -0.13 116.25 119.91 2wmh h VAL 234 Ca -0.02 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 2wmh h VAL 234 Cb 1.09 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2wmh h VAL 234 CO 0.10 0.26 -0.02 0.77 0.02 0.00 0.00 177.57 178.70 2wmh h SER 235 N -0.19 0.25 -0.31 0.57 4.64 -1.48 -2.12 113.55 114.91 2wmh h SER 235 Ca 0.02 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2wmh h SER 235 Cb 0.42 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2wmh h SER 235 CO 0.01 0.32 0.05 1.23 -0.87 0.00 0.00 176.83 177.57 2wmh h GLY 236 N 0.58 0.64 0.99 -0.77 0.00 -0.69 -1.16 103.07 102.66 2wmh h GLY 236 Ca 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2wmh h GLY 236 CO 0.01 0.34 0.31 0.74 0.00 0.00 0.00 176.54 177.94 2wmh h PHE 237 N 0.58 0.78 -0.10 5.60 0.04 -0.34 0.33 116.94 123.83 2wmh h PHE 237 Ca 0.13 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 2wmh h PHE 237 Cb 0.29 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 2wmh h PHE 237 CO 0.01 0.57 0.05 2.35 -0.60 0.00 0.00 178.31 180.70 2wmh h TRP 238 N 0.77 0.15 0.00 -0.55 7.01 -1.26 -1.65 115.95 120.41 2wmh h TRP 238 Ca 0.20 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 2wmh h TRP 238 Cb 0.05 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.07 2wmh h TRP 238 CO -0.01 0.19 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.71 2wmh h LEU 239 N 0.06 0.00 -0.28 0.65 3.38 -0.95 -2.25 115.31 115.92 2wmh h LEU 239 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wmh h LEU 239 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wmh h LEU 239 CO -0.01 0.04 -0.02 -1.20 0.09 0.00 0.00 178.44 177.34 2wmh n SER 240 N -4.47 0.45 -0.05 -0.43 7.64 0.08 -4.94 113.62 111.90 2wmh n SER 240 Ca -0.03 -0.98 -0.01 0.00 1.01 0.00 0.00 58.87 58.87 2wmh n SER 240 Cb 0.12 -0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2wmh n SER 240 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wmh n GLY 241 N 1.12 0.47 0.12 0.23 0.00 -0.85 -4.94 105.19 101.34 2wmh n GLY 241 Ca 0.20 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.76 2wmh n GLY 241 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wmh h LEU 242 N 0.00 0.00 -7.53 0.99 3.38 -1.52 -3.45 115.31 107.18 2wmh h LEU 242 Ca -0.01 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2wmh h LEU 242 Cb 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.59 2wmh h LEU 242 CO 0.02 0.03 -0.39 0.00 0.09 0.00 0.00 178.44 178.18 2wmh h ASP 244 N 4.98 0.00 -4.65 0.00 5.19 -0.86 -3.39 116.42 117.70 2wmh h ASP 244 Ca -0.28 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.98 2wmh h ASP 244 Cb 1.19 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.48 2wmh h ASP 244 CO 0.37 0.00 -0.49 0.20 -3.12 0.00 0.00 179.24 176.20 2wmh s ASN 245 N -4.99 -0.04 0.30 6.45 0.01 -1.24 -4.97 114.94 110.46 2wmh s ASN 245 Ca 0.09 -0.04 0.04 0.00 -0.71 0.00 0.00 52.86 52.24 2wmh s ASN 245 Cb 0.10 0.25 -0.06 0.00 0.41 0.00 0.00 41.25 41.95 2wmh s ASN 245 CO 0.61 -0.29 0.02 -1.66 -1.51 0.00 0.00 177.10 174.28 2wmh s TRP 246 N -0.97 1.89 0.00 2.20 1.48 -1.26 -2.94 118.94 119.35 2wmh s TRP 246 Ca -0.11 -0.90 0.00 0.00 -1.06 0.00 0.00 56.10 54.04 2wmh s TRP 246 Cb -0.06 -1.18 0.00 0.00 -1.16 0.00 0.00 33.47 31.07 2wmh s TRP 246 CO 0.01 0.06 0.00 0.41 -4.06 0.00 0.00 176.95 173.37 2wmh n GLY 247 N -0.62 1.56 3.24 3.67 0.00 -0.90 -0.83 105.19 111.32 2wmh n GLY 247 Ca -0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2wmh n GLY 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wmh s SER 248 N 2.00 -0.19 -0.34 1.61 1.04 -0.58 -1.06 113.70 116.18 2wmh s SER 248 Ca 0.00 0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 2wmh s SER 248 Cb 0.00 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.47 2wmh s SER 248 CO 0.00 -0.47 0.12 -0.55 0.98 0.00 0.00 173.24 173.32 2wmh s SER 249 N -1.41 5.37 -0.41 7.02 0.15 0.32 -0.43 113.70 124.31 2wmh s SER 249 Ca -0.13 -1.09 -0.23 0.00 0.70 0.00 0.00 55.95 55.20 2wmh s SER 249 Cb -0.05 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.39 2wmh s SER 249 CO 0.03 -0.33 0.80 -0.89 1.20 0.00 0.00 173.24 174.06 2wmh s THR 250 N 1.43 4.67 -0.28 6.45 2.01 0.14 -3.68 115.64 126.38 2wmh s THR 250 Ca -0.01 0.70 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 2wmh s THR 250 Cb -0.19 -4.28 0.04 0.00 0.01 0.00 0.00 72.50 68.07 2wmh s THR 250 CO 0.03 -0.60 -0.01 -0.62 -0.69 0.00 0.00 174.62 172.74 2wmh s ASP 251 N 2.01 4.73 0.24 3.53 2.15 -1.26 -1.94 116.67 126.13 2wmh s ASP 251 Ca 0.32 -1.05 0.24 0.00 0.43 0.00 0.00 52.55 52.48 2wmh s ASP 251 Cb -0.12 -1.72 0.94 0.00 -0.30 0.00 0.00 42.92 41.72 2wmh s ASP 251 CO 0.20 -0.21 1.72 0.35 -0.17 0.00 0.00 175.17 177.06 2wmh n THR 252 N 4.68 0.78 0.30 1.71 -2.24 0.67 -1.72 114.28 118.47 2wmh n THR 252 Ca -0.15 0.14 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 2wmh n THR 252 Cb 0.45 -1.05 0.86 0.00 -2.10 0.00 0.00 70.33 68.49 2wmh n THR 252 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2wmh h TRP 253 N 0.00 0.00 -0.62 4.78 4.06 -1.82 -1.55 115.95 120.79 2wmh h TRP 253 Ca 0.00 0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.07 2wmh h TRP 253 Cb 0.43 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.55 2wmh h TRP 253 CO 0.00 0.00 0.42 1.57 -3.56 0.00 0.00 178.44 176.87 2wmh h LYS 254 N 0.00 0.33 -0.75 0.49 2.10 -1.56 -1.04 116.57 116.14 2wmh h LYS 254 Ca 0.00 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 2wmh h LYS 254 Cb 0.39 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.61 2wmh h LYS 254 CO 0.00 0.22 0.25 2.35 -2.00 0.00 0.00 179.45 180.27 2wmh h TRP 255 N 0.34 1.19 -0.33 0.07 2.91 -1.53 -1.15 115.95 117.46 2wmh h TRP 255 Ca 0.29 -0.11 -0.05 0.00 1.13 0.00 0.00 58.89 60.15 2wmh h TRP 255 Cb 0.68 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 2wmh h TRP 255 CO -0.00 0.93 -0.00 2.35 -1.03 0.00 0.00 178.44 180.68 2wmh h TRP 256 N 1.11 0.63 -0.53 2.65 7.01 -1.47 -1.24 115.95 124.11 2wmh h TRP 256 Ca 0.25 -0.11 0.06 0.00 2.11 0.00 0.00 58.89 61.19 2wmh h TRP 256 Cb 0.28 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 2wmh h TRP 256 CO 0.02 0.70 0.36 0.93 -2.79 0.00 0.00 178.44 177.66 2wmh h GLU 257 N 0.38 0.48 -0.00 2.65 4.39 -0.74 -0.62 114.58 121.12 2wmh h GLU 257 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2wmh h GLU 257 Cb 0.45 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2wmh h GLU 257 CO 0.02 0.32 -0.06 1.63 -1.16 0.00 0.00 179.01 179.75 2wmh n LYS 258 N -4.47 0.34 -1.84 2.33 4.76 -0.48 -4.91 118.16 113.88 2wmh n LYS 258 Ca 0.07 -0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.34 2wmh n LYS 258 Cb 0.23 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 2wmh n LYS 258 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wmh n HIS 259 N -1.28 -0.32 -2.59 2.13 8.25 -0.24 -5.02 115.22 116.15 2wmh n HIS 259 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.27 2wmh n HIS 259 Cb 0.28 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 28.88 2wmh n HIS 259 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2wmh s TYR 260 N -2.53 3.47 0.00 4.41 2.02 -0.48 -4.60 117.35 119.64 2wmh s TYR 260 Ca 0.00 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 2wmh s TYR 260 Cb 0.00 -2.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.94 2wmh s TYR 260 CO 0.00 -0.26 0.00 0.25 -1.57 0.00 0.00 175.55 173.97 2wmh n THR 261 N -1.52 0.00 -1.48 -0.71 -2.24 -1.26 -4.52 114.28 102.55 2wmh n THR 261 Ca 0.04 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 2wmh n THR 261 Cb 0.54 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.86 2wmh n THR 261 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wmh s ASN 262 N 1.00 4.17 0.08 3.42 2.47 -1.26 -4.84 114.94 119.98 2wmh s ASN 262 Ca 0.00 2.53 -0.35 0.00 0.42 0.00 0.00 52.86 55.46 2wmh s ASN 262 Cb 0.00 -2.61 -0.15 0.00 -1.45 0.00 0.00 41.25 37.05 2wmh s ASN 262 CO 0.00 -2.29 1.55 0.41 -3.72 0.00 0.00 177.10 173.06 2wmh n THR 263 N -2.47 0.09 -0.50 -5.21 -1.04 -1.26 -1.06 114.28 102.82 2wmh n THR 263 Ca 0.15 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2wmh n THR 263 Cb 0.49 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 2wmh n THR 263 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2wmh n PHE 264 N 3.66 0.00 -2.47 -1.42 3.72 -1.26 -5.00 117.46 114.68 2wmh n PHE 264 Ca 0.19 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.19 2wmh n PHE 264 Cb 0.25 -0.74 -0.04 0.00 -0.94 0.00 0.00 39.48 38.01 2wmh n PHE 264 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2wmh s GLU 265 N -0.38 4.52 0.20 -1.08 2.12 -0.23 -4.99 118.70 118.87 2wmh s GLU 265 Ca 0.00 1.76 0.09 0.00 0.36 0.00 0.00 54.97 57.18 2wmh s GLU 265 Cb 0.00 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2wmh s GLU 265 CO 0.00 0.12 -0.19 0.95 -0.54 0.00 0.00 175.26 175.60 2wmh s THR 266 N -1.26 2.00 0.00 -1.70 -4.23 -1.26 -4.51 115.64 104.69 2wmh s THR 266 Ca 0.47 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2wmh s THR 266 Cb -0.30 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2wmh s THR 266 CO 0.39 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2wmh n GLY 267 N -0.00 0.69 3.76 3.99 0.00 -1.26 -5.03 105.19 107.33 2wmh n GLY 267 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2wmh n GLY 267 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wmh s ARG 268 N -0.23 3.20 0.23 1.61 3.52 -1.26 -5.08 118.95 120.95 2wmh s ARG 268 Ca 0.00 -0.29 -0.31 0.00 -0.13 0.00 0.00 55.73 55.00 2wmh s ARG 268 Cb 0.00 -2.97 -0.11 0.00 -1.56 0.00 0.00 34.95 30.32 2wmh s ARG 268 CO 0.00 0.72 1.54 0.00 -0.81 0.00 0.00 175.30 176.75 2wmh s ALA 269 N -0.89 3.73 0.76 6.12 0.00 -1.26 -4.84 121.76 125.38 2wmh s ALA 269 Ca 0.14 1.43 -0.13 0.00 0.00 0.00 0.00 51.96 53.39 2wmh s ALA 269 Cb -0.12 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.45 2wmh s ALA 269 CO 0.03 -0.83 1.16 -0.98 0.00 0.00 0.00 175.76 175.13 2wmh s ARG 270 N 0.18 2.08 0.04 0.00 1.70 -1.26 -4.99 118.95 116.69 2wmh s ARG 270 Ca 0.65 1.55 -0.02 0.00 -0.47 0.00 0.00 55.73 57.45 2wmh s ARG 270 Cb -0.45 -1.85 0.01 0.00 -0.57 0.00 0.00 34.95 32.09 2wmh s ARG 270 CO 0.40 -1.84 0.08 -0.40 -1.08 0.00 0.00 175.30 172.46 2wmh n ASP 271 N -3.07 -0.22 0.18 -2.89 5.68 -1.26 -4.91 116.55 110.06 2wmh n ASP 271 Ca 0.12 -1.15 0.16 0.00 -0.50 0.00 0.00 54.79 53.41 2wmh n ASP 271 Cb 0.51 0.37 0.77 0.00 -1.14 0.00 0.00 41.12 41.63 2wmh n ASP 271 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2wmh h MET 272 N 0.00 0.00 -0.06 0.11 2.86 -0.74 0.58 114.93 117.68 2wmh h MET 272 Ca -0.03 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2wmh h MET 272 Cb 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2wmh h MET 272 CO 0.04 0.00 0.11 0.00 1.06 0.00 0.00 176.91 178.12 2wmh h ARG 273 N 0.00 0.00 -0.47 1.72 3.08 -1.96 -0.93 114.38 115.82 2wmh h ARG 273 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2wmh h ARG 273 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2wmh h ARG 273 CO -0.00 0.00 0.24 0.77 -1.07 0.00 0.00 179.97 179.91 2wmh h SER 274 N 0.00 0.58 0.62 7.04 0.02 -1.15 -1.50 113.55 119.16 2wmh h SER 274 Ca 0.03 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2wmh h SER 274 Cb 0.25 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2wmh h SER 274 CO -0.00 0.48 0.00 0.00 -1.14 0.00 0.00 176.83 176.17 2wmh n TYR 275 N -4.40 0.00 -0.84 3.45 0.18 -0.35 -2.34 117.16 112.85 2wmh n TYR 275 Ca 0.04 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.90 2wmh n TYR 275 Cb 0.11 -0.48 0.33 0.00 -0.38 0.00 0.00 39.34 38.92 2wmh n TYR 275 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2wmh n ALA 276 N -1.48 3.30 -0.03 -3.48 0.00 -0.58 -4.56 120.51 113.69 2wmh n ALA 276 Ca 0.05 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.53 2wmh n ALA 276 Cb 0.21 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2wmh n ALA 276 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wmh n SER 277 N 0.28 0.45 -4.70 0.00 7.64 -0.99 -4.99 113.62 111.32 2wmh n SER 277 Ca 0.24 -0.73 -0.42 0.00 1.01 0.00 0.00 58.87 58.97 2wmh n SER 277 Cb 0.98 0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 64.63 2wmh n SER 277 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2wmh s GLU 278 N -0.48 4.26 0.24 1.43 2.12 -1.26 -4.70 118.70 120.31 2wmh s GLU 278 Ca 0.00 2.16 -0.31 0.00 0.36 0.00 0.00 54.97 57.18 2wmh s GLU 278 Cb 0.00 -3.44 -0.14 0.00 0.26 0.00 0.00 34.13 30.81 2wmh s GLU 278 CO 0.00 -0.59 1.23 -2.30 -0.54 0.00 0.00 175.26 173.06 2wmh n PRO 279 N 4.88 1.60 -0.12 4.30 -0.02 -1.26 -4.86 135.00 139.51 2wmh n PRO 279 Ca 0.14 0.57 -0.06 0.00 -2.02 0.00 0.00 63.50 62.13 2wmh n PRO 279 Cb 0.42 -2.10 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 2wmh n PRO 279 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wmh h GLU 280 N 3.31 0.33 0.00 -0.52 3.07 -1.91 -0.69 114.58 118.16 2wmh h GLU 280 Ca -0.43 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.38 2wmh h GLU 280 Cb 1.31 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2wmh h GLU 280 CO 0.69 0.22 -0.15 0.66 -1.40 0.00 0.00 179.01 179.03 2wmh h SER 281 N 0.34 0.00 0.30 1.42 4.64 -1.53 -2.24 113.55 116.48 2wmh h SER 281 Ca 0.18 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.39 2wmh h SER 281 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2wmh h SER 281 CO -0.17 0.15 -0.46 -0.03 -0.87 0.00 0.00 176.83 175.46 2wmh h MET 282 N 0.00 0.20 -0.50 4.77 -1.53 -1.42 -0.03 114.93 116.41 2wmh h MET 282 Ca -0.00 -0.10 0.07 0.00 -3.44 0.00 0.00 59.70 56.22 2wmh h MET 282 Cb 0.32 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.32 2wmh h MET 282 CO 0.02 0.63 0.19 0.82 0.14 0.00 0.00 176.91 178.70 2wmh h ILE 283 N 0.16 0.84 -0.38 1.77 2.04 -0.98 -0.74 117.51 120.23 2wmh h ILE 283 Ca 0.01 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 2wmh h ILE 283 Cb 0.88 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2wmh h ILE 283 CO 0.07 0.07 -0.06 0.00 0.00 0.00 0.00 178.15 178.22 2wmh h ALA 284 N 1.33 1.18 -0.63 1.87 0.00 -1.35 -1.60 119.26 120.06 2wmh h ALA 284 Ca 0.24 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2wmh h ALA 284 Cb 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2wmh h ALA 284 CO -0.24 0.53 0.14 0.52 0.00 0.00 0.00 179.25 180.20 2wmh h MET 285 N 0.59 1.00 -0.55 0.00 2.86 -0.31 0.17 114.93 118.68 2wmh h MET 285 Ca 0.11 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2wmh h MET 285 Cb 0.47 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2wmh h MET 285 CO 0.02 0.89 0.36 0.93 1.06 0.00 0.00 176.91 180.17 2wmh h GLU 286 N 0.95 0.70 -0.99 1.72 5.08 -0.67 -1.87 114.58 119.48 2wmh h GLU 286 Ca 0.20 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2wmh h GLU 286 Cb 0.35 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 2wmh h GLU 286 CO 0.00 0.46 0.66 0.52 -1.00 0.00 0.00 179.01 179.65 2wmh h MET 287 N 0.72 1.30 -0.90 2.33 2.86 -0.79 -2.66 114.93 117.79 2wmh h MET 287 Ca 0.21 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2wmh h MET 287 Cb -0.05 -0.29 -0.05 0.00 0.06 0.00 0.00 31.60 31.27 2wmh h MET 287 CO -0.06 0.86 0.59 1.98 1.06 0.00 0.00 176.91 181.34 2wmh h MET 288 N 1.34 1.15 -0.74 1.72 1.85 0.05 0.18 114.93 120.48 2wmh h MET 288 Ca 0.37 -0.07 0.07 0.00 -0.61 0.00 0.00 59.70 59.46 2wmh h MET 288 Cb -0.14 -0.26 -0.05 0.00 0.43 0.00 0.00 31.60 31.58 2wmh h MET 288 CO -0.08 0.76 0.49 -0.91 -0.40 0.00 0.00 176.91 176.77 2wmh h ASN 289 N 1.19 0.67 0.12 1.39 2.35 -1.00 -0.21 115.58 120.08 2wmh h ASN 289 Ca 0.34 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 2wmh h ASN 289 Cb -0.09 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2wmh h ASN 289 CO -0.08 0.43 -0.06 0.58 -1.65 0.00 0.00 177.43 176.65 2wmh h VAL 290 N 0.76 0.81 -0.32 2.81 2.07 -1.24 -3.15 116.25 117.99 2wmh h VAL 290 Ca 0.32 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.62 2wmh h VAL 290 Cb 0.29 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 2wmh h VAL 290 CO -0.11 0.23 -0.41 0.22 0.02 0.00 0.00 177.57 177.52 2wmh h TYR 291 N -0.93 -1.19 0.00 1.57 3.20 -0.90 0.50 116.97 119.23 2wmh h TYR 291 Ca -0.02 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2wmh h TYR 291 Cb 0.51 0.57 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2wmh h TYR 291 CO 0.10 -0.44 0.00 1.79 -1.64 0.00 0.00 178.16 177.97 2wmh h THR 292 N -0.36 0.00 -0.42 1.81 1.35 -1.18 -1.34 112.91 112.76 2wmh h THR 292 Ca 0.12 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2wmh h THR 292 Cb 0.59 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2wmh h THR 292 CO -0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.36 2wmh n GLY 293 N -0.37 1.05 1.29 5.82 0.00 -0.30 -4.80 105.19 107.89 2wmh n GLY 293 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2wmh n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmh n GLY 294 N 1.22 0.75 3.80 -0.02 0.00 -0.51 -5.00 105.19 105.43 2wmh n GLY 294 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2wmh n GLY 294 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wmh s GLY 295 N -1.72 2.01 0.00 -0.02 0.00 0.01 -4.76 107.32 102.84 2wmh s GLY 295 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2wmh s GLY 295 CO 0.00 0.69 0.05 -1.30 0.00 0.00 0.00 173.10 172.54 2wmh n THR 296 N -2.44 0.00 -4.47 0.90 -2.24 -0.01 -4.30 114.28 101.72 2wmh n THR 296 Ca 0.09 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.61 2wmh n THR 296 Cb 0.53 1.73 -0.17 0.00 -2.10 0.00 0.00 70.33 70.32 2wmh n THR 296 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wmh s VAL 297 N 0.00 1.18 -0.11 2.28 1.01 -1.12 -0.79 120.40 122.86 2wmh s VAL 297 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2wmh s VAL 297 Cb 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2wmh s VAL 297 CO 0.00 0.37 -0.14 -0.31 0.00 0.00 0.00 175.10 175.02 2wmh s TYR 298 N 0.87 1.86 0.17 5.22 2.02 -0.29 -1.53 117.35 125.66 2wmh s TYR 298 Ca -0.11 -0.87 0.03 0.00 -0.37 0.00 0.00 57.07 55.75 2wmh s TYR 298 Cb -0.15 -1.37 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 2wmh s TYR 298 CO 0.01 -0.47 -0.03 1.21 -1.57 0.00 0.00 175.55 174.70 2wmh s ASN 299 N 1.08 1.49 -0.04 2.29 3.84 0.43 -0.64 114.94 123.40 2wmh s ASN 299 Ca -0.05 -1.13 -0.13 0.00 0.21 0.00 0.00 52.86 51.76 2wmh s ASN 299 Cb -0.15 0.06 0.02 0.00 -0.55 0.00 0.00 41.25 40.64 2wmh s ASN 299 CO -0.02 -0.49 0.29 -0.36 -2.79 0.00 0.00 177.10 173.73 2wmh s PHE 300 N -3.52 -0.19 0.05 0.43 0.08 -1.26 -0.68 117.98 112.89 2wmh s PHE 300 Ca 0.22 0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.61 2wmh s PHE 300 Cb 0.05 0.08 -0.04 0.00 -0.57 0.00 0.00 43.02 42.55 2wmh s PHE 300 CO 0.03 -0.32 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.61 2wmh s GLU 301 N -0.97 0.61 -0.07 0.44 2.02 -0.82 -4.61 118.70 115.31 2wmh s GLU 301 Ca -0.10 -1.16 -0.23 0.00 0.02 0.00 0.00 54.97 53.49 2wmh s GLU 301 Cb -0.05 0.22 -0.04 0.00 0.10 0.00 0.00 34.13 34.36 2wmh s GLU 301 CO 0.03 -0.12 0.69 0.00 0.02 0.00 0.00 175.26 175.88 2wmh h ALA 303 N 6.76 1.38 0.00 0.00 0.00 -1.93 0.18 119.26 125.65 2wmh h ALA 303 Ca -0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2wmh h ALA 303 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wmh h ALA 303 CO 0.75 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.99 2wmh h ALA 304 N 1.94 1.55 0.00 0.00 0.00 -1.96 -0.08 119.26 120.71 2wmh h ALA 304 Ca -0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.47 2wmh h ALA 304 Cb 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2wmh h ALA 304 CO 0.01 0.11 -1.93 0.98 0.00 0.00 0.00 179.25 178.42 2wmh n TYR 305 N -4.00 0.50 0.66 0.00 9.36 0.51 -4.52 117.16 119.68 2wmh n TYR 305 Ca -0.02 0.22 0.13 0.00 3.32 0.00 0.00 57.90 61.54 2wmh n TYR 305 Cb 0.18 -1.05 0.33 0.00 -0.63 0.00 0.00 39.34 38.17 2wmh n TYR 305 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2wmh n THR 306 N -4.33 0.43 0.00 2.97 -2.24 -0.46 -4.37 114.28 106.29 2wmh n THR 306 Ca -0.44 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2wmh n THR 306 Cb 0.79 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2wmh n THR 306 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2wmh n PHE 307 N -2.11 0.00 -3.60 4.78 7.35 -0.14 -3.64 117.46 120.10 2wmh n PHE 307 Ca 0.05 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.64 2wmh n PHE 307 Cb 0.42 0.11 -0.06 0.00 0.35 0.00 0.00 39.48 40.31 2wmh n PHE 307 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 2wmh s MET 308 N -0.54 0.56 0.01 -4.13 0.00 -0.60 -1.58 119.30 113.02 2wmh s MET 308 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 55.69 56.06 2wmh s MET 308 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 34.83 35.09 2wmh s MET 308 CO 0.00 -0.13 -0.09 0.95 0.00 0.00 0.00 175.02 175.74 2wmh s THR 309 N -0.52 0.72 -1.52 10.11 -4.23 -1.09 -4.33 115.64 114.78 2wmh s THR 309 Ca 0.00 -0.62 -0.14 0.00 -1.18 0.00 0.00 61.69 59.75 2wmh s THR 309 Cb -0.02 -0.65 0.11 0.00 1.34 0.00 0.00 72.50 73.27 2wmh s THR 309 CO -0.02 0.04 0.78 0.59 -0.54 0.00 0.00 174.62 175.47 2wmh n ASN 310 N 2.41 -4.10 -1.02 3.99 3.02 0.87 -0.85 115.26 119.58 2wmh n ASN 310 Ca -0.16 -0.74 -0.13 0.00 -0.03 0.00 0.00 54.58 53.52 2wmh n ASN 310 Cb 0.56 -3.33 -0.06 0.00 -0.61 0.00 0.00 39.78 36.35 2wmh n ASN 310 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wmh n ASP 311 N -2.62 -5.69 -4.34 6.41 8.00 -1.25 -4.92 116.55 112.15 2wmh n ASP 311 Ca 0.04 0.33 -0.41 0.00 0.71 0.00 0.00 54.79 55.46 2wmh n ASP 311 Cb 0.52 -4.36 -0.11 0.00 -0.02 0.00 0.00 41.12 37.15 2wmh n ASP 311 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wmh s VAL 312 N -2.12 4.48 0.47 2.53 1.01 -0.03 -4.96 120.40 121.78 2wmh s VAL 312 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.69 2wmh s VAL 312 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2wmh s VAL 312 CO 0.00 -0.34 1.37 -2.84 0.00 0.00 0.00 175.10 173.29 2wmh s PRO 313 N 1.52 3.59 0.39 2.72 0.02 -1.26 -2.66 135.00 139.32 2wmh s PRO 313 Ca 0.02 2.27 -0.07 0.00 0.02 0.00 0.00 61.00 63.25 2wmh s PRO 313 Cb -0.21 -2.55 -0.05 0.00 0.02 0.00 0.00 34.50 31.71 2wmh s PRO 313 CO 0.05 -0.84 0.70 0.95 -0.33 0.00 0.00 177.00 177.53 2wmh s THR 314 N -1.26 4.90 0.47 0.99 -4.23 -0.62 -4.90 115.64 110.99 2wmh s THR 314 Ca 0.63 0.30 0.15 0.00 -1.18 0.00 0.00 61.69 61.59 2wmh s THR 314 Cb -0.41 -3.77 0.31 0.00 1.34 0.00 0.00 72.50 69.97 2wmh s THR 314 CO 0.51 -0.55 2.05 -0.65 -0.54 0.00 0.00 174.62 175.44 2wmh h PRO 315 N 1.09 0.25 -0.82 3.99 0.11 -1.86 0.86 132.00 135.63 2wmh h PRO 315 Ca -0.47 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.68 2wmh h PRO 315 Cb 1.19 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2wmh h PRO 315 CO 0.64 0.17 0.50 0.00 -0.21 0.00 0.00 178.00 179.10 2wmh h ALA 316 N 1.80 1.11 0.62 -0.75 0.00 -1.90 0.13 119.26 120.27 2wmh h ALA 316 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2wmh h ALA 316 Cb 0.33 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wmh h ALA 316 CO -0.03 0.25 -0.30 0.35 0.00 0.00 0.00 179.25 179.52 2wmh h PHE 317 N 0.93 -0.78 -0.06 0.00 3.57 -1.37 0.81 116.94 120.04 2wmh h PHE 317 Ca 0.35 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.69 2wmh h PHE 317 Cb 0.14 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2wmh h PHE 317 CO -0.04 -0.45 -0.60 1.79 -2.23 0.00 0.00 178.31 176.78 2wmh h THR 318 N -1.16 1.39 -0.00 4.41 1.35 -0.73 0.26 112.91 118.43 2wmh h THR 318 Ca -0.09 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 63.79 2wmh h THR 318 Cb 0.67 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2wmh h THR 318 CO 0.14 0.58 -0.01 0.29 -0.25 0.00 0.00 175.52 176.27 2wmh n LYS 319 N -3.87 0.11 0.00 4.72 5.02 0.43 -4.26 118.16 120.31 2wmh n LYS 319 Ca -0.02 -0.63 -0.01 0.00 -2.02 0.00 0.00 58.31 55.63 2wmh n LYS 319 Cb 0.61 -1.02 -0.00 0.00 -0.02 0.00 0.00 35.03 34.60 2wmh n LYS 319 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wmh n GLY 320 N 0.27 -0.10 0.12 0.72 0.00 -0.62 -4.76 105.19 100.81 2wmh n GLY 320 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2wmh n GLY 320 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wmh h ILE 321 N -0.10 1.03 -0.34 -0.61 2.04 -0.81 -3.24 117.51 115.48 2wmh h ILE 321 Ca 0.00 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 64.89 2wmh h ILE 321 Cb 0.10 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2wmh h ILE 321 CO 0.00 0.22 0.16 0.40 0.00 0.00 0.00 178.15 178.94 2wmh h ILE 322 N -0.68 0.98 -1.00 -0.67 1.08 -1.17 0.02 117.51 116.06 2wmh h ILE 322 Ca -0.02 -0.12 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2wmh h ILE 322 Cb 0.50 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.80 2wmh h ILE 322 CO 0.03 0.06 0.66 -0.65 -0.69 0.00 0.00 178.15 177.56 2wmh h PRO 323 N 0.34 1.28 -0.25 2.37 0.11 -1.74 -0.20 132.00 133.91 2wmh h PRO 323 Ca 0.14 -0.08 -0.19 0.00 0.11 0.00 0.00 66.00 65.99 2wmh h PRO 323 Cb 0.06 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 30.89 2wmh h PRO 323 CO -0.11 0.84 -0.58 0.35 -0.21 0.00 0.00 178.00 178.29 2wmh h PHE 324 N 1.31 1.02 -0.71 0.65 3.57 -1.47 -2.33 116.94 118.97 2wmh h PHE 324 Ca 0.38 -0.38 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2wmh h PHE 324 Cb -0.08 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 2wmh h PHE 324 CO -0.00 1.19 0.38 0.35 -2.23 0.00 0.00 178.31 178.00 2wmh h PHE 325 N 0.60 0.97 -0.82 0.41 3.57 -0.62 -0.85 116.94 120.21 2wmh h PHE 325 Ca 0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2wmh h PHE 325 Cb 1.18 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 2wmh h PHE 325 CO 0.07 0.68 0.40 0.00 -2.23 0.00 0.00 178.31 177.23 2wmh h ARG 326 N 1.00 1.18 -0.57 1.11 3.08 -0.91 -0.61 114.38 118.66 2wmh h ARG 326 Ca 0.25 -0.17 0.07 0.00 0.07 0.00 0.00 59.98 60.21 2wmh h ARG 326 Cb 0.04 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 29.81 2wmh h ARG 326 CO -0.04 0.90 0.24 1.25 -1.07 0.00 0.00 179.97 181.25 2wmh h HIS 327 N 1.16 0.42 0.00 3.04 2.76 -0.76 -0.89 115.15 120.87 2wmh h HIS 327 Ca 0.28 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.42 2wmh h HIS 327 Cb 0.11 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 2wmh h HIS 327 CO 0.01 0.15 -0.29 0.00 -1.30 0.00 0.00 177.93 176.50 2wmh h ALA 328 N 1.36 1.27 -0.08 5.26 0.00 -0.11 0.19 119.26 127.16 2wmh h ALA 328 Ca 0.27 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2wmh h ALA 328 Cb 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2wmh h ALA 328 CO -0.25 0.37 -0.42 0.82 0.00 0.00 0.00 179.25 179.76 2wmh h ILE 329 N 0.00 1.40 0.00 0.00 2.04 -0.73 -3.34 117.51 116.88 2wmh h ILE 329 Ca -0.00 -1.81 -0.10 0.00 1.00 0.00 0.00 64.86 63.95 2wmh h ILE 329 Cb 0.61 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 2wmh h ILE 329 CO 0.04 0.53 -0.49 1.56 0.00 0.00 0.00 178.15 179.79 2wmh h GLN 330 N -0.04 0.00 -3.17 2.37 4.20 -0.88 -3.40 115.11 114.19 2wmh h GLN 330 Ca -0.03 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.08 2wmh h GLN 330 Cb 1.08 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.46 2wmh h GLN 330 CO 0.09 0.49 -0.76 -0.80 -0.67 0.00 0.00 178.83 177.18 2wmh s ASN 331 N -6.46 3.73 0.24 1.46 0.01 0.03 -5.09 114.94 108.86 2wmh s ASN 331 Ca 0.02 -2.18 -0.31 0.00 -0.71 0.00 0.00 52.86 49.68 2wmh s ASN 331 Cb 0.09 -0.90 -0.14 0.00 0.41 0.00 0.00 41.25 40.71 2wmh s ASN 331 CO 0.73 -0.33 1.27 -2.65 -1.51 0.00 0.00 177.10 174.60 2wmh n PRO 332 N 4.12 1.72 -0.61 -0.60 -0.02 -1.26 -4.49 135.00 133.86 2wmh n PRO 332 Ca 0.05 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 2wmh n PRO 332 Cb 0.38 -2.17 0.20 0.00 -0.02 0.00 0.00 33.50 31.88 2wmh n PRO 332 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wmh n ALA 333 N 1.33 -1.63 -1.63 3.55 0.00 -1.22 -4.87 120.51 116.04 2wmh n ALA 333 Ca 0.11 -0.78 -0.49 0.00 0.00 0.00 0.00 53.44 52.28 2wmh n ALA 333 Cb 0.30 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 2wmh n ALA 333 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wmh n PRO 334 N -4.34 1.60 -1.10 0.00 -0.02 -1.26 -4.83 135.00 125.04 2wmh n PRO 334 Ca 0.09 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 2wmh n PRO 334 Cb 0.53 -2.26 0.16 0.00 -0.02 0.00 0.00 33.50 31.90 2wmh n PRO 334 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wmh s SER 335 N 0.63 2.96 0.17 2.55 1.04 -1.26 -4.34 113.70 115.46 2wmh s SER 335 Ca 0.81 1.45 -0.15 0.00 0.48 0.00 0.00 55.95 58.54 2wmh s SER 335 Cb -0.82 -2.13 0.14 0.00 0.10 0.00 0.00 66.02 63.31 2wmh s SER 335 CO 0.43 -2.95 1.71 0.50 0.98 0.00 0.00 173.24 173.91 2wmh h LYS 336 N -1.77 0.15 -0.29 4.02 3.64 -1.92 -0.84 116.57 119.57 2wmh h LYS 336 Ca -0.52 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.80 2wmh h LYS 336 Cb 1.30 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2wmh h LYS 336 CO 0.54 0.10 -0.07 1.05 -2.27 0.00 0.00 179.45 178.80 2wmh h GLU 337 N 0.16 0.46 -0.67 1.90 9.09 -1.99 0.34 114.58 123.87 2wmh h GLU 337 Ca 0.21 -0.11 -0.08 0.00 0.05 0.00 0.00 59.36 59.44 2wmh h GLU 337 Cb 0.29 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 27.31 2wmh h GLU 337 CO -0.32 0.54 0.12 0.93 0.05 0.00 0.00 179.01 180.33 2wmh h GLU 338 N 0.43 1.10 -0.12 1.06 5.08 -1.72 -0.27 114.58 120.14 2wmh h GLU 338 Ca 0.09 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2wmh h GLU 338 Cb 0.39 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2wmh h GLU 338 CO 0.02 1.00 -0.03 0.28 -1.00 0.00 0.00 179.01 179.28 2wmh h VAL 339 N 1.02 1.29 -0.57 3.13 2.07 -0.60 -2.11 116.25 120.49 2wmh h VAL 339 Ca 0.20 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.87 2wmh h VAL 339 Cb 0.42 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.80 2wmh h VAL 339 CO 0.01 0.27 0.13 0.58 0.02 0.00 0.00 177.57 178.58 2wmh h VAL 340 N -0.09 0.68 0.00 2.57 2.07 -0.88 -2.87 116.25 117.72 2wmh h VAL 340 Ca 0.03 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 2wmh h VAL 340 Cb 0.44 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2wmh h VAL 340 CO 0.01 0.05 -0.45 0.78 0.02 0.00 0.00 177.57 177.97 2wmh h ASN 341 N 0.26 0.00 0.66 0.57 2.35 -0.82 -2.49 115.58 116.12 2wmh h ASN 341 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2wmh h ASN 341 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2wmh h ASN 341 CO -0.37 0.45 -0.15 -2.11 -1.65 0.00 0.00 177.43 173.60 2wmh n ARG 342 N -3.59 0.24 -2.84 0.81 1.85 -0.81 -4.85 116.66 107.45 2wmh n ARG 342 Ca -0.00 -0.07 -0.42 0.00 -1.00 0.00 0.00 57.85 56.36 2wmh n ARG 342 Cb 0.55 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.42 2wmh n ARG 342 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2wmh s THR 343 N -2.81 4.71 -0.16 8.89 2.01 -0.94 -4.92 115.64 122.43 2wmh s THR 343 Ca 0.19 1.40 0.21 0.00 0.31 0.00 0.00 61.69 63.79 2wmh s THR 343 Cb 0.19 -4.23 -0.13 0.00 0.01 0.00 0.00 72.50 68.35 2wmh s THR 343 CO 0.55 -0.30 0.80 0.29 -0.69 0.00 0.00 174.62 175.27 2wmh n LYS 344 N 6.38 0.63 -3.78 4.92 4.76 -1.26 -4.35 118.16 125.46 2wmh n LYS 344 Ca 0.06 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 2wmh n LYS 344 Cb 0.48 -1.74 -0.09 0.00 -1.84 0.00 0.00 35.03 31.84 2wmh n LYS 344 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wmh s ALA 345 N -3.22 -0.69 0.16 7.82 0.00 -1.26 -1.05 121.76 123.51 2wmh s ALA 345 Ca -0.03 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.19 2wmh s ALA 345 Cb 0.10 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2wmh s ALA 345 CO 0.82 -0.28 -0.15 0.14 0.00 0.00 0.00 175.76 176.29 2wmh s VAL 346 N -1.55 1.59 -0.25 0.00 -7.23 -0.37 -4.47 120.40 108.12 2wmh s VAL 346 Ca -0.12 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 2wmh s VAL 346 Cb -0.05 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2wmh s VAL 346 CO 0.03 -0.46 0.11 0.12 -0.31 0.00 0.00 175.10 174.59 2wmh s PHE 347 N -2.42 3.15 -0.21 2.82 5.36 -0.44 -0.72 117.98 125.52 2wmh s PHE 347 Ca 0.15 -0.18 -0.09 0.00 -0.96 0.00 0.00 56.93 55.85 2wmh s PHE 347 Cb -0.03 -2.26 -0.05 0.00 -0.34 0.00 0.00 43.02 40.34 2wmh s PHE 347 CO 0.05 -0.23 0.11 -0.46 -1.46 0.00 0.00 175.22 173.23 2wmh s TRP 348 N 1.50 3.31 -2.00 10.12 -0.00 0.54 -0.23 118.94 132.19 2wmh s TRP 348 Ca 0.06 0.17 0.10 0.00 -0.00 0.00 0.00 56.10 56.43 2wmh s TRP 348 Cb -0.15 -2.16 0.58 0.00 -0.00 0.00 0.00 33.47 31.74 2wmh s TRP 348 CO 0.06 0.15 1.04 0.09 -0.00 0.00 0.00 176.95 178.29 2wmh n ASN 349 N 3.79 0.00 0.24 5.86 4.13 -0.23 -4.20 115.26 124.85 2wmh n ASN 349 Ca -0.16 -0.75 0.16 0.00 1.68 0.00 0.00 54.58 55.52 2wmh n ASN 349 Cb 0.52 0.00 0.69 0.00 -1.54 0.00 0.00 39.78 39.45 2wmh n ASN 349 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2wmh h GLY 350 N 2.85 0.00 -3.71 7.41 0.00 -1.86 -3.13 103.07 104.63 2wmh h GLY 350 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 2wmh h GLY 350 CO 0.00 0.00 -0.86 1.18 0.00 0.00 0.00 176.54 176.86 2wmh n GLU 351 N -2.85 2.73 0.00 4.80 1.02 -1.26 -5.04 120.64 120.04 2wmh n GLU 351 Ca 0.01 -3.79 0.00 0.00 -0.02 0.00 0.00 57.16 53.35 2wmh n GLU 351 Cb 0.25 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2wmh n GLU 351 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wmh n GLY 352 N -0.68 3.46 3.83 0.62 0.00 -1.18 -4.26 105.19 106.97 2wmh n GLY 352 Ca 0.30 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 2wmh n GLY 352 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wmh s ARG 353 N -5.13 3.04 0.43 1.61 0.52 -1.26 -4.33 118.95 113.83 2wmh s ARG 353 Ca 0.00 -0.71 0.13 0.00 -0.52 0.00 0.00 55.73 54.63 2wmh s ARG 353 Cb 0.00 -2.77 1.00 0.00 0.52 0.00 0.00 34.95 33.69 2wmh s ARG 353 CO 0.00 0.54 1.98 0.97 0.02 0.00 0.00 175.30 178.81 2wmh h ILE 354 N 2.19 0.92 -0.15 1.52 6.09 -1.93 0.51 117.51 126.66 2wmh h ILE 354 Ca -0.47 -0.15 0.04 0.00 -1.37 0.00 0.00 64.86 62.91 2wmh h ILE 354 Cb 1.18 0.43 -0.01 0.00 0.47 0.00 0.00 36.82 38.90 2wmh h ILE 354 CO 0.67 0.08 0.34 0.77 -3.07 0.00 0.00 178.15 176.94 2wmh h SER 355 N 0.45 0.00 -0.02 2.19 4.64 -1.94 -1.36 113.55 117.50 2wmh h SER 355 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2wmh h SER 355 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2wmh h SER 355 CO -0.08 0.00 -0.00 -1.54 -0.87 0.00 0.00 176.83 174.34 2wmh n SER 356 N -3.24 1.96 -3.73 4.97 3.41 0.17 -4.67 113.62 112.50 2wmh n SER 356 Ca 0.01 -1.65 -0.30 0.00 -0.26 0.00 0.00 58.87 56.67 2wmh n SER 356 Cb 0.44 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 2wmh n SER 356 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wmh n LEU 357 N 0.54 3.84 0.27 1.04 4.77 -0.51 -4.95 117.00 121.99 2wmh n LEU 357 Ca 0.17 -5.31 0.17 0.00 -0.03 0.00 0.00 56.01 51.02 2wmh n LEU 357 Cb 0.43 -0.82 0.74 0.00 -2.33 0.00 0.00 43.42 41.44 2wmh n LEU 357 CO 0.16 1.86 1.00 0.78 -1.33 0.00 0.00 177.39 179.86 2wmh h ASN 358 N 4.94 0.00 -0.64 -1.43 4.21 -1.83 -2.44 115.58 118.39 2wmh h ASN 358 Ca 0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.69 2wmh h ASN 358 Cb 0.71 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 2wmh h ASN 358 CO 0.85 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.60 2wmh n GLY 359 N -0.15 2.55 0.23 2.83 0.00 -1.26 -4.69 105.19 104.69 2wmh n GLY 359 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 2wmh n GLY 359 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wmh h PHE 360 N 4.00 0.41 0.00 1.61 3.57 -1.82 -2.53 116.94 122.17 2wmh h PHE 360 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wmh h PHE 360 Cb 1.33 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2wmh h PHE 360 CO 0.70 0.13 -0.19 0.66 -2.23 0.00 0.00 178.31 177.38 2wmh n TYR 361 N -4.97 0.23 -1.79 0.41 4.01 -1.26 -4.71 117.16 109.08 2wmh n TYR 361 Ca 0.07 0.07 -0.41 0.00 -0.16 0.00 0.00 57.90 57.47 2wmh n TYR 361 Cb 0.23 -0.54 -0.01 0.00 -0.31 0.00 0.00 39.34 38.72 2wmh n TYR 361 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2wmh s GLN 362 N -3.04 4.11 0.00 -0.72 -1.52 -0.96 -1.57 119.66 115.97 2wmh s GLN 362 Ca 0.12 2.58 0.00 0.00 -1.95 0.00 0.00 55.36 56.11 2wmh s GLN 362 Cb 0.17 -2.98 0.00 0.00 -0.22 0.00 0.00 33.01 29.98 2wmh s GLN 362 CO 0.61 -0.57 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 2wmh n GLY 363 N 0.94 2.38 0.14 3.09 0.00 -1.26 -4.77 105.19 105.71 2wmh n GLY 363 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wmh n GLY 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wmh n LEU 364 N 0.00 0.00 0.00 0.99 4.77 -0.75 -4.94 117.00 117.07 2wmh n LEU 364 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wmh n LEU 364 Cb 0.00 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2wmh n LEU 364 CO 0.00 -0.38 0.03 0.00 -1.33 0.00 0.00 177.39 175.71 2wmh n TYR 365 N -2.23 0.00 -3.65 -1.77 0.18 -0.61 -4.63 117.16 104.45 2wmh n TYR 365 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 2wmh n TYR 365 Cb 0.00 0.04 -0.13 0.00 -0.38 0.00 0.00 39.34 38.87 2wmh n TYR 365 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2wmh s SER 366 N 0.00 0.44 0.04 9.48 0.15 -0.88 -1.23 113.70 121.71 2wmh s SER 366 Ca 0.00 0.52 0.27 0.00 0.70 0.00 0.00 55.95 57.44 2wmh s SER 366 Cb 0.00 0.65 0.83 0.00 -1.71 0.00 0.00 66.02 65.79 2wmh s SER 366 CO 0.00 -0.25 1.67 0.59 1.20 0.00 0.00 173.24 176.45 2wmh n ASN 367 N 5.35 0.36 -3.32 5.45 5.03 -1.26 -2.99 115.26 123.87 2wmh n ASN 367 Ca -0.06 0.22 -0.12 0.00 0.87 0.00 0.00 54.58 55.49 2wmh n ASN 367 Cb 0.50 -0.21 -0.06 0.00 -1.02 0.00 0.00 39.78 38.98 2wmh n ASN 367 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2wmh s ASP 368 N -3.36 0.60 0.00 6.41 2.15 -1.26 -4.96 116.67 116.25 2wmh s ASP 368 Ca 0.12 -0.91 0.23 0.00 0.43 0.00 0.00 52.55 52.41 2wmh s ASP 368 Cb 0.17 0.94 1.21 0.00 -0.30 0.00 0.00 42.92 44.93 2wmh s ASP 368 CO 0.62 -0.30 1.73 -0.62 -0.17 0.00 0.00 175.17 176.43 2wmh n GLU 369 N 4.83 0.45 0.19 4.34 1.02 -1.26 -2.50 120.64 127.72 2wmh n GLU 369 Ca 0.05 0.05 0.14 0.00 -0.02 0.00 0.00 57.16 57.39 2wmh n GLU 369 Cb 0.48 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.90 2wmh n GLU 369 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2wmh h THR 370 N 0.00 0.00 -3.58 2.62 1.35 -1.89 -1.30 112.91 110.11 2wmh h THR 370 Ca 0.00 -0.50 -0.44 0.00 -0.55 0.00 0.00 66.41 64.92 2wmh h THR 370 Cb 0.14 1.42 -0.19 0.00 -1.73 0.00 0.00 68.15 67.79 2wmh h THR 370 CO 0.00 0.00 -0.77 -0.04 -0.25 0.00 0.00 175.52 174.46 2wmh s MET 371 N -3.39 1.06 0.26 4.72 -1.94 -1.04 -4.26 119.30 114.71 2wmh s MET 371 Ca 0.05 -1.24 0.16 0.00 -1.71 0.00 0.00 55.69 52.94 2wmh s MET 371 Cb 0.09 -1.00 0.05 0.00 2.01 0.00 0.00 34.83 35.98 2wmh s MET 371 CO 0.53 0.20 1.38 -1.00 -0.01 0.00 0.00 175.02 176.12 2wmh h PRO 372 N 3.56 0.00 -6.79 2.03 0.13 -1.87 -3.45 132.00 125.60 2wmh h PRO 372 Ca -0.41 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.20 2wmh h PRO 372 Cb 1.20 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.38 2wmh h PRO 372 CO 0.49 0.46 0.65 -0.51 -0.23 0.00 0.00 178.00 178.86 2wmh s LEU 373 N -6.37 4.43 0.08 1.56 1.43 -1.26 -4.96 118.68 113.59 2wmh s LEU 373 Ca 0.03 2.57 -0.10 0.00 -1.03 0.00 0.00 54.13 55.61 2wmh s LEU 373 Cb 0.08 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 2wmh s LEU 373 CO 0.75 -0.53 0.40 -0.31 0.23 0.00 0.00 176.35 176.89 2wmh s TYR 374 N -0.55 3.57 0.06 0.29 2.02 -1.26 -4.89 117.35 116.60 2wmh s TYR 374 Ca 0.53 0.77 -0.01 0.00 -0.37 0.00 0.00 57.07 57.99 2wmh s TYR 374 Cb -0.39 -2.15 -0.27 0.00 -0.40 0.00 0.00 41.96 38.76 2wmh s TYR 374 CO 0.46 0.51 1.09 -0.91 -1.57 0.00 0.00 175.55 175.13 2wmh h ASN 375 N 3.65 0.32 -3.84 2.29 2.35 -1.53 -3.44 115.58 115.39 2wmh h ASN 375 Ca -0.49 -0.37 -0.44 0.00 -0.55 0.00 0.00 56.30 54.45 2wmh h ASN 375 Cb 1.19 -0.11 -0.31 0.00 0.05 0.00 0.00 38.32 39.15 2wmh h ASN 375 CO 0.67 1.30 -0.79 0.21 -1.65 0.00 0.00 177.43 177.16 2wmh s ASN 376 N -6.99 1.31 0.00 5.81 3.84 -1.25 -3.53 114.94 114.12 2wmh s ASN 376 Ca -0.04 -0.20 0.19 0.00 0.21 0.00 0.00 52.86 53.01 2wmh s ASN 376 Cb 0.08 -0.34 0.40 0.00 -0.55 0.00 0.00 41.25 40.84 2wmh s ASN 376 CO 0.86 0.08 1.33 0.61 -2.79 0.00 0.00 177.10 177.19 2wmh n GLY 377 N 3.24 1.85 0.35 1.21 0.00 -1.03 -4.71 105.19 106.10 2wmh n GLY 377 Ca -0.18 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.36 2wmh n GLY 377 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wmh h ARG 378 N 3.64 0.26 -0.11 1.61 2.43 -1.93 -2.44 114.38 117.84 2wmh h ARG 378 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wmh h ARG 378 Cb 0.87 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2wmh h ARG 378 CO 0.00 0.17 0.00 0.66 -1.51 0.00 0.00 179.97 179.29 2wmh n TYR 379 N -4.46 0.14 -4.57 2.20 4.01 -1.26 -4.82 117.16 108.39 2wmh n TYR 379 Ca 0.09 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2wmh n TYR 379 Cb 0.40 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 2wmh n TYR 379 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2wmh n HIS 380 N 0.56 -0.44 -2.68 -0.72 8.25 -0.92 -3.87 115.22 115.40 2wmh n HIS 380 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 2wmh n HIS 380 Cb 0.31 0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 2wmh n HIS 380 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wmh s ILE 381 N 0.00 4.70 -0.23 1.59 1.01 -1.26 -4.94 121.20 122.07 2wmh s ILE 381 Ca 0.00 1.99 -0.29 0.00 0.00 0.00 0.00 60.65 62.35 2wmh s ILE 381 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 2wmh s ILE 381 CO 0.00 -0.16 1.35 -0.76 0.00 0.00 0.00 174.94 175.37 2wmh s LEU 382 N 3.07 4.00 0.33 2.97 1.43 -1.25 -4.99 118.68 124.24 2wmh s LEU 382 Ca 0.44 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.72 2wmh s LEU 382 Cb -0.15 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 2wmh s LEU 382 CO 0.07 -0.99 1.36 -2.84 0.23 0.00 0.00 176.35 174.18 2wmh s PRO 383 N 4.01 4.29 -0.19 1.29 0.02 -1.26 -4.55 135.00 138.61 2wmh s PRO 383 Ca 0.58 2.30 -0.05 0.00 0.02 0.00 0.00 61.00 63.86 2wmh s PRO 383 Cb -0.20 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 2wmh s PRO 383 CO 0.21 -0.29 0.01 0.08 -0.33 0.00 0.00 177.00 176.67 2wmh s VAL 384 N -0.96 4.10 -0.16 3.83 1.01 -0.85 -1.33 120.40 126.04 2wmh s VAL 384 Ca 0.51 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 2wmh s VAL 384 Cb -0.41 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2wmh s VAL 384 CO 0.54 0.44 0.12 -0.63 0.00 0.00 0.00 175.10 175.57 2wmh s ILE 385 N 0.79 5.34 0.50 2.22 -1.09 0.69 -4.30 121.20 125.35 2wmh s ILE 385 Ca 0.01 0.16 -0.21 0.00 -2.23 0.00 0.00 60.65 58.37 2wmh s ILE 385 Cb -0.14 -3.38 -0.07 0.00 -1.58 0.00 0.00 42.46 37.29 2wmh s ILE 385 CO 0.02 0.52 1.12 -2.28 -1.23 0.00 0.00 174.94 173.09 2wmh s HIS 386 N -0.20 2.81 0.58 3.97 2.46 -1.26 -1.06 115.29 122.58 2wmh s HIS 386 Ca 0.10 1.55 0.28 0.00 0.47 0.00 0.00 55.06 57.46 2wmh s HIS 386 Cb -0.12 -3.27 1.67 0.00 -0.13 0.00 0.00 32.58 30.73 2wmh s HIS 386 CO 0.01 -1.39 2.16 1.05 -2.47 0.00 0.00 174.74 174.10 2wmh h GLU 387 N 1.56 0.00 0.00 2.88 4.11 -1.96 -2.01 114.58 119.16 2wmh h GLU 387 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2wmh h GLU 387 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2wmh h GLU 387 CO 0.58 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.29 2wmh n LYS 388 N -3.93 0.11 -3.13 1.06 4.76 -1.26 -4.60 118.16 111.17 2wmh n LYS 388 Ca -0.00 0.27 -0.40 0.00 -2.87 0.00 0.00 58.31 55.31 2wmh n LYS 388 Cb 0.22 -1.67 -0.06 0.00 -1.84 0.00 0.00 35.03 31.67 2wmh n LYS 388 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wmh s ILE 389 N -3.13 5.03 0.61 -0.18 -1.09 -0.76 -5.06 121.20 116.63 2wmh s ILE 389 Ca 0.08 1.17 -0.17 0.00 -2.23 0.00 0.00 60.65 59.50 2wmh s ILE 389 Cb 0.11 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 2wmh s ILE 389 CO 0.40 0.12 1.11 -1.81 -1.23 0.00 0.00 174.94 173.53 2wmh s ASP 390 N 1.18 5.39 0.35 3.58 1.01 -1.26 -4.90 116.67 122.02 2wmh s ASP 390 Ca 0.28 2.04 0.03 0.00 0.71 0.00 0.00 52.55 55.62 2wmh s ASP 390 Cb -0.16 -2.56 0.65 0.00 1.01 0.00 0.00 42.92 41.87 2wmh s ASP 390 CO 0.10 -1.44 1.98 0.50 0.21 0.00 0.00 175.17 176.52 2wmh h LYS 391 N 0.49 0.71 -0.84 8.23 3.64 -1.97 -1.83 116.57 125.00 2wmh h LYS 391 Ca -0.48 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.82 2wmh h LYS 391 Cb 1.25 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 2wmh h LYS 391 CO 0.55 0.53 0.47 0.93 -2.27 0.00 0.00 179.45 179.67 2wmh h GLU 392 N 0.72 1.16 -0.41 1.90 4.39 -1.99 -1.47 114.58 118.87 2wmh h GLU 392 Ca 0.18 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 2wmh h GLU 392 Cb 0.03 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 2wmh h GLU 392 CO -0.03 0.84 -0.12 -0.22 -1.16 0.00 0.00 179.01 178.32 2wmh h LYS 393 N 1.17 0.74 -0.20 2.33 1.63 -1.72 -1.79 116.57 118.73 2wmh h LYS 393 Ca 0.30 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2wmh h LYS 393 Cb 0.00 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2wmh h LYS 393 CO -0.05 0.83 0.08 0.82 -3.45 0.00 0.00 179.45 177.68 2wmh h ILE 394 N 0.67 1.16 -0.94 2.00 2.04 -0.88 -0.12 117.51 121.44 2wmh h ILE 394 Ca 0.11 -0.48 0.13 0.00 1.00 0.00 0.00 64.86 65.62 2wmh h ILE 394 Cb 0.58 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 2wmh h ILE 394 CO 0.04 0.16 0.60 0.28 0.00 0.00 0.00 178.15 179.22 2wmh h SER 395 N 0.18 0.81 -0.01 1.72 0.02 -1.12 0.23 113.55 115.38 2wmh h SER 395 Ca 0.07 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 2wmh h SER 395 Cb 0.17 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2wmh h SER 395 CO -0.01 0.43 -0.59 -1.28 -1.14 0.00 0.00 176.83 174.24 2wmh h SER 396 N 0.87 0.69 0.21 3.07 0.87 -0.69 -2.63 113.55 115.93 2wmh h SER 396 Ca 0.47 -0.38 -0.32 0.00 -1.23 0.00 0.00 61.79 60.32 2wmh h SER 396 Cb 0.56 -0.20 0.04 0.00 -0.44 0.00 0.00 62.40 62.36 2wmh h SER 396 CO -0.23 1.12 -1.40 0.40 -0.53 0.00 0.00 176.83 176.19 2wmh h ILE 397 N 0.46 1.29 -2.21 2.23 2.04 -0.12 -3.39 117.51 117.81 2wmh h ILE 397 Ca -0.00 -2.62 -0.58 0.00 1.00 0.00 0.00 64.86 62.66 2wmh h ILE 397 Cb 1.16 2.94 -0.42 0.00 -0.74 0.00 0.00 36.82 39.76 2wmh h ILE 397 CO 0.11 0.79 -0.71 0.49 0.00 0.00 0.00 178.15 178.83 2wmh n PHE 398 N -3.75 3.26 0.29 1.37 3.72 0.72 -4.95 117.46 118.11 2wmh n PHE 398 Ca -0.16 -4.00 0.17 0.00 -0.05 0.00 0.00 57.45 53.40 2wmh n PHE 398 Cb 1.06 -0.50 0.95 0.00 -0.94 0.00 0.00 39.48 40.06 2wmh n PHE 398 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wmh h PRO 399 N 3.43 0.00 -0.02 -1.08 0.13 -1.68 -1.50 132.00 131.28 2wmh h PRO 399 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2wmh h PRO 399 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2wmh h PRO 399 CO 0.77 0.00 -0.12 0.09 -0.23 0.00 0.00 178.00 178.51 2wmh n ASN 400 N -3.70 2.59 -4.84 1.44 5.03 -1.26 -4.96 115.26 109.56 2wmh n ASN 400 Ca -0.02 -1.81 -0.36 0.00 0.87 0.00 0.00 54.58 53.25 2wmh n ASN 400 Cb 0.12 0.11 -0.06 0.00 -1.02 0.00 0.00 39.78 38.93 2wmh n ASN 400 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wmh s ALA 401 N -2.12 3.59 0.24 5.41 0.00 -0.56 -4.89 121.76 123.42 2wmh s ALA 401 Ca 0.27 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 2wmh s ALA 401 Cb 0.20 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 2wmh s ALA 401 CO 0.37 0.45 1.21 0.21 0.00 0.00 0.00 175.76 177.99 2wmh s LYS 402 N -1.73 4.49 -0.50 0.00 2.47 -0.22 -4.89 119.74 119.37 2wmh s LYS 402 Ca 0.35 1.94 -0.17 0.00 -1.56 0.00 0.00 55.97 56.54 2wmh s LYS 402 Cb -0.16 -3.19 0.08 0.00 -1.46 0.00 0.00 37.83 33.09 2wmh s LYS 402 CO 0.19 -0.05 0.49 0.42 0.16 0.00 0.00 175.35 176.56 2wmh s ILE 403 N -0.50 5.10 0.18 5.43 1.01 -1.26 -1.24 121.20 129.92 2wmh s ILE 403 Ca 0.51 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 2wmh s ILE 403 Cb -0.34 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 37.83 2wmh s ILE 403 CO 0.41 -0.71 0.74 -0.76 0.00 0.00 0.00 174.94 174.62 2wmh s LEU 404 N 1.99 4.50 0.36 2.97 1.43 0.10 -4.94 118.68 125.09 2wmh s LEU 404 Ca 0.08 1.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2wmh s LEU 404 Cb -0.23 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 2wmh s LEU 404 CO 0.08 0.15 0.08 0.42 0.23 0.00 0.00 176.35 177.30 2wmh s THR 405 N -1.29 1.01 0.52 5.49 -4.23 -1.26 -0.34 115.64 115.55 2wmh s THR 405 Ca 0.38 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.07 2wmh s THR 405 Cb -0.20 -2.62 0.27 0.00 1.34 0.00 0.00 72.50 71.29 2wmh s THR 405 CO 0.24 0.00 2.15 0.50 -0.54 0.00 0.00 174.62 176.96 2wmh h LYS 406 N 1.96 0.00 -0.14 3.99 3.64 -1.75 -1.90 116.57 122.36 2wmh h LYS 406 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2wmh h LYS 406 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2wmh h LYS 406 CO 0.66 0.02 0.00 0.09 -2.27 0.00 0.00 179.45 177.96 2wmh n ASN 407 N -4.39 1.46 -4.68 4.20 3.02 -1.26 -4.92 115.26 108.70 2wmh n ASN 407 Ca -0.03 -1.67 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 2wmh n ASN 407 Cb 0.11 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2wmh n ASN 407 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2wmh s SER 408 N -1.58 6.55 0.49 6.41 0.01 -0.72 -4.87 113.70 119.99 2wmh s SER 408 Ca 0.32 2.53 0.16 0.00 1.31 0.00 0.00 55.95 60.27 2wmh s SER 408 Cb 0.17 -2.55 1.19 0.00 0.21 0.00 0.00 66.02 65.04 2wmh s SER 408 CO 0.26 -0.96 2.08 -0.33 0.41 0.00 0.00 173.24 174.69 2wmh h GLU 409 N 9.24 0.15 0.00 12.44 4.39 -1.91 -2.18 114.58 136.71 2wmh h GLU 409 Ca -0.44 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 2wmh h GLU 409 Cb 1.21 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2wmh h GLU 409 CO 0.94 0.10 -0.06 0.93 -1.16 0.00 0.00 179.01 179.76 2wmh h GLU 410 N 0.16 0.00 0.00 2.33 3.07 -1.96 -2.33 114.58 115.84 2wmh h GLU 410 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2wmh h GLU 410 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2wmh h GLU 410 CO -0.02 0.06 0.00 1.28 -1.40 0.00 0.00 179.01 178.93 2wmh n LEU 411 N -3.81 0.00 0.22 1.33 4.77 -0.82 -1.76 117.00 116.94 2wmh n LEU 411 Ca -0.02 0.34 0.09 0.00 -0.03 0.00 0.00 56.01 56.38 2wmh n LEU 411 Cb 0.16 -0.34 0.52 0.00 -2.33 0.00 0.00 43.42 41.43 2wmh n LEU 411 CO 0.29 -0.22 0.83 0.77 -1.33 0.00 0.00 177.39 177.73 2wmh h SER 412 N 0.00 0.00 -2.11 -1.43 4.64 -1.62 -3.13 113.55 109.91 2wmh h SER 412 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2wmh h SER 412 Cb 0.12 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.81 2wmh h SER 412 CO 0.00 0.24 -0.92 -1.54 -0.87 0.00 0.00 176.83 173.74 2wmh n SER 413 N -3.67 1.36 -0.00 4.97 3.41 -0.72 -5.01 113.62 113.95 2wmh n SER 413 Ca -0.01 -2.93 -0.09 0.00 -0.26 0.00 0.00 58.87 55.58 2wmh n SER 413 Cb 0.36 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 2wmh n SER 413 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wmh h LYS 414 N 4.17 -0.24 -0.15 4.33 3.64 -1.53 0.06 116.57 126.84 2wmh h LYS 414 Ca 0.12 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2wmh h LYS 414 Cb 0.81 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2wmh h LYS 414 CO 0.58 -0.16 -0.04 0.28 -2.27 0.00 0.00 179.45 177.84 2wmh h VAL 415 N -0.25 1.29 -0.88 2.00 2.07 -1.91 -1.60 116.25 116.98 2wmh h VAL 415 Ca 0.10 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.69 2wmh h VAL 415 Cb 0.40 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 2wmh h VAL 415 CO -0.29 0.29 0.54 0.78 0.02 0.00 0.00 177.57 178.92 2wmh h ASN 416 N -0.01 0.84 0.01 0.57 2.35 -1.89 0.09 115.58 117.53 2wmh h ASN 416 Ca 0.04 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2wmh h ASN 416 Cb 0.47 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2wmh h ASN 416 CO 0.02 0.53 -0.00 0.22 -1.65 0.00 0.00 177.43 176.54 2wmh h TYR 417 N 0.97 -0.01 -0.48 1.19 3.20 -0.87 -1.88 116.97 119.08 2wmh h TYR 417 Ca 0.39 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 2wmh h TYR 417 Cb 0.21 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2wmh h TYR 417 CO -0.03 0.24 0.23 -0.07 -1.64 0.00 0.00 178.16 176.89 2wmh h LEU 418 N -0.26 0.60 -1.85 2.82 3.38 -1.02 -1.03 115.31 117.95 2wmh h LEU 418 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2wmh h LEU 418 Cb 0.26 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2wmh h LEU 418 CO 0.00 0.52 -0.11 0.78 0.09 0.00 0.00 178.44 179.72 2wmh h ASN 419 N 0.68 0.00 0.99 -0.43 2.35 -0.83 -0.14 115.58 118.20 2wmh h ASN 419 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2wmh h ASN 419 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2wmh h ASN 419 CO -0.02 0.11 0.00 0.77 -1.65 0.00 0.00 177.43 176.64 2wmh h SER 420 N 0.00 0.00 0.00 5.81 4.64 -0.34 -3.33 113.55 120.33 2wmh h SER 420 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 2wmh h SER 420 Cb 0.38 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 2wmh h SER 420 CO 0.01 0.00 -2.08 0.18 -0.87 0.00 0.00 176.83 174.08 2wmh n LEU 421 N -2.37 2.40 -4.23 5.97 4.77 -0.58 -4.87 117.00 118.09 2wmh n LEU 421 Ca 0.03 -0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.53 2wmh n LEU 421 Cb 0.30 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 2wmh n LEU 421 CO 0.24 0.74 -0.11 -0.31 -1.33 0.00 0.00 177.39 176.61 2wmh s TYR 422 N -2.38 3.39 0.68 -1.77 2.02 -0.17 -4.92 117.35 114.21 2wmh s TYR 422 Ca -0.22 -1.77 -0.16 0.00 -0.37 0.00 0.00 57.07 54.55 2wmh s TYR 422 Cb 0.06 -3.06 0.01 0.00 -0.40 0.00 0.00 41.96 38.57 2wmh s TYR 422 CO 0.48 -0.90 1.18 -1.25 -1.57 0.00 0.00 175.55 173.48 2wmh s PRO 423 N 1.35 2.48 -0.00 -1.71 0.04 -1.26 -4.54 135.00 131.36 2wmh s PRO 423 Ca 0.04 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 2wmh s PRO 423 Cb -0.23 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2wmh s PRO 423 CO 0.00 -1.55 1.18 0.21 0.04 0.00 0.00 177.00 176.89 2wmh s LYS 424 N -3.87 4.40 -0.00 4.56 2.20 -1.26 -4.92 119.74 120.84 2wmh s LYS 424 Ca 0.72 1.69 0.10 0.00 -0.36 0.00 0.00 55.97 58.13 2wmh s LYS 424 Cb -0.26 -3.47 -0.12 0.00 -1.51 0.00 0.00 37.83 32.47 2wmh s LYS 424 CO 0.42 -0.34 0.38 1.28 -0.36 0.00 0.00 175.35 176.73 2wmh n LEU 425 N 4.60 0.36 -3.80 5.43 4.77 -1.26 -5.05 117.00 122.05 2wmh n LEU 425 Ca 0.10 -0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 55.60 2wmh n LEU 425 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2wmh n LEU 425 CO 0.55 0.09 0.17 -0.72 -1.33 0.00 0.00 177.39 176.15 2wmh s TYR 426 N -2.13 0.04 0.20 -1.77 -0.85 -1.26 -4.31 117.35 107.27 2wmh s TYR 426 Ca 0.02 -0.39 0.08 0.00 -0.52 0.00 0.00 57.07 56.26 2wmh s TYR 426 Cb 0.07 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 2wmh s TYR 426 CO 0.42 -0.83 0.03 -1.21 -1.52 0.00 0.00 175.55 172.43 2wmh s GLU 427 N -3.90 2.47 0.00 -3.49 0.41 -0.84 -4.98 118.70 108.37 2wmh s GLU 427 Ca 0.11 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.52 2wmh s GLU 427 Cb 0.01 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 2wmh s GLU 427 CO -0.03 0.43 0.00 0.41 -0.49 0.00 0.00 175.26 175.58 2wmh n GLY 428 N -0.41 0.97 0.55 -1.39 0.00 -1.26 -0.48 105.19 103.17 2wmh n GLY 428 Ca -0.09 -2.25 0.06 0.00 0.00 0.00 0.00 46.02 43.74 2wmh n GLY 428 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wmh n ASP 429 N 0.00 2.31 -4.73 1.61 5.68 -0.49 -4.97 116.55 115.98 2wmh n ASP 429 Ca 0.00 -1.66 -0.29 0.00 -0.50 0.00 0.00 54.79 52.35 2wmh n ASP 429 Cb 0.00 -0.08 0.11 0.00 -1.14 0.00 0.00 41.12 40.01 2wmh n ASP 429 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2wmh s GLY 430 N -1.01 1.65 -0.17 6.12 0.00 -0.93 -4.83 107.32 108.14 2wmh s GLY 430 Ca 0.18 -0.82 -0.21 0.00 0.00 0.00 0.00 44.72 43.87 2wmh s GLY 430 CO 0.16 -0.27 0.62 -0.47 0.00 0.00 0.00 173.10 173.13 2wmh s TYR 431 N -3.61 3.42 -0.03 1.90 5.04 -0.36 -4.75 117.35 118.96 2wmh s TYR 431 Ca 0.65 0.96 -0.02 0.00 -2.44 0.00 0.00 57.07 56.22 2wmh s TYR 431 Cb -0.09 -2.77 0.02 0.00 0.35 0.00 0.00 41.96 39.47 2wmh s TYR 431 CO 0.49 -0.10 0.08 0.00 -1.34 0.00 0.00 175.55 174.68 2wmh s ALA 432 N 1.62 -0.12 -0.06 3.97 0.00 -1.26 -1.32 121.76 124.59 2wmh s ALA 432 Ca 0.29 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.65 2wmh s ALA 432 Cb -0.16 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2wmh s ALA 432 CO 0.11 -0.09 -0.15 -1.14 0.00 0.00 0.00 175.76 174.49 2wmh s GLN 433 N 0.68 1.88 -0.27 0.00 0.74 0.79 -2.47 119.66 121.02 2wmh s GLN 433 Ca -0.05 -0.52 -0.21 0.00 0.05 0.00 0.00 55.36 54.63 2wmh s GLN 433 Cb -0.07 -1.55 -0.02 0.00 1.10 0.00 0.00 33.01 32.48 2wmh s GLN 433 CO -0.03 0.10 0.65 0.50 -0.55 0.00 0.00 175.29 175.96 2wmh s ARG 434 N 0.47 4.07 -0.34 1.67 6.06 -1.26 -1.00 118.95 128.61 2wmh s ARG 434 Ca -0.13 0.53 0.02 0.00 -2.50 0.00 0.00 55.73 53.65 2wmh s ARG 434 Cb -0.15 -3.67 0.10 0.00 0.06 0.00 0.00 34.95 31.30 2wmh s ARG 434 CO 0.04 -0.46 0.09 0.08 -2.50 0.00 0.00 175.30 172.55 2wmh s VAL 435 N 2.57 1.55 0.00 7.11 1.01 0.25 -5.01 120.40 127.88 2wmh s VAL 435 Ca 0.27 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.32 2wmh s VAL 435 Cb -0.15 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2wmh s VAL 435 CO 0.09 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.14 2wmh n GLY 436 N 4.46 3.88 1.52 4.51 0.00 -1.26 -1.23 105.19 117.06 2wmh n GLY 436 Ca 0.01 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2wmh n GLY 436 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wmh n ASN 437 N 6.83 4.46 -4.26 1.61 6.94 -1.26 -4.92 115.26 124.66 2wmh n ASN 437 Ca 0.00 -2.65 -0.19 0.00 -0.02 0.00 0.00 54.58 51.72 2wmh n ASN 437 Cb 0.00 -0.62 -0.11 0.00 -2.36 0.00 0.00 39.78 36.69 2wmh n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2wmh s SER 438 N -0.61 2.14 -0.16 0.53 0.01 -0.36 -1.02 113.70 114.22 2wmh s SER 438 Ca 0.41 -0.83 -0.06 0.00 1.31 0.00 0.00 55.95 56.78 2wmh s SER 438 Cb 0.30 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2wmh s SER 438 CO 0.13 -0.13 0.03 0.26 0.41 0.00 0.00 173.24 173.94 2wmh s TRP 439 N -2.17 3.19 -0.18 2.43 0.52 0.26 -0.58 118.94 122.41 2wmh s TRP 439 Ca 0.11 -0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.19 2wmh s TRP 439 Cb -0.05 -2.01 -0.02 0.00 -1.15 0.00 0.00 33.47 30.25 2wmh s TRP 439 CO 0.04 0.15 -0.06 0.71 0.02 0.00 0.00 176.95 177.81 2wmh s TYR 440 N 0.19 2.95 -0.00 -1.98 2.02 -0.17 -0.96 117.35 119.40 2wmh s TYR 440 Ca 0.02 -0.61 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 2wmh s TYR 440 Cb -0.13 -1.99 -0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2wmh s TYR 440 CO 0.01 -0.27 -0.04 0.42 -1.57 0.00 0.00 175.55 174.10 2wmh s ILE 441 N 0.81 0.30 0.18 2.71 1.01 -0.46 -0.14 121.20 125.60 2wmh s ILE 441 Ca -0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 2wmh s ILE 441 Cb -0.15 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.09 2wmh s ILE 441 CO 0.02 0.09 0.47 -0.72 0.00 0.00 0.00 174.94 174.79 2wmh s TYR 442 N -0.05 -0.07 -0.12 3.97 -0.85 -0.44 -0.75 117.35 119.04 2wmh s TYR 442 Ca 0.01 -0.26 -0.30 0.00 -0.52 0.00 0.00 57.07 56.00 2wmh s TYR 442 Cb -0.02 0.31 -0.02 0.00 0.38 0.00 0.00 41.96 42.61 2wmh s TYR 442 CO -0.00 -0.84 1.13 1.21 -1.52 0.00 0.00 175.55 175.52 2wmh s ASN 443 N -2.87 7.10 0.00 -0.18 3.84 -0.89 -1.22 114.94 120.72 2wmh s ASN 443 Ca 0.09 1.64 0.18 0.00 0.21 0.00 0.00 52.86 54.97 2wmh s ASN 443 Cb 0.00 -2.55 0.84 0.00 -0.55 0.00 0.00 41.25 38.99 2wmh s ASN 443 CO -0.05 -0.59 1.57 -1.54 -2.79 0.00 0.00 177.10 173.70 2wmh n SER 444 N 5.58 0.81 -4.54 -4.21 3.41 -1.26 -4.51 113.62 108.89 2wmh n SER 444 Ca 0.11 -1.61 -0.43 0.00 -0.26 0.00 0.00 58.87 56.68 2wmh n SER 444 Cb 0.47 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 2wmh n SER 444 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wmh s ASN 445 N -1.50 6.41 0.09 4.04 0.01 -1.26 -4.88 114.94 117.85 2wmh s ASN 445 Ca 0.27 -0.13 -0.15 0.00 -0.71 0.00 0.00 52.86 52.14 2wmh s ASN 445 Cb 0.14 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.28 2wmh s ASN 445 CO 0.22 -1.07 1.40 0.00 -1.51 0.00 0.00 177.10 176.14 2wmh h ALA 446 N 9.13 0.39 -0.01 0.60 0.00 -1.99 -3.40 119.26 123.99 2wmh h ALA 446 Ca -0.25 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.10 2wmh h ALA 446 Cb 1.08 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.50 2wmh h ALA 446 CO 1.03 0.41 -0.74 -1.71 0.00 0.00 0.00 179.25 178.24 2wmh n ASN 447 N -4.28 0.20 -4.07 0.00 5.15 -1.26 -4.95 115.26 106.05 2wmh n ASN 447 Ca -0.04 -2.00 -0.28 0.00 -0.60 0.00 0.00 54.58 51.65 2wmh n ASN 447 Cb 0.47 -0.06 -0.17 0.00 -0.53 0.00 0.00 39.78 39.49 2wmh n ASN 447 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2wmh s ILE 448 N -0.04 1.51 -1.32 -1.44 -1.09 -1.26 -4.39 121.20 113.16 2wmh s ILE 448 Ca 0.20 -0.66 -0.13 0.00 -2.23 0.00 0.00 60.65 57.84 2wmh s ILE 448 Cb 0.24 -1.37 0.12 0.00 -1.58 0.00 0.00 42.46 39.86 2wmh s ILE 448 CO -0.10 0.44 1.87 -3.20 -1.23 0.00 0.00 174.94 172.72 2wmh n ASN 449 N 4.12 4.74 -3.94 3.58 5.15 -1.26 -4.85 115.26 122.81 2wmh n ASN 449 Ca -0.19 -2.98 -0.18 0.00 -0.60 0.00 0.00 54.58 50.63 2wmh n ASN 449 Cb 0.51 -1.59 -0.15 0.00 -0.53 0.00 0.00 39.78 38.02 2wmh n ASN 449 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wmh s LYS 450 N 2.05 0.66 0.59 1.20 -0.14 -1.26 -5.02 119.74 117.82 2wmh s LYS 450 Ca 0.45 -0.17 -0.15 0.00 -1.36 0.00 0.00 55.97 54.74 2wmh s LYS 450 Cb 0.08 -0.66 -0.04 0.00 -1.68 0.00 0.00 37.83 35.52 2wmh s LYS 450 CO -0.01 0.04 1.04 -0.80 -0.76 0.00 0.00 175.35 174.85 2wmh s ASN 451 N 0.35 5.98 0.09 2.83 -0.87 -1.26 -4.19 114.94 117.87 2wmh s ASN 451 Ca -0.04 1.70 0.06 0.00 -1.57 0.00 0.00 52.86 53.00 2wmh s ASN 451 Cb -0.08 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.25 38.60 2wmh s ASN 451 CO -0.00 -1.03 -0.15 -1.10 -2.57 0.00 0.00 177.10 172.24 2wmh s GLN 452 N -4.29 0.92 0.07 -0.60 -0.21 -0.53 -4.98 119.66 110.04 2wmh s GLN 452 Ca 0.61 -1.06 0.09 0.00 0.02 0.00 0.00 55.36 55.01 2wmh s GLN 452 Cb -0.14 -0.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.91 2wmh s GLN 452 CO 0.39 0.20 -0.23 -0.65 -2.12 0.00 0.00 175.29 172.89 2wmh s GLN 453 N -2.00 1.39 0.02 2.91 1.11 -1.26 -0.73 119.66 121.10 2wmh s GLN 453 Ca 0.02 -1.10 0.03 0.00 0.01 0.00 0.00 55.36 54.32 2wmh s GLN 453 Cb -0.09 -1.62 -0.02 0.00 -1.01 0.00 0.00 33.01 30.27 2wmh s GLN 453 CO 0.03 0.40 -0.10 0.14 0.01 0.00 0.00 175.29 175.77 2wmh s VAL 454 N -0.94 0.73 -0.23 1.09 -7.23 -0.46 -1.39 120.40 111.96 2wmh s VAL 454 Ca 0.09 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2wmh s VAL 454 Cb -0.10 -0.69 0.05 0.00 0.56 0.00 0.00 36.38 36.20 2wmh s VAL 454 CO 0.03 -0.05 -0.14 -0.32 -0.31 0.00 0.00 175.10 174.31 2wmh s MET 455 N -0.91 2.49 -0.37 4.82 1.75 0.37 -1.34 119.30 126.11 2wmh s MET 455 Ca -0.01 -1.17 -0.08 0.00 -1.25 0.00 0.00 55.69 53.18 2wmh s MET 455 Cb -0.07 -2.78 0.06 0.00 2.84 0.00 0.00 34.83 34.88 2wmh s MET 455 CO 0.00 -0.45 0.17 -0.51 -0.65 0.00 0.00 175.02 173.59 2wmh s LEU 456 N 1.17 4.70 0.56 4.11 1.43 0.12 -2.00 118.68 128.77 2wmh s LEU 456 Ca -0.04 -1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 51.56 2wmh s LEU 456 Cb -0.18 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 2wmh s LEU 456 CO -0.08 -0.42 1.16 -2.65 0.23 0.00 0.00 176.35 174.59 2wmh n PRO 457 N 4.86 1.31 -4.30 1.29 -0.02 -1.26 -0.86 135.00 136.01 2wmh n PRO 457 Ca -0.11 0.49 -0.27 0.00 -2.02 0.00 0.00 63.50 61.59 2wmh n PRO 457 Cb 0.44 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 2wmh n PRO 457 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2wmh s MET 458 N -2.74 1.95 0.00 -0.52 -1.94 -0.80 -4.85 119.30 110.40 2wmh s MET 458 Ca 0.73 -1.27 0.15 0.00 -1.71 0.00 0.00 55.69 53.58 2wmh s MET 458 Cb -0.43 -2.12 0.20 0.00 2.01 0.00 0.00 34.83 34.48 2wmh s MET 458 CO 0.49 0.44 1.07 0.66 -0.01 0.00 0.00 175.02 177.67 2wmh n TYR 459 N 0.24 0.17 -4.40 -0.03 4.01 -1.26 -4.91 117.16 110.98 2wmh n TYR 459 Ca -0.12 -0.14 -0.20 0.00 -0.16 0.00 0.00 57.90 57.29 2wmh n TYR 459 Cb 0.55 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.47 2wmh n TYR 459 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2wmh s THR 460 N -1.17 1.29 -0.95 -0.72 -4.23 -1.26 -5.05 115.64 103.54 2wmh s THR 460 Ca 0.21 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 2wmh s THR 460 Cb 0.13 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.80 2wmh s THR 460 CO 0.19 -0.23 1.06 -0.46 -0.54 0.00 0.00 174.62 174.64 2wmh n ASN 461 N -0.55 2.69 -0.29 3.99 6.94 -1.26 -3.93 115.26 122.85 2wmh n ASN 461 Ca -0.04 -2.31 0.03 0.00 -0.02 0.00 0.00 54.58 52.23 2wmh n ASN 461 Cb 0.64 -0.50 0.16 0.00 -2.36 0.00 0.00 39.78 37.72 2wmh n ASN 461 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 2wmh h ASN 462 N 1.67 0.67 -5.06 0.53 4.21 -1.89 -3.45 115.58 112.26 2wmh h ASN 462 Ca 0.00 0.05 -0.05 0.00 1.21 0.00 0.00 56.30 57.51 2wmh h ASN 462 Cb 0.97 -0.08 -0.13 0.00 -1.12 0.00 0.00 38.32 37.96 2wmh h ASN 462 CO 0.16 0.39 -0.03 0.28 -1.29 0.00 0.00 177.43 176.94 2wmh s THR 463 N -6.04 0.06 -0.09 2.81 -1.32 -1.25 -4.49 115.64 105.32 2wmh s THR 463 Ca -0.12 -0.47 -0.26 0.00 -1.21 0.00 0.00 61.69 59.63 2wmh s THR 463 Cb 0.19 -1.12 -0.27 0.00 -1.51 0.00 0.00 72.50 69.79 2wmh s THR 463 CO 0.78 -0.26 0.88 0.50 -2.21 0.00 0.00 174.62 174.31 2wmh h LYS 464 N 2.36 0.14 -3.76 7.08 3.64 -0.57 -3.43 116.57 122.04 2wmh h LYS 464 Ca -0.34 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 58.73 2wmh h LYS 464 Cb 1.26 0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 33.00 2wmh h LYS 464 CO 0.45 1.06 -0.41 -1.54 -2.27 0.00 0.00 179.45 176.74 2wmh s SER 465 N -6.49 0.12 -0.06 4.20 1.04 -1.00 -1.91 113.70 109.60 2wmh s SER 465 Ca -0.16 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.69 2wmh s SER 465 Cb -0.01 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.44 2wmh s SER 465 CO 0.75 -0.65 -0.05 -0.22 0.98 0.00 0.00 173.24 174.04 2wmh s LEU 466 N -2.58 1.24 0.10 2.42 0.20 -0.04 -1.07 118.68 118.94 2wmh s LEU 466 Ca 0.01 -0.17 0.08 0.00 0.69 0.00 0.00 54.13 54.74 2wmh s LEU 466 Cb 0.03 -0.57 -0.04 0.00 -0.43 0.00 0.00 46.19 45.18 2wmh s LEU 466 CO -0.08 -0.07 -0.12 -0.44 -0.29 0.00 0.00 176.35 175.34 2wmh s SER 467 N 1.16 4.25 -0.02 3.68 0.01 0.42 0.11 113.70 123.30 2wmh s SER 467 Ca -0.07 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.79 2wmh s SER 467 Cb -0.14 -0.76 -0.00 0.00 0.21 0.00 0.00 66.02 65.33 2wmh s SER 467 CO -0.01 0.18 -0.09 -0.76 0.41 0.00 0.00 173.24 172.97 2wmh s LEU 468 N -2.17 1.89 -0.24 2.44 1.43 -0.45 -1.36 118.68 120.22 2wmh s LEU 468 Ca 0.20 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2wmh s LEU 468 Cb -0.11 -0.51 -0.00 0.00 0.03 0.00 0.00 46.19 45.60 2wmh s LEU 468 CO 0.12 0.09 -0.01 -0.62 0.23 0.00 0.00 176.35 176.16 2wmh s ASP 469 N 0.01 4.56 -0.12 2.29 2.15 -0.51 -1.36 116.67 123.70 2wmh s ASP 469 Ca -0.00 -0.51 0.03 0.00 0.43 0.00 0.00 52.55 52.49 2wmh s ASP 469 Cb -0.06 -1.78 0.01 0.00 -0.30 0.00 0.00 42.92 40.79 2wmh s ASP 469 CO 0.00 -0.07 -0.22 -0.76 -0.17 0.00 0.00 175.17 173.95 2wmh s LEU 470 N 1.47 2.06 0.73 -1.34 1.43 0.09 -2.31 118.68 120.81 2wmh s LEU 470 Ca 0.04 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2wmh s LEU 470 Cb -0.15 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.71 2wmh s LEU 470 CO -0.02 0.10 1.09 0.42 0.23 0.00 0.00 176.35 178.18 2wmh s THR 471 N 0.68 3.44 0.58 5.49 -4.23 -1.26 -1.46 115.64 118.88 2wmh s THR 471 Ca -0.11 0.47 -0.19 0.00 -1.18 0.00 0.00 61.69 60.68 2wmh s THR 471 Cb -0.16 -3.38 -0.06 0.00 1.34 0.00 0.00 72.50 70.24 2wmh s THR 471 CO 0.02 -0.61 0.94 -2.65 -0.54 0.00 0.00 174.62 171.78 2wmh n PRO 472 N -3.12 0.93 -3.35 3.99 -0.02 -1.26 -3.00 135.00 129.17 2wmh n PRO 472 Ca 0.07 0.36 -0.19 0.00 -2.02 0.00 0.00 63.50 61.72 2wmh n PRO 472 Cb 0.57 -2.13 0.06 0.00 -0.02 0.00 0.00 33.50 31.98 2wmh n PRO 472 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2wmh n HIS 473 N -1.60 -2.25 -4.93 6.00 8.25 -1.26 -5.02 115.22 114.41 2wmh n HIS 473 Ca 0.13 0.79 -0.28 0.00 -0.26 0.00 0.00 57.72 58.10 2wmh n HIS 473 Cb 0.46 -4.15 -0.17 0.00 1.12 0.00 0.00 29.99 27.26 2wmh n HIS 473 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wmh s THR 474 N -3.25 1.62 0.27 1.59 2.01 -1.16 -4.26 115.64 112.46 2wmh s THR 474 Ca 0.46 -0.78 0.11 0.00 0.31 0.00 0.00 61.69 61.79 2wmh s THR 474 Cb -0.20 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 2wmh s THR 474 CO 0.56 0.46 -0.19 -0.72 -0.69 0.00 0.00 174.62 174.04 2wmh s TYR 475 N 0.35 2.19 0.01 4.92 -0.85 -0.49 -2.10 117.35 121.39 2wmh s TYR 475 Ca -0.13 -0.37 -0.10 0.00 -0.52 0.00 0.00 57.07 55.94 2wmh s TYR 475 Cb -0.16 -0.96 0.01 0.00 0.38 0.00 0.00 41.96 41.23 2wmh s TYR 475 CO 0.05 0.66 0.21 0.00 -1.52 0.00 0.00 175.55 174.95 2wmh s ALA 476 N -2.58 -0.46 -0.06 9.51 0.00 0.07 -1.75 121.76 126.49 2wmh s ALA 476 Ca 0.29 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.18 2wmh s ALA 476 Cb -0.04 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.28 2wmh s ALA 476 CO 0.14 -0.29 -0.06 0.08 0.00 0.00 0.00 175.76 175.63 2wmh s VAL 477 N -1.88 0.66 -0.21 0.00 1.01 0.22 -1.35 120.40 118.86 2wmh s VAL 477 Ca -0.10 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2wmh s VAL 477 Cb -0.04 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.69 2wmh s VAL 477 CO -0.00 0.26 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 2wmh s VAL 478 N 1.05 1.97 -0.18 2.92 1.01 -0.13 -0.66 120.40 126.38 2wmh s VAL 478 Ca -0.09 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 2wmh s VAL 478 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2wmh s VAL 478 CO -0.01 0.29 0.04 -0.75 0.00 0.00 0.00 175.10 174.68 2wmh s LYS 479 N 1.27 3.92 -0.48 2.72 2.20 0.24 -0.58 119.74 129.03 2wmh s LYS 479 Ca -0.00 -0.38 -0.19 0.00 -0.36 0.00 0.00 55.97 55.04 2wmh s LYS 479 Cb -0.16 -3.16 0.05 0.00 -1.51 0.00 0.00 37.83 33.05 2wmh s LYS 479 CO -0.09 0.27 0.58 -1.21 -0.36 0.00 0.00 175.35 174.53 2wmh s GLU 480 N 0.37 3.13 0.69 4.03 2.02 -0.19 -0.94 118.70 127.81 2wmh s GLU 480 Ca 0.02 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 54.12 2wmh s GLU 480 Cb -0.13 -4.05 0.05 0.00 0.10 0.00 0.00 34.13 30.10 2wmh s GLU 480 CO 0.01 -1.10 1.01 -0.80 0.02 0.00 0.00 175.26 174.40 2wmh s ASN 481 N 2.40 5.02 0.28 -0.19 0.02 -0.22 -4.88 114.94 117.36 2wmh s ASN 481 Ca 0.15 0.60 0.02 0.00 -1.02 0.00 0.00 52.86 52.60 2wmh s ASN 481 Cb -0.18 -1.33 0.61 0.00 0.02 0.00 0.00 41.25 40.37 2wmh s ASN 481 CO 0.13 -1.48 1.77 -0.65 0.02 0.00 0.00 177.10 176.89 2wmh h PRO 482 N -0.55 0.68 0.00 -0.60 0.11 -2.01 -3.29 132.00 126.34 2wmh h PRO 482 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wmh h PRO 482 Cb 1.30 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wmh h PRO 482 CO 0.61 0.45 -0.27 0.09 -0.21 0.00 0.00 178.00 178.68 2wmh n ASN 483 N -4.81 0.86 -3.60 -2.05 3.02 -1.26 -4.80 115.26 102.62 2wmh n ASN 483 Ca 0.19 -2.26 -0.11 0.00 -0.03 0.00 0.00 54.58 52.38 2wmh n ASN 483 Cb 0.47 -0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 2wmh n ASN 483 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wmh s ASN 484 N -1.51 -0.29 -0.14 6.41 2.20 -1.24 -5.05 114.94 115.32 2wmh s ASN 484 Ca 0.10 -0.26 -0.05 0.00 -0.94 0.00 0.00 52.86 51.71 2wmh s ASN 484 Cb 0.09 0.49 -0.04 0.00 -2.00 0.00 0.00 41.25 39.80 2wmh s ASN 484 CO 0.01 -0.87 0.03 -0.76 -2.94 0.00 0.00 177.10 172.57 2wmh s LEU 485 N -2.77 3.65 -0.20 3.54 1.43 -0.10 -1.06 118.68 123.17 2wmh s LEU 485 Ca 0.02 0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2wmh s LEU 485 Cb 0.01 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2wmh s LEU 485 CO -0.12 0.25 0.09 -2.28 0.23 0.00 0.00 176.35 174.52 2wmh s HIS 486 N -0.11 3.25 -0.13 0.29 5.65 -0.12 -1.41 115.29 122.71 2wmh s HIS 486 Ca 0.05 0.06 0.02 0.00 0.25 0.00 0.00 55.06 55.45 2wmh s HIS 486 Cb -0.12 -2.15 0.01 0.00 -1.18 0.00 0.00 32.58 29.14 2wmh s HIS 486 CO 0.02 0.08 -0.21 0.42 -0.65 0.00 0.00 174.74 174.40 2wmh s ILE 487 N 0.67 1.94 -0.18 0.89 1.01 0.12 -0.59 121.20 125.07 2wmh s ILE 487 Ca 0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 2wmh s ILE 487 Cb -0.13 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 2wmh s ILE 487 CO 0.01 0.53 -0.06 -0.22 0.00 0.00 0.00 174.94 175.20 2wmh s LEU 488 N 0.81 2.96 -0.05 2.97 2.96 0.17 -0.71 118.68 127.79 2wmh s LEU 488 Ca -0.08 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 2wmh s LEU 488 Cb -0.16 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 2wmh s LEU 488 CO -0.01 0.09 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.15 2wmh s LEU 489 N 0.82 2.40 -0.17 -0.68 1.43 0.68 -0.61 118.68 122.56 2wmh s LEU 489 Ca -0.02 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 2wmh s LEU 489 Cb -0.15 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.69 2wmh s LEU 489 CO 0.01 0.30 0.37 0.21 0.23 0.00 0.00 176.35 177.47 2wmh s ASN 490 N -0.47 -0.14 -0.10 2.29 3.84 -0.72 -0.89 114.94 118.75 2wmh s ASN 490 Ca 0.06 0.85 0.13 0.00 0.21 0.00 0.00 52.86 54.11 2wmh s ASN 490 Cb -0.12 1.05 0.24 0.00 -0.55 0.00 0.00 41.25 41.87 2wmh s ASN 490 CO 0.01 -0.22 1.12 -0.46 -2.79 0.00 0.00 177.10 174.76 2wmh n ASN 491 N 5.15 1.59 -4.68 -4.21 6.94 -1.07 -1.40 115.26 117.58 2wmh n ASN 491 Ca -0.11 -2.85 -0.47 0.00 -0.02 0.00 0.00 54.58 51.14 2wmh n ASN 491 Cb 0.51 -0.38 -0.04 0.00 -2.36 0.00 0.00 39.78 37.51 2wmh n ASN 491 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wmh n TYR 492 N -0.92 2.37 -3.50 -2.53 9.36 -1.26 -4.44 117.16 116.23 2wmh n TYR 492 Ca 0.12 -0.02 -0.07 0.00 3.32 0.00 0.00 57.90 61.24 2wmh n TYR 492 Cb 0.69 -2.67 -0.08 0.00 -0.63 0.00 0.00 39.34 36.65 2wmh n TYR 492 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2wmh s ARG 493 N 3.53 0.37 0.54 2.98 3.52 -1.26 -1.38 118.95 127.25 2wmh s ARG 493 Ca 0.89 0.88 -0.18 0.00 -0.13 0.00 0.00 55.73 57.19 2wmh s ARG 493 Cb -0.64 0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 32.78 2wmh s ARG 493 CO 0.47 -0.42 1.06 0.95 -0.81 0.00 0.00 175.30 176.55 2wmh s THR 494 N 2.63 3.71 -0.24 4.11 -4.23 -1.26 -4.85 115.64 115.51 2wmh s THR 494 Ca 0.05 0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 61.22 2wmh s THR 494 Cb -0.14 -3.39 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 2wmh s THR 494 CO -0.15 -0.35 1.38 -0.62 -0.54 0.00 0.00 174.62 174.35 2wmh s ASP 495 N -2.32 6.67 0.00 3.99 2.15 0.67 -4.90 116.67 122.93 2wmh s ASP 495 Ca 0.66 1.48 0.15 0.00 0.43 0.00 0.00 52.55 55.27 2wmh s ASP 495 Cb -0.17 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.46 2wmh s ASP 495 CO 0.29 -1.03 1.40 0.29 -0.17 0.00 0.00 175.17 175.94 2wmh n LYS 496 N 7.21 1.61 -0.13 4.34 4.76 -1.26 -4.42 118.16 130.27 2wmh n LYS 496 Ca 0.16 -0.93 -0.08 0.00 -2.87 0.00 0.00 58.31 54.58 2wmh n LYS 496 Cb 0.46 -1.30 -0.00 0.00 -1.84 0.00 0.00 35.03 32.34 2wmh n LYS 496 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2wmh h THR 497 N 1.69 1.14 -0.60 -0.18 2.02 -1.98 -2.04 112.91 112.96 2wmh h THR 497 Ca 0.00 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.89 2wmh h THR 497 Cb 0.38 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2wmh h THR 497 CO 0.00 0.14 0.35 0.00 0.37 0.00 0.00 175.52 176.38 2wmh h ALA 498 N 1.09 0.78 -0.51 6.16 0.00 -1.99 -0.48 119.26 124.30 2wmh h ALA 498 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wmh h ALA 498 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wmh h ALA 498 CO -0.02 0.06 0.24 1.98 0.00 0.00 0.00 179.25 181.50 2wmh h MET 499 N 0.68 0.74 0.00 0.00 -1.53 -1.80 -2.41 114.93 110.61 2wmh h MET 499 Ca 0.25 -0.12 0.00 0.00 -3.44 0.00 0.00 59.70 56.39 2wmh h MET 499 Cb 0.07 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 30.99 2wmh h MET 499 CO -0.12 0.63 0.00 -1.49 0.14 0.00 0.00 176.91 176.06 2wmh h TRP 500 N 0.68 0.00 -0.00 1.39 4.06 -0.60 -2.92 115.95 118.56 2wmh h TRP 500 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 2wmh h TRP 500 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 2wmh h TRP 500 CO -0.00 0.00 -0.34 0.00 -3.56 0.00 0.00 178.44 174.53 2wmh n ALA 501 N -1.92 3.20 -1.77 1.49 0.00 -0.27 -4.92 120.51 116.31 2wmh n ALA 501 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 2wmh n ALA 501 Cb 0.20 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2wmh n ALA 501 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wmh s LEU 502 N -2.88 4.14 0.58 0.00 1.43 -1.10 -5.03 118.68 115.82 2wmh s LEU 502 Ca 0.15 2.63 -0.15 0.00 -1.03 0.00 0.00 54.13 55.73 2wmh s LEU 502 Cb 0.18 -3.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 2wmh s LEU 502 CO 0.62 -0.95 1.03 -0.44 0.23 0.00 0.00 176.35 176.85 2wmh s SER 503 N -0.84 6.06 0.00 2.29 0.01 -1.26 -5.02 113.70 114.95 2wmh s SER 503 Ca 0.59 1.66 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2wmh s SER 503 Cb -0.37 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.35 2wmh s SER 503 CO 0.47 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2wmh n GLY 504 N -1.51 2.85 3.51 3.44 0.00 -1.26 -5.02 105.19 107.20 2wmh n GLY 504 Ca 0.08 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 2wmh n GLY 504 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wmh s ASN 505 N 0.00 6.14 -0.20 1.61 2.47 -1.26 -4.92 114.94 118.77 2wmh s ASN 505 Ca 0.00 -0.52 0.13 0.00 0.42 0.00 0.00 52.86 52.88 2wmh s ASN 505 Cb 0.00 -2.18 0.41 0.00 -1.45 0.00 0.00 41.25 38.03 2wmh s ASN 505 CO 0.00 -0.40 1.26 0.49 -3.72 0.00 0.00 177.10 174.73 2wmh n PHE 506 N 5.33 0.23 -1.80 0.43 3.72 -1.26 -4.89 117.46 119.21 2wmh n PHE 506 Ca -0.10 -1.37 -0.40 0.00 -0.05 0.00 0.00 57.45 55.53 2wmh n PHE 506 Cb 0.48 -0.27 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 2wmh n PHE 506 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2wmh s ASP 507 N -2.98 5.96 0.45 4.37 1.11 -1.26 -0.05 116.67 124.27 2wmh s ASP 507 Ca 0.38 2.94 0.31 0.00 0.18 0.00 0.00 52.55 56.35 2wmh s ASP 507 Cb 0.35 -2.66 1.57 0.00 1.07 0.00 0.00 42.92 43.26 2wmh s ASP 507 CO -0.03 -1.12 1.93 0.00 1.18 0.00 0.00 175.17 177.13 2wmh h ALA 508 N 2.44 1.00 0.00 5.23 0.00 -1.90 0.87 119.26 126.90 2wmh h ALA 508 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2wmh h ALA 508 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wmh h ALA 508 CO 0.62 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.74 2wmh n SER 509 N -2.61 0.00 -1.26 0.00 3.41 -1.26 -1.51 113.62 110.39 2wmh n SER 509 Ca -0.01 0.35 0.10 0.00 -0.26 0.00 0.00 58.87 59.04 2wmh n SER 509 Cb 0.10 -0.41 0.30 0.00 -0.26 0.00 0.00 64.21 63.95 2wmh n SER 509 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wmh n LYS 510 N -1.41 3.06 -1.65 4.33 4.76 0.30 -4.96 118.16 122.60 2wmh n LYS 510 Ca 0.03 -2.62 -0.45 0.00 -2.87 0.00 0.00 58.31 52.40 2wmh n LYS 510 Cb 0.09 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 2wmh n LYS 510 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2wmh n SER 511 N 1.19 2.41 -0.21 4.39 7.64 -0.57 -1.34 113.62 127.12 2wmh n SER 511 Ca 0.22 1.15 -0.03 0.00 1.01 0.00 0.00 58.87 61.23 2wmh n SER 511 Cb 0.67 -1.39 -0.01 0.00 -1.01 0.00 0.00 64.21 62.47 2wmh n SER 511 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2wmh n TRP 512 N 1.52 0.00 -4.77 1.43 5.03 -1.26 -4.99 117.44 114.39 2wmh n TRP 512 Ca 0.11 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.31 2wmh n TRP 512 Cb 0.31 -1.36 -0.07 0.00 -1.03 0.00 0.00 31.31 29.16 2wmh n TRP 512 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 2wmh s LYS 513 N -1.56 2.22 0.47 -0.99 1.02 -0.45 -5.03 119.74 115.42 2wmh s LYS 513 Ca 0.00 -2.43 0.16 0.00 0.02 0.00 0.00 55.97 53.72 2wmh s LYS 513 Cb 0.00 -1.46 1.12 0.00 -0.52 0.00 0.00 37.83 36.97 2wmh s LYS 513 CO 0.00 -0.41 2.04 -0.22 -0.92 0.00 0.00 175.35 175.84 2wmh h LYS 514 N 1.31 0.00 -0.32 1.68 3.11 -1.95 -2.03 116.57 118.38 2wmh h LYS 514 Ca -0.43 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.31 2wmh h LYS 514 Cb 1.32 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.54 2wmh h LYS 514 CO 0.72 0.13 -0.21 0.93 -2.81 0.00 0.00 179.45 178.21 2wmh h GLU 515 N 0.00 0.60 -0.45 1.90 3.07 -1.91 0.12 114.58 117.91 2wmh h GLU 515 Ca -0.00 -0.22 -0.04 0.00 -0.50 0.00 0.00 59.36 58.60 2wmh h GLU 515 Cb 0.24 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 2wmh h GLU 515 CO 0.02 0.77 0.14 1.49 -1.40 0.00 0.00 179.01 180.03 2wmh h GLU 516 N 0.53 0.71 -1.01 2.33 4.81 -1.42 -1.89 114.58 118.65 2wmh h GLU 516 Ca 0.08 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 2wmh h GLU 516 Cb 0.66 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 2wmh h GLU 516 CO 0.05 0.68 0.65 -0.07 -0.73 0.00 0.00 179.01 179.59 2wmh h LEU 517 N 0.60 1.02 -0.52 1.64 3.38 -1.20 -1.22 115.31 119.02 2wmh h LEU 517 Ca 0.15 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2wmh h LEU 517 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2wmh h LEU 517 CO -0.00 0.62 0.33 -0.33 0.09 0.00 0.00 178.44 179.15 2wmh h GLU 518 N 1.14 0.64 -0.72 1.13 5.08 -0.65 0.29 114.58 121.50 2wmh h GLU 518 Ca 0.45 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 2wmh h GLU 518 Cb 0.25 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2wmh h GLU 518 CO -0.20 0.43 0.40 1.25 -1.00 0.00 0.00 179.01 179.89 2wmh h LEU 519 N 0.66 0.89 -0.99 1.33 5.85 -1.01 -0.99 115.31 121.05 2wmh h LEU 519 Ca 0.20 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2wmh h LEU 519 Cb -0.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2wmh h LEU 519 CO -0.06 0.72 0.06 0.00 -0.34 0.00 0.00 178.44 178.82 2wmh h ALA 520 N 1.20 1.17 -0.38 1.25 0.00 -0.33 -1.00 119.26 121.17 2wmh h ALA 520 Ca 0.25 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2wmh h ALA 520 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wmh h ALA 520 CO -0.04 0.55 -0.12 -0.91 0.00 0.00 0.00 179.25 178.72 2wmh h ASN 521 N 0.75 0.76 -0.43 0.00 2.35 -0.05 -2.34 115.58 116.62 2wmh h ASN 521 Ca 0.16 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.55 2wmh h ASN 521 Cb 0.37 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2wmh h ASN 521 CO 0.01 0.97 0.24 -0.25 -1.65 0.00 0.00 177.43 176.74 2wmh h TRP 522 N 0.55 0.44 -0.68 1.19 7.01 -0.91 -2.74 115.95 120.80 2wmh h TRP 522 Ca 0.09 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.18 2wmh h TRP 522 Cb 0.65 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.51 2wmh h TRP 522 CO 0.05 0.24 0.36 0.82 -2.79 0.00 0.00 178.44 177.13 2wmh h ILE 523 N 0.47 0.92 0.00 2.65 2.04 -1.07 -0.21 117.51 122.31 2wmh h ILE 523 Ca 0.18 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2wmh h ILE 523 Cb 0.04 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2wmh h ILE 523 CO -0.10 0.12 -0.05 0.77 0.00 0.00 0.00 178.15 178.89 2wmh h SER 524 N 0.65 0.00 0.00 1.72 4.64 -1.12 -0.34 113.55 119.10 2wmh h SER 524 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2wmh h SER 524 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2wmh h SER 524 CO -0.22 0.05 -0.91 0.29 -0.87 0.00 0.00 176.83 175.17 2wmh n LYS 525 N -3.23 1.49 0.00 4.77 4.76 -0.82 -4.40 118.16 120.73 2wmh n LYS 525 Ca -0.01 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2wmh n LYS 525 Cb 0.26 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2wmh n LYS 525 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wmh n ASN 526 N -1.49 0.00 -0.25 4.39 3.02 -0.15 -4.63 115.26 116.15 2wmh n ASN 526 Ca 0.02 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.63 2wmh n ASN 526 Cb 0.28 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.62 2wmh n ASN 526 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2wmh h TYR 527 N 0.00 0.06 0.00 3.10 3.20 -1.67 0.33 116.97 121.99 2wmh h TYR 527 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2wmh h TYR 527 Cb 0.00 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2wmh h TYR 527 CO 0.00 -0.20 -0.18 0.77 -1.64 0.00 0.00 178.16 176.91 2wmh h SER 528 N 0.15 0.00 0.00 -2.11 0.02 -1.31 -2.83 113.55 107.46 2wmh h SER 528 Ca 0.42 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.18 2wmh h SER 528 Cb 0.75 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 2wmh h SER 528 CO -0.62 0.01 -1.69 -0.38 -1.14 0.00 0.00 176.83 173.00 2wmh n ILE 529 N -2.85 0.69 -2.97 3.27 5.41 -0.82 -4.75 119.36 117.34 2wmh n ILE 529 Ca 0.04 -0.38 -0.21 0.00 1.00 0.00 0.00 62.75 63.19 2wmh n ILE 529 Cb 0.51 -0.80 -0.02 0.00 -0.71 0.00 0.00 39.64 38.62 2wmh n ILE 529 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2wmh n ASN 530 N -2.52 2.70 -4.77 4.38 4.13 0.11 -5.04 115.26 114.25 2wmh n ASN 530 Ca -0.18 -3.31 -0.41 0.00 1.68 0.00 0.00 54.58 52.36 2wmh n ASN 530 Cb 0.80 -0.57 -0.01 0.00 -1.54 0.00 0.00 39.78 38.46 2wmh n ASN 530 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2wmh s PRO 531 N -3.02 4.10 -1.08 3.52 0.04 -1.07 -4.63 135.00 132.87 2wmh s PRO 531 Ca 0.43 2.59 -0.16 0.00 0.04 0.00 0.00 61.00 63.90 2wmh s PRO 531 Cb 0.34 -2.98 0.16 0.00 0.04 0.00 0.00 34.50 32.06 2wmh s PRO 531 CO -0.10 -0.58 1.28 0.08 0.04 0.00 0.00 177.00 177.72 2wmh s VAL 532 N -0.74 4.95 -0.11 -0.36 1.01 -1.26 -4.71 120.40 119.18 2wmh s VAL 532 Ca 0.56 -2.23 0.16 0.00 0.00 0.00 0.00 61.98 60.48 2wmh s VAL 532 Cb -0.47 -4.84 0.38 0.00 0.00 0.00 0.00 36.38 31.45 2wmh s VAL 532 CO 0.58 -1.55 1.18 -0.90 0.00 0.00 0.00 175.10 174.41 2wmh n ASP 533 N 5.88 1.38 -0.66 3.32 5.68 -1.26 -0.24 116.55 130.66 2wmh n ASP 533 Ca 0.31 -2.98 0.12 0.00 -0.50 0.00 0.00 54.79 51.73 2wmh n ASP 533 Cb 0.45 -0.41 0.18 0.00 -1.14 0.00 0.00 41.12 40.20 2wmh n ASP 533 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2wmh n ASN 534 N -0.48 2.22 -4.61 -1.12 5.03 -1.26 -4.75 115.26 110.30 2wmh n ASN 534 Ca 0.12 -1.64 -0.43 0.00 0.87 0.00 0.00 54.58 53.51 2wmh n ASN 534 Cb 0.85 0.15 -0.03 0.00 -1.02 0.00 0.00 39.78 39.73 2wmh n ASN 534 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2wmh s ASP 535 N -2.20 6.72 0.27 6.41 1.01 -1.26 -5.04 116.67 122.58 2wmh s ASP 535 Ca 0.27 0.66 -0.04 0.00 0.71 0.00 0.00 52.55 54.14 2wmh s ASP 535 Cb 0.20 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.60 2wmh s ASP 535 CO 0.41 -0.85 0.53 -0.36 0.21 0.00 0.00 175.17 175.11 2wmh s PHE 536 N 3.49 3.48 0.09 4.23 0.08 -1.26 -4.59 117.98 123.49 2wmh s PHE 536 Ca 0.39 0.60 0.05 0.00 0.12 0.00 0.00 56.93 58.09 2wmh s PHE 536 Cb -0.12 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2wmh s PHE 536 CO 0.18 0.21 -0.14 1.03 -0.10 0.00 0.00 175.22 176.40 2wmh s ARG 537 N -3.50 0.88 -0.18 0.44 0.52 -0.29 -4.81 118.95 112.01 2wmh s ARG 537 Ca 0.43 -1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 2wmh s ARG 537 Cb -0.11 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 2wmh s ARG 537 CO 0.30 0.17 0.05 0.99 0.02 0.00 0.00 175.30 176.82 2wmh s THR 538 N -1.65 4.63 -0.19 0.02 2.01 -1.26 -0.72 115.64 118.48 2wmh s THR 538 Ca 0.02 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2wmh s THR 538 Cb -0.08 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 2wmh s THR 538 CO 0.02 0.46 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.44 2wmh s THR 539 N 0.44 3.17 -0.21 -0.82 2.01 0.45 -4.33 115.64 116.34 2wmh s THR 539 Ca 0.02 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 2wmh s THR 539 Cb -0.13 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2wmh s THR 539 CO 0.01 0.47 0.02 -0.89 -0.69 0.00 0.00 174.62 173.54 2wmh s THR 540 N 1.08 4.11 -0.16 -0.82 2.01 -0.98 -0.81 115.64 120.07 2wmh s THR 540 Ca 0.00 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2wmh s THR 540 Cb -0.15 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2wmh s THR 540 CO -0.01 0.40 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.94 2wmh s LEU 541 N 1.14 2.44 -0.12 4.42 1.98 -0.06 -1.42 118.68 127.07 2wmh s LEU 541 Ca 0.03 -0.49 0.02 0.00 -2.89 0.00 0.00 54.13 50.80 2wmh s LEU 541 Cb -0.14 -1.56 0.02 0.00 0.66 0.00 0.00 46.19 45.16 2wmh s LEU 541 CO 0.02 0.07 -0.15 -0.89 -1.89 0.00 0.00 176.35 173.51 2wmh s THR 542 N 0.89 1.53 -0.32 3.68 2.01 -0.47 -0.23 115.64 122.73 2wmh s THR 542 Ca -0.04 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.23 2wmh s THR 542 Cb -0.15 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 70.98 2wmh s THR 542 CO -0.01 0.45 0.12 -0.76 -0.69 0.00 0.00 174.62 173.72 2wmh s LEU 543 N 1.05 4.16 -0.27 4.42 1.43 0.87 -0.44 118.68 129.90 2wmh s LEU 543 Ca -0.05 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.08 2wmh s LEU 543 Cb -0.15 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2wmh s LEU 543 CO -0.03 -0.26 0.27 -0.75 0.23 0.00 0.00 176.35 175.81 2wmh s LYS 544 N 1.50 3.98 -0.05 1.70 2.20 -0.24 -1.16 119.74 127.67 2wmh s LYS 544 Ca 0.02 -0.16 -0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2wmh s LYS 544 Cb -0.18 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2wmh s LYS 544 CO 0.04 -0.22 0.04 0.41 -0.36 0.00 0.00 175.35 175.26 2wmh n GLY 545 N 4.89 0.42 0.00 5.54 0.00 -0.57 -0.84 105.19 114.63 2wmh n GLY 545 Ca -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2wmh n GLY 545 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wmh n HIS 546 N -1.19 0.00 0.00 1.61 -0.00 -0.59 -2.31 115.22 112.75 2wmh n HIS 546 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2wmh n HIS 546 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2wmh n HIS 546 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2wmh n HIS 549 N -0.38 0.00 -1.61 1.57 1.44 -1.26 -4.56 115.22 110.42 2wmh n HIS 549 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 2wmh n HIS 549 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 2wmh n HIS 549 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2wmh s LYS 550 N 0.00 3.13 0.30 -1.40 2.20 -1.26 -4.89 119.74 117.83 2wmh s LYS 550 Ca 0.00 2.02 -0.27 0.00 -0.36 0.00 0.00 55.97 57.36 2wmh s LYS 550 Cb 0.00 -4.37 -0.14 0.00 -1.51 0.00 0.00 37.83 31.81 2wmh s LYS 550 CO 0.00 -2.10 0.79 -2.30 -0.36 0.00 0.00 175.35 171.38 2wmh n PRO 551 N 8.75 0.85 -3.57 4.03 -0.02 -1.26 -4.96 135.00 138.82 2wmh n PRO 551 Ca 0.30 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 2wmh n PRO 551 Cb 0.45 -1.58 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 2wmh n PRO 551 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wmh s GLN 552 N -1.45 2.83 0.60 -0.52 -1.52 -1.26 -5.08 119.66 113.27 2wmh s GLN 552 Ca 0.61 -2.33 -0.14 0.00 -1.95 0.00 0.00 55.36 51.55 2wmh s GLN 552 Cb -0.73 -3.97 -0.04 0.00 -0.22 0.00 0.00 33.01 28.06 2wmh s GLN 552 CO 0.59 -1.21 1.04 0.96 -0.25 0.00 0.00 175.29 176.41 2wmh s ILE 553 N 0.33 4.18 -0.22 1.08 -4.36 -1.26 -4.92 121.20 116.03 2wmh s ILE 553 Ca 0.15 0.90 -0.02 0.00 -0.26 0.00 0.00 60.65 61.42 2wmh s ILE 553 Cb -0.19 -3.55 0.01 0.00 1.25 0.00 0.00 42.46 39.99 2wmh s ILE 553 CO -0.04 -0.74 -0.09 0.21 0.24 0.00 0.00 174.94 174.52 2wmh s ASN 554 N -3.31 4.01 -0.01 4.36 3.84 -0.89 -5.00 114.94 117.93 2wmh s ASN 554 Ca 0.60 -0.61 0.04 0.00 0.21 0.00 0.00 52.86 53.10 2wmh s ASN 554 Cb -0.13 -1.65 -0.01 0.00 -0.55 0.00 0.00 41.25 38.91 2wmh s ASN 554 CO 0.42 -0.05 -0.14 -0.51 -2.79 0.00 0.00 177.10 174.03 2wmh s ILE 555 N 1.38 1.14 0.33 -5.21 2.07 -1.26 -0.86 121.20 118.79 2wmh s ILE 555 Ca 0.04 -0.62 -0.01 0.00 -1.41 0.00 0.00 60.65 58.65 2wmh s ILE 555 Cb -0.15 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.49 2wmh s ILE 555 CO -0.06 0.32 0.42 -0.94 -1.91 0.00 0.00 174.94 172.77 2wmh s SER 556 N -0.35 1.01 0.00 4.50 1.04 -0.21 -5.01 113.70 114.68 2wmh s SER 556 Ca 0.06 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2wmh s SER 556 Cb -0.06 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2wmh s SER 556 CO -0.01 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2wmh n GLY 557 N -0.56 -1.44 3.70 7.32 0.00 -1.26 -0.88 105.19 112.07 2wmh n GLY 557 Ca 0.02 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2wmh n GLY 557 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wmh n ASP 558 N 1.14 4.03 -4.64 1.61 8.00 -0.25 -4.85 116.55 121.59 2wmh n ASP 558 Ca 0.00 1.01 -0.47 0.00 0.71 0.00 0.00 54.79 56.05 2wmh n ASP 558 Cb 0.00 -1.56 -0.04 0.00 -0.02 0.00 0.00 41.12 39.51 2wmh n ASP 558 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2wmh n LYS 559 N 5.04 1.77 -1.28 -1.24 4.81 -1.26 -1.53 118.16 124.47 2wmh n LYS 559 Ca 0.17 0.63 -0.10 0.00 -0.87 0.00 0.00 58.31 58.15 2wmh n LYS 559 Cb 0.36 -2.28 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 2wmh n LYS 559 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wmh n ASN 560 N 2.48 -5.57 -0.52 3.14 5.03 -1.26 -4.84 115.26 113.72 2wmh n ASN 560 Ca 0.14 0.24 0.07 0.00 0.87 0.00 0.00 54.58 55.90 2wmh n ASN 560 Cb 0.28 -3.91 0.14 0.00 -1.02 0.00 0.00 39.78 35.27 2wmh n ASN 560 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wmh n HIS 561 N -2.25 0.00 -3.54 3.10 8.25 -0.58 -5.03 115.22 115.17 2wmh n HIS 561 Ca -0.10 -1.07 -0.16 0.00 -0.26 0.00 0.00 57.72 56.13 2wmh n HIS 561 Cb 0.55 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 2wmh n HIS 561 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2wmh s TYR 562 N -2.43 -0.59 0.20 4.41 -0.85 -1.26 -1.68 117.35 115.14 2wmh s TYR 562 Ca 0.32 1.04 0.01 0.00 -0.52 0.00 0.00 57.07 57.93 2wmh s TYR 562 Cb 0.31 0.41 -0.05 0.00 0.38 0.00 0.00 41.96 43.01 2wmh s TYR 562 CO -0.04 -0.53 0.04 0.95 -1.52 0.00 0.00 175.55 174.44 2wmh s THR 563 N -1.09 0.59 0.00 -3.49 -4.23 -0.21 -5.01 115.64 102.20 2wmh s THR 563 Ca -0.08 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 58.20 2wmh s THR 563 Cb -0.00 -2.27 0.06 0.00 1.34 0.00 0.00 72.50 71.62 2wmh s THR 563 CO 0.07 -0.33 0.55 -0.72 -0.54 0.00 0.00 174.62 173.66 2wmh s TYR 564 N -3.72 -0.48 0.08 3.99 -0.85 -1.26 -0.31 117.35 114.80 2wmh s TYR 564 Ca 0.28 0.70 0.10 0.00 -0.52 0.00 0.00 57.07 57.63 2wmh s TYR 564 Cb 0.07 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 2wmh s TYR 564 CO 0.07 -0.60 -0.26 0.95 -1.52 0.00 0.00 175.55 174.19 2wmh s THR 565 N -1.80 2.13 0.22 -3.49 -4.23 -0.33 -4.98 115.64 103.17 2wmh s THR 565 Ca -0.09 -1.53 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 2wmh s THR 565 Cb -0.01 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 2wmh s THR 565 CO 0.04 0.23 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.64 2wmh s GLU 566 N -1.59 2.04 -0.14 3.99 2.02 -1.26 -0.85 118.70 122.91 2wmh s GLU 566 Ca 0.12 -1.41 -0.07 0.00 0.02 0.00 0.00 54.97 53.63 2wmh s GLU 566 Cb -0.10 -2.08 0.06 0.00 0.10 0.00 0.00 34.13 32.11 2wmh s GLU 566 CO 0.04 0.39 0.33 1.21 0.02 0.00 0.00 175.26 177.25 2wmh s ASN 567 N -3.19 -0.33 -0.09 -0.19 3.84 0.33 -4.98 114.94 110.32 2wmh s ASN 567 Ca 0.27 0.72 0.03 0.00 0.21 0.00 0.00 52.86 54.09 2wmh s ASN 567 Cb -0.07 0.64 0.01 0.00 -0.55 0.00 0.00 41.25 41.28 2wmh s ASN 567 CO 0.16 -0.19 -0.16 0.86 -2.79 0.00 0.00 177.10 174.98 2wmh s TRP 568 N 1.48 1.90 -0.38 0.43 -0.11 -1.26 -0.12 118.94 120.88 2wmh s TRP 568 Ca -0.08 -0.79 -0.05 0.00 1.22 0.00 0.00 56.10 56.40 2wmh s TRP 568 Cb -0.10 -1.34 0.08 0.00 -1.50 0.00 0.00 33.47 30.61 2wmh s TRP 568 CO -0.11 -0.37 0.17 0.34 -4.62 0.00 0.00 176.95 172.36 2wmh s ASP 569 N 0.67 5.34 0.46 5.86 -1.08 0.01 -4.98 116.67 122.95 2wmh s ASP 569 Ca -0.13 -1.59 0.21 0.00 -0.52 0.00 0.00 52.55 50.52 2wmh s ASP 569 Cb -0.16 -1.87 1.12 0.00 -1.46 0.00 0.00 42.92 40.55 2wmh s ASP 569 CO 0.04 -0.46 1.96 1.05 0.52 0.00 0.00 175.17 178.28 2wmh h GLU 570 N 8.20 0.00 -0.06 4.34 9.09 -1.96 0.37 114.58 134.55 2wmh h GLU 570 Ca -0.19 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 58.99 2wmh h GLU 570 Cb 1.07 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.18 2wmh h GLU 570 CO 0.68 0.21 -0.89 -0.91 0.05 0.00 0.00 179.01 178.15 2wmh h ASN 571 N 0.00 0.76 -0.01 3.06 4.21 -1.97 -3.28 115.58 118.35 2wmh h ASN 571 Ca -0.00 -0.56 0.00 0.00 1.21 0.00 0.00 56.30 56.95 2wmh h ASN 571 Cb 0.47 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 2wmh h ASN 571 CO 0.03 1.35 -0.59 0.35 -1.29 0.00 0.00 177.43 177.27 2wmh n THR 572 N -3.85 0.00 -3.69 2.81 -2.24 -1.10 -4.96 114.28 101.25 2wmh n THR 572 Ca -0.08 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.23 2wmh n THR 572 Cb 0.80 1.19 0.04 0.00 -2.10 0.00 0.00 70.33 70.26 2wmh n THR 572 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wmh n HIS 573 N -0.36 -2.35 -3.70 4.78 8.25 0.12 -4.15 115.22 117.82 2wmh n HIS 573 Ca 0.08 0.84 -0.36 0.00 -0.26 0.00 0.00 57.72 58.02 2wmh n HIS 573 Cb 0.44 -4.17 -0.10 0.00 1.12 0.00 0.00 29.99 27.28 2wmh n HIS 573 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wmh s VAL 574 N -3.25 5.19 -0.16 1.59 1.01 -0.96 -1.51 120.40 122.31 2wmh s VAL 574 Ca 0.58 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 2wmh s VAL 574 Cb -0.28 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2wmh s VAL 574 CO 0.72 0.34 -0.06 -0.47 0.00 0.00 0.00 175.10 175.64 2wmh s TYR 575 N 1.14 2.96 -0.11 5.22 5.04 -0.31 -0.81 117.35 130.48 2wmh s TYR 575 Ca 0.07 -0.50 0.03 0.00 -2.44 0.00 0.00 57.07 54.23 2wmh s TYR 575 Cb -0.14 -1.97 -0.00 0.00 0.35 0.00 0.00 41.96 40.20 2wmh s TYR 575 CO 0.05 -0.18 -0.22 0.99 -1.34 0.00 0.00 175.55 174.84 2wmh s THR 576 N 0.60 2.20 -0.14 4.34 2.01 0.83 -0.09 115.64 125.40 2wmh s THR 576 Ca -0.04 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.00 2wmh s THR 576 Cb -0.15 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 2wmh s THR 576 CO 0.03 0.55 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.84 2wmh s ILE 577 N 0.36 2.66 -0.35 1.82 2.07 0.68 -0.52 121.20 127.93 2wmh s ILE 577 Ca -0.17 -0.78 -0.10 0.00 -1.41 0.00 0.00 60.65 58.19 2wmh s ILE 577 Cb -0.18 -2.11 0.02 0.00 0.13 0.00 0.00 42.46 40.33 2wmh s ILE 577 CO 0.08 0.53 0.17 -0.89 -1.91 0.00 0.00 174.94 172.91 2wmh s THR 578 N 0.61 4.39 -0.22 4.00 2.01 -0.03 -0.88 115.64 125.51 2wmh s THR 578 Ca -0.09 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 2wmh s THR 578 Cb -0.16 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2wmh s THR 578 CO 0.03 -0.14 0.00 -0.69 -0.69 0.00 0.00 174.62 173.13 2wmh s VAL 579 N 1.53 3.80 -0.30 3.82 1.01 0.01 -1.18 120.40 129.10 2wmh s VAL 579 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2wmh s VAL 579 Cb -0.19 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2wmh s VAL 579 CO 0.06 0.40 0.20 0.20 0.00 0.00 0.00 175.10 175.95 2wmh s ASN 580 N 1.41 5.99 0.10 3.32 -0.87 0.58 -0.41 114.94 125.06 2wmh s ASN 580 Ca 0.05 -0.16 -0.14 0.00 -1.57 0.00 0.00 52.86 51.04 2wmh s ASN 580 Cb -0.15 -2.12 0.03 0.00 -0.02 0.00 0.00 41.25 39.00 2wmh s ASN 580 CO 0.00 -0.11 0.35 -1.38 -2.57 0.00 0.00 177.10 173.39 2wmh s HIS 581 N 1.74 -0.12 -0.37 2.20 -3.43 0.10 -1.05 115.29 114.36 2wmh s HIS 581 Ca 0.07 -0.18 0.01 0.00 -0.80 0.00 0.00 55.06 54.15 2wmh s HIS 581 Cb -0.16 0.17 0.14 0.00 -1.43 0.00 0.00 32.58 31.30 2wmh s HIS 581 CO 0.10 -0.64 0.22 1.21 -2.00 0.00 0.00 174.74 173.63 2wmh s ASN 582 N -2.69 3.16 0.00 7.38 3.84 -0.68 -1.14 114.94 124.81 2wmh s ASN 582 Ca 0.02 -2.28 0.00 0.00 0.21 0.00 0.00 52.86 50.81 2wmh s ASN 582 Cb 0.02 -0.57 0.00 0.00 -0.55 0.00 0.00 41.25 40.15 2wmh s ASN 582 CO -0.10 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 174.52 2wmh n GLY 583 N 3.94 0.86 3.80 1.21 0.00 -1.26 -4.79 105.19 108.94 2wmh n GLY 583 Ca 0.11 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 2wmh n GLY 583 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wmh s MET 584 N -1.60 4.33 -0.02 1.61 1.75 -1.26 -2.59 119.30 121.52 2wmh s MET 584 Ca 0.00 0.88 0.02 0.00 -1.25 0.00 0.00 55.69 55.33 2wmh s MET 584 Cb 0.00 -3.25 0.01 0.00 2.84 0.00 0.00 34.83 34.42 2wmh s MET 584 CO 0.00 0.60 -0.05 0.08 -0.65 0.00 0.00 175.02 175.00 2wmh s VAL 585 N -1.05 0.47 -0.01 10.11 1.01 -0.07 -1.10 120.40 129.76 2wmh s VAL 585 Ca 0.31 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.15 2wmh s VAL 585 Cb -0.21 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 2wmh s VAL 585 CO 0.21 0.16 -0.16 -1.61 0.00 0.00 0.00 175.10 173.71 2wmh s GLU 586 N 0.25 1.27 0.03 2.72 2.02 -0.06 -0.23 118.70 124.70 2wmh s GLU 586 Ca -0.03 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.39 2wmh s GLU 586 Cb -0.07 -1.23 -0.02 0.00 0.10 0.00 0.00 34.13 32.91 2wmh s GLU 586 CO -0.00 0.34 -0.05 -1.64 0.02 0.00 0.00 175.26 173.93 2wmh s MET 587 N -0.40 0.42 -0.10 1.61 -1.94 0.11 -1.04 119.30 117.96 2wmh s MET 587 Ca 0.06 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 2wmh s MET 587 Cb -0.06 -0.01 0.00 0.00 2.01 0.00 0.00 34.83 36.77 2wmh s MET 587 CO -0.01 -0.02 -0.23 0.45 -0.01 0.00 0.00 175.02 175.20 2wmh s SER 588 N -1.66 3.03 0.00 3.03 0.15 -0.04 -0.70 113.70 117.50 2wmh s SER 588 Ca -0.11 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 55.98 2wmh s SER 588 Cb -0.08 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2wmh s SER 588 CO -0.01 0.14 0.35 -0.38 1.20 0.00 0.00 173.24 174.54