#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jww n PRO 68 N 0.00 2.41 -0.69 1.61 -0.02 -1.26 -4.91 135.00 132.14 3jww n PRO 68 Ca 0.00 0.86 -0.08 0.00 -2.02 0.00 0.00 63.50 62.26 3jww n PRO 68 Cb 0.00 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 30.74 3jww n PRO 68 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3jww n LYS 69 N 2.83 1.38 -3.87 -0.52 4.76 -1.26 -4.77 118.16 116.71 3jww n LYS 69 Ca 0.13 -0.68 -0.10 0.00 -2.87 0.00 0.00 58.31 54.79 3jww n LYS 69 Cb 0.33 -1.82 -0.09 0.00 -1.84 0.00 0.00 35.03 31.61 3jww n LYS 69 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3jww s PHE 70 N 1.55 0.11 0.03 2.13 0.40 -1.26 -5.11 117.98 115.83 3jww s PHE 70 Ca 0.45 -0.37 -0.37 0.00 -0.60 0.00 0.00 56.93 56.04 3jww s PHE 70 Cb 0.22 -0.07 -0.16 0.00 0.51 0.00 0.00 43.02 43.51 3jww s PHE 70 CO 0.00 -0.41 1.44 -2.30 0.70 0.00 0.00 175.22 174.64 3jww n PRO 71 N 0.67 1.26 -3.55 0.24 -0.02 -1.26 -4.75 135.00 127.59 3jww n PRO 71 Ca -0.19 0.46 -0.38 0.00 -2.02 0.00 0.00 63.50 61.37 3jww n PRO 71 Cb 0.59 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 3jww n PRO 71 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3jww s ARG 72 N 1.08 3.89 -0.04 -0.52 3.52 -1.26 -1.46 118.95 124.16 3jww s ARG 72 Ca 0.86 0.32 0.01 0.00 -0.13 0.00 0.00 55.73 56.79 3jww s ARG 72 Cb -0.94 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 29.23 3jww s ARG 72 CO 0.49 0.65 -0.03 0.08 -0.81 0.00 0.00 175.30 175.67 3jww s VAL 73 N -0.88 0.46 0.02 7.11 1.01 0.37 -4.99 120.40 123.50 3jww s VAL 73 Ca 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3jww s VAL 73 Cb -0.16 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3jww s VAL 73 CO 0.11 0.21 -0.13 -0.75 0.00 0.00 0.00 175.10 174.54 3jww s LYS 74 N 0.98 0.90 -0.36 2.72 2.20 -1.26 -0.88 119.74 124.04 3jww s LYS 74 Ca -0.10 -0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 54.79 3jww s LYS 74 Cb -0.14 -0.88 0.05 0.00 -1.51 0.00 0.00 37.83 35.35 3jww s LYS 74 CO -0.00 0.22 0.13 1.21 -0.36 0.00 0.00 175.35 176.55 3jww s ASN 75 N -0.90 5.37 0.14 1.43 3.84 -0.83 -0.79 114.94 123.19 3jww s ASN 75 Ca 0.02 -1.25 0.23 0.00 0.21 0.00 0.00 52.86 52.07 3jww s ASN 75 Cb -0.07 -1.89 0.89 0.00 -0.55 0.00 0.00 41.25 39.64 3jww s ASN 75 CO 0.01 -0.37 1.70 0.79 -2.79 0.00 0.00 177.10 176.43 3jww n TRP 76 N 4.82 0.51 -0.01 0.43 7.02 0.23 -0.20 117.44 130.23 3jww n TRP 76 Ca -0.11 0.18 -0.16 0.00 -1.02 0.00 0.00 57.50 56.38 3jww n TRP 76 Cb 0.44 -0.79 -0.11 0.00 -2.42 0.00 0.00 31.31 28.43 3jww n TRP 76 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3jww h GLU 77 N 0.00 0.32 0.00 -0.99 4.81 -1.94 -3.38 114.58 113.40 3jww h GLU 77 Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3jww h GLU 77 Cb 0.44 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3jww h GLU 77 CO 0.00 1.03 -1.14 1.28 -0.73 0.00 0.00 179.01 179.45 3jww n LEU 78 N -4.33 0.60 0.00 1.64 4.77 -1.07 -4.99 117.00 113.61 3jww n LEU 78 Ca -0.10 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3jww n LEU 78 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3jww n LEU 78 CO 0.44 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3jww n GLY 79 N 1.43 0.72 3.81 -0.72 0.00 0.72 -5.03 105.19 106.12 3jww n GLY 79 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3jww n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jww s SER 80 N -2.43 6.92 -0.01 1.61 1.04 -1.23 -4.87 113.70 114.73 3jww s SER 80 Ca 0.00 1.73 0.07 0.00 0.48 0.00 0.00 55.95 58.23 3jww s SER 80 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 3jww s SER 80 CO 0.00 -0.37 -0.23 -0.63 0.98 0.00 0.00 173.24 172.98 3jww s ILE 81 N -2.11 1.85 0.15 -1.02 -1.09 -1.26 -1.97 121.20 115.74 3jww s ILE 81 Ca 0.61 -1.05 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3jww s ILE 81 Cb -0.11 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.19 3jww s ILE 81 CO 0.15 0.48 0.07 0.42 -1.23 0.00 0.00 174.94 174.83 3jww s THR 82 N -0.59 0.08 -0.07 2.92 -4.23 -0.06 -4.98 115.64 108.71 3jww s THR 82 Ca 0.09 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 3jww s THR 82 Cb -0.09 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 3jww s THR 82 CO -0.00 -0.36 -0.25 -0.31 -0.54 0.00 0.00 174.62 173.15 3jww s TYR 83 N -4.07 2.46 -0.44 3.99 1.51 -1.26 -0.48 117.35 119.06 3jww s TYR 83 Ca 0.27 -0.78 -0.22 0.00 -1.01 0.00 0.00 57.07 55.33 3jww s TYR 83 Cb 0.07 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 3jww s TYR 83 CO 0.04 -0.25 0.74 0.34 -1.11 0.00 0.00 175.55 175.31 3jww s ASP 84 N -0.07 6.39 -0.00 2.29 -1.08 -0.54 -4.72 116.67 118.94 3jww s ASP 84 Ca -0.06 -0.16 0.21 0.00 -0.52 0.00 0.00 52.55 52.02 3jww s ASP 84 Cb -0.15 -2.37 -0.25 0.00 -1.46 0.00 0.00 42.92 38.70 3jww s ASP 84 CO 0.05 -0.87 0.83 0.35 0.52 0.00 0.00 175.17 176.05 3jww n THR 85 N 6.04 0.00 0.09 1.71 -2.24 0.67 -4.13 114.28 116.41 3jww n THR 85 Ca 0.01 -0.08 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 3jww n THR 85 Cb 0.48 0.83 0.19 0.00 -2.10 0.00 0.00 70.33 69.73 3jww n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jww h LEU 86 N 0.00 0.27 -1.87 3.22 5.85 -1.55 -3.13 115.31 118.10 3jww h LEU 86 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3jww h LEU 86 Cb 0.58 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3jww h LEU 86 CO 0.00 0.70 0.17 0.00 -0.34 0.00 0.00 178.44 178.97 3jww n ALA 88 N -1.84 1.59 0.61 0.00 0.00 -1.18 -2.61 120.51 117.08 3jww n ALA 88 Ca -0.02 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3jww n ALA 88 Cb 0.22 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.54 3jww n ALA 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jww n GLN 89 N -1.85 0.26 -1.66 0.00 1.13 -0.07 -4.93 117.38 110.27 3jww n GLN 89 Ca 0.02 0.06 -0.43 0.00 -1.94 0.00 0.00 57.00 54.71 3jww n GLN 89 Cb 0.18 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 3jww n GLN 89 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3jww n SER 90 N -2.03 3.99 -0.73 1.08 2.88 -1.07 -4.90 113.62 112.84 3jww n SER 90 Ca 0.03 0.89 0.12 0.00 -1.33 0.00 0.00 58.87 58.59 3jww n SER 90 Cb 0.43 -1.49 0.17 0.00 -0.75 0.00 0.00 64.21 62.56 3jww n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3jww n GLN 91 N 7.40 1.87 -5.12 -1.46 1.13 -1.26 -4.94 117.38 115.01 3jww n GLN 91 Ca 0.21 -1.46 -0.29 0.00 -1.94 0.00 0.00 57.00 53.52 3jww n GLN 91 Cb 0.38 -1.47 -0.16 0.00 0.11 0.00 0.00 30.24 29.11 3jww n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3jww s GLN 92 N -2.14 1.99 0.04 -1.09 2.00 -1.26 -5.13 119.66 114.07 3jww s GLN 92 Ca 0.27 -0.80 -0.20 0.00 -2.00 0.00 0.00 55.36 52.63 3jww s GLN 92 Cb 0.20 -1.83 -0.06 0.00 0.80 0.00 0.00 33.01 32.11 3jww s GLN 92 CO 0.38 0.43 0.60 -0.51 -0.50 0.00 0.00 175.29 175.69 3jww s ASP 93 N -0.37 7.04 0.00 6.67 1.01 -1.26 -4.46 116.67 125.31 3jww s ASP 93 Ca 0.04 1.24 0.00 0.00 0.71 0.00 0.00 52.55 54.54 3jww s ASP 93 Cb -0.10 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.45 3jww s ASP 93 CO 0.01 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.17 3jww n GLY 94 N 2.10 0.47 0.66 0.21 0.00 -1.26 -5.03 105.19 102.34 3jww n GLY 94 Ca -0.08 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.33 3jww n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jww n PRO 95 N 0.00 1.73 -2.16 1.61 -0.04 -1.26 -5.00 135.00 129.87 3jww n PRO 95 Ca 0.00 -1.69 -0.28 0.00 -0.04 0.00 0.00 63.50 61.49 3jww n PRO 95 Cb 0.00 -1.30 0.03 0.00 -0.04 0.00 0.00 33.50 32.20 3jww n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jww s THR 97 N -3.14 0.04 0.34 0.00 -4.23 -1.01 -5.01 115.64 102.62 3jww s THR 97 Ca 0.55 -0.69 0.13 0.00 -1.18 0.00 0.00 61.69 60.51 3jww s THR 97 Cb -0.11 -1.43 0.35 0.00 1.34 0.00 0.00 72.50 72.65 3jww s THR 97 CO 0.48 -0.17 1.61 -0.65 -0.54 0.00 0.00 174.62 175.35 3jww h PRO 98 N 2.24 0.10 -0.24 3.99 0.11 -2.05 -1.67 132.00 134.48 3jww h PRO 98 Ca -0.31 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.63 3jww h PRO 98 Cb 1.26 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jww h PRO 98 CO 0.40 0.07 -0.54 -0.09 -0.21 0.00 0.00 178.00 177.63 3jww h ARG 99 N 0.11 0.71 -2.36 1.05 2.43 -2.03 -3.46 114.38 110.83 3jww h ARG 99 Ca 0.73 -0.44 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3jww h ARG 99 Cb 1.76 0.05 -0.24 0.00 -0.42 0.00 0.00 29.97 31.13 3jww h ARG 99 CO -0.75 1.06 -0.14 -0.98 -1.51 0.00 0.00 179.97 177.66 3jww s ARG 100 N -4.07 0.55 -0.01 0.20 3.03 -0.63 -5.14 118.95 112.88 3jww s ARG 100 Ca -0.09 0.95 -0.30 0.00 2.03 0.00 0.00 55.73 58.32 3jww s ARG 100 Cb 0.11 0.09 -0.04 0.00 -1.03 0.00 0.00 34.95 34.08 3jww s ARG 100 CO 0.86 -0.14 1.17 0.00 -1.13 0.00 0.00 175.30 176.06 3jww n LEU 102 N 4.65 3.86 -0.06 0.00 7.94 -1.26 -4.82 117.00 127.31 3jww n LEU 102 Ca 0.10 -4.21 0.12 0.00 -1.11 0.00 0.00 56.01 50.91 3jww n LEU 102 Cb 0.47 -0.18 0.22 0.00 0.53 0.00 0.00 43.42 44.46 3jww n LEU 102 CO 0.55 1.75 0.43 0.61 -1.11 0.00 0.00 177.39 179.62 3jww n GLY 103 N -0.69 -1.06 0.78 -3.96 0.00 -1.26 -2.95 105.19 96.05 3jww n GLY 103 Ca 0.32 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3jww n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jww n SER 104 N -1.30 2.34 -4.71 1.61 3.41 -1.26 -4.91 113.62 108.80 3jww n SER 104 Ca 0.07 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.44 3jww n SER 104 Cb 0.34 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 3jww n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jww s LEU 105 N -1.56 4.36 -0.02 1.04 2.01 -1.15 -4.97 118.68 118.40 3jww s LEU 105 Ca 0.34 1.50 -0.24 0.00 0.01 0.00 0.00 54.13 55.75 3jww s LEU 105 Cb 0.19 -3.40 -0.17 0.00 0.01 0.00 0.00 46.19 42.83 3jww s LEU 105 CO 0.28 -0.19 1.13 0.58 1.01 0.00 0.00 176.35 179.16 3jww h VAL 106 N 4.71 0.92 -4.18 -1.59 2.07 -1.91 -3.42 116.25 112.85 3jww h VAL 106 Ca -0.41 -0.90 -0.69 0.00 0.82 0.00 0.00 66.70 65.51 3jww h VAL 106 Cb 1.21 1.43 -0.30 0.00 -1.52 0.00 0.00 31.29 32.10 3jww h VAL 106 CO 0.75 0.19 -0.88 -0.76 0.02 0.00 0.00 177.57 176.89 3jww s LEU 107 N -9.27 2.11 0.09 2.57 1.43 -1.26 -5.14 118.68 109.21 3jww s LEU 107 Ca -0.14 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 52.57 3jww s LEU 107 Cb 0.01 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 3jww s LEU 107 CO 0.55 0.27 -0.24 -2.16 0.23 0.00 0.00 176.35 175.00 3jww s PRO 108 N -0.32 1.40 0.50 1.29 0.05 -1.26 -5.19 135.00 131.47 3jww s PRO 108 Ca 0.01 -1.20 -0.21 0.00 0.05 0.00 0.00 61.00 59.66 3jww s PRO 108 Cb -0.13 -1.73 -0.07 0.00 0.05 0.00 0.00 34.50 32.62 3jww s PRO 108 CO 0.02 0.42 1.10 0.50 0.05 0.00 0.00 177.00 179.09 3jww s ARG 109 N -1.74 3.64 0.00 4.56 6.06 -1.26 -5.06 118.95 125.15 3jww s ARG 109 Ca 0.11 1.54 0.00 0.00 -2.50 0.00 0.00 55.73 54.87 3jww s ARG 109 Cb -0.10 -2.14 0.00 0.00 0.06 0.00 0.00 34.95 32.77 3jww s ARG 109 CO 0.04 -0.60 0.00 0.00 -2.50 0.00 0.00 175.30 172.25 3jww n ALA 122 N -0.96 0.00 0.28 6.12 0.00 -1.26 -5.15 120.51 119.54 3jww n ALA 122 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.69 3jww n ALA 122 Cb 0.51 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.73 3jww n ALA 122 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3jww h GLU 123 N 0.00 0.00 -0.41 0.00 3.07 -2.01 0.12 114.58 115.35 3jww h GLU 123 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3jww h GLU 123 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3jww h GLU 123 CO 0.00 0.07 -0.03 0.37 -1.40 0.00 0.00 179.01 178.03 3jww h GLN 124 N 0.00 0.67 -0.01 2.33 5.75 -2.04 -2.31 115.11 119.50 3jww h GLN 124 Ca -0.00 -0.18 -0.18 0.00 -0.15 0.00 0.00 58.65 58.14 3jww h GLN 124 Cb 0.39 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 28.88 3jww h GLN 124 CO 0.01 0.71 -0.71 1.25 -2.65 0.00 0.00 178.83 177.43 3jww h LEU 125 N 0.63 0.65 0.03 -2.39 6.46 -1.25 -3.18 115.31 116.26 3jww h LEU 125 Ca 0.12 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 3jww h LEU 125 Cb 0.44 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3jww h LEU 125 CO 0.02 1.30 -0.03 -0.07 -0.62 0.00 0.00 178.44 179.04 3jww h LEU 126 N 0.05 -0.09 -1.24 2.25 -0.00 -1.14 0.21 115.31 115.35 3jww h LEU 126 Ca -0.09 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.75 3jww h LEU 126 Cb 1.41 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 42.08 3jww h LEU 126 CO 0.14 -0.05 -0.04 0.77 -0.00 0.00 0.00 178.44 179.26 3jww h SER 127 N -0.08 0.44 -0.14 -0.43 4.64 -1.53 0.38 113.55 116.83 3jww h SER 127 Ca 0.00 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 3jww h SER 127 Cb 0.08 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3jww h SER 127 CO -0.01 0.54 -0.19 1.56 -0.87 0.00 0.00 176.83 177.85 3jww h GLN 128 N 0.45 0.38 -0.12 4.77 4.20 -1.45 -2.93 115.11 120.41 3jww h GLN 128 Ca 0.09 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.62 3jww h GLN 128 Cb 0.35 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3jww h GLN 128 CO 0.01 0.80 -0.13 0.00 -0.67 0.00 0.00 178.83 178.84 3jww h ALA 129 N 0.58 -0.04 0.00 3.87 0.00 0.45 -1.90 119.26 122.21 3jww h ALA 129 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3jww h ALA 129 Cb 0.75 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3jww h ALA 129 CO 0.05 -0.58 -0.00 0.00 0.00 0.00 0.00 179.25 178.71 3jww h ARG 130 N -0.16 0.00 0.11 0.00 3.08 -0.28 -0.62 114.38 116.52 3jww h ARG 130 Ca 0.09 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.83 3jww h ARG 130 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3jww h ARG 130 CO -0.21 0.00 -1.54 0.22 -1.07 0.00 0.00 179.97 177.36 3jww h ASP 131 N 0.00 0.37 -0.22 7.04 3.58 -1.29 -1.88 116.42 124.03 3jww h ASP 131 Ca -0.00 -0.53 -0.02 0.00 0.42 0.00 0.00 57.03 56.91 3jww h ASP 131 Cb 0.00 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 3jww h ASP 131 CO 0.00 1.44 0.07 0.15 -2.88 0.00 0.00 179.24 178.02 3jww h PHE 132 N 0.06 0.34 -0.66 0.28 3.57 -0.47 -1.42 116.94 118.65 3jww h PHE 132 Ca -0.25 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.25 3jww h PHE 132 Cb 2.01 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.61 3jww h PHE 132 CO 0.06 0.40 0.41 0.82 -2.23 0.00 0.00 178.31 177.77 3jww h ILE 133 N 0.18 1.09 -0.82 1.41 1.08 -1.10 0.12 117.51 119.47 3jww h ILE 133 Ca 0.07 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 3jww h ILE 133 Cb 0.22 0.21 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 3jww h ILE 133 CO -0.00 0.15 0.48 0.78 -0.69 0.00 0.00 178.15 178.86 3jww h ASN 134 N 0.81 1.00 -0.74 1.72 2.35 -1.29 -0.39 115.58 119.03 3jww h ASN 134 Ca 0.26 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3jww h ASN 134 Cb 0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 3jww h ASN 134 CO -0.10 0.78 0.24 1.56 -1.65 0.00 0.00 177.43 178.25 3jww h GLN 135 N 1.14 1.14 0.91 0.81 4.20 -0.19 -2.04 115.11 121.09 3jww h GLN 135 Ca 0.29 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3jww h GLN 135 Cb -0.02 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.60 3jww h GLN 135 CO -0.05 0.97 -0.44 -0.92 -0.67 0.00 0.00 178.83 177.72 3jww h TYR 136 N 1.09 -1.14 -0.51 2.96 3.20 0.13 -1.78 116.97 120.93 3jww h TYR 136 Ca 0.24 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.20 3jww h TYR 136 Cb 0.30 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 3jww h TYR 136 CO 0.02 -0.71 0.35 1.88 -1.64 0.00 0.00 178.16 178.07 3jww h TYR 137 N -1.26 0.20 -0.07 -3.82 0.05 -1.15 -1.35 116.97 109.57 3jww h TYR 137 Ca -0.13 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.51 3jww h TYR 137 Cb 0.94 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 3jww h TYR 137 CO -0.01 0.09 -0.63 0.77 -1.05 0.00 0.00 178.16 177.33 3jww h SER 138 N 0.18 0.31 0.84 3.88 0.02 -1.15 0.19 113.55 117.81 3jww h SER 138 Ca 0.24 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 3jww h SER 138 Cb 0.70 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3jww h SER 138 CO -0.04 0.86 -0.34 0.77 -1.14 0.00 0.00 176.83 176.95 3jww h SER 139 N 0.20 0.00 -0.49 3.07 4.64 -0.35 -2.49 113.55 118.12 3jww h SER 139 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3jww h SER 139 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3jww h SER 139 CO 0.10 0.34 0.00 2.30 -0.87 0.00 0.00 176.83 178.70 3jww n ILE 140 N -3.52 1.66 -3.56 0.95 -5.35 -1.11 -4.99 119.36 103.43 3jww n ILE 140 Ca -0.00 -1.28 -0.23 0.00 -0.27 0.00 0.00 62.75 60.97 3jww n ILE 140 Cb 0.48 0.17 0.08 0.00 -1.74 0.00 0.00 39.64 38.63 3jww n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jww n LYS 141 N 0.66 -7.70 -0.70 6.28 4.76 -0.82 -4.90 118.16 115.74 3jww n LYS 141 Ca 0.21 0.82 0.06 0.00 -2.87 0.00 0.00 58.31 56.52 3jww n LYS 141 Cb 0.75 -5.82 0.13 0.00 -1.84 0.00 0.00 35.03 28.25 3jww n LYS 141 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jww n ARG 142 N -4.84 0.99 -2.19 1.97 5.12 0.59 -5.01 116.66 113.29 3jww n ARG 142 Ca -0.02 -2.62 -0.43 0.00 -1.93 0.00 0.00 57.85 52.85 3jww n ARG 142 Cb 0.57 -1.10 -0.02 0.00 -1.16 0.00 0.00 32.46 30.75 3jww n ARG 142 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3jww s SER 143 N -2.65 6.79 0.00 0.55 0.15 -1.21 -2.01 113.70 115.32 3jww s SER 143 Ca 0.32 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.97 3jww s SER 143 Cb 0.32 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 3jww s SER 143 CO -0.07 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.13 3jww n GLY 144 N 3.91 2.07 3.51 9.45 0.00 -1.26 -5.05 105.19 117.81 3jww n GLY 144 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3jww n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jww n SER 145 N 0.00 -1.32 0.06 1.61 3.41 -0.85 -4.70 113.62 111.82 3jww n SER 145 Ca 0.00 -0.03 -0.04 0.00 -0.26 0.00 0.00 58.87 58.53 3jww n SER 145 Cb 0.00 -1.30 0.16 0.00 -0.26 0.00 0.00 64.21 62.81 3jww n SER 145 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3jww h GLN 146 N -2.51 0.36 -0.58 4.33 -0.00 -1.98 -0.91 115.11 113.81 3jww h GLN 146 Ca -0.57 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.65 57.88 3jww h GLN 146 Cb 1.32 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.78 3jww h GLN 146 CO 0.47 0.73 0.34 0.00 -0.00 0.00 0.00 178.83 180.38 3jww h ALA 147 N 1.24 0.74 0.34 0.06 0.00 -1.92 0.41 119.26 120.14 3jww h ALA 147 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3jww h ALA 147 Cb 0.89 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3jww h ALA 147 CO 0.07 0.23 -0.16 1.25 0.00 0.00 0.00 179.25 180.65 3jww h HIS 148 N 0.79 -0.42 0.00 0.00 -0.00 -1.67 0.13 115.15 113.98 3jww h HIS 148 Ca 0.21 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 3jww h HIS 148 Cb -0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 3jww h HIS 148 CO -0.02 -0.20 -0.38 0.93 -0.00 0.00 0.00 177.93 178.26 3jww h GLU 149 N -0.55 0.00 -0.15 5.26 4.39 -1.05 -1.71 114.58 120.76 3jww h GLU 149 Ca -0.05 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 3jww h GLU 149 Cb 0.41 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3jww h GLU 149 CO 0.08 0.38 -0.76 0.93 -1.16 0.00 0.00 179.01 178.48 3jww h GLU 150 N 0.00 0.75 -0.78 2.33 5.08 0.09 -0.92 114.58 121.13 3jww h GLU 150 Ca -0.00 -0.61 -0.03 0.00 -1.00 0.00 0.00 59.36 57.72 3jww h GLU 150 Cb 0.69 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 3jww h GLU 150 CO 0.05 1.22 0.37 -0.09 -1.00 0.00 0.00 179.01 179.55 3jww h ARG 151 N 0.52 1.11 0.13 2.33 9.65 -0.57 -0.65 114.38 126.90 3jww h ARG 151 Ca -0.05 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.67 3jww h ARG 151 Cb 1.38 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 3jww h ARG 151 CO 0.15 0.86 -0.07 -0.07 2.80 0.00 0.00 179.97 183.64 3jww h LEU 152 N 1.11 -0.18 -1.37 3.80 3.38 -1.17 -1.18 115.31 119.70 3jww h LEU 152 Ca 0.27 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.37 3jww h LEU 152 Cb 0.12 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3jww h LEU 152 CO -0.03 -0.12 0.54 1.56 0.09 0.00 0.00 178.44 180.47 3jww h GLN 153 N -0.19 0.64 -0.14 1.13 4.20 -0.94 -2.07 115.11 117.73 3jww h GLN 153 Ca -0.01 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3jww h GLN 153 Cb 0.16 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3jww h GLN 153 CO 0.01 0.42 -0.29 1.49 -0.67 0.00 0.00 178.83 179.79 3jww h GLU 154 N 0.65 0.45 -0.16 1.46 4.81 -0.86 -2.49 114.58 118.44 3jww h GLU 154 Ca 0.40 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3jww h GLU 154 Cb 0.64 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3jww h GLU 154 CO -0.16 0.90 0.02 0.28 -0.73 0.00 0.00 179.01 179.32 3jww h VAL 155 N 0.06 1.23 -0.51 0.32 2.07 -0.63 -1.71 116.25 117.08 3jww h VAL 155 Ca 0.00 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 3jww h VAL 155 Cb 0.89 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3jww h VAL 155 CO 0.06 0.22 0.03 1.05 0.02 0.00 0.00 177.57 178.95 3jww h GLU 156 N 0.04 0.85 -0.59 1.57 4.11 -1.48 -1.58 114.58 117.49 3jww h GLU 156 Ca 0.05 -0.22 -0.03 0.00 0.07 0.00 0.00 59.36 59.23 3jww h GLU 156 Cb 0.31 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3jww h GLU 156 CO 0.00 0.83 0.26 0.00 0.07 0.00 0.00 179.01 180.17 3jww h ALA 157 N 1.23 0.76 -0.86 1.06 0.00 -1.35 0.73 119.26 120.83 3jww h ALA 157 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jww h ALA 157 Cb 0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3jww h ALA 157 CO 0.02 0.35 0.55 1.49 0.00 0.00 0.00 179.25 181.66 3jww h GLU 158 N 0.81 1.15 -0.00 0.00 4.81 -1.01 -2.59 114.58 117.74 3jww h GLU 158 Ca 0.20 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3jww h GLU 158 Cb 0.17 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3jww h GLU 158 CO -0.02 0.78 -0.00 0.28 -0.73 0.00 0.00 179.01 179.32 3jww h VAL 159 N 1.18 1.45 -0.21 0.32 2.07 -0.94 -2.24 116.25 117.87 3jww h VAL 159 Ca 0.31 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.57 3jww h VAL 159 Cb -0.10 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3jww h VAL 159 CO -0.06 0.34 0.57 0.00 0.02 0.00 0.00 177.57 178.44 3jww h ALA 160 N 0.44 1.82 0.00 1.67 0.00 -0.74 0.18 119.26 122.63 3jww h ALA 160 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jww h ALA 160 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3jww h ALA 160 CO 0.00 -0.68 -1.07 -1.13 0.00 0.00 0.00 179.25 176.37 3jww n SER 161 N -3.08 1.88 0.00 0.00 3.41 -0.99 -4.79 113.62 110.06 3jww n SER 161 Ca 0.03 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3jww n SER 161 Cb 0.67 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.90 3jww n SER 161 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3jww n THR 162 N -1.61 0.00 0.00 6.66 -2.24 -0.81 -5.03 114.28 111.25 3jww n THR 162 Ca -0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3jww n THR 162 Cb 0.22 1.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 3jww n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jww n GLY 163 N 0.05 2.21 0.38 3.38 0.00 0.57 -4.95 105.19 106.83 3jww n GLY 163 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 3jww n GLY 163 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3jww n THR 164 N 0.00 0.00 -3.87 2.61 5.66 -1.26 -4.88 114.28 112.54 3jww n THR 164 Ca 0.00 -0.25 -0.08 0.00 -3.05 0.00 0.00 64.05 60.66 3jww n THR 164 Cb 0.00 0.05 -0.01 0.00 -1.55 0.00 0.00 70.33 68.82 3jww n THR 164 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jww s TYR 165 N -1.23 0.06 0.02 1.09 1.13 -1.26 -3.17 117.35 114.00 3jww s TYR 165 Ca 0.00 -0.57 0.04 0.00 -1.41 0.00 0.00 57.07 55.13 3jww s TYR 165 Cb 0.00 0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 41.48 3jww s TYR 165 CO 0.00 -1.32 -0.12 -1.01 -2.51 0.00 0.00 175.55 170.59 3jww s HIS 166 N -3.33 1.08 0.21 -3.49 3.76 -1.26 -5.04 115.29 107.22 3jww s HIS 166 Ca 0.15 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.46 3jww s HIS 166 Cb -0.05 -0.66 -0.08 0.00 1.11 0.00 0.00 32.58 32.90 3jww s HIS 166 CO 0.10 0.01 0.93 -0.51 -0.85 0.00 0.00 174.74 174.41 3jww s LEU 167 N -0.88 4.61 0.91 0.89 1.43 -1.26 -5.05 118.68 119.33 3jww s LEU 167 Ca 0.01 1.89 -0.10 0.00 -1.03 0.00 0.00 54.13 54.90 3jww s LEU 167 Cb -0.07 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.72 3jww s LEU 167 CO 0.01 0.12 1.13 -0.13 0.23 0.00 0.00 176.35 177.70 3jww s ARG 168 N -0.93 1.09 0.09 1.70 0.52 -1.26 -4.83 118.95 115.33 3jww s ARG 168 Ca 0.42 1.43 -0.32 0.00 -0.52 0.00 0.00 55.73 56.74 3jww s ARG 168 Cb -0.25 -1.74 -0.15 0.00 0.52 0.00 0.00 34.95 33.33 3jww s ARG 168 CO 0.31 -2.55 1.61 1.49 0.02 0.00 0.00 175.30 176.18 3jww h GLU 169 N -1.80 -0.77 0.00 3.54 4.81 -2.00 -2.27 114.58 116.08 3jww h GLU 169 Ca -0.44 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3jww h GLU 169 Cb 1.27 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 3jww h GLU 169 CO 0.44 -0.51 -0.00 0.66 -0.73 0.00 0.00 179.01 178.86 3jww h SER 170 N -0.80 0.00 -0.04 1.04 4.64 -1.99 -1.96 113.55 114.43 3jww h SER 170 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3jww h SER 170 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3jww h SER 170 CO -0.03 0.00 0.01 -0.33 -0.87 0.00 0.00 176.83 175.61 3jww h GLU 171 N 0.00 0.07 -0.46 4.77 5.08 -1.87 -1.83 114.58 120.34 3jww h GLU 171 Ca -0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3jww h GLU 171 Cb 0.46 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3jww h GLU 171 CO 0.00 0.29 0.21 1.25 -1.00 0.00 0.00 179.01 179.76 3jww h LEU 172 N -0.17 0.28 -0.31 1.33 5.85 -0.79 0.45 115.31 121.95 3jww h LEU 172 Ca 0.01 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3jww h LEU 172 Cb 0.26 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3jww h LEU 172 CO 0.00 0.20 0.07 0.58 -0.34 0.00 0.00 178.44 178.94 3jww h VAL 173 N 0.41 0.86 -0.53 1.05 2.07 -1.39 -0.24 116.25 118.48 3jww h VAL 173 Ca 0.21 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 3jww h VAL 173 Cb 0.15 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3jww h VAL 173 CO -0.17 0.03 0.07 0.15 0.02 0.00 0.00 177.57 177.67 3jww h PHE 174 N 0.18 0.90 0.27 1.57 3.57 -1.04 -2.85 116.94 119.54 3jww h PHE 174 Ca 0.14 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3jww h PHE 174 Cb 0.15 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.64 3jww h PHE 174 CO -0.17 0.79 -0.13 0.78 -2.23 0.00 0.00 178.31 177.35 3jww h GLY 175 N 0.99 -0.39 0.57 2.40 0.00 -0.29 -1.67 103.07 104.68 3jww h GLY 175 Ca 0.17 0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.74 3jww h GLY 175 CO 0.01 -0.14 0.64 0.00 0.00 0.00 0.00 176.54 177.05 3jww h ALA 176 N 0.14 1.49 -0.13 3.60 0.00 -1.09 0.23 119.26 123.50 3jww h ALA 176 Ca -0.04 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3jww h ALA 176 Cb 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3jww h ALA 176 CO 0.06 0.30 -0.34 0.87 0.00 0.00 0.00 179.25 180.14 3jww h LYS 177 N 1.05 0.26 0.00 0.00 1.57 -1.42 -2.50 116.57 115.52 3jww h LYS 177 Ca 0.47 -0.10 -0.21 0.00 -1.87 0.00 0.00 60.65 58.94 3jww h LYS 177 Cb 0.38 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3jww h LYS 177 CO -0.23 0.57 -0.91 0.37 -0.57 0.00 0.00 179.45 178.68 3jww h GLN 178 N 0.22 0.30 -0.51 3.15 5.75 0.07 -1.10 115.11 123.00 3jww h GLN 178 Ca 0.03 -0.33 -0.10 0.00 -0.15 0.00 0.00 58.65 58.10 3jww h GLN 178 Cb 0.71 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.33 3jww h GLN 178 CO 0.05 1.03 -0.06 0.00 -2.65 0.00 0.00 178.83 177.20 3jww h ALA 179 N 0.85 0.92 -0.07 3.38 0.00 -0.41 0.11 119.26 124.05 3jww h ALA 179 Ca -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3jww h ALA 179 Cb 1.55 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3jww h ALA 179 CO 0.15 0.63 0.01 2.35 0.00 0.00 0.00 179.25 182.39 3jww h TRP 180 N 0.83 0.13 -0.85 0.00 7.01 -1.28 -2.78 115.95 119.01 3jww h TRP 180 Ca 0.14 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.27 3jww h TRP 180 Cb 0.58 -0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 27.51 3jww h TRP 180 CO 0.03 0.35 0.44 -0.09 -2.79 0.00 0.00 178.44 176.38 3jww h ARG 181 N -0.13 0.61 0.00 2.65 2.43 -1.01 -1.86 114.38 117.07 3jww h ARG 181 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jww h ARG 181 Cb 0.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3jww h ARG 181 CO 0.00 0.40 0.00 0.09 -1.51 0.00 0.00 179.97 178.95 3jww n ASN 182 N -4.87 0.00 -4.60 -3.80 3.02 0.36 -4.87 115.26 100.51 3jww n ASN 182 Ca 0.17 0.50 -0.43 0.00 -0.03 0.00 0.00 54.58 54.79 3jww n ASN 182 Cb 0.43 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 3jww n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jww s ALA 183 N -3.00 2.98 0.05 5.41 0.00 -0.70 -4.65 121.76 121.84 3jww s ALA 183 Ca 0.10 0.11 0.19 0.00 0.00 0.00 0.00 51.96 52.35 3jww s ALA 183 Cb 0.14 -3.97 0.54 0.00 0.00 0.00 0.00 23.12 19.82 3jww s ALA 183 CO 0.38 -2.47 1.66 -1.35 0.00 0.00 0.00 175.76 173.97 3jww h PRO 184 N 11.80 0.00 -0.07 0.00 0.11 -1.90 -2.94 132.00 139.00 3jww h PRO 184 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3jww h PRO 184 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3jww h PRO 184 CO 1.05 0.38 0.00 0.54 -0.21 0.00 0.00 178.00 179.76 3jww n ARG 185 N -3.39 1.52 -3.68 1.05 1.74 -1.26 -1.70 116.66 110.94 3jww n ARG 185 Ca 0.01 -0.77 -0.36 0.00 -0.77 0.00 0.00 57.85 55.96 3jww n ARG 185 Cb 0.56 -1.43 -0.09 0.00 -1.02 0.00 0.00 32.46 30.49 3jww n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jww n VAL 187 N 3.87 0.00 0.01 0.00 3.14 -1.26 -4.18 118.33 119.91 3jww n VAL 187 Ca -0.15 -0.09 0.06 0.00 -2.96 0.00 0.00 64.34 61.19 3jww n VAL 187 Cb 0.52 0.95 0.25 0.00 -1.06 0.00 0.00 33.84 34.50 3jww n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jww n GLY 188 N 1.43 2.05 0.10 7.55 0.00 -1.26 -4.45 105.19 110.60 3jww n GLY 188 Ca 0.03 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.57 3jww n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jww n ARG 189 N 0.58 0.11 -0.03 1.61 1.74 -1.26 -1.97 116.66 117.45 3jww n ARG 189 Ca 0.17 0.51 0.20 0.00 -0.77 0.00 0.00 57.85 57.96 3jww n ARG 189 Cb 0.71 -1.80 0.67 0.00 -1.02 0.00 0.00 32.46 31.02 3jww n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jww h ILE 190 N 0.00 0.73 0.00 0.55 2.10 -1.84 0.53 117.51 119.59 3jww h ILE 190 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 3jww h ILE 190 Cb 0.14 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 3jww h ILE 190 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 3jww n GLN 191 N -4.38 0.42 -0.35 2.19 1.13 -0.83 -4.58 117.38 110.97 3jww n GLN 191 Ca 0.11 0.05 0.29 0.00 -1.94 0.00 0.00 57.00 55.51 3jww n GLN 191 Cb 0.61 -1.50 0.61 0.00 0.11 0.00 0.00 30.24 30.07 3jww n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jww h TRP 192 N 0.00 0.43 0.00 1.08 5.08 -0.11 -0.19 115.95 122.24 3jww h TRP 192 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3jww h TRP 192 Cb 0.18 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 3jww h TRP 192 CO 0.00 -0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 3jww n GLY 193 N -1.58 -1.62 3.16 11.11 0.00 -1.26 -4.27 105.19 110.72 3jww n GLY 193 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 3jww n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jww s LYS 194 N -3.15 3.48 -0.06 1.61 2.20 -0.08 -5.01 119.74 118.72 3jww s LYS 194 Ca 0.09 -3.26 0.02 0.00 -0.36 0.00 0.00 55.97 52.47 3jww s LYS 194 Cb 0.11 -4.09 0.01 0.00 -1.51 0.00 0.00 37.83 32.36 3jww s LYS 194 CO 0.56 -1.26 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.00 3jww s LEU 195 N -1.31 1.66 -0.28 5.43 2.96 -1.26 -4.62 118.68 121.26 3jww s LEU 195 Ca 0.28 -0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 53.68 3jww s LEU 195 Cb -0.08 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 3jww s LEU 195 CO -0.11 0.04 0.76 -1.58 -1.32 0.00 0.00 176.35 174.14 3jww s GLN 196 N 0.59 4.06 -0.41 1.98 2.00 0.14 -4.96 119.66 123.06 3jww s GLN 196 Ca -0.13 0.68 -0.12 0.00 -2.00 0.00 0.00 55.36 53.79 3jww s GLN 196 Cb -0.15 -3.69 0.05 0.00 0.80 0.00 0.00 33.01 30.02 3jww s GLN 196 CO 0.03 -0.57 0.27 0.08 -0.50 0.00 0.00 175.29 174.60 3jww s VAL 197 N 2.82 4.72 -0.24 1.34 1.01 -1.26 -1.53 120.40 127.26 3jww s VAL 197 Ca 0.32 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 3jww s VAL 197 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3jww s VAL 197 CO 0.10 -0.37 0.50 -0.36 0.00 0.00 0.00 175.10 174.97 3jww s PHE 198 N 1.56 3.30 -0.10 5.22 0.08 -0.12 -4.99 117.98 122.93 3jww s PHE 198 Ca 0.03 0.66 -0.29 0.00 0.12 0.00 0.00 56.93 57.45 3jww s PHE 198 Cb -0.21 -2.68 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 3jww s PHE 198 CO 0.06 -0.21 0.98 0.34 -0.10 0.00 0.00 175.22 176.29 3jww s ASP 199 N 1.41 7.22 -0.12 1.36 -1.08 -1.26 -0.83 116.67 123.37 3jww s ASP 199 Ca 0.21 1.50 0.21 0.00 -0.52 0.00 0.00 52.55 53.95 3jww s ASP 199 Cb -0.15 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.21 3jww s ASP 199 CO 0.09 -0.41 1.17 0.00 0.52 0.00 0.00 175.17 176.54 3jww n ALA 200 N 4.87 2.87 1.32 3.66 0.00 0.28 -4.86 120.51 128.65 3jww n ALA 200 Ca 0.08 -2.73 0.13 0.00 0.00 0.00 0.00 53.44 50.91 3jww n ALA 200 Cb 0.49 -0.66 0.69 0.00 0.00 0.00 0.00 19.45 19.97 3jww n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jww n ARG 201 N -0.14 0.45 0.00 0.00 1.74 -1.06 -2.25 116.66 115.40 3jww n ARG 201 Ca 0.12 0.03 0.13 0.00 -0.77 0.00 0.00 57.85 57.36 3jww n ARG 201 Cb 0.97 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.30 3jww n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jww n ASP 202 N -1.24 0.68 -4.74 0.55 5.75 -1.26 -4.56 116.55 111.72 3jww n ASP 202 Ca 0.14 -0.51 -0.42 0.00 -0.01 0.00 0.00 54.79 53.99 3jww n ASP 202 Cb 0.19 0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 3jww n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jww n SER 204 N 2.73 0.13 -3.94 0.00 3.41 -1.26 -4.81 113.62 109.88 3jww n SER 204 Ca 0.10 -0.45 -0.09 0.00 -0.26 0.00 0.00 58.87 58.18 3jww n SER 204 Cb 0.37 0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 64.71 3jww n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3jww s SER 205 N -0.46 0.13 0.36 4.04 1.04 -1.26 -4.98 113.70 112.58 3jww s SER 205 Ca 0.00 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 55.67 3jww s SER 205 Cb 0.00 0.36 0.70 0.00 0.10 0.00 0.00 66.02 67.19 3jww s SER 205 CO 0.00 -0.79 1.92 0.00 0.98 0.00 0.00 173.24 175.36 3jww h ALA 206 N 2.71 1.47 -0.07 5.32 0.00 -1.92 -0.70 119.26 126.06 3jww h ALA 206 Ca -0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3jww h ALA 206 Cb 1.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3jww h ALA 206 CO 0.54 0.38 0.04 0.37 0.00 0.00 0.00 179.25 180.58 3jww h GLN 207 N 0.43 0.10 -0.62 0.00 5.75 -1.96 -2.13 115.11 116.68 3jww h GLN 207 Ca 0.10 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3jww h GLN 207 Cb 0.27 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 3jww h GLN 207 CO 0.01 0.12 0.35 1.49 -2.65 0.00 0.00 178.83 178.15 3jww h GLU 208 N 0.04 0.85 -0.64 1.69 4.81 -1.88 -1.24 114.58 118.20 3jww h GLU 208 Ca 0.03 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3jww h GLU 208 Cb 0.05 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3jww h GLU 208 CO -0.00 0.61 0.41 0.52 -0.73 0.00 0.00 179.01 179.82 3jww h MET 209 N 0.86 0.85 0.20 1.92 2.86 -0.97 0.08 114.93 120.73 3jww h MET 209 Ca 0.22 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3jww h MET 209 Cb -0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3jww h MET 209 CO -0.04 0.58 -0.16 0.35 1.06 0.00 0.00 176.91 178.70 3jww h PHE 210 N 0.87 -0.42 -0.27 -0.22 3.57 -0.58 0.92 116.94 120.81 3jww h PHE 210 Ca 0.23 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.80 3jww h PHE 210 Cb -0.07 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 3jww h PHE 210 CO -0.02 -0.25 -0.34 1.15 -2.23 0.00 0.00 178.31 176.62 3jww h THR 211 N -0.37 0.24 -0.72 4.41 2.02 -0.82 -0.98 112.91 116.68 3jww h THR 211 Ca -0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.28 3jww h THR 211 Cb 0.34 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 66.90 3jww h THR 211 CO -0.02 0.00 0.33 1.88 0.37 0.00 0.00 175.52 178.08 3jww h TYR 212 N -0.34 0.59 -0.80 3.16 0.05 -0.85 -1.37 116.97 117.41 3jww h TYR 212 Ca 0.13 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 3jww h TYR 212 Cb 0.55 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 3jww h TYR 212 CO -0.49 0.17 0.33 0.82 -1.05 0.00 0.00 178.16 177.94 3jww h ILE 213 N 0.54 1.26 -0.22 -2.88 2.04 0.19 -0.90 117.51 117.54 3jww h ILE 213 Ca 0.37 -0.81 -0.11 0.00 1.00 0.00 0.00 64.86 65.31 3jww h ILE 213 Cb 0.46 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3jww h ILE 213 CO -0.32 0.33 -0.35 0.00 0.00 0.00 0.00 178.15 177.82 3jww h ASN 215 N 0.40 0.50 0.03 0.00 2.35 -0.94 -1.71 115.58 116.21 3jww h ASN 215 Ca 0.04 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.57 3jww h ASN 215 Cb 0.80 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.98 3jww h ASN 215 CO 0.06 0.62 -0.33 -0.74 -1.65 0.00 0.00 177.43 175.39 3jww h HIS 216 N 0.36 -0.92 -0.49 1.19 2.76 -0.95 0.14 115.15 117.23 3jww h HIS 216 Ca 0.10 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 3jww h HIS 216 Cb 0.33 0.40 -0.04 0.00 1.55 0.00 0.00 27.41 29.65 3jww h HIS 216 CO 0.02 -0.43 0.24 0.82 -1.30 0.00 0.00 177.93 177.28 3jww h ILE 217 N -0.51 0.95 0.46 6.26 2.04 -1.26 0.37 117.51 125.82 3jww h ILE 217 Ca 0.05 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3jww h ILE 217 Cb 0.58 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3jww h ILE 217 CO -0.25 0.09 -0.38 0.11 0.00 0.00 0.00 178.15 177.72 3jww h LYS 218 N 0.48 -0.81 -0.52 2.37 1.57 -1.00 -1.29 116.57 117.36 3jww h LYS 218 Ca 0.22 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.14 3jww h LYS 218 Cb 0.13 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 3jww h LYS 218 CO -0.16 -0.54 0.12 -0.92 -0.57 0.00 0.00 179.45 177.38 3jww h TYR 219 N -0.84 0.19 -0.09 -1.35 3.20 -0.50 -2.13 116.97 115.46 3jww h TYR 219 Ca -0.05 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.65 3jww h TYR 219 Cb 0.72 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3jww h TYR 219 CO -0.17 0.00 -0.79 0.00 -1.64 0.00 0.00 178.16 175.56 3jww h ALA 220 N 1.40 0.45 -0.02 1.82 0.00 -0.86 -3.24 119.26 118.82 3jww h ALA 220 Ca 0.26 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3jww h ALA 220 Cb 0.36 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3jww h ALA 220 CO -0.33 0.74 -0.45 1.15 0.00 0.00 0.00 179.25 180.36 3jww h THR 221 N 0.36 1.46 -6.78 0.00 2.02 -1.24 0.23 112.91 108.97 3jww h THR 221 Ca -0.05 -1.97 -0.56 0.00 0.77 0.00 0.00 66.41 64.60 3jww h THR 221 Cb 1.39 2.59 -0.15 0.00 -1.74 0.00 0.00 68.15 70.24 3jww h THR 221 CO 0.15 0.56 -0.91 -3.20 0.37 0.00 0.00 175.52 172.49 3jww n ASN 222 N -4.34 -0.46 -2.62 4.18 5.15 -0.80 -0.29 115.26 116.08 3jww n ASN 222 Ca -0.10 -1.11 -0.16 0.00 -0.60 0.00 0.00 54.58 52.61 3jww n ASN 222 Cb 0.59 -2.43 -0.00 0.00 -0.53 0.00 0.00 39.78 37.41 3jww n ASN 222 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3jww n ARG 223 N -4.44 -2.56 0.00 1.20 1.74 -1.26 -2.16 116.66 109.19 3jww n ARG 223 Ca -0.23 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 3jww n ARG 223 Cb 0.64 -5.33 0.00 0.00 -1.02 0.00 0.00 32.46 26.75 3jww n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jww n GLY 224 N -0.96 1.89 3.48 -0.13 0.00 0.60 -4.92 105.19 105.15 3jww n GLY 224 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3jww n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jww n ASN 225 N 0.00 5.16 -4.77 1.61 2.85 -0.92 -1.50 115.26 117.70 3jww n ASN 225 Ca 0.00 -2.97 -0.40 0.00 -0.11 0.00 0.00 54.58 51.10 3jww n ASN 225 Cb 0.00 -1.60 -0.02 0.00 1.24 0.00 0.00 39.78 39.40 3jww n ASN 225 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3jww s LEU 226 N 2.05 4.36 -0.04 1.20 1.02 -1.26 -4.65 118.68 121.36 3jww s LEU 226 Ca 0.45 2.68 0.05 0.00 0.02 0.00 0.00 54.13 57.33 3jww s LEU 226 Cb -0.01 -3.73 -0.01 0.00 0.02 0.00 0.00 46.19 42.46 3jww s LEU 226 CO 0.02 -0.64 -0.19 -0.13 0.02 0.00 0.00 176.35 175.43 3jww s ARG 227 N -1.95 1.88 0.19 1.70 0.52 0.81 -4.96 118.95 117.14 3jww s ARG 227 Ca 0.52 -0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 54.74 3jww s ARG 227 Cb -0.39 -1.65 -0.10 0.00 0.52 0.00 0.00 34.95 33.33 3jww s ARG 227 CO 0.52 0.29 1.48 -1.12 0.02 0.00 0.00 175.30 176.49 3jww s SER 228 N -0.07 6.67 0.13 0.23 0.01 -1.26 -4.48 113.70 114.93 3jww s SER 228 Ca -0.02 2.57 -0.14 0.00 1.31 0.00 0.00 55.95 59.67 3jww s SER 228 Cb -0.11 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.54 3jww s SER 228 CO 0.02 -0.74 0.37 0.00 0.41 0.00 0.00 173.24 173.30 3jww s ALA 229 N 0.68 -0.72 -0.14 1.44 0.00 -1.00 0.24 121.76 122.27 3jww s ALA 229 Ca 0.65 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 3jww s ALA 229 Cb -0.41 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.43 3jww s ALA 229 CO 0.36 -0.64 0.36 -1.50 0.00 0.00 0.00 175.76 174.34 3jww s ILE 230 N -3.84 -0.00 -0.24 0.00 2.07 -0.58 -1.38 121.20 117.22 3jww s ILE 230 Ca 0.05 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.31 3jww s ILE 230 Cb 0.02 -0.51 0.03 0.00 0.13 0.00 0.00 42.46 42.14 3jww s ILE 230 CO -0.10 0.01 -0.09 -0.89 -1.91 0.00 0.00 174.94 171.96 3jww s THR 231 N 0.36 2.61 -0.49 4.00 2.01 -0.94 -0.94 115.64 122.26 3jww s THR 231 Ca -0.01 -1.15 -0.18 0.00 0.31 0.00 0.00 61.69 60.65 3jww s THR 231 Cb -0.03 -2.34 0.06 0.00 0.01 0.00 0.00 72.50 70.19 3jww s THR 231 CO -0.01 0.19 0.53 -0.69 -0.69 0.00 0.00 174.62 173.95 3jww s VAL 232 N 1.27 5.01 0.92 3.82 1.01 -0.01 -3.67 120.40 128.75 3jww s VAL 232 Ca -0.01 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 3jww s VAL 232 Cb -0.17 -4.22 0.16 0.00 0.00 0.00 0.00 36.38 32.15 3jww s VAL 232 CO -0.06 -0.69 1.24 -0.36 0.00 0.00 0.00 175.10 175.23 3jww s PHE 233 N 2.27 2.10 0.58 5.22 0.08 -0.86 -0.55 117.98 126.82 3jww s PHE 233 Ca 0.11 0.54 -0.20 0.00 0.12 0.00 0.00 56.93 57.51 3jww s PHE 233 Cb -0.20 -3.78 -0.04 0.00 -0.57 0.00 0.00 43.02 38.43 3jww s PHE 233 CO 0.11 -2.40 1.28 -2.14 -0.10 0.00 0.00 175.22 171.97 3jww s PRO 234 N -5.68 2.96 0.45 0.24 0.02 -1.25 -4.68 135.00 127.05 3jww s PRO 234 Ca 0.68 2.03 -0.21 0.00 0.02 0.00 0.00 61.00 63.53 3jww s PRO 234 Cb -0.08 -2.05 -0.10 0.00 0.02 0.00 0.00 34.50 32.29 3jww s PRO 234 CO 0.52 -1.27 0.97 1.14 -0.33 0.00 0.00 177.00 178.03 3jww s GLN 235 N -3.16 4.10 0.11 5.54 -2.07 -1.26 -4.47 119.66 118.45 3jww s GLN 235 Ca 0.76 1.17 -0.36 0.00 -1.82 0.00 0.00 55.36 55.12 3jww s GLN 235 Cb -0.36 -2.15 -0.16 0.00 -1.09 0.00 0.00 33.01 29.24 3jww s GLN 235 CO 0.40 -0.15 1.31 -2.13 -1.32 0.00 0.00 175.29 173.39 3jww n ARG 236 N -0.79 1.19 -4.25 9.60 0.63 -0.44 -4.97 116.66 117.63 3jww n ARG 236 Ca 0.08 0.43 -0.23 0.00 -0.92 0.00 0.00 57.85 57.20 3jww n ARG 236 Cb 0.54 -2.04 -0.07 0.00 0.45 0.00 0.00 32.46 31.34 3jww n ARG 236 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3jww s ALA 237 N 0.34 3.26 -0.05 5.13 0.00 -1.26 -4.84 121.76 124.34 3jww s ALA 237 Ca 0.82 -1.61 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 3jww s ALA 237 Cb -0.92 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 3jww s ALA 237 CO 0.48 0.26 0.77 -1.25 0.00 0.00 0.00 175.76 176.01 3jww s PRO 238 N -3.71 4.47 -1.28 0.00 0.04 -1.26 -3.20 135.00 130.06 3jww s PRO 238 Ca 0.32 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 3jww s PRO 238 Cb -0.07 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 3jww s PRO 238 CO 0.21 0.03 0.69 0.41 0.04 0.00 0.00 177.00 178.39 3jww n GLY 239 N 3.05 -0.44 3.14 0.56 0.00 -1.26 -5.02 105.19 105.23 3jww n GLY 239 Ca 0.01 0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.26 3jww n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jww s ARG 240 N -5.93 0.55 0.91 1.61 3.00 -1.19 -5.17 118.95 112.73 3jww s ARG 240 Ca 0.10 0.78 -0.16 0.00 -1.00 0.00 0.00 55.73 55.45 3jww s ARG 240 Cb -0.03 0.37 -0.09 0.00 0.00 0.00 0.00 34.95 35.20 3jww s ARG 240 CO 0.82 -0.81 -0.32 0.41 0.00 0.00 0.00 175.30 175.41 3jww n GLY 241 N 5.42 -3.58 3.88 8.12 0.00 -1.26 -4.02 105.19 113.75 3jww n GLY 241 Ca 0.01 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3jww n GLY 241 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jww s ASP 242 N -1.30 5.70 -0.07 1.61 1.01 -1.26 -4.37 116.67 117.99 3jww s ASP 242 Ca 0.48 1.19 -0.22 0.00 0.71 0.00 0.00 52.55 54.72 3jww s ASP 242 Cb -0.23 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 3jww s ASP 242 CO 0.75 -1.17 0.62 -0.36 0.21 0.00 0.00 175.17 175.22 3jww s PHE 243 N -3.28 3.57 -0.12 4.23 0.40 -1.26 -3.44 117.98 118.09 3jww s PHE 243 Ca 0.57 1.14 -0.06 0.00 -0.60 0.00 0.00 56.93 57.98 3jww s PHE 243 Cb -0.11 -2.71 0.05 0.00 0.51 0.00 0.00 43.02 40.77 3jww s PHE 243 CO 0.52 0.15 0.27 1.03 0.70 0.00 0.00 175.22 177.89 3jww s ARG 244 N 0.61 0.22 -0.15 0.44 1.81 -0.58 -3.74 118.95 117.57 3jww s ARG 244 Ca 0.33 0.61 -0.21 0.00 -1.72 0.00 0.00 55.73 54.74 3jww s ARG 244 Cb -0.17 -0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.21 3jww s ARG 244 CO 0.16 -0.18 0.62 0.42 -0.68 0.00 0.00 175.30 175.64 3jww s ILE 245 N 1.50 5.05 0.11 1.52 1.01 -1.26 -0.14 121.20 128.98 3jww s ILE 245 Ca -0.07 1.21 -0.04 0.00 0.00 0.00 0.00 60.65 61.75 3jww s ILE 245 Cb -0.10 -3.95 -0.23 0.00 0.01 0.00 0.00 42.46 38.19 3jww s ILE 245 CO -0.09 0.18 1.23 -0.50 0.00 0.00 0.00 174.94 175.76 3jww h TRP 246 N 7.17 0.53 -4.12 3.97 4.06 -1.57 -3.43 115.95 122.57 3jww h TRP 246 Ca -0.35 -0.34 -0.56 0.00 2.06 0.00 0.00 58.89 59.70 3jww h TRP 246 Cb 1.16 -0.04 0.16 0.00 -1.00 0.00 0.00 29.16 29.44 3jww h TRP 246 CO 0.68 1.20 0.50 -0.80 -3.56 0.00 0.00 178.44 176.46 3jww s ASN 247 N -7.11 4.50 0.01 -3.49 -0.87 -1.26 -4.92 114.94 101.80 3jww s ASN 247 Ca -0.05 2.60 0.11 0.00 -1.57 0.00 0.00 52.86 53.95 3jww s ASN 247 Cb 0.08 -2.62 -0.22 0.00 -0.02 0.00 0.00 41.25 38.48 3jww s ASN 247 CO 0.87 -2.08 0.86 0.77 -2.57 0.00 0.00 177.10 174.95 3jww h SER 248 N 0.39 0.00 -3.57 -1.22 4.64 -1.91 -3.36 113.55 108.52 3jww h SER 248 Ca -0.50 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.42 3jww h SER 248 Cb 1.33 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.28 3jww h SER 248 CO 0.52 0.99 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.64 3jww s GLN 249 N -2.64 1.20 0.13 4.77 -0.21 -1.26 -1.49 119.66 120.15 3jww s GLN 249 Ca -0.03 -1.52 -0.17 0.00 0.02 0.00 0.00 55.36 53.66 3jww s GLN 249 Cb 0.09 -0.89 -0.02 0.00 1.00 0.00 0.00 33.01 33.18 3jww s GLN 249 CO 0.82 0.14 1.69 -0.07 -2.12 0.00 0.00 175.29 175.74 3jww h LEU 250 N 2.68 0.47 -8.34 2.90 3.38 -1.57 -3.40 115.31 111.44 3jww h LEU 250 Ca -0.37 -0.15 -0.67 0.00 0.09 0.00 0.00 57.88 56.78 3jww h LEU 250 Cb 1.21 -0.12 -0.28 0.00 0.09 0.00 0.00 40.66 41.56 3jww h LEU 250 CO 0.62 0.48 -0.67 -0.69 0.09 0.00 0.00 178.44 178.27 3jww s VAL 251 N -5.64 3.59 -0.03 1.22 1.01 -1.26 -4.93 120.40 114.36 3jww s VAL 251 Ca -0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 3jww s VAL 251 Cb 0.09 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.69 3jww s VAL 251 CO 0.74 0.18 0.21 -0.13 0.00 0.00 0.00 175.10 176.10 3jww s ARG 252 N 1.45 0.45 0.07 2.72 0.52 -1.26 -4.91 118.95 118.00 3jww s ARG 252 Ca 0.03 -0.10 -0.17 0.00 -0.52 0.00 0.00 55.73 54.97 3jww s ARG 252 Cb -0.16 0.20 -0.07 0.00 0.52 0.00 0.00 34.95 35.44 3jww s ARG 252 CO -0.00 -0.10 0.53 0.71 0.02 0.00 0.00 175.30 176.46 3jww s TYR 253 N -0.84 3.75 0.70 -0.53 2.02 -1.26 -0.18 117.35 121.01 3jww s TYR 253 Ca -0.09 1.17 -0.15 0.00 -0.37 0.00 0.00 57.07 57.63 3jww s TYR 253 Cb -0.05 -2.43 0.02 0.00 -0.40 0.00 0.00 41.96 39.11 3jww s TYR 253 CO 0.02 0.57 1.18 0.00 -1.57 0.00 0.00 175.55 175.75 3jww s ALA 254 N -1.17 2.24 -0.17 3.71 0.00 -0.11 -4.36 121.76 121.90 3jww s ALA 254 Ca 0.30 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 3jww s ALA 254 Cb -0.18 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.56 3jww s ALA 254 CO 0.18 -1.67 -0.02 0.20 0.00 0.00 0.00 175.76 174.45 3jww s GLY 255 N -2.13 0.85 -0.25 0.00 0.00 -1.25 -1.19 107.32 103.35 3jww s GLY 255 Ca 0.73 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 44.61 3jww s GLY 255 CO 0.43 1.09 0.13 -0.19 0.00 0.00 0.00 173.10 174.57 3jww s TYR 256 N 1.72 3.20 -0.06 1.90 2.02 0.13 -4.30 117.35 121.96 3jww s TYR 256 Ca 0.00 -0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 56.38 3jww s TYR 256 Cb -0.16 -2.28 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 3jww s TYR 256 CO -0.07 -0.14 1.19 0.50 -1.57 0.00 0.00 175.55 175.46 3jww s ARG 257 N 1.42 4.35 0.69 -0.62 3.52 -1.26 -0.86 118.95 126.18 3jww s ARG 257 Ca 0.06 1.66 0.01 0.00 -0.13 0.00 0.00 55.73 57.34 3jww s ARG 257 Cb -0.15 -3.56 0.12 0.00 -1.56 0.00 0.00 34.95 29.80 3jww s ARG 257 CO 0.06 -0.45 0.94 -0.65 -0.81 0.00 0.00 175.30 174.40 3jww s GLN 258 N 2.24 1.83 0.26 5.12 -1.52 -0.66 -4.97 119.66 121.95 3jww s GLN 258 Ca 0.55 -1.20 0.23 0.00 -1.95 0.00 0.00 55.36 53.00 3jww s GLN 258 Cb -0.24 -2.40 0.25 0.00 -0.22 0.00 0.00 33.01 30.40 3jww s GLN 258 CO 0.22 -1.30 1.34 0.37 -0.25 0.00 0.00 175.29 175.66 3jww h GLN 259 N -0.37 0.00 0.00 2.91 4.15 -1.96 -3.19 115.11 116.65 3jww h GLN 259 Ca -0.35 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 3jww h GLN 259 Cb 1.27 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 3jww h GLN 259 CO 0.41 0.00 -0.19 -0.44 -1.93 0.00 0.00 178.83 176.68 3jww h ASP 260 N 0.00 0.00 0.00 -0.69 3.32 -2.02 -3.46 116.42 113.57 3jww h ASP 260 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jww h ASP 260 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3jww h ASP 260 CO 0.00 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 178.32 3jww n GLY 261 N -0.95 2.55 3.33 2.75 0.00 -1.21 -5.09 105.19 106.57 3jww n GLY 261 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3jww n GLY 261 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jww n SER 262 N 0.00 -2.65 -4.15 1.61 3.41 -1.26 -4.66 113.62 105.91 3jww n SER 262 Ca 0.00 -0.37 -0.27 0.00 -0.26 0.00 0.00 58.87 57.96 3jww n SER 262 Cb 0.00 -1.09 -0.16 0.00 -0.26 0.00 0.00 64.21 62.70 3jww n SER 262 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3jww s VAL 263 N -2.26 1.55 -0.17 -3.33 1.01 -1.26 -1.66 120.40 114.28 3jww s VAL 263 Ca 0.63 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3jww s VAL 263 Cb -0.18 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3jww s VAL 263 CO 0.61 0.44 0.03 -0.60 0.00 0.00 0.00 175.10 175.58 3jww s ARG 264 N 0.09 3.85 0.63 2.72 3.52 -0.04 -4.92 118.95 124.79 3jww s ARG 264 Ca -0.06 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 3jww s ARG 264 Cb -0.13 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3jww s ARG 264 CO 0.03 0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.21 3jww n GLY 265 N 3.48 0.27 3.53 8.12 0.00 -1.26 0.21 105.19 119.54 3jww n GLY 265 Ca -0.17 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3jww n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jww s ASP 266 N -4.00 6.25 0.33 1.61 -1.08 -0.33 -4.80 116.67 114.64 3jww s ASP 266 Ca 0.00 -0.28 0.26 0.00 -0.52 0.00 0.00 52.55 52.01 3jww s ASP 266 Cb 0.00 -2.24 1.13 0.00 -1.46 0.00 0.00 42.92 40.35 3jww s ASP 266 CO 0.00 -0.49 1.77 -0.65 0.52 0.00 0.00 175.17 176.31 3jww h PRO 267 N 8.57 0.00 0.00 4.34 0.11 -1.82 -2.10 132.00 141.09 3jww h PRO 267 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3jww h PRO 267 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3jww h PRO 267 CO 0.77 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.55 3jww h ALA 268 N 2.17 1.07 -0.04 -0.75 0.00 -1.92 -3.24 119.26 116.56 3jww h ALA 268 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jww h ALA 268 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3jww h ALA 268 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3jww n ASN 269 N -3.20 2.39 -0.04 0.00 3.02 -0.79 -4.71 115.26 111.93 3jww n ASN 269 Ca -0.02 -2.68 0.03 0.00 -0.03 0.00 0.00 54.58 51.88 3jww n ASN 269 Cb 0.12 -0.29 0.38 0.00 -0.61 0.00 0.00 39.78 39.38 3jww n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jww h VAL 270 N 0.24 1.13 0.19 2.41 2.07 -1.70 -0.58 116.25 120.00 3jww h VAL 270 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3jww h VAL 270 Cb 0.86 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3jww h VAL 270 CO 0.02 0.13 -0.09 -0.33 0.02 0.00 0.00 177.57 177.32 3jww h GLU 271 N 0.63 -0.24 -0.13 1.57 4.39 -1.88 -2.51 114.58 116.40 3jww h GLU 271 Ca 0.17 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 3jww h GLU 271 Cb -0.03 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3jww h GLU 271 CO -0.03 0.16 -0.32 0.97 -1.16 0.00 0.00 179.01 178.63 3jww h ILE 272 N -0.79 1.27 -0.22 3.13 6.09 -1.86 -0.40 117.51 124.73 3jww h ILE 272 Ca -0.03 -1.30 0.00 0.00 -1.37 0.00 0.00 64.86 62.17 3jww h ILE 272 Cb 0.52 1.52 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 3jww h ILE 272 CO 0.04 0.39 0.14 0.74 -3.07 0.00 0.00 178.15 176.39 3jww h THR 273 N 0.23 1.07 -0.25 2.19 2.02 -1.17 -0.59 112.91 116.40 3jww h THR 273 Ca 0.03 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 3jww h THR 273 Cb 0.68 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3jww h THR 273 CO 0.05 0.06 -0.19 -0.33 0.37 0.00 0.00 175.52 175.49 3jww h GLU 274 N 0.28 0.44 -0.29 6.66 5.08 -0.75 -1.41 114.58 124.58 3jww h GLU 274 Ca 0.08 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3jww h GLU 274 Cb -0.02 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3jww h GLU 274 CO -0.02 0.61 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.21 3jww h LEU 275 N 0.40 0.64 -0.75 1.33 3.38 -1.02 -2.56 115.31 116.73 3jww h LEU 275 Ca 0.07 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3jww h LEU 275 Cb 0.56 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3jww h LEU 275 CO 0.04 0.92 -0.05 0.00 0.09 0.00 0.00 178.44 179.44 3jww h ILE 277 N 0.82 1.32 0.00 0.00 2.04 -1.34 -0.67 117.51 119.68 3jww h ILE 277 Ca 0.15 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 3jww h ILE 277 Cb 0.56 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3jww h ILE 277 CO 0.03 0.41 -0.10 1.56 0.00 0.00 0.00 178.15 180.05 3jww h GLN 278 N 0.23 0.00 -0.29 2.37 4.20 -1.44 0.22 115.11 120.40 3jww h GLN 278 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3jww h GLN 278 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3jww h GLN 278 CO 0.05 0.10 0.00 0.72 -0.67 0.00 0.00 178.83 179.03 3jww n HIS 279 N -3.55 0.37 0.00 2.96 8.25 -0.82 -4.94 115.22 117.49 3jww n HIS 279 Ca -0.02 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3jww n HIS 279 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3jww n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jww n GLY 280 N 1.30 1.17 3.73 -1.41 0.00 0.07 -4.88 105.19 105.16 3jww n GLY 280 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3jww n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jww s TRP 281 N -2.00 3.20 -0.39 1.61 -0.00 -0.31 -4.98 118.94 116.07 3jww s TRP 281 Ca 0.00 1.05 -0.27 0.00 -0.00 0.00 0.00 56.10 56.88 3jww s TRP 281 Cb 0.00 -3.69 0.02 0.00 -0.00 0.00 0.00 33.47 29.79 3jww s TRP 281 CO 0.00 -2.32 0.98 0.99 -0.00 0.00 0.00 176.95 176.60 3jww s THR 282 N 0.52 4.50 0.57 5.86 2.01 -1.26 -4.52 115.64 123.32 3jww s THR 282 Ca 0.61 1.21 -0.06 0.00 0.31 0.00 0.00 61.69 63.76 3jww s THR 282 Cb -0.38 -4.40 -0.00 0.00 0.01 0.00 0.00 72.50 67.73 3jww s THR 282 CO 0.36 -0.64 0.88 -2.16 -0.69 0.00 0.00 174.62 172.36 3jww s PRO 283 N 3.68 3.06 0.00 4.92 0.04 -1.26 -5.11 135.00 140.33 3jww s PRO 283 Ca 0.40 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.48 3jww s PRO 283 Cb -0.11 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3jww s PRO 283 CO 0.21 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.07 3jww n GLY 284 N -2.52 1.75 1.20 0.56 0.00 -1.26 -5.10 105.19 99.83 3jww n GLY 284 Ca 0.04 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 3jww n GLY 284 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jww n ASN 285 N 0.00 -0.96 -4.95 1.61 6.94 -1.26 -5.10 115.26 111.53 3jww n ASN 285 Ca 0.00 -2.02 -0.22 0.00 -0.02 0.00 0.00 54.58 52.32 3jww n ASN 285 Cb 0.00 0.31 0.01 0.00 -2.36 0.00 0.00 39.78 37.75 3jww n ASN 285 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3jww s GLY 286 N -1.06 2.06 0.00 4.83 0.00 -1.26 -5.02 107.32 106.87 3jww s GLY 286 Ca 0.02 -1.74 0.27 0.00 0.00 0.00 0.00 44.72 43.27 3jww s GLY 286 CO -0.02 -1.76 1.60 0.54 0.00 0.00 0.00 173.10 173.46 3jww n ARG 287 N -1.89 0.33 -2.74 2.90 1.74 -1.26 -4.25 116.66 111.48 3jww n ARG 287 Ca 0.06 -0.16 -0.05 0.00 -0.77 0.00 0.00 57.85 56.93 3jww n ARG 287 Cb 0.62 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.61 3jww n ARG 287 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3jww n PHE 288 N -1.20 1.10 -3.05 -1.55 3.72 -1.26 -4.33 117.46 110.91 3jww n PHE 288 Ca 0.09 -2.49 -0.41 0.00 -0.05 0.00 0.00 57.45 54.59 3jww n PHE 288 Cb 0.33 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 3jww n PHE 288 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3jww s ASP 289 N -3.36 6.69 0.14 4.37 1.01 -1.26 -4.93 116.67 119.33 3jww s ASP 289 Ca 0.27 0.85 -0.31 0.00 0.71 0.00 0.00 52.55 54.07 3jww s ASP 289 Cb 0.40 -2.37 -0.08 0.00 1.01 0.00 0.00 42.92 41.88 3jww s ASP 289 CO 0.00 -0.38 1.38 -0.69 0.21 0.00 0.00 175.17 175.69 3jww s VAL 290 N 2.39 3.25 0.47 -1.27 1.01 -1.26 -0.94 120.40 124.05 3jww s VAL 290 Ca 0.30 0.93 -0.21 0.00 0.00 0.00 0.00 61.98 63.00 3jww s VAL 290 Cb -0.16 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 3jww s VAL 290 CO 0.09 0.09 1.03 -0.76 0.00 0.00 0.00 175.10 175.55 3jww s LEU 291 N 0.78 3.89 0.86 3.92 1.43 0.75 -4.87 118.68 125.43 3jww s LEU 291 Ca 0.63 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 3jww s LEU 291 Cb -0.37 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.44 3jww s LEU 291 CO 0.32 -0.69 1.10 -2.16 0.23 0.00 0.00 176.35 175.16 3jww s PRO 292 N -3.14 1.60 0.00 1.29 0.04 -1.26 -4.73 135.00 128.80 3jww s PRO 292 Ca 0.65 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 3jww s PRO 292 Cb -0.16 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 3jww s PRO 292 CO 0.20 -1.95 0.43 -0.51 0.04 0.00 0.00 177.00 175.20 3jww s LEU 293 N -5.98 4.47 -0.36 -3.56 1.02 0.26 -4.88 118.68 109.66 3jww s LEU 293 Ca 0.62 0.99 -0.06 0.00 0.02 0.00 0.00 54.13 55.71 3jww s LEU 293 Cb -0.16 -2.62 0.06 0.00 0.02 0.00 0.00 46.19 43.50 3jww s LEU 293 CO 0.55 0.31 0.13 -0.22 0.02 0.00 0.00 176.35 177.14 3jww s LEU 294 N -1.02 4.58 -0.13 1.79 2.96 -1.26 -0.82 118.68 124.77 3jww s LEU 294 Ca 0.24 -1.40 -0.02 0.00 -0.22 0.00 0.00 54.13 52.73 3jww s LEU 294 Cb -0.17 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3jww s LEU 294 CO 0.14 -0.40 -0.05 -0.76 -1.32 0.00 0.00 176.35 173.96 3jww s LEU 295 N 1.33 3.21 -0.13 -0.68 1.43 -0.26 -1.41 118.68 122.17 3jww s LEU 295 Ca 0.00 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3jww s LEU 295 Cb -0.21 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3jww s LEU 295 CO 0.01 0.22 -0.21 -1.58 0.23 0.00 0.00 176.35 175.02 3jww s GLN 296 N 0.04 2.89 0.13 1.70 0.74 0.80 -0.76 119.66 125.21 3jww s GLN 296 Ca -0.00 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.65 3jww s GLN 296 Cb -0.14 -2.35 -0.04 0.00 1.10 0.00 0.00 33.01 31.59 3jww s GLN 296 CO 0.03 -0.02 0.06 0.00 -0.55 0.00 0.00 175.29 174.81 3jww s ALA 297 N 0.84 3.43 -0.47 1.58 0.00 -1.26 -1.52 121.76 124.35 3jww s ALA 297 Ca -0.07 -1.19 -0.45 0.00 0.00 0.00 0.00 51.96 50.25 3jww s ALA 297 Cb -0.15 -1.26 -0.19 0.00 0.00 0.00 0.00 23.12 21.52 3jww s ALA 297 CO -0.02 0.59 1.75 -2.30 0.00 0.00 0.00 175.76 175.79 3jww n PRO 298 N 0.06 0.14 -1.60 0.00 -0.02 -1.22 -1.27 135.00 131.09 3jww n PRO 298 Ca -0.09 0.05 -0.15 0.00 -2.02 0.00 0.00 63.50 61.29 3jww n PRO 298 Cb 0.54 -1.58 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 3jww n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jww n ASP 299 N 5.09 -4.79 -4.60 2.55 8.00 -1.26 -4.91 116.55 116.63 3jww n ASP 299 Ca 0.36 0.30 -0.25 0.00 0.71 0.00 0.00 54.79 55.92 3jww n ASP 299 Cb -0.03 -3.68 -0.08 0.00 -0.02 0.00 0.00 41.12 37.30 3jww n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3jww s GLU 300 N -3.57 2.16 0.82 -1.24 2.02 -0.39 -5.11 118.70 113.40 3jww s GLU 300 Ca 0.00 -1.36 -0.11 0.00 0.02 0.00 0.00 54.97 53.51 3jww s GLU 300 Cb 0.00 -2.15 0.09 0.00 0.10 0.00 0.00 34.13 32.18 3jww s GLU 300 CO 0.00 0.40 1.14 0.00 0.02 0.00 0.00 175.26 176.82 3jww s ALA 301 N -2.05 1.88 0.62 5.21 0.00 -1.26 -4.61 121.76 121.55 3jww s ALA 301 Ca 0.28 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 3jww s ALA 301 Cb -0.07 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3jww s ALA 301 CO 0.18 -2.23 1.05 -1.25 0.00 0.00 0.00 175.76 173.50 3jww s PRO 302 N -4.53 3.28 0.17 0.00 0.04 -1.26 -4.65 135.00 128.05 3jww s PRO 302 Ca 0.67 1.05 0.08 0.00 0.04 0.00 0.00 61.00 62.83 3jww s PRO 302 Cb -0.22 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3jww s PRO 302 CO 0.54 -0.83 -0.02 -1.21 0.04 0.00 0.00 177.00 175.51 3jww s GLU 303 N -4.50 2.32 -0.11 4.56 2.02 0.06 -4.90 118.70 118.15 3jww s GLU 303 Ca 0.60 -1.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.39 3jww s GLU 303 Cb -0.14 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 3jww s GLU 303 CO 0.44 0.45 0.12 -1.17 0.02 0.00 0.00 175.26 175.12 3jww s LEU 304 N -2.90 4.25 -0.07 1.80 2.96 -1.26 -1.10 118.68 122.36 3jww s LEU 304 Ca 0.27 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.55 3jww s LEU 304 Cb -0.09 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.59 3jww s LEU 304 CO 0.18 0.40 0.17 -0.36 -1.32 0.00 0.00 176.35 175.42 3jww s PHE 305 N -1.02 -0.20 -0.21 5.38 0.40 -0.00 -4.96 117.98 117.37 3jww s PHE 305 Ca 0.15 0.55 -0.13 0.00 -0.60 0.00 0.00 56.93 56.90 3jww s PHE 305 Cb -0.12 -0.04 -0.05 0.00 0.51 0.00 0.00 43.02 43.33 3jww s PHE 305 CO 0.04 -0.17 0.27 0.08 0.70 0.00 0.00 175.22 176.13 3jww s VAL 306 N 1.08 5.30 0.18 -0.44 1.01 -1.26 0.90 120.40 127.17 3jww s VAL 306 Ca -0.08 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 3jww s VAL 306 Cb -0.10 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 3jww s VAL 306 CO -0.06 0.33 1.31 -0.76 0.00 0.00 0.00 175.10 175.92 3jww s LEU 307 N 1.00 4.41 0.25 3.92 1.43 -1.26 -4.97 118.68 123.45 3jww s LEU 307 Ca 0.13 2.37 -0.31 0.00 -1.03 0.00 0.00 54.13 55.29 3jww s LEU 307 Cb -0.14 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.36 3jww s LEU 307 CO 0.05 -0.53 1.65 -2.84 0.23 0.00 0.00 176.35 174.90 3jww s PRO 308 N 0.09 4.13 0.59 1.29 0.02 -1.26 -4.89 135.00 134.97 3jww s PRO 308 Ca 0.58 2.58 0.35 0.00 0.02 0.00 0.00 61.00 64.53 3jww s PRO 308 Cb -0.36 -3.05 1.84 0.00 0.02 0.00 0.00 34.50 32.95 3jww s PRO 308 CO 0.37 -0.68 2.19 -1.35 -0.33 0.00 0.00 177.00 177.19 3jww h PRO 309 N 5.73 0.00 0.00 5.54 0.11 -1.95 -1.53 132.00 139.91 3jww h PRO 309 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jww h PRO 309 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3jww h PRO 309 CO 0.87 0.04 -0.02 1.05 -0.21 0.00 0.00 178.00 179.73 3jww h GLU 310 N 0.00 0.00 0.00 1.05 9.09 -2.04 -2.94 114.58 119.74 3jww h GLU 310 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.30 3jww h GLU 310 Cb 0.21 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.30 3jww h GLU 310 CO 0.01 0.02 -0.52 -0.07 0.05 0.00 0.00 179.01 178.50 3jww h LEU 311 N 0.00 0.00 -7.90 3.06 4.07 -1.65 -3.42 115.31 109.47 3jww h LEU 311 Ca -0.00 0.00 -0.77 0.00 0.08 0.00 0.00 57.88 57.19 3jww h LEU 311 Cb 0.43 0.00 -0.27 0.00 1.08 0.00 0.00 40.66 41.90 3jww h LEU 311 CO 0.00 0.52 -0.10 -0.69 -1.08 0.00 0.00 178.44 177.10 3jww s VAL 312 N -3.15 5.17 0.10 1.22 1.01 -1.11 -4.82 120.40 118.82 3jww s VAL 312 Ca 0.02 -2.13 -0.31 0.00 0.00 0.00 0.00 61.98 59.56 3jww s VAL 312 Cb 0.09 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 3jww s VAL 312 CO 0.73 -0.94 1.28 -0.22 0.00 0.00 0.00 175.10 175.96 3jww s LEU 313 N 0.72 4.38 0.15 3.92 2.96 -1.26 -4.99 118.68 124.56 3jww s LEU 313 Ca 0.12 2.18 0.07 0.00 -0.22 0.00 0.00 54.13 56.28 3jww s LEU 313 Cb -0.19 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 3jww s LEU 313 CO -0.04 -0.54 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.70 3jww s GLU 314 N 0.89 1.14 -0.18 1.98 2.02 -1.26 -1.57 118.70 121.72 3jww s GLU 314 Ca 0.60 -1.35 0.01 0.00 0.02 0.00 0.00 54.97 54.25 3jww s GLU 314 Cb -0.33 -1.04 0.02 0.00 0.10 0.00 0.00 34.13 32.88 3jww s GLU 314 CO 0.31 0.20 -0.19 0.08 0.02 0.00 0.00 175.26 175.68 3jww s VAL 315 N -2.32 1.99 0.43 2.63 1.01 0.42 -4.94 120.40 119.61 3jww s VAL 315 Ca 0.13 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 3jww s VAL 315 Cb -0.04 -1.82 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 3jww s VAL 315 CO 0.04 0.50 1.00 -2.84 0.00 0.00 0.00 175.10 173.81 3jww s PRO 316 N 1.31 4.11 -0.13 2.72 0.02 -1.26 -2.31 135.00 139.46 3jww s PRO 316 Ca 0.04 1.31 -0.11 0.00 0.02 0.00 0.00 61.00 62.26 3jww s PRO 316 Cb -0.13 -2.30 -0.05 0.00 0.02 0.00 0.00 34.50 32.04 3jww s PRO 316 CO -0.12 -0.15 0.22 -0.51 -0.33 0.00 0.00 177.00 176.11 3jww s LEU 317 N -3.04 4.32 0.11 -5.54 1.43 -0.49 -4.84 118.68 110.63 3jww s LEU 317 Ca 0.62 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 3jww s LEU 317 Cb -0.15 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.83 3jww s LEU 317 CO 0.20 0.25 0.26 -1.83 0.23 0.00 0.00 176.35 175.46 3jww s GLU 318 N -0.28 0.96 0.06 1.70 -1.05 -1.26 -4.20 118.70 114.64 3jww s GLU 318 Ca 0.15 -0.94 0.01 0.00 -0.15 0.00 0.00 54.97 54.04 3jww s GLU 318 Cb -0.13 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.90 3jww s GLU 318 CO 0.04 -0.34 0.15 -1.58 0.95 0.00 0.00 175.26 174.48 3jww s HIS 319 N -3.87 3.38 0.27 4.83 5.65 -1.26 -4.36 115.29 119.93 3jww s HIS 319 Ca 0.07 0.19 0.24 0.00 0.25 0.00 0.00 55.06 55.80 3jww s HIS 319 Cb 0.04 -1.71 1.08 0.00 -1.18 0.00 0.00 32.58 30.81 3jww s HIS 319 CO -0.09 0.56 1.91 -1.00 -0.65 0.00 0.00 174.74 175.47 3jww h PRO 320 N 3.28 0.00 0.00 2.88 0.13 -1.94 -3.40 132.00 132.96 3jww h PRO 320 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3jww h PRO 320 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3jww h PRO 320 CO 0.71 0.22 -0.89 0.25 -0.23 0.00 0.00 178.00 178.05 3jww n THR 321 N -3.56 0.02 -2.11 1.56 -2.24 -1.26 -4.97 114.28 101.72 3jww n THR 321 Ca -0.01 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3jww n THR 321 Cb 0.36 -1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 67.16 3jww n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jww s LEU 322 N -5.92 3.45 0.35 3.22 1.43 -1.26 -4.82 118.68 115.12 3jww s LEU 322 Ca 0.00 0.86 0.18 0.00 -1.03 0.00 0.00 54.13 54.14 3jww s LEU 322 Cb 0.00 -3.21 0.50 0.00 0.03 0.00 0.00 46.19 43.51 3jww s LEU 322 CO 0.00 -1.84 1.64 -0.33 0.23 0.00 0.00 176.35 176.05 3jww h GLU 323 N 12.89 0.00 0.00 1.70 5.08 -1.93 -2.86 114.58 129.46 3jww h GLU 323 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3jww h GLU 323 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3jww h GLU 323 CO 1.11 0.41 0.00 -2.67 -1.00 0.00 0.00 179.01 176.86 3jww n TRP 324 N -3.42 0.58 -0.25 4.33 4.27 -1.26 -3.95 117.44 117.74 3jww n TRP 324 Ca 0.00 0.19 -0.07 0.00 -3.89 0.00 0.00 57.50 53.74 3jww n TRP 324 Cb 0.58 -0.82 0.05 0.00 -1.36 0.00 0.00 31.31 29.76 3jww n TRP 324 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jww h PHE 325 N 0.00 1.06 0.00 -2.67 3.04 -1.89 -2.17 116.94 114.31 3jww h PHE 325 Ca 0.00 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.87 3jww h PHE 325 Cb 0.50 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.69 3jww h PHE 325 CO 0.00 0.82 -0.01 0.00 -2.02 0.00 0.00 178.31 177.10 3jww h ALA 326 N 1.13 1.03 0.00 2.41 0.00 -1.73 -2.01 119.26 120.09 3jww h ALA 326 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3jww h ALA 326 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3jww h ALA 326 CO -0.02 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3jww n ALA 327 N -2.10 2.36 0.16 0.00 0.00 -0.82 -2.89 120.51 117.21 3jww n ALA 327 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.36 3jww n ALA 327 Cb 0.18 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.29 3jww n ALA 327 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3jww h LEU 328 N 0.00 0.00 0.01 0.00 4.07 -1.46 -3.48 115.31 114.45 3jww h LEU 328 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3jww h LEU 328 Cb 0.13 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 3jww h LEU 328 CO 0.00 0.22 -0.00 0.61 -1.08 0.00 0.00 178.44 178.19 3jww n GLY 329 N 1.18 0.39 3.80 0.83 0.00 -1.14 -5.01 105.19 105.23 3jww n GLY 329 Ca 0.02 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 3jww n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jww s LEU 330 N -0.05 4.11 0.05 0.99 1.43 -1.26 -4.98 118.68 118.98 3jww s LEU 330 Ca 0.00 1.83 -0.24 0.00 -1.03 0.00 0.00 54.13 54.70 3jww s LEU 330 Cb 0.00 -4.28 0.06 0.00 0.03 0.00 0.00 46.19 41.99 3jww s LEU 330 CO 0.00 -0.32 0.56 0.00 0.23 0.00 0.00 176.35 176.82 3jww s ARG 331 N -2.65 1.08 0.05 1.70 1.70 -1.26 -1.40 118.95 118.17 3jww s ARG 331 Ca 0.57 -0.21 -0.03 0.00 -0.47 0.00 0.00 55.73 55.60 3jww s ARG 331 Cb -0.16 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 3jww s ARG 331 CO 0.20 -0.40 0.02 -0.46 -1.08 0.00 0.00 175.30 173.58 3jww s TRP 332 N -2.51 0.37 0.44 5.89 -0.11 -0.98 -4.98 118.94 117.06 3jww s TRP 332 Ca -0.05 -0.80 -0.10 0.00 1.22 0.00 0.00 56.10 56.37 3jww s TRP 332 Cb -0.01 -0.27 -0.06 0.00 -1.50 0.00 0.00 33.47 31.64 3jww s TRP 332 CO -0.02 -0.36 0.81 1.52 -4.62 0.00 0.00 176.95 174.28 3jww s TYR 333 N -3.18 3.49 0.10 5.86 -0.85 -1.26 -0.44 117.35 121.07 3jww s TYR 333 Ca 0.00 1.06 0.08 0.00 -0.52 0.00 0.00 57.07 57.69 3jww s TYR 333 Cb 0.02 -2.47 -0.20 0.00 0.38 0.00 0.00 41.96 39.70 3jww s TYR 333 CO -0.07 -0.20 1.26 0.00 -1.52 0.00 0.00 175.55 175.02 3jww h ALA 334 N 0.94 0.39 -3.10 9.51 0.00 -1.66 -3.45 119.26 121.89 3jww h ALA 334 Ca -0.47 -0.91 -0.68 0.00 0.00 0.00 0.00 54.91 52.85 3jww h ALA 334 Cb 1.19 -0.13 -0.28 0.00 0.00 0.00 0.00 17.79 18.58 3jww h ALA 334 CO 0.63 1.23 -0.65 -1.17 0.00 0.00 0.00 179.25 179.30 3jww s LEU 335 N -6.67 3.80 -0.28 0.00 2.96 -1.26 -4.46 118.68 112.77 3jww s LEU 335 Ca 0.01 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 52.92 3jww s LEU 335 Cb 0.10 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3jww s LEU 335 CO 0.82 -0.20 0.53 -2.16 -1.32 0.00 0.00 176.35 174.02 3jww s PRO 336 N 1.44 3.99 -0.39 0.98 0.04 -1.26 -4.70 135.00 135.10 3jww s PRO 336 Ca 0.01 0.26 0.01 0.00 0.04 0.00 0.00 61.00 61.32 3jww s PRO 336 Cb -0.17 -3.68 0.13 0.00 0.04 0.00 0.00 34.50 30.82 3jww s PRO 336 CO 0.01 -0.42 0.21 0.00 0.04 0.00 0.00 177.00 176.84 3jww s ALA 337 N 2.36 1.57 0.25 8.56 0.00 -1.26 -2.94 121.76 130.29 3jww s ALA 337 Ca 0.21 -2.19 -0.30 0.00 0.00 0.00 0.00 51.96 49.69 3jww s ALA 337 Cb -0.15 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.13 3jww s ALA 337 CO 0.10 -2.04 1.31 0.08 0.00 0.00 0.00 175.76 175.21 3jww s VAL 338 N 0.79 3.03 0.00 0.00 1.01 -0.31 -1.41 120.40 123.51 3jww s VAL 338 Ca 0.17 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.06 3jww s VAL 338 Cb -0.23 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3jww s VAL 338 CO -0.02 0.16 0.12 -1.54 0.00 0.00 0.00 175.10 173.82 3jww n SER 339 N 2.00 0.24 -0.25 3.32 3.41 -0.56 -1.29 113.62 120.49 3jww n SER 339 Ca 0.04 -0.91 0.02 0.00 -0.26 0.00 0.00 58.87 57.76 3jww n SER 339 Cb 0.42 0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 3jww n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jww n ASN 340 N -0.03 2.15 -4.82 4.04 2.04 -1.24 -4.50 115.26 112.90 3jww n ASN 340 Ca 0.00 -1.80 -0.33 0.00 -0.44 0.00 0.00 54.58 52.01 3jww n ASN 340 Cb 0.16 -0.07 -0.07 0.00 -2.53 0.00 0.00 39.78 37.27 3jww n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3jww s MET 341 N -0.85 4.23 -0.25 -3.83 -1.94 -1.26 -4.46 119.30 110.94 3jww s MET 341 Ca 0.09 1.09 -0.09 0.00 -1.71 0.00 0.00 55.69 55.07 3jww s MET 341 Cb 0.05 -2.26 -0.04 0.00 2.01 0.00 0.00 34.83 34.59 3jww s MET 341 CO 0.07 0.02 0.11 -1.17 -0.01 0.00 0.00 175.02 174.03 3jww s LEU 342 N -3.06 3.66 -0.16 -0.03 0.20 -0.25 -4.42 118.68 114.62 3jww s LEU 342 Ca 0.60 -0.12 -0.19 0.00 0.69 0.00 0.00 54.13 55.11 3jww s LEU 342 Cb -0.10 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 3jww s LEU 342 CO 0.14 -0.02 0.53 -0.22 -0.29 0.00 0.00 176.35 176.50 3jww s LEU 343 N 1.54 4.21 -0.14 -0.68 2.96 -0.98 -0.84 118.68 124.77 3jww s LEU 343 Ca 0.06 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 3jww s LEU 343 Cb -0.15 -2.76 0.01 0.00 0.50 0.00 0.00 46.19 43.79 3jww s LEU 343 CO 0.06 -0.12 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.08 3jww s GLU 344 N 1.22 2.67 -0.08 1.98 -6.30 0.04 -0.18 118.70 118.04 3jww s GLU 344 Ca 0.27 -0.72 0.01 0.00 -2.50 0.00 0.00 54.97 52.03 3jww s GLU 344 Cb -0.16 -2.24 0.02 0.00 0.00 0.00 0.00 34.13 31.76 3jww s GLU 344 CO 0.11 -0.08 -0.10 0.42 0.02 0.00 0.00 175.26 175.63 3jww s ILE 345 N 1.01 1.04 -1.66 -3.70 1.01 -0.15 -1.93 121.20 116.82 3jww s ILE 345 Ca -0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 3jww s ILE 345 Cb -0.15 -1.00 0.12 0.00 0.01 0.00 0.00 42.46 41.44 3jww s ILE 345 CO -0.04 0.35 0.31 0.61 0.00 0.00 0.00 174.94 176.17 3jww n GLY 346 N 4.28 -0.26 2.17 6.18 0.00 -1.26 0.62 105.19 116.91 3jww n GLY 346 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3jww n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jww n GLY 347 N -1.73 2.61 3.78 -0.02 0.00 -1.26 -3.37 105.19 105.20 3jww n GLY 347 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3jww n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jww s LEU 348 N 0.00 4.51 -0.22 0.99 1.43 0.20 -5.04 118.68 120.55 3jww s LEU 348 Ca 0.00 1.66 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 3jww s LEU 348 Cb 0.00 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 3jww s LEU 348 CO 0.00 0.12 -0.03 -1.61 0.23 0.00 0.00 176.35 175.06 3jww s GLU 349 N -1.47 3.36 -0.67 1.70 2.02 -1.26 -0.98 118.70 121.40 3jww s GLU 349 Ca 0.40 -0.64 -0.13 0.00 0.02 0.00 0.00 54.97 54.62 3jww s GLU 349 Cb -0.21 -3.03 0.17 0.00 0.10 0.00 0.00 34.13 31.15 3jww s GLU 349 CO 0.25 -0.21 0.60 -0.06 0.02 0.00 0.00 175.26 175.86 3jww s PHE 350 N 1.48 3.51 -1.15 1.61 0.40 0.75 -1.33 117.98 123.25 3jww s PHE 350 Ca 0.06 -1.77 0.05 0.00 -0.60 0.00 0.00 56.93 54.66 3jww s PHE 350 Cb -0.14 -3.73 0.22 0.00 0.51 0.00 0.00 43.02 39.87 3jww s PHE 350 CO -0.03 -0.99 1.10 -1.13 0.70 0.00 0.00 175.22 174.87 3jww n SER 351 N 4.51 0.00 -3.55 1.36 3.41 -1.26 -2.31 113.62 115.78 3jww n SER 351 Ca 0.01 0.40 -0.23 0.00 -0.26 0.00 0.00 58.87 58.79 3jww n SER 351 Cb 0.43 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 3jww n SER 351 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jww s ALA 352 N -2.85 0.11 -0.41 7.33 0.00 -1.25 -4.65 121.76 120.05 3jww s ALA 352 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.93 3jww s ALA 352 Cb 0.03 -1.18 0.26 0.00 0.00 0.00 0.00 23.12 22.23 3jww s ALA 352 CO 0.08 -1.21 1.08 0.00 0.00 0.00 0.00 175.76 175.72 3jww n ALA 353 N 5.30 -2.43 -1.79 0.00 0.00 -1.26 -2.03 120.51 118.30 3jww n ALA 353 Ca -0.06 -0.87 -0.41 0.00 0.00 0.00 0.00 53.44 52.10 3jww n ALA 353 Cb 0.49 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 3jww n ALA 353 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jww s PRO 354 N 0.38 4.17 0.12 0.00 0.04 -1.24 -4.64 135.00 133.83 3jww s PRO 354 Ca 0.28 2.49 0.05 0.00 0.04 0.00 0.00 61.00 63.86 3jww s PRO 354 Cb 0.23 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 3jww s PRO 354 CO -0.16 -0.52 -0.13 -0.59 0.04 0.00 0.00 177.00 175.64 3jww s PHE 355 N -0.43 1.31 -0.02 0.56 -0.12 -0.41 -2.21 117.98 116.66 3jww s PHE 355 Ca 0.58 -0.60 -0.09 0.00 -0.05 0.00 0.00 56.93 56.77 3jww s PHE 355 Cb -0.45 -0.69 0.01 0.00 -0.63 0.00 0.00 43.02 41.26 3jww s PHE 355 CO 0.52 0.11 0.20 -1.54 -0.05 0.00 0.00 175.22 174.46 3jww s SER 356 N -2.55 -0.08 0.00 1.98 1.04 -0.48 -1.16 113.70 112.44 3jww s SER 356 Ca 0.09 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3jww s SER 356 Cb -0.04 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3jww s SER 356 CO 0.02 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3jww n GLY 357 N 1.70 4.81 3.35 7.32 0.00 -1.15 -2.36 105.19 118.85 3jww n GLY 357 Ca -0.20 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 3jww n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jww s TRP 358 N 3.34 1.77 0.50 1.61 -2.14 -1.26 -4.42 118.94 118.33 3jww s TRP 358 Ca 0.00 -0.53 -0.22 0.00 2.66 0.00 0.00 56.10 58.01 3jww s TRP 358 Cb 0.00 -0.83 -0.06 0.00 -3.10 0.00 0.00 33.47 29.47 3jww s TRP 358 CO 0.00 0.37 1.19 0.71 -2.66 0.00 0.00 176.95 176.57 3jww s TYR 359 N -2.71 2.72 -0.02 1.66 2.02 -1.26 -4.92 117.35 114.84 3jww s TYR 359 Ca 0.21 1.51 -0.17 0.00 -0.37 0.00 0.00 57.07 58.25 3jww s TYR 359 Cb -0.02 -3.44 -0.05 0.00 -0.40 0.00 0.00 41.96 38.05 3jww s TYR 359 CO 0.07 -1.78 0.47 1.41 -1.57 0.00 0.00 175.55 174.16 3jww s MET 360 N -2.87 4.12 0.50 -0.62 -2.45 -1.26 -1.39 119.30 115.33 3jww s MET 360 Ca 0.67 0.51 0.16 0.00 -1.25 0.00 0.00 55.69 55.78 3jww s MET 360 Cb -0.30 -3.29 1.20 0.00 1.25 0.00 0.00 34.83 33.69 3jww s MET 360 CO 0.35 0.51 2.10 0.66 1.05 0.00 0.00 175.02 179.69 3jww h SER 361 N 5.28 0.11 0.73 1.11 4.64 -1.31 -0.37 113.55 123.74 3jww h SER 361 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3jww h SER 361 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3jww h SER 361 CO 0.66 0.07 0.00 0.71 -0.87 0.00 0.00 176.83 177.41 3jww h THR 362 N 0.12 0.00 -0.65 2.95 1.35 -1.95 -0.67 112.91 114.05 3jww h THR 362 Ca 0.08 -0.36 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 3jww h THR 362 Cb 0.19 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 3jww h THR 362 CO -0.01 0.00 0.34 -0.33 -0.25 0.00 0.00 175.52 175.27 3jww h GLU 363 N 0.00 0.93 0.00 4.72 5.08 -1.47 -1.81 114.58 122.04 3jww h GLU 363 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3jww h GLU 363 Cb 0.37 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3jww h GLU 363 CO 0.00 0.72 -0.19 0.82 -1.00 0.00 0.00 179.01 179.36 3jww h ILE 364 N 0.90 0.00 -0.09 3.13 2.04 -1.66 -1.95 117.51 119.87 3jww h ILE 364 Ca 0.23 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3jww h ILE 364 Cb 0.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 3jww h ILE 364 CO -0.03 0.00 -0.11 1.23 0.00 0.00 0.00 178.15 179.24 3jww h GLY 365 N -0.73 0.15 0.00 5.37 0.00 -1.25 -1.02 103.07 105.59 3jww h GLY 365 Ca 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 47.33 46.93 3jww h GLY 365 CO 0.00 0.08 -2.11 2.41 0.00 0.00 0.00 176.54 176.92 3jww n THR 366 N -4.33 1.10 -0.04 4.70 -1.04 -0.75 -4.11 114.28 109.81 3jww n THR 366 Ca -0.01 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3jww n THR 366 Cb 0.23 -1.54 -0.00 0.00 -1.82 0.00 0.00 70.33 67.19 3jww n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3jww h ARG 367 N -0.45 0.00 -0.78 -2.82 2.47 -1.37 -2.92 114.38 108.52 3jww h ARG 367 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3jww h ARG 367 Cb 1.53 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.81 3jww h ARG 367 CO -0.22 0.00 0.49 -0.91 0.56 0.00 0.00 179.97 179.89 3jww h ASN 368 N -0.77 0.92 0.41 7.04 2.35 -1.19 0.13 115.58 124.46 3jww h ASN 368 Ca 0.00 -0.05 -0.31 0.00 -0.55 0.00 0.00 56.30 55.39 3jww h ASN 368 Cb 0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3jww h ASN 368 CO 0.00 0.69 -1.63 -0.07 -1.65 0.00 0.00 177.43 174.77 3jww h LEU 369 N 1.06 0.33 0.00 1.61 3.38 -1.40 -2.47 115.31 117.81 3jww h LEU 369 Ca 0.28 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3jww h LEU 369 Cb -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3jww h LEU 369 CO -0.06 1.44 -0.93 0.00 0.09 0.00 0.00 178.44 178.99 3jww n ASP 371 N -1.50 3.00 -0.30 0.00 8.00 0.45 -4.50 116.55 121.70 3jww n ASP 371 Ca 0.02 1.14 0.19 0.00 0.71 0.00 0.00 54.79 56.86 3jww n ASP 371 Cb 0.29 -1.47 0.47 0.00 -0.02 0.00 0.00 41.12 40.39 3jww n ASP 371 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3jww h PRO 372 N 4.34 0.47 -0.62 -0.24 0.11 -1.94 -2.18 132.00 131.94 3jww h PRO 372 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jww h PRO 372 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3jww h PRO 372 CO 0.76 0.31 0.00 -2.39 -0.21 0.00 0.00 178.00 176.48 3jww n HIS 373 N -4.61 1.04 0.00 0.65 1.44 -1.26 -4.68 115.22 107.79 3jww n HIS 373 Ca 0.22 -0.45 0.00 0.00 -2.01 0.00 0.00 57.72 55.48 3jww n HIS 373 Cb 0.73 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.73 3jww n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3jww n ARG 374 N 1.07 0.00 -0.07 -1.40 5.12 -0.83 -4.46 116.66 116.08 3jww n ARG 374 Ca 0.21 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.04 3jww n ARG 374 Cb 0.64 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 32.01 3jww n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jww h TYR 375 N 0.00 0.87 -4.88 -1.55 -1.99 -1.57 -3.42 116.97 104.42 3jww h TYR 375 Ca 0.00 -0.23 -0.30 0.00 2.00 0.00 0.00 58.73 60.20 3jww h TYR 375 Cb 0.00 -0.20 0.12 0.00 2.00 0.00 0.00 36.73 38.65 3jww h TYR 375 CO 0.00 0.97 -0.57 -1.71 -0.00 0.00 0.00 178.16 176.85 3jww n ASN 376 N -4.07 -4.29 -0.57 3.88 4.05 -0.35 -4.90 115.26 109.00 3jww n ASN 376 Ca -0.01 -0.45 0.10 0.00 0.45 0.00 0.00 54.58 54.67 3jww n ASN 376 Cb 0.48 -4.15 0.35 0.00 1.23 0.00 0.00 39.78 37.69 3jww n ASN 376 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jww n ILE 377 N -4.15 0.25 0.10 -1.44 -5.35 -0.37 -4.48 119.36 103.91 3jww n ILE 377 Ca -0.08 -0.37 -0.12 0.00 -0.27 0.00 0.00 62.75 61.91 3jww n ILE 377 Cb 0.58 0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 38.78 3jww n ILE 377 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3jww h LEU 378 N 2.22 -0.56 -0.54 7.28 5.85 -1.87 -1.77 115.31 125.91 3jww h LEU 378 Ca 0.00 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3jww h LEU 378 Cb 0.49 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 3jww h LEU 378 CO 0.00 -0.28 0.22 -0.33 -0.34 0.00 0.00 178.44 177.71 3jww h GLU 379 N -0.37 0.41 0.16 1.25 5.08 -1.98 -0.22 114.58 118.90 3jww h GLU 379 Ca 0.03 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3jww h GLU 379 Cb 0.40 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3jww h GLU 379 CO -0.12 0.27 -0.42 -0.44 -1.00 0.00 0.00 179.01 177.30 3jww h ASP 380 N 0.42 -1.24 -0.66 1.42 3.32 -1.77 -0.21 116.42 117.69 3jww h ASP 380 Ca 0.26 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 3jww h ASP 380 Cb 0.26 0.46 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 3jww h ASP 380 CO -0.24 -0.50 0.28 0.58 -1.72 0.00 0.00 179.24 177.63 3jww h VAL 381 N -0.68 1.23 -0.61 -1.35 2.07 -1.03 -1.77 116.25 114.11 3jww h VAL 381 Ca 0.01 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3jww h VAL 381 Cb 0.69 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3jww h VAL 381 CO -0.22 0.28 0.26 0.00 0.02 0.00 0.00 177.57 177.91 3jww h ALA 382 N 1.12 0.79 -0.18 1.67 0.00 -0.89 0.15 119.26 121.92 3jww h ALA 382 Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3jww h ALA 382 Cb 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3jww h ALA 382 CO -0.02 0.38 -0.11 0.28 0.00 0.00 0.00 179.25 179.79 3jww h VAL 383 N 0.84 0.67 -0.30 0.00 2.07 -0.56 -0.85 116.25 118.12 3jww h VAL 383 Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.78 3jww h VAL 383 Cb 0.17 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3jww h VAL 383 CO -0.02 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.78 3jww n MET 385 N -4.48 1.27 -2.08 0.00 2.81 0.49 -4.92 117.12 110.22 3jww n MET 385 Ca 0.03 -0.46 -0.14 0.00 -1.81 0.00 0.00 57.70 55.33 3jww n MET 385 Cb 0.27 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.27 3jww n MET 385 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jww n ASP 386 N -0.47 -4.28 -4.88 7.83 2.03 -0.02 -5.00 116.55 111.75 3jww n ASP 386 Ca 0.21 0.06 -0.29 0.00 0.52 0.00 0.00 54.79 55.28 3jww n ASP 386 Cb 0.24 -3.36 -0.01 0.00 -0.72 0.00 0.00 41.12 37.27 3jww n ASP 386 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jww s LEU 387 N -3.72 3.59 -0.89 -2.67 1.43 -0.43 -5.00 118.68 111.00 3jww s LEU 387 Ca 0.00 1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 54.00 3jww s LEU 387 Cb 0.00 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.17 3jww s LEU 387 CO 0.00 -0.60 1.34 -0.62 0.23 0.00 0.00 176.35 176.70 3jww s ASP 388 N -3.78 6.36 0.00 2.29 -1.08 -1.26 -4.73 116.67 114.46 3jww s ASP 388 Ca 0.51 -1.07 0.16 0.00 -0.52 0.00 0.00 52.55 51.62 3jww s ASP 388 Cb -0.10 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.47 3jww s ASP 388 CO 0.42 -1.61 1.46 0.35 0.52 0.00 0.00 175.17 176.32 3jww n THR 389 N 6.55 0.19 0.90 1.71 -2.24 -1.26 -3.74 114.28 116.38 3jww n THR 389 Ca 0.19 -0.25 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 3jww n THR 389 Cb 0.50 0.13 0.29 0.00 -2.10 0.00 0.00 70.33 69.16 3jww n THR 389 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3jww n ARG 390 N -0.01 2.09 -3.69 -0.78 1.85 -1.26 -4.88 116.66 109.98 3jww n ARG 390 Ca 0.13 -1.63 -0.10 0.00 -1.00 0.00 0.00 57.85 55.25 3jww n ARG 390 Cb 0.22 -1.46 -0.11 0.00 -1.05 0.00 0.00 32.46 30.06 3jww n ARG 390 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3jww s THR 391 N -1.74 -0.06 0.40 8.89 -1.32 -1.25 -5.03 115.64 115.54 3jww s THR 391 Ca 0.35 0.10 0.14 0.00 -1.21 0.00 0.00 61.69 61.07 3jww s THR 391 Cb 0.20 -0.60 0.35 0.00 -1.51 0.00 0.00 72.50 70.94 3jww s THR 391 CO 0.29 0.04 1.89 0.71 -2.21 0.00 0.00 174.62 175.35 3jww h THR 392 N 5.61 0.79 -0.00 5.08 1.35 -1.89 -2.84 112.91 121.00 3jww h THR 392 Ca -0.36 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3jww h THR 392 Cb 1.18 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3jww h THR 392 CO 0.29 0.09 -0.00 -1.54 -0.25 0.00 0.00 175.52 174.11 3jww n SER 393 N -4.51 0.10 0.00 5.36 3.41 -1.26 -2.14 113.62 114.58 3jww n SER 393 Ca 0.16 -0.98 0.14 0.00 -0.26 0.00 0.00 58.87 57.93 3jww n SER 393 Cb 0.54 -0.02 0.72 0.00 -0.26 0.00 0.00 64.21 65.19 3jww n SER 393 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jww n SER 394 N -0.94 0.00 -3.70 4.04 3.41 -1.07 -4.91 113.62 110.44 3jww n SER 394 Ca 0.23 -0.27 -0.28 0.00 -0.26 0.00 0.00 58.87 58.28 3jww n SER 394 Cb 0.14 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3jww n SER 394 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jww n LEU 395 N -1.22 -1.98 0.09 1.04 4.77 -0.91 -4.86 117.00 113.92 3jww n LEU 395 Ca 0.15 -0.64 -0.08 0.00 -0.03 0.00 0.00 56.01 55.41 3jww n LEU 395 Cb 0.19 -2.31 0.01 0.00 -2.33 0.00 0.00 43.42 38.98 3jww n LEU 395 CO 0.20 0.29 0.28 4.11 -1.33 0.00 0.00 177.39 180.94 3jww h TRP 396 N -1.48 0.28 -0.55 -1.77 5.08 -1.84 -2.11 115.95 113.56 3jww h TRP 396 Ca -0.52 -0.15 -0.06 0.00 1.08 0.00 0.00 58.89 59.24 3jww h TRP 396 Cb 1.34 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 27.45 3jww h TRP 396 CO 0.62 0.95 0.09 0.87 -1.28 0.00 0.00 178.44 179.69 3jww h LYS 397 N 0.11 0.91 -0.15 0.12 1.57 -1.89 -2.66 116.57 114.58 3jww h LYS 397 Ca -0.04 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3jww h LYS 397 Cb 1.46 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 3jww h LYS 397 CO 0.13 0.88 0.07 -0.44 -0.57 0.00 0.00 179.45 179.51 3jww h ASP 398 N 0.80 0.19 -0.38 0.86 5.19 -1.88 -1.51 116.42 119.69 3jww h ASP 398 Ca 0.17 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3jww h ASP 398 Cb 0.40 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 3jww h ASP 398 CO 0.01 0.28 0.23 0.11 -3.12 0.00 0.00 179.24 176.75 3jww h LYS 399 N 0.10 0.54 0.14 3.56 1.57 -1.37 -2.02 116.57 119.09 3jww h LYS 399 Ca 0.05 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 3jww h LYS 399 Cb 0.14 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.34 3jww h LYS 399 CO -0.01 0.39 -1.36 0.00 -0.57 0.00 0.00 179.45 177.90 3jww h ALA 400 N 1.70 0.12 -0.64 3.86 0.00 -1.27 -3.06 119.26 119.97 3jww h ALA 400 Ca 0.14 -0.95 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 3jww h ALA 400 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3jww h ALA 400 CO -0.03 0.99 0.06 0.00 0.00 0.00 0.00 179.25 180.27 3jww h ALA 401 N 0.50 0.86 -0.83 0.00 0.00 -1.01 -0.92 119.26 117.85 3jww h ALA 401 Ca -0.18 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.54 3jww h ALA 401 Cb 2.01 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.48 3jww h ALA 401 CO 0.20 0.66 0.47 0.28 0.00 0.00 0.00 179.25 180.86 3jww h VAL 402 N 1.01 0.86 0.12 0.00 2.07 -1.42 0.19 116.25 119.08 3jww h VAL 402 Ca 0.19 -0.26 -0.27 0.00 0.82 0.00 0.00 66.70 67.18 3jww h VAL 402 Cb 0.50 0.04 0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3jww h VAL 402 CO 0.02 0.14 -1.14 -0.33 0.02 0.00 0.00 177.57 176.28 3jww h GLU 403 N 0.75 0.56 -0.93 1.57 4.39 -1.37 0.11 114.58 119.66 3jww h GLU 403 Ca 0.42 -0.76 0.11 0.00 0.34 0.00 0.00 59.36 59.46 3jww h GLU 403 Cb 0.44 0.26 -0.07 0.00 -0.10 0.00 0.00 28.75 29.28 3jww h GLU 403 CO -0.28 1.34 0.60 0.82 -1.16 0.00 0.00 179.01 180.33 3jww h ILE 404 N 0.14 0.95 -0.18 3.13 2.04 -1.04 0.34 117.51 122.89 3jww h ILE 404 Ca -0.18 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3jww h ILE 404 Cb 1.84 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3jww h ILE 404 CO 0.22 0.17 -0.07 0.78 0.00 0.00 0.00 178.15 179.24 3jww h ASN 405 N 0.91 0.38 -0.37 1.72 2.35 -0.71 -0.91 115.58 118.95 3jww h ASN 405 Ca 0.44 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3jww h ASN 405 Cb 0.45 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3jww h ASN 405 CO -0.20 0.69 0.18 0.25 -1.65 0.00 0.00 177.43 176.70 3jww h LEU 406 N 0.06 0.52 -0.49 1.61 5.85 -0.48 -1.65 115.31 120.73 3jww h LEU 406 Ca 0.04 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 3jww h LEU 406 Cb 0.54 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3jww h LEU 406 CO 0.02 0.46 -0.17 0.00 -0.34 0.00 0.00 178.44 178.42 3jww h ALA 407 N 1.63 0.68 -0.30 1.25 0.00 -0.10 0.25 119.26 122.67 3jww h ALA 407 Ca 0.15 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3jww h ALA 407 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3jww h ALA 407 CO -0.02 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.23 3jww h VAL 408 N 0.84 0.89 0.00 0.00 2.07 -0.28 -2.17 116.25 117.61 3jww h VAL 408 Ca 0.12 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 3jww h VAL 408 Cb 0.74 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3jww h VAL 408 CO 0.06 0.04 -0.00 -0.07 0.02 0.00 0.00 177.57 177.61 3jww h LEU 409 N 0.21 -0.01 -1.30 2.57 3.38 -0.97 -2.69 115.31 116.50 3jww h LEU 409 Ca 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3jww h LEU 409 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3jww h LEU 409 CO -0.15 0.18 0.16 -0.74 0.09 0.00 0.00 178.44 177.98 3jww h HIS 410 N -0.19 0.64 -0.17 1.13 2.76 -0.89 -1.71 115.15 116.73 3jww h HIS 410 Ca -0.00 -0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.01 3jww h HIS 410 Cb 0.19 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.95 3jww h HIS 410 CO -0.01 0.51 -0.41 0.77 -1.30 0.00 0.00 177.93 177.49 3jww h SER 411 N 0.63 0.66 -0.54 3.26 0.02 -1.19 -1.26 113.55 115.13 3jww h SER 411 Ca 0.15 -0.57 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 3jww h SER 411 Cb 0.15 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3jww h SER 411 CO -0.01 1.11 0.15 -0.26 -1.14 0.00 0.00 176.83 176.68 3jww h PHE 412 N 0.23 0.89 0.17 3.45 -1.00 -1.35 -0.25 116.94 119.08 3jww h PHE 412 Ca -0.00 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 3jww h PHE 412 Cb 1.02 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 3jww h PHE 412 CO 0.10 0.76 -0.10 1.96 -1.61 0.00 0.00 178.31 179.42 3jww h GLN 413 N 0.75 -0.25 -0.35 1.51 4.20 -1.31 -0.11 115.11 119.56 3jww h GLN 413 Ca 0.17 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.97 3jww h GLN 413 Cb 0.31 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 3jww h GLN 413 CO -0.00 -0.17 -0.05 1.25 -0.67 0.00 0.00 178.83 179.19 3jww h LEU 414 N -0.26 -0.26 0.00 1.46 5.85 -1.15 -0.51 115.31 120.45 3jww h LEU 414 Ca -0.02 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3jww h LEU 414 Cb 0.21 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3jww h LEU 414 CO 0.02 -0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.04 3jww n ALA 415 N -2.58 2.27 -3.80 1.25 0.00 -0.11 -4.88 120.51 112.65 3jww n ALA 415 Ca 0.01 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.08 3jww n ALA 415 Cb 0.19 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.37 3jww n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3jww n LYS 416 N -0.94 -5.41 -4.56 0.00 5.02 -0.20 -5.00 118.16 107.07 3jww n LYS 416 Ca 0.14 0.62 -0.34 0.00 -2.02 0.00 0.00 58.31 56.71 3jww n LYS 416 Cb 0.06 -5.38 -0.11 0.00 -0.02 0.00 0.00 35.03 29.59 3jww n LYS 416 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jww s VAL 417 N -3.47 3.85 0.29 -0.18 1.01 -0.17 -4.39 120.40 117.34 3jww s VAL 417 Ca 0.36 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 3jww s VAL 417 Cb -0.18 -2.59 -0.11 0.00 0.00 0.00 0.00 36.38 33.51 3jww s VAL 417 CO 0.82 0.59 1.50 -0.89 0.00 0.00 0.00 175.10 177.12 3jww s THR 418 N -0.83 2.35 0.03 3.92 2.01 -0.56 -4.36 115.64 118.19 3jww s THR 418 Ca 0.13 0.31 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 3jww s THR 418 Cb -0.11 -3.20 0.06 0.00 0.01 0.00 0.00 72.50 69.26 3jww s THR 418 CO 0.02 0.05 0.56 -0.51 -0.69 0.00 0.00 174.62 174.05 3jww s ILE 419 N -0.22 0.02 -0.10 1.82 2.07 -1.26 -4.55 121.20 118.99 3jww s ILE 419 Ca 0.59 -0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.70 3jww s ILE 419 Cb -0.45 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.19 3jww s ILE 419 CO 0.48 -0.09 -0.17 0.54 -1.91 0.00 0.00 174.94 173.80 3jww s VAL 420 N -2.16 1.55 0.82 4.00 0.11 -0.49 -5.01 120.40 119.22 3jww s VAL 420 Ca -0.07 -0.70 -0.11 0.00 -2.93 0.00 0.00 61.98 58.18 3jww s VAL 420 Cb -0.01 -1.39 0.08 0.00 -1.53 0.00 0.00 36.38 33.54 3jww s VAL 420 CO 0.01 0.45 1.10 1.51 -3.33 0.00 0.00 175.10 174.83 3jww s ASP 421 N 0.73 4.08 0.50 3.54 1.47 -1.26 -0.87 116.67 124.86 3jww s ASP 421 Ca -0.12 1.82 0.26 0.00 1.18 0.00 0.00 52.55 55.69 3jww s ASP 421 Cb -0.16 -2.47 1.35 0.00 -0.34 0.00 0.00 42.92 41.30 3jww s ASP 421 CO 0.02 -2.31 2.03 1.12 0.68 0.00 0.00 175.17 176.72 3jww h HIS 422 N -1.32 0.00 0.57 2.11 -0.00 -1.97 -1.37 115.15 113.17 3jww h HIS 422 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.90 3jww h HIS 422 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.66 3jww h HIS 422 CO 0.54 0.14 -0.27 0.45 -0.00 0.00 0.00 177.93 178.79 3jww h HIS 423 N 0.00 -0.70 -0.76 6.12 3.86 -1.98 -3.02 115.15 118.67 3jww h HIS 423 Ca -0.00 -0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.34 3jww h HIS 423 Cb 0.40 0.23 -0.10 0.00 1.06 0.00 0.00 27.41 29.00 3jww h HIS 423 CO 0.00 -0.44 0.28 0.00 0.86 0.00 0.00 177.93 178.63 3jww h ALA 424 N -1.39 1.06 0.25 2.45 0.00 -1.94 -1.19 119.26 118.49 3jww h ALA 424 Ca -0.08 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3jww h ALA 424 Cb 0.58 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3jww h ALA 424 CO 0.13 -0.25 -0.14 0.00 0.00 0.00 0.00 179.25 178.98 3jww h ALA 425 N 1.57 -0.37 -0.31 0.00 0.00 -1.34 -1.80 119.26 117.02 3jww h ALA 425 Ca 0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3jww h ALA 425 Cb 0.67 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3jww h ALA 425 CO -0.44 -0.71 0.06 1.79 0.00 0.00 0.00 179.25 179.95 3jww h THR 426 N -0.38 1.23 -0.80 0.00 1.35 -1.30 -1.61 112.91 111.39 3jww h THR 426 Ca -0.03 -0.78 0.19 0.00 -0.55 0.00 0.00 66.41 65.24 3jww h THR 426 Cb 0.30 1.15 -0.12 0.00 -1.73 0.00 0.00 68.15 67.75 3jww h THR 426 CO 0.04 0.26 0.22 0.58 -0.25 0.00 0.00 175.52 176.36 3jww h VAL 427 N 0.33 0.45 0.00 6.82 2.07 -1.15 0.33 116.25 125.10 3jww h VAL 427 Ca 0.09 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3jww h VAL 427 Cb 0.32 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3jww h VAL 427 CO 0.00 0.05 0.00 0.77 0.02 0.00 0.00 177.57 178.41 3jww h SER 428 N 0.27 0.00 1.12 0.57 4.64 -0.56 -1.64 113.55 117.95 3jww h SER 428 Ca 0.47 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.68 3jww h SER 428 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 3jww h SER 428 CO -0.56 0.00 -0.53 0.15 -0.87 0.00 0.00 176.83 175.02 3jww h PHE 429 N 0.00 0.00 0.14 4.77 3.57 -0.06 -1.10 116.94 124.27 3jww h PHE 429 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3jww h PHE 429 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3jww h PHE 429 CO 0.00 0.53 -0.07 0.52 -2.23 0.00 0.00 178.31 177.06 3jww h MET 430 N 0.00 -0.19 -0.66 1.11 2.86 -0.35 0.15 114.93 117.85 3jww h MET 430 Ca -0.01 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.79 3jww h MET 430 Cb 1.24 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 32.82 3jww h MET 430 CO 0.07 0.08 -0.04 -0.22 1.06 0.00 0.00 176.91 177.86 3jww h LYS 431 N -0.44 0.08 -0.72 1.72 1.63 -1.39 -1.50 116.57 115.95 3jww h LYS 431 Ca -0.02 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3jww h LYS 431 Cb 0.35 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 3jww h LYS 431 CO 0.03 0.05 0.47 1.25 -3.45 0.00 0.00 179.45 177.80 3jww h HIS 432 N 0.08 0.92 -0.16 1.91 2.76 -0.46 -1.71 115.15 118.49 3jww h HIS 432 Ca 0.34 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.56 3jww h HIS 432 Cb 0.56 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 3jww h HIS 432 CO -0.42 0.59 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.70 3jww h LEU 433 N 0.98 -0.12 0.00 0.26 3.38 0.28 -0.93 115.31 119.16 3jww h LEU 433 Ca 0.26 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3jww h LEU 433 Cb -0.09 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3jww h LEU 433 CO -0.05 -0.04 -0.01 -2.24 0.09 0.00 0.00 178.44 176.19 3jww h ASP 434 N 0.02 0.00 0.14 -0.43 3.04 -1.03 -0.96 116.42 117.19 3jww h ASP 434 Ca 0.08 -0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.86 3jww h ASP 434 Cb 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 3jww h ASP 434 CO -0.15 0.00 -0.06 0.78 -2.04 0.00 0.00 179.24 177.76 3jww h ASN 435 N 0.00 -0.15 0.31 4.15 2.35 -1.18 -2.96 115.58 118.10 3jww h ASN 435 Ca 0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3jww h ASN 435 Cb 0.90 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 3jww h ASN 435 CO 0.00 -0.02 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.38 3jww h GLU 436 N -0.28 0.00 -0.23 0.81 4.39 -1.08 -1.47 114.58 116.73 3jww h GLU 436 Ca -0.02 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3jww h GLU 436 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3jww h GLU 436 CO 0.03 0.04 -0.08 0.37 -1.16 0.00 0.00 179.01 178.22 3jww h GLN 437 N 0.00 0.46 -0.39 2.33 5.75 -1.08 -0.72 115.11 121.45 3jww h GLN 437 Ca -0.00 -0.19 -0.12 0.00 -0.15 0.00 0.00 58.65 58.20 3jww h GLN 437 Cb 0.21 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 3jww h GLN 437 CO 0.01 0.71 -0.22 0.87 -2.65 0.00 0.00 178.83 177.54 3jww h LYS 438 N 0.19 0.78 0.15 1.69 1.57 -1.15 -1.34 116.57 118.46 3jww h LYS 438 Ca 0.06 -0.32 -0.33 0.00 -1.87 0.00 0.00 60.65 58.19 3jww h LYS 438 Cb 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3jww h LYS 438 CO 0.03 0.93 -1.64 0.00 -0.57 0.00 0.00 179.45 178.20 3jww h ALA 439 N 1.06 0.22 0.00 3.86 0.00 -1.24 -3.41 119.26 119.76 3jww h ALA 439 Ca 0.09 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.87 3jww h ALA 439 Cb 0.74 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3jww h ALA 439 CO 0.06 1.09 0.00 0.54 0.00 0.00 0.00 179.25 180.94 3jww n ARG 440 N -3.51 1.45 -3.05 0.00 1.74 -0.37 -5.05 116.66 107.86 3jww n ARG 440 Ca -0.20 -0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 56.65 3jww n ARG 440 Cb 1.06 -0.45 0.04 0.00 -1.02 0.00 0.00 32.46 32.09 3jww n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jww n GLY 441 N 0.24 0.12 0.00 -0.13 0.00 -0.50 -3.98 105.19 100.93 3jww n GLY 441 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3jww n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jww n GLY 442 N -1.29 2.89 3.10 -0.02 0.00 -1.19 -0.24 105.19 108.43 3jww n GLY 442 Ca -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 3jww n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jww s PRO 444 N 2.68 4.20 -0.13 0.00 0.04 -1.26 -4.54 135.00 135.99 3jww s PRO 444 Ca 0.12 2.37 -0.09 0.00 0.04 0.00 0.00 61.00 63.44 3jww s PRO 444 Cb -0.15 -3.40 0.04 0.00 0.04 0.00 0.00 34.50 31.04 3jww s PRO 444 CO -0.17 -0.69 0.32 0.00 0.04 0.00 0.00 177.00 176.50 3jww s ALA 445 N 1.98 -0.79 -0.49 8.56 0.00 -0.39 -4.28 121.76 126.36 3jww s ALA 445 Ca 0.73 1.09 -0.13 0.00 0.00 0.00 0.00 51.96 53.64 3jww s ALA 445 Cb -0.42 -0.66 0.10 0.00 0.00 0.00 0.00 23.12 22.14 3jww s ALA 445 CO 0.32 -0.19 0.40 0.34 0.00 0.00 0.00 175.76 176.63 3jww s ASP 446 N 0.78 6.00 0.18 0.00 -1.08 -0.69 -3.61 116.67 118.25 3jww s ASP 446 Ca -0.05 -1.61 -0.16 0.00 -0.52 0.00 0.00 52.55 50.20 3jww s ASP 446 Cb -0.06 -2.13 0.14 0.00 -1.46 0.00 0.00 42.92 39.41 3jww s ASP 446 CO -0.05 -0.71 1.65 -0.25 0.52 0.00 0.00 175.17 176.33 3jww h TRP 447 N 8.69 -0.28 -0.24 -5.34 7.01 -1.91 0.14 115.95 124.02 3jww h TRP 447 Ca -0.27 0.04 0.07 0.00 2.11 0.00 0.00 58.89 60.85 3jww h TRP 447 Cb 1.10 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.35 3jww h TRP 447 CO 0.66 -0.22 0.20 0.00 -2.79 0.00 0.00 178.44 176.29 3jww h ALA 448 N 1.45 2.08 0.00 2.65 0.00 -1.93 0.24 119.26 123.75 3jww h ALA 448 Ca 0.23 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.78 3jww h ALA 448 Cb 0.36 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3jww h ALA 448 CO -0.50 -0.32 -2.19 0.91 0.00 0.00 0.00 179.25 177.15 3jww n TRP 449 N -4.21 0.29 -0.04 0.00 7.02 -0.75 -4.39 117.44 115.35 3jww n TRP 449 Ca 0.03 0.10 -0.15 0.00 -1.02 0.00 0.00 57.50 56.46 3jww n TRP 449 Cb 0.34 -1.05 -0.07 0.00 -2.42 0.00 0.00 31.31 28.11 3jww n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jww h ILE 450 N 0.00 1.35 -3.22 -0.99 1.08 -0.04 -3.44 117.51 112.26 3jww h ILE 450 Ca -0.47 -1.69 -0.53 0.00 -0.39 0.00 0.00 64.86 61.78 3jww h ILE 450 Cb 2.18 2.04 0.03 0.00 -3.07 0.00 0.00 36.82 37.99 3jww h ILE 450 CO 0.04 0.51 0.68 -0.69 -0.69 0.00 0.00 178.15 178.01 3jww s VAL 451 N -3.89 3.24 0.68 1.67 1.01 -0.02 -4.98 120.40 118.12 3jww s VAL 451 Ca -0.13 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 62.68 3jww s VAL 451 Cb 0.06 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.84 3jww s VAL 451 CO 0.82 0.11 1.10 -2.84 0.00 0.00 0.00 175.10 174.29 3jww s PRO 452 N 0.40 2.74 0.39 2.72 0.02 -1.26 -4.91 135.00 135.11 3jww s PRO 452 Ca 0.60 1.29 0.27 0.00 0.02 0.00 0.00 61.00 63.18 3jww s PRO 452 Cb -0.37 -1.95 0.84 0.00 0.02 0.00 0.00 34.50 33.05 3jww s PRO 452 CO 0.35 -1.28 1.77 -1.00 -0.33 0.00 0.00 177.00 176.51 3jww h PRO 453 N -0.24 0.00 -6.68 5.54 0.13 -1.94 -3.37 132.00 125.45 3jww h PRO 453 Ca -0.46 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 3jww h PRO 453 Cb 1.24 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 3jww h PRO 453 CO 0.54 0.00 -0.79 0.96 -0.23 0.00 0.00 178.00 178.48 3jww s ILE 454 N -3.34 2.96 -1.00 -3.56 -4.36 -1.26 -4.88 121.20 105.76 3jww s ILE 454 Ca 0.06 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 3jww s ILE 454 Cb 0.08 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.43 3jww s ILE 454 CO 0.57 0.09 0.00 -1.20 0.24 0.00 0.00 174.94 174.64 3jww n SER 455 N 0.74 -3.82 -0.16 4.36 7.64 -1.26 -4.92 113.62 116.19 3jww n SER 455 Ca -0.15 0.10 -0.06 0.00 1.01 0.00 0.00 58.87 59.77 3jww n SER 455 Cb 0.53 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.98 3jww n SER 455 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jww h GLY 456 N 0.00 -0.08 1.69 0.23 0.00 -1.90 0.91 103.07 103.92 3jww h GLY 456 Ca -0.24 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3jww h GLY 456 CO 0.31 -0.21 0.00 -1.14 0.00 0.00 0.00 176.54 175.50 3jww n SER 457 N -5.42 0.00 0.02 0.19 3.41 -1.26 -2.39 113.62 108.17 3jww n SER 457 Ca 0.03 0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.90 3jww n SER 457 Cb 0.34 -0.35 0.50 0.00 -0.26 0.00 0.00 64.21 64.45 3jww n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jww n LEU 458 N -1.35 0.26 -4.86 1.04 4.32 0.31 -4.86 117.00 111.86 3jww n LEU 458 Ca 0.09 0.43 -0.29 0.00 -0.02 0.00 0.00 56.01 56.22 3jww n LEU 458 Cb 0.20 -0.41 -0.05 0.00 -1.62 0.00 0.00 43.42 41.54 3jww n LEU 458 CO 0.18 -0.02 -0.18 0.42 -1.22 0.00 0.00 177.39 176.57 3jww s THR 459 N -3.03 4.98 -0.68 -5.08 -4.23 -1.00 -5.04 115.64 101.56 3jww s THR 459 Ca 0.13 -0.69 0.25 0.00 -1.18 0.00 0.00 61.69 60.19 3jww s THR 459 Cb 0.17 -3.47 0.26 0.00 1.34 0.00 0.00 72.50 70.80 3jww s THR 459 CO 0.58 0.03 1.75 -0.81 -0.54 0.00 0.00 174.62 175.63 3jww n PRO 460 N 0.01 0.21 0.22 3.99 -0.04 -1.26 -3.18 135.00 134.94 3jww n PRO 460 Ca -0.07 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 3jww n PRO 460 Cb 0.53 -1.79 0.47 0.00 -0.04 0.00 0.00 33.50 32.67 3jww n PRO 460 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3jww h VAL 461 N 0.00 0.66 -0.88 0.52 -1.51 -1.87 -3.00 116.25 110.17 3jww h VAL 461 Ca 0.00 -1.12 0.06 0.00 -1.23 0.00 0.00 66.70 64.41 3jww h VAL 461 Cb 0.57 1.73 -0.06 0.00 -2.13 0.00 0.00 31.29 31.40 3jww h VAL 461 CO 0.00 0.25 0.58 0.15 -1.23 0.00 0.00 177.57 177.31 3jww h PHE 462 N 0.00 1.01 -0.14 5.19 3.04 -1.73 -1.54 116.94 122.77 3jww h PHE 462 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3jww h PHE 462 Cb 0.71 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.89 3jww h PHE 462 CO 0.00 0.53 0.00 0.72 -2.02 0.00 0.00 178.31 177.54 3jww n HIS 463 N -4.49 0.17 -3.64 0.41 -0.00 -1.13 -4.83 115.22 101.71 3jww n HIS 463 Ca 0.13 -0.09 -0.37 0.00 -0.00 0.00 0.00 57.72 57.39 3jww n HIS 463 Cb 0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.08 3jww n HIS 463 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3jww s GLN 464 N -1.83 3.91 0.65 -0.41 2.00 -0.58 -0.60 119.66 122.80 3jww s GLN 464 Ca 0.33 -0.34 -0.15 0.00 -2.00 0.00 0.00 55.36 53.20 3jww s GLN 464 Cb 0.18 -3.57 -0.00 0.00 0.80 0.00 0.00 33.01 30.42 3jww s GLN 464 CO 0.28 -0.13 1.11 -1.21 -0.50 0.00 0.00 175.29 174.83 3jww s GLU 465 N 1.59 2.82 -0.04 1.67 2.02 0.03 -4.99 118.70 121.80 3jww s GLU 465 Ca 0.07 1.41 -0.08 0.00 0.02 0.00 0.00 54.97 56.39 3jww s GLU 465 Cb -0.15 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.14 3jww s GLU 465 CO 0.08 -1.23 0.19 -1.64 0.02 0.00 0.00 175.26 172.68 3jww s MET 466 N -4.05 0.38 -0.18 1.61 -1.94 -1.26 -4.68 119.30 109.19 3jww s MET 466 Ca 0.67 -0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 54.58 3jww s MET 466 Cb -0.21 0.17 -0.01 0.00 2.01 0.00 0.00 34.83 36.79 3jww s MET 466 CO 0.41 -0.08 -0.08 0.08 -0.01 0.00 0.00 175.02 175.33 3jww s VAL 467 N -0.65 3.21 -0.17 -6.03 1.01 -1.26 -4.93 120.40 111.58 3jww s VAL 467 Ca -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3jww s VAL 467 Cb -0.04 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3jww s VAL 467 CO 0.01 0.47 -0.07 0.21 0.00 0.00 0.00 175.10 175.72 3jww s ASN 468 N 0.97 4.34 0.16 3.32 3.04 -1.24 -1.26 114.94 124.28 3jww s ASN 468 Ca -0.01 -0.30 -0.15 0.00 0.04 0.00 0.00 52.86 52.44 3jww s ASN 468 Cb -0.15 -1.71 0.02 0.00 -1.54 0.00 0.00 41.25 37.88 3jww s ASN 468 CO -0.00 0.10 0.43 -0.72 -3.04 0.00 0.00 177.10 173.86 3jww s TYR 469 N 0.77 -0.05 -0.29 0.43 1.13 -1.26 -4.95 117.35 113.12 3jww s TYR 469 Ca -0.03 -0.29 -0.15 0.00 -1.41 0.00 0.00 57.07 55.19 3jww s TYR 469 Cb -0.15 0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.93 3jww s TYR 469 CO 0.02 -0.79 0.36 0.42 -2.51 0.00 0.00 175.55 173.04 3jww s ILE 470 N -3.86 5.18 -0.12 -3.49 1.01 -1.26 -4.83 121.20 113.82 3jww s ILE 470 Ca 0.08 0.37 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 3jww s ILE 470 Cb 0.01 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3jww s ILE 470 CO -0.06 0.08 -0.00 -0.76 0.00 0.00 0.00 174.94 174.20 3jww s LEU 471 N 2.04 3.52 0.06 2.97 1.43 -1.26 -4.17 118.68 123.27 3jww s LEU 471 Ca 0.14 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 3jww s LEU 471 Cb -0.16 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 3jww s LEU 471 CO 0.11 0.29 0.45 -0.55 0.23 0.00 0.00 176.35 176.87 3jww s SER 472 N -0.33 6.78 0.51 2.29 0.15 -1.26 -4.09 113.70 117.75 3jww s SER 472 Ca 0.07 0.96 -0.22 0.00 0.70 0.00 0.00 55.95 57.45 3jww s SER 472 Cb -0.12 -2.24 -0.07 0.00 -1.71 0.00 0.00 66.02 61.88 3jww s SER 472 CO 0.02 0.24 1.19 -0.81 1.20 0.00 0.00 173.24 175.08 3jww n PRO 473 N 1.35 1.50 -3.92 5.44 -0.04 -1.26 -5.00 135.00 133.08 3jww n PRO 473 Ca -0.10 0.55 -0.09 0.00 -0.04 0.00 0.00 63.50 63.81 3jww n PRO 473 Cb 0.52 -2.36 -0.09 0.00 -0.04 0.00 0.00 33.50 31.53 3jww n PRO 473 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jww s ALA 474 N -1.32 -0.09 -0.30 0.55 0.00 -0.81 -3.92 121.76 115.86 3jww s ALA 474 Ca 0.69 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 3jww s ALA 474 Cb -0.46 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3jww s ALA 474 CO 0.52 -0.32 0.38 -0.06 0.00 0.00 0.00 175.76 176.28 3jww s PHE 475 N -2.55 3.23 0.38 0.00 0.08 -1.26 -0.78 117.98 117.06 3jww s PHE 475 Ca -0.05 0.24 0.05 0.00 0.12 0.00 0.00 56.93 57.29 3jww s PHE 475 Cb -0.01 -2.64 -0.00 0.00 -0.57 0.00 0.00 43.02 39.80 3jww s PHE 475 CO -0.04 -0.33 0.54 1.03 -0.10 0.00 0.00 175.22 176.32 3jww s ARG 476 N 2.08 3.04 0.46 0.44 0.52 -0.02 -4.93 118.95 120.54 3jww s ARG 476 Ca 0.14 -0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 3jww s ARG 476 Cb -0.16 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 3jww s ARG 476 CO 0.11 -0.08 0.71 0.71 0.02 0.00 0.00 175.30 176.76 3jww s TYR 477 N -2.30 3.37 -0.03 -0.53 2.02 -1.26 -1.10 117.35 117.53 3jww s TYR 477 Ca 0.48 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.50 3jww s TYR 477 Cb -0.10 -2.28 0.02 0.00 -0.40 0.00 0.00 41.96 39.21 3jww s TYR 477 CO 0.33 -0.30 0.29 1.14 -1.57 0.00 0.00 175.55 175.44 3jww s GLN 478 N -4.61 0.61 0.26 -0.62 -2.07 -1.26 -4.77 119.66 107.19 3jww s GLN 478 Ca 0.47 -0.13 -0.31 0.00 -1.82 0.00 0.00 55.36 53.58 3jww s GLN 478 Cb -0.10 0.27 -0.13 0.00 -1.09 0.00 0.00 33.01 31.96 3jww s GLN 478 CO 0.40 -0.16 1.45 -2.30 -1.32 0.00 0.00 175.29 173.37 3jww n PRO 479 N 1.52 2.22 -1.52 9.60 -0.02 -1.26 -4.93 135.00 140.61 3jww n PRO 479 Ca -0.21 0.79 -0.47 0.00 -2.02 0.00 0.00 63.50 61.59 3jww n PRO 479 Cb 0.56 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3jww n PRO 479 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jww n ASP 480 N 2.06 0.46 0.27 2.55 8.00 -1.26 -4.93 116.55 123.70 3jww n ASP 480 Ca 0.10 1.16 0.15 0.00 0.71 0.00 0.00 54.79 56.91 3jww n ASP 480 Cb 0.33 -1.15 0.76 0.00 -0.02 0.00 0.00 41.12 41.04 3jww n ASP 480 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3jww h PRO 481 N 2.01 0.00 -0.02 -0.24 0.11 -1.94 -3.55 132.00 128.38 3jww h PRO 481 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3jww h PRO 481 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3jww h PRO 481 CO 0.62 0.08 0.00 -2.67 -0.21 0.00 0.00 178.00 175.82