#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i3i s PRO 79 N 0.00 3.45 0.21 1.61 0.04 -1.26 -4.95 135.00 134.09 2i3i s PRO 79 Ca 0.00 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 2i3i s PRO 79 Cb 0.00 -2.10 0.15 0.00 0.04 0.00 0.00 34.50 32.60 2i3i s PRO 79 CO 0.00 -0.78 1.72 0.00 0.04 0.00 0.00 177.00 177.98 2i3i h ALA 80 N 1.40 0.97 -2.66 8.56 0.00 -0.80 -3.36 119.26 123.37 2i3i h ALA 80 Ca -0.50 -0.26 -0.60 0.00 0.00 0.00 0.00 54.91 53.55 2i3i h ALA 80 Cb 1.26 -0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.39 2i3i h ALA 80 CO 0.58 0.65 -0.74 0.34 0.00 0.00 0.00 179.25 180.08 2i3i n PHE 81 N -4.22 1.72 -0.17 0.00 -0.00 0.09 -4.99 117.46 109.88 2i3i n PHE 81 Ca 0.05 -3.92 0.16 0.00 -0.00 0.00 0.00 57.45 53.73 2i3i n PHE 81 Cb 0.27 -0.32 0.51 0.00 -0.00 0.00 0.00 39.48 39.94 2i3i n PHE 81 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2i3i h PRO 82 N 5.20 0.40 0.00 -7.13 0.11 -1.79 -2.24 132.00 126.54 2i3i h PRO 82 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2i3i h PRO 82 Cb 0.80 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2i3i h PRO 82 CO 0.60 0.27 0.00 0.78 -0.21 0.00 0.00 178.00 179.44 2i3i h GLY 83 N 0.41 0.00 -2.76 -0.55 0.00 -1.94 -1.07 103.07 97.16 2i3i h GLY 83 Ca 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 2i3i h GLY 83 CO -0.12 0.00 0.05 1.03 0.00 0.00 0.00 176.54 177.50 2i3i n MET 84 N -2.61 3.78 0.26 4.80 2.81 -0.84 -4.59 117.12 120.73 2i3i n MET 84 Ca -0.01 -3.04 0.14 0.00 -1.81 0.00 0.00 57.70 52.99 2i3i n MET 84 Cb 0.12 -2.08 0.64 0.00 -0.71 0.00 0.00 33.22 31.19 2i3i n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2i3i h GLY 85 N 2.76 0.00 -4.58 3.03 0.00 -1.31 -3.44 103.07 99.53 2i3i h GLY 85 Ca 0.06 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.84 2i3i h GLY 85 CO 0.44 0.00 0.49 -0.45 0.00 0.00 0.00 176.54 177.02 2i3i s SER 86 N -5.91 7.28 0.17 0.19 0.15 -1.26 -4.95 113.70 109.37 2i3i s SER 86 Ca 0.00 1.63 -0.12 0.00 0.70 0.00 0.00 55.95 58.16 2i3i s SER 86 Cb 0.10 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.93 2i3i s SER 86 CO 0.57 -0.38 1.74 -0.08 1.20 0.00 0.00 173.24 176.30 2i3i h GLU 87 N 6.98 0.88 -0.42 5.44 4.81 -1.90 -2.14 114.58 128.24 2i3i h GLU 87 Ca -0.36 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 58.80 2i3i h GLU 87 Cb 1.18 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.34 2i3i h GLU 87 CO 0.81 0.74 -0.09 1.49 -0.73 0.00 0.00 179.01 181.23 2i3i h GLU 88 N 0.83 0.01 -0.51 1.92 4.81 -1.95 -0.01 114.58 119.68 2i3i h GLU 88 Ca 0.20 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2i3i h GLU 88 Cb 0.17 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2i3i h GLU 88 CO -0.02 0.01 0.12 -0.07 -0.73 0.00 0.00 179.01 178.32 2i3i h LEU 89 N 0.02 0.77 -0.58 1.64 3.38 -1.88 -1.53 115.31 117.13 2i3i h LEU 89 Ca 0.20 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2i3i h LEU 89 Cb 0.31 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2i3i h LEU 89 CO -0.42 0.81 0.32 0.03 0.09 0.00 0.00 178.44 179.28 2i3i h ARG 90 N 0.70 0.61 -0.77 1.13 3.08 -0.77 -2.54 114.38 115.82 2i3i h ARG 90 Ca 0.16 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2i3i h ARG 90 Cb 0.34 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2i3i h ARG 90 CO 0.00 0.40 0.28 1.25 -1.07 0.00 0.00 179.97 180.84 2i3i h LEU 91 N 0.62 1.08 -1.87 3.04 5.85 -0.77 -2.42 115.31 120.84 2i3i h LEU 91 Ca 0.25 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2i3i h LEU 91 Cb 0.11 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2i3i h LEU 91 CO -0.14 0.97 0.25 0.00 -0.34 0.00 0.00 178.44 179.19 2i3i h ALA 92 N 1.17 2.15 0.00 1.25 0.00 -0.87 -2.33 119.26 120.63 2i3i h ALA 92 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2i3i h ALA 92 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2i3i h ALA 92 CO -0.02 -0.23 0.00 0.66 0.00 0.00 0.00 179.25 179.66 2i3i h SER 93 N 0.15 0.00 -0.22 0.00 4.64 -1.14 -3.00 113.55 113.98 2i3i h SER 93 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2i3i h SER 93 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2i3i h SER 93 CO -0.02 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.43 2i3i n PHE 94 N -2.99 0.61 0.15 4.77 3.72 -0.88 -4.52 117.46 118.32 2i3i n PHE 94 Ca -0.00 -0.23 0.14 0.00 -0.05 0.00 0.00 57.45 57.31 2i3i n PHE 94 Cb 0.23 -0.16 0.69 0.00 -0.94 0.00 0.00 39.48 39.29 2i3i n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 2i3i h TYR 95 N 1.45 0.00 -0.36 1.38 -0.00 -1.73 -0.82 116.97 116.90 2i3i h TYR 95 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.47 2i3i h TYR 95 Cb 0.80 0.00 -0.20 0.00 0.00 0.00 0.00 36.73 37.33 2i3i h TYR 95 CO 0.32 0.00 -0.62 -3.47 -0.00 0.00 0.00 178.16 174.38 2i3i n ASP 96 N -4.37 3.23 -4.71 0.10 2.03 -1.26 -5.05 116.55 106.53 2i3i n ASP 96 Ca 0.03 -3.83 -0.42 0.00 0.52 0.00 0.00 54.79 51.08 2i3i n ASP 96 Cb 0.32 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 2i3i n ASP 96 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2i3i s TRP 97 N -3.41 2.57 -0.92 -0.67 -0.11 -0.31 -4.92 118.94 111.17 2i3i s TRP 97 Ca 0.44 0.20 0.24 0.00 1.22 0.00 0.00 56.10 58.21 2i3i s TRP 97 Cb 0.39 -4.14 0.98 0.00 -1.50 0.00 0.00 33.47 29.20 2i3i s TRP 97 CO -0.02 -4.48 1.75 -0.35 -4.62 0.00 0.00 176.95 169.24 2i3i n PRO 98 N 4.77 0.05 -2.32 5.86 -0.04 -1.26 -4.17 135.00 137.88 2i3i n PRO 98 Ca 0.17 0.14 -0.19 0.00 -0.04 0.00 0.00 63.50 63.57 2i3i n PRO 98 Cb 0.37 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.28 2i3i n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2i3i n LEU 99 N -1.66 4.02 -0.17 1.53 4.77 -1.26 -4.91 117.00 119.32 2i3i n LEU 99 Ca 0.05 -4.48 -0.02 0.00 -0.03 0.00 0.00 56.01 51.53 2i3i n LEU 99 Cb 0.29 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 2i3i n LEU 99 CO 0.23 1.91 0.88 0.74 -1.33 0.00 0.00 177.39 179.82 2i3i h THR 100 N 2.93 0.65 -0.23 -5.08 2.02 -1.79 -0.01 112.91 111.39 2i3i h THR 100 Ca 0.23 -0.06 -0.20 0.00 0.77 0.00 0.00 66.41 67.15 2i3i h THR 100 Cb 1.32 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2i3i h THR 100 CO 0.66 0.03 -0.64 0.00 0.37 0.00 0.00 175.52 175.95 2i3i h ALA 101 N 1.43 0.42 -0.10 6.16 0.00 -1.96 -3.22 119.26 122.00 2i3i h ALA 101 Ca 0.26 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 2i3i h ALA 101 Cb 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2i3i h ALA 101 CO -0.39 0.68 -0.56 0.93 0.00 0.00 0.00 179.25 179.92 2i3i h GLU 102 N 0.61 0.55 -2.67 0.00 3.07 -1.79 -3.41 114.58 110.94 2i3i h GLU 102 Ca -0.01 -0.46 -0.51 0.00 -0.50 0.00 0.00 59.36 57.87 2i3i h GLU 102 Cb 1.25 0.10 -0.39 0.00 -0.84 0.00 0.00 28.75 28.87 2i3i h GLU 102 CO 0.14 1.09 -0.77 0.08 -1.40 0.00 0.00 179.01 178.14 2i3i s VAL 103 N -3.64 -0.08 0.19 3.13 1.01 -0.08 -1.35 120.40 119.59 2i3i s VAL 103 Ca -0.12 -0.89 -0.33 0.00 0.00 0.00 0.00 61.98 60.63 2i3i s VAL 103 Cb 0.06 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.31 2i3i s VAL 103 CO 0.84 -0.74 1.64 -2.65 0.00 0.00 0.00 175.10 174.18 2i3i n PRO 104 N 5.03 2.46 -0.18 2.72 -0.02 -1.22 -4.50 135.00 139.29 2i3i n PRO 104 Ca -0.02 0.89 0.15 0.00 -2.02 0.00 0.00 63.50 62.50 2i3i n PRO 104 Cb 0.42 -2.69 0.49 0.00 -0.02 0.00 0.00 33.50 31.70 2i3i n PRO 104 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2i3i h PRO 105 N 6.17 0.43 -0.80 0.52 0.11 -1.89 -1.79 132.00 134.75 2i3i h PRO 105 Ca -0.44 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.69 2i3i h PRO 105 Cb 1.23 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2i3i h PRO 105 CO 0.91 0.29 0.50 0.93 -0.21 0.00 0.00 178.00 180.41 2i3i h GLU 106 N 0.44 0.91 -0.20 1.05 3.07 -1.95 0.11 114.58 118.02 2i3i h GLU 106 Ca 0.38 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 59.01 2i3i h GLU 106 Cb 0.86 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2i3i h GLU 106 CO -0.13 0.60 -0.57 -0.07 -1.40 0.00 0.00 179.01 177.44 2i3i h LEU 107 N 0.94 0.84 -0.23 1.33 3.38 -1.76 -1.44 115.31 118.38 2i3i h LEU 107 Ca 0.34 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2i3i h LEU 107 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2i3i h LEU 107 CO -0.15 1.28 0.09 -0.07 0.09 0.00 0.00 178.44 179.68 2i3i h LEU 108 N 0.45 0.31 -0.64 1.67 3.38 -0.96 -1.61 115.31 117.91 2i3i h LEU 108 Ca -0.02 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2i3i h LEU 108 Cb 1.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2i3i h LEU 108 CO 0.12 0.39 0.03 0.00 0.09 0.00 0.00 178.44 179.08 2i3i h ALA 109 N 0.93 0.86 -0.96 1.53 0.00 -0.83 -1.63 119.26 119.15 2i3i h ALA 109 Ca 0.08 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2i3i h ALA 109 Cb 0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 2i3i h ALA 109 CO -0.01 0.67 0.62 0.00 0.00 0.00 0.00 179.25 180.54 2i3i h ALA 110 N 1.02 1.50 -0.11 0.00 0.00 -1.10 -1.60 119.26 118.97 2i3i h ALA 110 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2i3i h ALA 110 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2i3i h ALA 110 CO 0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2i3i n ALA 111 N -2.38 2.57 -0.27 0.00 0.00 -0.62 -4.86 120.51 114.96 2i3i n ALA 111 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2i3i n ALA 111 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2i3i n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i3i n GLY 112 N 0.48 0.75 3.84 0.00 0.00 -0.60 -4.90 105.19 104.75 2i3i n GLY 112 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2i3i n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i3i s PHE 113 N -2.62 3.64 0.12 1.61 0.08 -0.68 -1.52 117.98 118.61 2i3i s PHE 113 Ca 0.00 1.03 0.08 0.00 0.12 0.00 0.00 56.93 58.16 2i3i s PHE 113 Cb 0.00 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2i3i s PHE 113 CO 0.00 0.49 -0.20 -0.59 -0.10 0.00 0.00 175.22 174.82 2i3i s PHE 114 N -1.37 1.77 0.06 0.36 -0.12 -0.19 -3.65 117.98 114.84 2i3i s PHE 114 Ca 0.34 -0.44 -0.30 0.00 -0.05 0.00 0.00 56.93 56.48 2i3i s PHE 114 Cb -0.16 -0.94 -0.05 0.00 -0.63 0.00 0.00 43.02 41.25 2i3i s PHE 114 CO 0.18 0.24 1.11 -1.58 -0.05 0.00 0.00 175.22 175.12 2i3i s HIS 115 N -1.50 3.54 0.09 3.49 5.65 -1.26 -1.77 115.29 123.53 2i3i s HIS 115 Ca 0.09 1.49 0.22 0.00 0.25 0.00 0.00 55.06 57.11 2i3i s HIS 115 Cb -0.08 -3.29 0.79 0.00 -1.18 0.00 0.00 32.58 28.81 2i3i s HIS 115 CO 0.05 -0.74 1.77 1.79 -0.65 0.00 0.00 174.74 176.96 2i3i h THR 116 N 4.45 0.60 0.00 0.89 1.35 -1.78 -3.46 112.91 114.97 2i3i h THR 116 Ca -0.42 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 2i3i h THR 116 Cb 1.22 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 2i3i h THR 116 CO 0.78 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.91 2i3i n GLY 117 N 0.30 1.93 3.60 5.82 0.00 -1.26 -5.07 105.19 110.51 2i3i n GLY 117 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2i3i n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i3i s HIS 118 N -2.47 3.23 0.00 1.61 3.76 -1.26 -4.99 115.29 115.17 2i3i s HIS 118 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 2i3i s HIS 118 Cb 0.00 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.47 2i3i s HIS 118 CO 0.00 -0.03 0.00 1.04 -0.85 0.00 0.00 174.74 174.90 2i3i n GLN 119 N 4.31 0.00 -0.87 1.40 3.00 -1.26 -1.58 117.38 122.38 2i3i n GLN 119 Ca -0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.77 2i3i n GLN 119 Cb 0.52 0.00 0.23 0.00 0.00 0.00 0.00 30.24 30.99 2i3i n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2i3i n ASP 120 N 0.29 3.42 -4.69 1.08 5.75 -1.26 -4.69 116.55 116.45 2i3i n ASP 120 Ca 0.00 -3.51 -0.42 0.00 -0.01 0.00 0.00 54.79 50.85 2i3i n ASP 120 Cb 0.00 -0.68 -0.03 0.00 -1.03 0.00 0.00 41.12 39.38 2i3i n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2i3i s LYS 121 N -3.14 4.37 0.29 0.11 1.02 -0.61 -4.48 119.74 117.30 2i3i s LYS 121 Ca 0.49 1.67 0.08 0.00 0.02 0.00 0.00 55.97 58.22 2i3i s LYS 121 Cb 0.42 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 34.14 2i3i s LYS 121 CO 0.06 -0.41 -0.09 0.14 -0.92 0.00 0.00 175.35 174.14 2i3i s VAL 122 N 2.04 1.88 -0.04 3.17 -7.23 0.29 -2.17 120.40 118.35 2i3i s VAL 122 Ca 0.56 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 2i3i s VAL 122 Cb -0.25 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2i3i s VAL 122 CO 0.23 -0.30 0.12 -0.60 -0.31 0.00 0.00 175.10 174.24 2i3i s ARG 123 N -3.67 0.17 0.05 4.82 3.52 -0.73 -1.11 118.95 121.99 2i3i s ARG 123 Ca 0.30 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.73 2i3i s ARG 123 Cb 0.02 0.08 -0.05 0.00 -1.56 0.00 0.00 34.95 33.45 2i3i s ARG 123 CO 0.13 -0.02 1.09 0.00 -0.81 0.00 0.00 175.30 175.69 2i3i h PHE 125 N 6.62 0.00 0.00 0.00 -0.00 -1.57 0.26 116.94 122.25 2i3i h PHE 125 Ca -0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.47 2i3i h PHE 125 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 2i3i h PHE 125 CO 0.67 0.12 -0.71 0.35 -0.00 0.00 0.00 178.31 178.74 2i3i h PHE 126 N 0.00 0.00 -0.00 6.09 3.04 -1.86 0.32 116.94 124.53 2i3i h PHE 126 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2i3i h PHE 126 Cb 0.24 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.75 2i3i h PHE 126 CO 0.00 0.61 -0.56 0.00 -2.02 0.00 0.00 178.31 176.34 2i3i n TYR 128 N -1.38 0.00 -2.12 0.00 9.36 0.08 -4.94 117.16 118.16 2i3i n TYR 128 Ca 0.06 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.87 2i3i n TYR 128 Cb 0.34 -1.80 -0.02 0.00 -0.63 0.00 0.00 39.34 37.22 2i3i n TYR 128 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 2i3i s GLY 129 N -2.29 2.85 -0.15 2.98 0.00 -1.25 -4.61 107.32 104.84 2i3i s GLY 129 Ca 0.00 1.24 -0.02 0.00 0.00 0.00 0.00 44.72 45.94 2i3i s GLY 129 CO 0.00 1.97 -0.08 -0.32 0.00 0.00 0.00 173.10 174.67 2i3i s GLY 130 N -0.29 1.63 -0.04 0.20 0.00 -1.26 -1.12 107.32 106.45 2i3i s GLY 130 Ca 0.51 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 44.40 2i3i s GLY 130 CO 0.50 -0.09 -0.16 1.08 0.00 0.00 0.00 173.10 174.42 2i3i s LEU 131 N 0.42 1.92 0.00 0.66 1.43 -0.27 -4.98 118.68 117.85 2i3i s LEU 131 Ca -0.07 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2i3i s LEU 131 Cb -0.15 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 2i3i s LEU 131 CO 0.04 0.15 0.13 0.00 0.23 0.00 0.00 176.35 176.90 2i3i n GLN 132 N 3.09 0.38 -3.68 1.70 10.64 -1.26 -0.54 117.38 127.70 2i3i n GLN 132 Ca -0.18 -1.84 -0.21 0.00 -1.83 0.00 0.00 57.00 52.94 2i3i n GLN 132 Cb 0.53 1.35 0.04 0.00 -0.86 0.00 0.00 30.24 31.30 2i3i n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2i3i n SER 133 N -2.13 -1.49 -4.75 2.61 7.64 -1.26 -4.93 113.62 109.31 2i3i n SER 133 Ca 0.02 -0.82 -0.41 0.00 1.01 0.00 0.00 58.87 58.67 2i3i n SER 133 Cb 0.33 -4.10 -0.04 0.00 -1.01 0.00 0.00 64.21 59.39 2i3i n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2i3i s TRP 134 N -3.64 3.49 0.17 1.43 0.52 -1.26 -5.05 118.94 114.60 2i3i s TRP 134 Ca 0.03 1.54 0.04 0.00 0.02 0.00 0.00 56.10 57.73 2i3i s TRP 134 Cb -0.01 -3.37 -0.04 0.00 -1.15 0.00 0.00 33.47 28.91 2i3i s TRP 134 CO 0.81 -0.91 0.23 0.15 0.02 0.00 0.00 176.95 177.24 2i3i s LYS 135 N -0.68 3.19 0.16 4.98 -0.14 -1.26 -5.06 119.74 120.94 2i3i s LYS 135 Ca 0.49 -0.75 -0.32 0.00 -1.36 0.00 0.00 55.97 54.04 2i3i s LYS 135 Cb -0.32 -2.81 -0.11 0.00 -1.68 0.00 0.00 37.83 32.92 2i3i s LYS 135 CO 0.38 0.49 1.70 -0.98 -0.76 0.00 0.00 175.35 176.18 2i3i s ARG 136 N -3.29 4.16 0.00 1.68 1.70 -1.26 -1.66 118.95 120.27 2i3i s ARG 136 Ca 0.33 2.51 0.00 0.00 -0.47 0.00 0.00 55.73 58.10 2i3i s ARG 136 Cb -0.10 -3.27 0.00 0.00 -0.57 0.00 0.00 34.95 31.01 2i3i s ARG 136 CO 0.26 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 2i3i n GLY 137 N 3.98 0.80 3.74 3.88 0.00 -0.46 -5.03 105.19 112.11 2i3i n GLY 137 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2i3i n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i3i n ASP 138 N 0.00 3.46 -4.49 1.61 8.00 -0.66 -4.96 116.55 119.51 2i3i n ASP 138 Ca 0.00 1.20 -0.40 0.00 0.71 0.00 0.00 54.79 56.30 2i3i n ASP 138 Cb 0.00 -1.56 -0.11 0.00 -0.02 0.00 0.00 41.12 39.43 2i3i n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2i3i s ASP 139 N 0.01 5.91 0.23 -2.24 2.15 -1.26 -4.86 116.67 116.61 2i3i s ASP 139 Ca 0.57 -0.52 -0.07 0.00 0.43 0.00 0.00 52.55 52.97 2i3i s ASP 139 Cb -0.52 -2.10 0.40 0.00 -0.30 0.00 0.00 42.92 40.40 2i3i s ASP 139 CO 0.59 -0.25 1.71 -0.65 -0.17 0.00 0.00 175.17 176.39 2i3i h PRO 140 N 8.46 0.31 -0.32 4.34 0.11 -1.93 -1.00 132.00 141.96 2i3i h PRO 140 Ca -0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2i3i h PRO 140 Cb 1.15 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2i3i h PRO 140 CO 0.64 0.20 0.16 -1.49 -0.21 0.00 0.00 178.00 177.30 2i3i h TRP 141 N 0.32 0.47 -0.38 0.65 -0.00 -1.90 0.98 115.95 116.08 2i3i h TRP 141 Ca 0.38 -0.02 0.05 0.00 -0.00 0.00 0.00 58.89 59.30 2i3i h TRP 141 Cb 0.59 -0.14 -0.05 0.00 -0.00 0.00 0.00 29.16 29.56 2i3i h TRP 141 CO -0.23 0.41 0.10 1.15 -0.00 0.00 0.00 178.44 179.87 2i3i h THR 142 N 0.39 0.84 -0.37 1.49 2.02 -1.88 -1.28 112.91 114.11 2i3i h THR 142 Ca 0.11 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 2i3i h THR 142 Cb 0.12 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2i3i h THR 142 CO -0.01 0.04 -0.11 -0.33 0.37 0.00 0.00 175.52 175.48 2i3i h GLU 143 N 0.23 0.65 -0.18 6.66 4.39 -0.89 0.50 114.58 125.95 2i3i h GLU 143 Ca 0.18 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.70 2i3i h GLU 143 Cb 0.19 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2i3i h GLU 143 CO -0.22 0.75 0.06 1.25 -1.16 0.00 0.00 179.01 179.69 2i3i h HIS 144 N 0.60 0.10 -0.42 4.33 2.76 -0.33 -2.29 115.15 119.91 2i3i h HIS 144 Ca 0.11 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 2i3i h HIS 144 Cb 0.54 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 2i3i h HIS 144 CO 0.02 0.05 -0.21 0.00 -1.30 0.00 0.00 177.93 176.49 2i3i h ALA 145 N 1.12 0.84 -0.00 5.26 0.00 -0.95 0.38 119.26 125.91 2i3i h ALA 145 Ca 0.08 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2i3i h ALA 145 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2i3i h ALA 145 CO -0.09 0.64 -0.21 0.87 0.00 0.00 0.00 179.25 180.46 2i3i h LYS 146 N 0.72 -0.32 0.01 0.00 1.57 -0.71 -3.20 116.57 114.63 2i3i h LYS 146 Ca 0.10 0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.57 2i3i h LYS 146 Cb 0.74 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 2i3i h LYS 146 CO 0.06 -0.22 -1.99 0.91 -0.57 0.00 0.00 179.45 177.64 2i3i n TRP 147 N -5.34 0.66 -3.13 -1.35 7.02 -0.88 -4.59 117.44 109.83 2i3i n TRP 147 Ca -0.05 0.22 -0.23 0.00 -1.02 0.00 0.00 57.50 56.43 2i3i n TRP 147 Cb 0.25 -1.12 -0.04 0.00 -2.42 0.00 0.00 31.31 27.98 2i3i n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2i3i n PHE 148 N -3.01 1.70 0.46 -5.99 3.72 0.12 -4.93 117.46 109.53 2i3i n PHE 148 Ca -0.25 -3.88 0.10 0.00 -0.05 0.00 0.00 57.45 53.38 2i3i n PHE 148 Cb 1.08 -0.45 0.43 0.00 -0.94 0.00 0.00 39.48 39.61 2i3i n PHE 148 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2i3i n PRO 149 N 0.32 0.13 0.00 -1.08 -0.04 -1.21 -2.21 135.00 130.90 2i3i n PRO 149 Ca 0.27 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.21 2i3i n PRO 149 Cb 0.53 -1.74 0.56 0.00 -0.04 0.00 0.00 33.50 32.81 2i3i n PRO 149 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i3i n GLY 150 N 0.11 -1.07 3.72 0.55 0.00 -1.26 -4.90 105.19 102.34 2i3i n GLY 150 Ca 0.03 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2i3i n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i3i h GLN 152 N 6.68 0.00 -0.43 0.00 1.08 -1.92 -1.41 115.11 119.11 2i3i h GLN 152 Ca -0.43 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.74 2i3i h GLN 152 Cb 1.20 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 2i3i h GLN 152 CO 0.91 0.61 0.16 0.35 -0.95 0.00 0.00 178.83 179.91 2i3i h PHE 153 N 0.00 0.67 -0.46 2.96 3.57 -1.95 -0.46 116.94 121.27 2i3i h PHE 153 Ca -0.02 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 2i3i h PHE 153 Cb 1.50 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 2i3i h PHE 153 CO 0.00 0.59 0.26 1.25 -2.23 0.00 0.00 178.31 178.18 2i3i h LEU 154 N 0.56 0.57 -0.35 0.59 5.85 -1.92 -0.60 115.31 120.01 2i3i h LEU 154 Ca 0.14 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2i3i h LEU 154 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2i3i h LEU 154 CO -0.01 0.49 0.22 0.25 -0.34 0.00 0.00 178.44 179.05 2i3i h LEU 155 N 0.61 0.38 -0.40 2.25 5.85 -1.13 0.13 115.31 122.99 2i3i h LEU 155 Ca 0.16 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2i3i h LEU 155 Cb 0.04 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2i3i h LEU 155 CO -0.03 0.27 0.15 -0.09 -0.34 0.00 0.00 178.44 178.41 2i3i h ARG 156 N 0.46 0.60 -0.07 1.25 9.65 -0.87 -0.97 114.38 124.43 2i3i h ARG 156 Ca 0.13 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 2i3i h ARG 156 Cb -0.03 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 2i3i h ARG 156 CO -0.04 0.57 -0.20 0.77 2.80 0.00 0.00 179.97 183.87 2i3i h SER 157 N 0.50 0.29 0.00 -3.80 0.02 -0.94 -3.40 113.55 106.22 2i3i h SER 157 Ca 0.13 -0.60 -0.13 0.00 -0.84 0.00 0.00 61.79 60.35 2i3i h SER 157 Cb 0.20 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2i3i h SER 157 CO -0.01 0.84 -1.79 0.29 -1.14 0.00 0.00 176.83 175.03 2i3i n LYS 158 N -4.55 1.17 0.00 3.45 4.76 0.02 -5.09 118.16 117.92 2i3i n LYS 158 Ca -0.08 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2i3i n LYS 158 Cb 0.42 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2i3i n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i3i n GLY 159 N 1.95 0.54 0.25 0.72 0.00 -0.37 -4.41 105.19 103.87 2i3i n GLY 159 Ca -0.13 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 2i3i n GLY 159 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2i3i h GLN 160 N 0.00 0.88 -0.71 1.61 5.75 -1.93 -3.01 115.11 117.71 2i3i h GLN 160 Ca 0.00 -0.50 0.06 0.00 -0.15 0.00 0.00 58.65 58.07 2i3i h GLN 160 Cb 0.00 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 2i3i h GLN 160 CO 0.00 1.14 0.40 0.93 -2.65 0.00 0.00 178.83 178.65 2i3i h GLU 161 N 0.68 0.71 -0.40 1.69 4.39 -1.98 0.76 114.58 120.42 2i3i h GLU 161 Ca 0.04 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2i3i h GLU 161 Cb 1.02 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2i3i h GLU 161 CO 0.10 0.47 0.24 -0.92 -1.16 0.00 0.00 179.01 177.74 2i3i h TYR 162 N 0.73 0.46 -0.23 4.33 3.20 -1.75 -1.13 116.97 122.58 2i3i h TYR 162 Ca 0.32 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 2i3i h TYR 162 Cb 0.21 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2i3i h TYR 162 CO -0.07 0.27 0.06 0.82 -1.64 0.00 0.00 178.16 177.60 2i3i h ILE 163 N 0.50 1.20 -0.90 1.81 2.04 -1.26 -2.75 117.51 118.15 2i3i h ILE 163 Ca 0.16 -0.65 0.09 0.00 1.00 0.00 0.00 64.86 65.46 2i3i h ILE 163 Cb -0.01 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2i3i h ILE 163 CO -0.06 0.21 0.58 0.78 0.00 0.00 0.00 178.15 179.65 2i3i h ASN 164 N 0.20 0.82 0.50 1.72 4.21 -0.65 -2.40 115.58 119.99 2i3i h ASN 164 Ca 0.07 0.02 -0.17 0.00 1.21 0.00 0.00 56.30 57.44 2i3i h ASN 164 Cb 0.26 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 2i3i h ASN 164 CO -0.00 0.49 -0.74 0.78 -1.29 0.00 0.00 177.43 176.67 2i3i h ASN 165 N 0.91 0.23 -0.01 5.81 2.35 -1.05 -3.08 115.58 120.73 2i3i h ASN 165 Ca 0.41 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 2i3i h ASN 165 Cb 0.38 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2i3i h ASN 165 CO -0.17 0.89 -0.35 0.40 -1.65 0.00 0.00 177.43 176.54 2i3i h ILE 166 N 0.12 1.29 0.00 2.81 2.04 -1.15 -3.52 117.51 119.11 2i3i h ILE 166 Ca -0.02 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.37 2i3i h ILE 166 Cb 1.30 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 2i3i h ILE 166 CO 0.11 0.46 0.00 1.41 0.00 0.00 0.00 178.15 180.13