#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7i s PRO 79 N 0.00 3.55 0.27 1.61 0.04 -1.26 -4.93 135.00 134.28 3f7i s PRO 79 Ca 0.00 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.95 3f7i s PRO 79 Cb 0.00 -2.37 0.36 0.00 0.04 0.00 0.00 34.50 32.53 3f7i s PRO 79 CO 0.00 -0.77 1.90 0.00 0.04 0.00 0.00 177.00 178.17 3f7i h ALA 80 N 1.87 1.29 -2.57 8.56 0.00 -0.72 -3.37 119.26 124.32 3f7i h ALA 80 Ca -0.50 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 53.70 3f7i h ALA 80 Cb 1.27 -0.31 -0.39 0.00 0.00 0.00 0.00 17.79 18.35 3f7i h ALA 80 CO 0.59 0.58 -0.86 0.12 0.00 0.00 0.00 179.25 179.68 3f7i s PHE 81 N -5.73 1.75 0.45 0.00 5.36 0.17 -5.00 117.98 114.99 3f7i s PHE 81 Ca -0.11 -2.58 0.18 0.00 -0.96 0.00 0.00 56.93 53.45 3f7i s PHE 81 Cb 0.17 -1.41 1.14 0.00 -0.34 0.00 0.00 43.02 42.58 3f7i s PHE 81 CO 0.81 -0.75 1.94 -1.35 -1.46 0.00 0.00 175.22 174.40 3f7i h PRO 82 N 5.63 0.31 0.00 10.12 0.11 -1.79 -2.45 132.00 143.93 3f7i h PRO 82 Ca 0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3f7i h PRO 82 Cb 0.87 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3f7i h PRO 82 CO 0.46 0.20 0.00 0.78 -0.21 0.00 0.00 178.00 179.23 3f7i h GLY 83 N 0.32 0.00 -2.44 -0.55 0.00 -1.94 -0.78 103.07 97.68 3f7i h GLY 83 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.57 3f7i h GLY 83 CO -0.09 0.00 0.07 1.03 0.00 0.00 0.00 176.54 177.55 3f7i n MET 84 N -2.96 3.10 0.28 4.80 2.81 -0.92 -4.60 117.12 119.62 3f7i n MET 84 Ca -0.02 -3.01 0.18 0.00 -1.81 0.00 0.00 57.70 53.04 3f7i n MET 84 Cb 0.10 -1.98 0.75 0.00 -0.71 0.00 0.00 33.22 31.37 3f7i n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3f7i h GLY 85 N 2.06 0.00 -5.33 3.03 0.00 -1.26 -3.43 103.07 98.14 3f7i h GLY 85 Ca 0.12 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 3f7i h GLY 85 CO 0.43 0.00 0.43 -0.45 0.00 0.00 0.00 176.54 176.95 3f7i s SER 86 N -5.52 6.98 0.31 0.19 0.15 -1.26 -4.95 113.70 109.60 3f7i s SER 86 Ca 0.00 1.21 0.02 0.00 0.70 0.00 0.00 55.95 57.88 3f7i s SER 86 Cb 0.09 -2.47 0.57 0.00 -1.71 0.00 0.00 66.02 62.51 3f7i s SER 86 CO 0.51 -0.42 1.91 -0.08 1.20 0.00 0.00 173.24 176.36 3f7i h GLU 87 N 7.34 0.95 -0.43 5.44 4.81 -1.89 -1.48 114.58 129.32 3f7i h GLU 87 Ca -0.28 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 3f7i h GLU 87 Cb 1.13 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 3f7i h GLU 87 CO 0.85 0.63 0.07 1.49 -0.73 0.00 0.00 179.01 181.32 3f7i h GLU 88 N 0.98 0.71 -0.80 1.92 4.57 -1.95 0.75 114.58 120.77 3f7i h GLU 88 Ca 0.39 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3f7i h GLU 88 Cb 0.26 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 3f7i h GLU 88 CO -0.15 0.75 0.44 -0.07 -1.18 0.00 0.00 179.01 178.80 3f7i h LEU 89 N 0.57 1.00 -0.54 1.64 3.38 -1.86 -1.18 115.31 118.31 3f7i h LEU 89 Ca 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3f7i h LEU 89 Cb 0.38 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3f7i h LEU 89 CO 0.01 0.80 0.25 0.03 0.09 0.00 0.00 178.44 179.63 3f7i h ARG 90 N 1.11 0.78 -0.76 1.13 3.08 -0.90 -2.57 114.38 116.26 3f7i h ARG 90 Ca 0.28 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3f7i h ARG 90 Cb 0.02 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3f7i h ARG 90 CO -0.05 0.65 0.40 1.25 -1.07 0.00 0.00 179.97 181.15 3f7i h LEU 91 N 0.73 0.96 -1.78 3.04 5.85 -0.57 -2.35 115.31 121.18 3f7i h LEU 91 Ca 0.18 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3f7i h LEU 91 Cb 0.13 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3f7i h LEU 91 CO -0.02 0.80 0.23 0.00 -0.34 0.00 0.00 178.44 179.11 3f7i h ALA 92 N 1.20 1.96 0.00 1.25 0.00 -0.97 -2.04 119.26 120.67 3f7i h ALA 92 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3f7i h ALA 92 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3f7i h ALA 92 CO -0.04 -0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.85 3f7i h SER 93 N 0.28 0.00 -0.26 0.00 4.64 -1.02 -2.94 113.55 114.25 3f7i h SER 93 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3f7i h SER 93 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3f7i h SER 93 CO -0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.42 3f7i n PHE 94 N -3.00 0.87 0.14 4.77 3.72 -0.77 -4.49 117.46 118.69 3f7i n PHE 94 Ca -0.01 -0.31 0.11 0.00 -0.05 0.00 0.00 57.45 57.18 3f7i n PHE 94 Cb 0.15 -0.25 0.61 0.00 -0.94 0.00 0.00 39.48 39.05 3f7i n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3f7i h TYR 95 N 1.79 0.11 -0.39 1.38 -0.00 -1.71 -1.62 116.97 116.52 3f7i h TYR 95 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.48 3f7i h TYR 95 Cb 1.07 -0.04 -0.17 0.00 0.00 0.00 0.00 36.73 37.59 3f7i h TYR 95 CO 0.45 0.06 -0.35 -3.47 -0.00 0.00 0.00 178.16 174.85 3f7i n ASP 96 N -4.49 3.19 -4.72 0.10 2.03 -1.26 -5.04 116.55 106.36 3f7i n ASP 96 Ca 0.02 -3.82 -0.42 0.00 0.52 0.00 0.00 54.79 51.09 3f7i n ASP 96 Cb 0.23 -0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 3f7i n ASP 96 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3f7i s TRP 97 N -3.38 3.07 -1.39 -0.67 -0.11 -0.61 -4.93 118.94 110.92 3f7i s TRP 97 Ca 0.45 0.70 0.29 0.00 1.22 0.00 0.00 56.10 58.76 3f7i s TRP 97 Cb 0.40 -3.86 1.28 0.00 -1.50 0.00 0.00 33.47 29.79 3f7i s TRP 97 CO -0.01 -3.16 1.91 -0.35 -4.62 0.00 0.00 176.95 170.72 3f7i n PRO 98 N 4.08 0.40 -2.42 5.86 -0.04 -1.26 -4.29 135.00 137.33 3f7i n PRO 98 Ca 0.13 -0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 3f7i n PRO 98 Cb 0.40 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 3f7i n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3f7i n LEU 99 N -1.23 4.08 -0.01 1.53 4.77 -1.26 -4.93 117.00 119.96 3f7i n LEU 99 Ca 0.12 -4.74 -0.09 0.00 -0.03 0.00 0.00 56.01 51.27 3f7i n LEU 99 Cb 0.28 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3f7i n LEU 99 CO 0.25 2.03 0.71 0.74 -1.33 0.00 0.00 177.39 179.79 3f7i h THR 100 N 2.74 0.45 -0.33 -5.08 2.02 -1.80 0.06 112.91 110.97 3f7i h THR 100 Ca 0.23 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.24 3f7i h THR 100 Cb 1.13 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3f7i h THR 100 CO 0.73 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 176.17 3f7i h ALA 101 N 0.72 0.56 -0.12 6.16 0.00 -1.97 -3.19 119.26 121.43 3f7i h ALA 101 Ca 0.11 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3f7i h ALA 101 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3f7i h ALA 101 CO -0.31 0.68 -0.39 0.93 0.00 0.00 0.00 179.25 180.17 3f7i h GLU 102 N 0.70 0.47 -2.58 0.00 3.07 -1.84 -3.40 114.58 111.00 3f7i h GLU 102 Ca 0.04 -0.35 -0.54 0.00 -0.50 0.00 0.00 59.36 58.01 3f7i h GLU 102 Cb 1.05 0.06 -0.39 0.00 -0.84 0.00 0.00 28.75 28.63 3f7i h GLU 102 CO 0.10 0.97 -0.81 0.08 -1.40 0.00 0.00 179.01 177.96 3f7i s VAL 103 N -3.82 0.02 0.16 3.13 1.01 -0.03 -1.72 120.40 119.14 3f7i s VAL 103 Ca -0.13 -1.32 -0.33 0.00 0.00 0.00 0.00 61.98 60.20 3f7i s VAL 103 Cb 0.05 -1.03 -0.13 0.00 0.00 0.00 0.00 36.38 35.27 3f7i s VAL 103 CO 0.80 -0.86 1.65 -2.65 0.00 0.00 0.00 175.10 174.04 3f7i n PRO 104 N 4.47 2.34 -0.34 2.72 -0.02 -1.20 -4.54 135.00 138.43 3f7i n PRO 104 Ca 0.06 0.85 0.20 0.00 -2.02 0.00 0.00 63.50 62.59 3f7i n PRO 104 Cb 0.39 -2.64 0.44 0.00 -0.02 0.00 0.00 33.50 31.67 3f7i n PRO 104 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3f7i h PRO 105 N 6.47 0.47 -0.94 0.52 0.11 -1.88 -1.51 132.00 135.24 3f7i h PRO 105 Ca -0.45 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.66 3f7i h PRO 105 Cb 1.24 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3f7i h PRO 105 CO 0.91 0.31 0.62 0.93 -0.21 0.00 0.00 178.00 180.56 3f7i h GLU 106 N 0.49 1.19 -0.20 1.05 3.07 -1.95 0.14 114.58 118.37 3f7i h GLU 106 Ca 0.64 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 59.24 3f7i h GLU 106 Cb 1.40 -0.27 0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3f7i h GLU 106 CO -0.42 0.79 -0.62 -0.07 -1.40 0.00 0.00 179.01 177.29 3f7i h LEU 107 N 1.23 0.89 -0.09 1.33 3.38 -1.68 -2.27 115.31 118.11 3f7i h LEU 107 Ca 0.36 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3f7i h LEU 107 Cb -0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 3f7i h LEU 107 CO -0.10 1.32 0.05 -0.07 0.09 0.00 0.00 178.44 179.73 3f7i h LEU 108 N 0.50 0.11 -0.55 1.67 3.38 -0.95 -1.99 115.31 117.48 3f7i h LEU 108 Ca -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3f7i h LEU 108 Cb 1.24 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3f7i h LEU 108 CO 0.13 0.15 0.31 0.00 0.09 0.00 0.00 178.44 179.12 3f7i h ALA 109 N 0.96 0.70 -0.28 1.53 0.00 -0.78 -1.24 119.26 120.15 3f7i h ALA 109 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3f7i h ALA 109 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3f7i h ALA 109 CO -0.01 0.21 0.18 0.00 0.00 0.00 0.00 179.25 179.64 3f7i h ALA 110 N 1.14 1.84 -0.28 0.00 0.00 -1.30 -1.71 119.26 118.95 3f7i h ALA 110 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3f7i h ALA 110 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3f7i h ALA 110 CO -0.03 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3f7i n ALA 111 N -2.50 2.57 -0.23 0.00 0.00 -0.76 -4.88 120.51 114.71 3f7i n ALA 111 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3f7i n ALA 111 Cb 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3f7i n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f7i n GLY 112 N 0.82 0.62 3.86 0.00 0.00 -0.64 -4.90 105.19 104.95 3f7i n GLY 112 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3f7i n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f7i s PHE 113 N -2.47 3.65 0.20 1.61 0.08 -0.53 -1.79 117.98 118.72 3f7i s PHE 113 Ca 0.00 0.82 0.11 0.00 0.12 0.00 0.00 56.93 57.99 3f7i s PHE 113 Cb 0.00 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3f7i s PHE 113 CO 0.00 0.61 -0.23 -0.59 -0.10 0.00 0.00 175.22 174.91 3f7i s PHE 114 N -1.22 2.32 -0.05 0.36 -0.12 -0.32 -3.61 117.98 115.35 3f7i s PHE 114 Ca 0.27 -0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 56.50 3f7i s PHE 114 Cb -0.15 -1.14 -0.02 0.00 -0.63 0.00 0.00 43.02 41.08 3f7i s PHE 114 CO 0.14 0.52 1.00 -1.58 -0.05 0.00 0.00 175.22 175.25 3f7i s HIS 115 N -1.73 3.58 0.06 3.49 5.65 -1.26 -1.35 115.29 123.72 3f7i s HIS 115 Ca 0.22 1.63 0.33 0.00 0.25 0.00 0.00 55.06 57.49 3f7i s HIS 115 Cb -0.08 -3.17 1.29 0.00 -1.18 0.00 0.00 32.58 29.45 3f7i s HIS 115 CO 0.11 -0.17 1.96 1.79 -0.65 0.00 0.00 174.74 177.77 3f7i h THR 116 N 4.93 0.00 0.00 0.89 1.35 -1.59 -3.46 112.91 115.03 3f7i h THR 116 Ca -0.36 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3f7i h THR 116 Cb 1.18 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3f7i h THR 116 CO 0.80 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 3f7i n GLY 117 N 0.12 0.65 3.31 5.82 0.00 -1.26 -5.05 105.19 108.77 3f7i n GLY 117 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3f7i n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f7i s HIS 118 N -2.33 2.90 0.00 1.61 3.76 -1.26 -5.03 115.29 114.94 3f7i s HIS 118 Ca 0.00 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.99 3f7i s HIS 118 Cb 0.00 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3f7i s HIS 118 CO 0.00 -0.48 0.00 1.04 -0.85 0.00 0.00 174.74 174.45 3f7i n GLN 119 N 4.42 0.00 -0.88 1.40 3.00 -1.26 -1.50 117.38 122.56 3f7i n GLN 119 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.75 3f7i n GLN 119 Cb 0.51 0.00 0.24 0.00 0.00 0.00 0.00 30.24 30.99 3f7i n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3f7i n ASP 120 N 0.90 3.68 -4.67 1.08 5.75 -1.26 -4.75 116.55 117.28 3f7i n ASP 120 Ca 0.00 -3.44 -0.42 0.00 -0.01 0.00 0.00 54.79 50.92 3f7i n ASP 120 Cb 0.00 -0.69 -0.03 0.00 -1.03 0.00 0.00 41.12 39.38 3f7i n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3f7i s LYS 121 N -3.10 4.27 0.32 0.11 1.02 -0.56 -4.48 119.74 117.32 3f7i s LYS 121 Ca 0.49 1.82 0.08 0.00 0.02 0.00 0.00 55.97 58.38 3f7i s LYS 121 Cb 0.42 -3.69 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 3f7i s LYS 121 CO 0.08 -0.63 -0.06 0.14 -0.92 0.00 0.00 175.35 173.96 3f7i s VAL 122 N 2.96 1.90 -0.09 3.17 -7.23 -0.02 -1.44 120.40 119.65 3f7i s VAL 122 Ca 0.60 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.53 3f7i s VAL 122 Cb -0.27 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.10 3f7i s VAL 122 CO 0.22 -0.21 0.28 -0.60 -0.31 0.00 0.00 175.10 174.47 3f7i s ARG 123 N -3.69 0.38 0.04 4.82 3.52 -0.46 -1.05 118.95 122.52 3f7i s ARG 123 Ca 0.32 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.90 3f7i s ARG 123 Cb 0.04 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 3f7i s ARG 123 CO 0.15 -0.06 0.94 0.00 -0.81 0.00 0.00 175.30 175.51 3f7i h PHE 125 N 6.25 0.00 0.00 0.00 -0.00 -1.65 -0.55 116.94 120.98 3f7i h PHE 125 Ca -0.42 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.47 3f7i h PHE 125 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 3f7i h PHE 125 CO 0.66 0.14 -0.77 0.34 -0.00 0.00 0.00 178.31 178.68 3f7i n PHE 126 N -3.84 0.93 0.89 6.09 -0.00 -1.26 -0.65 117.46 119.62 3f7i n PHE 126 Ca -0.02 0.40 0.12 0.00 -0.00 0.00 0.00 57.45 57.95 3f7i n PHE 126 Cb 0.24 -0.87 0.22 0.00 -0.00 0.00 0.00 39.48 39.07 3f7i n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3f7i n TYR 128 N -1.64 0.00 -2.48 0.00 9.36 -0.22 -4.94 117.16 117.24 3f7i n TYR 128 Ca 0.05 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.85 3f7i n TYR 128 Cb 0.36 -2.67 -0.03 0.00 -0.63 0.00 0.00 39.34 36.38 3f7i n TYR 128 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3f7i s GLY 129 N -2.81 2.47 -0.07 2.98 0.00 -1.26 -4.70 107.32 103.94 3f7i s GLY 129 Ca 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 3f7i s GLY 129 CO 0.00 1.99 0.13 -0.32 0.00 0.00 0.00 173.10 174.90 3f7i s GLY 130 N 1.09 2.11 0.00 0.20 0.00 -1.26 -1.42 107.32 108.04 3f7i s GLY 130 Ca 0.57 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.60 3f7i s GLY 130 CO 0.28 -0.52 -0.08 1.08 0.00 0.00 0.00 173.10 173.86 3f7i s LEU 131 N -1.34 2.05 0.00 0.66 1.43 -0.21 -4.99 118.68 116.27 3f7i s LEU 131 Ca 0.19 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3f7i s LEU 131 Cb -0.12 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 3f7i s LEU 131 CO 0.09 0.06 0.16 0.00 0.23 0.00 0.00 176.35 176.89 3f7i n GLN 132 N 2.67 0.23 -3.64 1.70 10.64 -1.26 -0.84 117.38 126.88 3f7i n GLN 132 Ca -0.15 -1.44 -0.20 0.00 -1.83 0.00 0.00 57.00 53.38 3f7i n GLN 132 Cb 0.57 1.25 0.04 0.00 -0.86 0.00 0.00 30.24 31.24 3f7i n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3f7i n SER 133 N -2.24 -1.40 -4.76 2.61 7.64 -1.26 -4.93 113.62 109.28 3f7i n SER 133 Ca 0.02 -0.78 -0.41 0.00 1.01 0.00 0.00 58.87 58.72 3f7i n SER 133 Cb 0.27 -4.27 -0.03 0.00 -1.01 0.00 0.00 64.21 59.17 3f7i n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3f7i s TRP 134 N -3.61 3.24 0.09 1.43 0.52 -1.26 -5.04 118.94 114.32 3f7i s TRP 134 Ca 0.01 1.49 0.03 0.00 0.02 0.00 0.00 56.10 57.65 3f7i s TRP 134 Cb -0.00 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.74 3f7i s TRP 134 CO 0.80 -1.42 0.10 0.15 0.02 0.00 0.00 176.95 176.59 3f7i s LYS 135 N -1.54 2.93 0.23 4.98 -0.14 -1.26 -5.05 119.74 119.90 3f7i s LYS 135 Ca 0.48 -0.70 -0.32 0.00 -1.36 0.00 0.00 55.97 54.07 3f7i s LYS 135 Cb -0.37 -2.74 -0.13 0.00 -1.68 0.00 0.00 37.83 32.91 3f7i s LYS 135 CO 0.48 0.55 1.54 2.89 -0.76 0.00 0.00 175.35 180.05 3f7i n ARG 136 N 0.29 2.35 -0.69 1.68 1.85 -1.26 -1.20 116.66 119.69 3f7i n ARG 136 Ca -0.08 0.84 0.00 0.00 -1.00 0.00 0.00 57.85 57.61 3f7i n ARG 136 Cb 0.52 -2.58 0.00 0.00 -1.05 0.00 0.00 32.46 29.35 3f7i n ARG 136 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3f7i n GLY 137 N 2.69 1.27 3.67 2.89 0.00 -0.70 -5.02 105.19 109.99 3f7i n GLY 137 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 3f7i n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f7i n ASP 138 N 0.00 2.56 -4.46 1.61 8.00 -0.34 -4.96 116.55 118.95 3f7i n ASP 138 Ca 0.00 1.17 -0.40 0.00 0.71 0.00 0.00 54.79 56.27 3f7i n ASP 138 Cb 0.00 -1.43 -0.11 0.00 -0.02 0.00 0.00 41.12 39.56 3f7i n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f7i s ASP 139 N -0.04 5.88 0.24 -2.24 2.15 -1.26 -4.88 116.67 116.52 3f7i s ASP 139 Ca 0.62 -0.65 -0.05 0.00 0.43 0.00 0.00 52.55 52.90 3f7i s ASP 139 Cb -0.63 -2.09 0.43 0.00 -0.30 0.00 0.00 42.92 40.33 3f7i s ASP 139 CO 0.56 -0.30 1.71 -0.65 -0.17 0.00 0.00 175.17 176.32 3f7i h PRO 140 N 8.47 0.34 -0.63 4.34 0.11 -1.93 -0.77 132.00 141.94 3f7i h PRO 140 Ca -0.30 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3f7i h PRO 140 Cb 1.14 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3f7i h PRO 140 CO 0.66 0.22 0.31 -1.49 -0.21 0.00 0.00 178.00 177.49 3f7i h TRP 141 N 0.35 0.89 -0.30 0.65 -0.00 -1.90 -0.46 115.95 115.18 3f7i h TRP 141 Ca 0.40 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.25 3f7i h TRP 141 Cb 0.62 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.49 3f7i h TRP 141 CO -0.21 0.67 0.20 1.15 -0.00 0.00 0.00 178.44 180.25 3f7i h THR 142 N 0.86 1.08 -0.55 1.49 2.02 -1.74 -1.77 112.91 114.30 3f7i h THR 142 Ca 0.22 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 3f7i h THR 142 Cb 0.10 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3f7i h THR 142 CO -0.03 0.08 0.08 -0.33 0.37 0.00 0.00 175.52 175.69 3f7i h GLU 143 N 0.41 0.89 -0.39 6.66 4.39 -0.97 0.09 114.58 125.65 3f7i h GLU 143 Ca 0.11 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.63 3f7i h GLU 143 Cb -0.05 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3f7i h GLU 143 CO -0.02 0.83 0.20 1.25 -1.16 0.00 0.00 179.01 180.11 3f7i h HIS 144 N 0.84 0.38 -0.11 4.33 2.76 -0.75 -1.81 115.15 120.78 3f7i h HIS 144 Ca 0.17 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 58.16 3f7i h HIS 144 Cb 0.38 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.23 3f7i h HIS 144 CO 0.02 0.20 -0.74 0.00 -1.30 0.00 0.00 177.93 176.12 3f7i h ALA 145 N 1.20 0.49 -0.02 5.26 0.00 -1.04 0.40 119.26 125.55 3f7i h ALA 145 Ca 0.16 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3f7i h ALA 145 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3f7i h ALA 145 CO -0.11 0.73 -0.04 -0.22 0.00 0.00 0.00 179.25 179.61 3f7i h LYS 146 N 0.39 -0.06 0.00 0.00 3.64 -0.85 -3.13 116.57 116.56 3f7i h LYS 146 Ca -0.04 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.04 3f7i h LYS 146 Cb 1.33 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 3f7i h LYS 146 CO 0.14 -0.04 -2.03 0.91 -2.27 0.00 0.00 179.45 176.16 3f7i n TRP 147 N -5.15 0.46 -3.06 1.91 7.02 -0.69 -4.62 117.44 113.31 3f7i n TRP 147 Ca -0.06 0.16 -0.21 0.00 -1.02 0.00 0.00 57.50 56.37 3f7i n TRP 147 Cb 0.08 -1.05 -0.03 0.00 -2.42 0.00 0.00 31.31 27.89 3f7i n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3f7i n PHE 148 N -2.84 1.80 0.28 -5.99 3.72 0.13 -4.95 117.46 109.61 3f7i n PHE 148 Ca -0.23 -3.84 0.16 0.00 -0.05 0.00 0.00 57.45 53.49 3f7i n PHE 148 Cb 1.06 -0.44 0.78 0.00 -0.94 0.00 0.00 39.48 39.94 3f7i n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3f7i h PRO 149 N 2.98 0.00 -0.01 -1.08 0.13 -1.66 -2.08 132.00 130.29 3f7i h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3f7i h PRO 149 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3f7i h PRO 149 CO 0.63 0.00 -0.08 0.41 -0.23 0.00 0.00 178.00 178.73 3f7i n GLY 150 N -0.77 -0.54 3.70 1.56 0.00 -1.26 -4.88 105.19 103.00 3f7i n GLY 150 Ca -0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3f7i n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f7i h GLN 152 N 7.97 0.00 -0.17 0.00 1.08 -1.91 -1.63 115.11 120.45 3f7i h GLN 152 Ca -0.44 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.76 3f7i h GLN 152 Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 3f7i h GLN 152 CO 0.94 0.73 0.10 0.35 -0.95 0.00 0.00 178.83 179.99 3f7i h PHE 153 N 0.00 0.23 -0.44 2.96 3.57 -1.95 0.70 116.94 122.01 3f7i h PHE 153 Ca -0.01 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3f7i h PHE 153 Cb 1.43 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 3f7i h PHE 153 CO 0.00 0.22 0.13 1.25 -2.23 0.00 0.00 178.31 177.68 3f7i h LEU 154 N 0.18 0.10 0.01 0.59 5.85 -1.90 -0.64 115.31 119.51 3f7i h LEU 154 Ca 0.06 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3f7i h LEU 154 Cb 0.06 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3f7i h LEU 154 CO -0.01 0.09 -0.01 0.25 -0.34 0.00 0.00 178.44 178.43 3f7i h LEU 155 N 0.28 -0.02 -0.98 2.25 5.85 -1.13 0.46 115.31 122.02 3f7i h LEU 155 Ca 0.21 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3f7i h LEU 155 Cb 0.23 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3f7i h LEU 155 CO -0.23 0.02 0.56 -0.09 -0.34 0.00 0.00 178.44 178.36 3f7i h ARG 156 N -0.05 1.26 0.04 1.25 9.65 -0.66 0.55 114.38 126.42 3f7i h ARG 156 Ca -0.00 -0.11 -0.10 0.00 -1.10 0.00 0.00 59.98 58.66 3f7i h ARG 156 Cb 0.05 -0.26 0.01 0.00 -1.39 0.00 0.00 29.97 28.37 3f7i h ARG 156 CO 0.00 0.88 -0.42 0.77 2.80 0.00 0.00 179.97 184.00 3f7i h SER 157 N 1.28 0.30 0.00 -3.80 0.02 -0.97 -3.40 113.55 106.98 3f7i h SER 157 Ca 0.33 -0.86 -0.04 0.00 -0.84 0.00 0.00 61.79 60.38 3f7i h SER 157 Cb -0.06 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3f7i h SER 157 CO -0.06 1.14 -1.66 0.29 -1.14 0.00 0.00 176.83 175.40 3f7i n LYS 158 N -4.37 0.65 0.00 3.45 4.76 0.14 -5.09 118.16 117.70 3f7i n LYS 158 Ca -0.11 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 3f7i n LYS 158 Cb 0.62 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 3f7i n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f7i n GLY 159 N 1.81 -0.93 0.19 0.72 0.00 0.18 -4.36 105.19 102.80 3f7i n GLY 159 Ca -0.05 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.27 3f7i n GLY 159 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3f7i h GLN 160 N 0.00 0.43 -0.84 1.61 5.75 -1.93 -3.12 115.11 117.02 3f7i h GLN 160 Ca 0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3f7i h GLN 160 Cb 0.00 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 3f7i h GLN 160 CO 0.00 0.89 0.53 0.93 -2.65 0.00 0.00 178.83 178.54 3f7i h GLU 161 N 0.32 1.11 -0.36 1.69 5.08 -1.98 0.55 114.58 120.99 3f7i h GLU 161 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3f7i h GLU 161 Cb 1.12 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3f7i h GLU 161 CO 0.10 0.76 0.23 -0.92 -1.00 0.00 0.00 179.01 178.18 3f7i h TYR 162 N 1.14 0.47 -0.27 4.33 3.20 -1.75 -1.22 116.97 122.86 3f7i h TYR 162 Ca 0.30 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 3f7i h TYR 162 Cb -0.09 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3f7i h TYR 162 CO -0.01 0.31 0.03 0.82 -1.64 0.00 0.00 178.16 177.68 3f7i h ILE 163 N 0.49 1.24 -0.87 1.81 2.04 -1.39 -2.89 117.51 117.93 3f7i h ILE 163 Ca 0.13 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.22 3f7i h ILE 163 Cb -0.03 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3f7i h ILE 163 CO -0.03 0.26 0.56 0.78 0.00 0.00 0.00 178.15 179.72 3f7i h ASN 164 N 0.26 0.92 0.26 1.72 2.35 -0.79 -2.57 115.58 117.74 3f7i h ASN 164 Ca 0.08 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3f7i h ASN 164 Cb 0.35 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3f7i h ASN 164 CO 0.01 0.62 -0.31 0.78 -1.65 0.00 0.00 177.43 176.88 3f7i h ASN 165 N 1.07 0.08 0.90 5.81 2.35 -1.10 -2.12 115.58 122.56 3f7i h ASN 165 Ca 0.36 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.98 3f7i h ASN 165 Cb 0.05 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3f7i h ASN 165 CO -0.13 0.39 -0.50 0.40 -1.65 0.00 0.00 177.43 175.93 3f7i h ILE 166 N 0.07 1.08 -0.02 2.81 2.04 -1.26 -3.52 117.51 118.71 3f7i h ILE 166 Ca 0.01 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 63.94 3f7i h ILE 166 Cb 0.59 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3f7i h ILE 166 CO 0.04 0.49 0.00 1.41 0.00 0.00 0.00 178.15 180.10