#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa4 s MET 3 N 0.00 4.40 0.13 0.54 -1.94 -1.26 -5.08 119.30 116.10 3fa4 s MET 3 Ca 0.00 1.87 0.04 0.00 -1.71 0.00 0.00 55.69 55.89 3fa4 s MET 3 Cb 0.00 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 3fa4 s MET 3 CO 0.00 -0.02 -0.10 0.14 -0.01 0.00 0.00 175.02 175.03 3fa4 s VAL 4 N -1.26 1.08 0.14 -6.03 -7.23 -1.26 -5.17 120.40 100.67 3fa4 s VAL 4 Ca 0.49 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 3fa4 s VAL 4 Cb -0.32 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3fa4 s VAL 4 CO 0.42 -0.69 -0.17 0.28 -0.31 0.00 0.00 175.10 174.63 3fa4 s THR 5 N -3.05 1.61 -0.90 5.32 -1.32 -1.26 -5.03 115.64 111.01 3fa4 s THR 5 Ca 0.13 -1.78 0.14 0.00 -1.21 0.00 0.00 61.69 58.98 3fa4 s THR 5 Cb 0.01 -1.67 0.13 0.00 -1.51 0.00 0.00 72.50 69.46 3fa4 s THR 5 CO 0.00 -0.31 1.46 0.00 -2.21 0.00 0.00 174.62 173.55 3fa4 n ALA 6 N 0.51 1.58 0.04 11.08 0.00 -1.25 -2.46 120.51 130.01 3fa4 n ALA 6 Ca -0.15 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.30 3fa4 n ALA 6 Cb 0.56 -1.23 0.41 0.00 0.00 0.00 0.00 19.45 19.19 3fa4 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa4 h ALA 7 N 2.40 1.63 -0.32 0.00 0.00 -1.82 -1.93 119.26 119.21 3fa4 h ALA 7 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3fa4 h ALA 7 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3fa4 h ALA 7 CO 0.00 0.30 -0.12 1.15 0.00 0.00 0.00 179.25 180.58 3fa4 h THR 8 N 0.44 1.29 0.05 0.00 2.02 -1.73 -1.88 112.91 113.10 3fa4 h THR 8 Ca 0.11 -1.21 -0.23 0.00 0.77 0.00 0.00 66.41 65.85 3fa4 h THR 8 Cb 0.10 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3fa4 h THR 8 CO -0.01 0.39 -1.07 0.77 0.37 0.00 0.00 175.52 175.97 3fa4 h SER 9 N 0.42 0.25 -0.87 4.18 4.64 -1.71 -1.73 113.55 118.73 3fa4 h SER 9 Ca 0.08 -0.25 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3fa4 h SER 9 Cb 0.64 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 3fa4 h SER 9 CO 0.04 1.15 0.57 0.25 -0.87 0.00 0.00 176.83 177.97 3fa4 h LEU 10 N 0.06 0.95 -0.32 5.97 5.85 -1.37 -0.79 115.31 125.66 3fa4 h LEU 10 Ca -0.07 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 3fa4 h LEU 10 Cb 1.78 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 3fa4 h LEU 10 CO 0.16 0.66 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.58 3fa4 h ARG 11 N 1.10 0.74 -0.28 1.25 2.43 -1.20 -2.16 114.38 116.26 3fa4 h ARG 11 Ca 0.34 -0.36 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 3fa4 h ARG 11 Cb -0.01 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3fa4 h ARG 11 CO -0.10 0.98 -0.49 0.00 -1.51 0.00 0.00 179.97 178.86 3fa4 h ARG 12 N 0.50 0.75 -0.45 0.20 3.08 -1.14 -3.01 114.38 114.31 3fa4 h ARG 12 Ca 0.06 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3fa4 h ARG 12 Cb 0.81 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 3fa4 h ARG 12 CO 0.07 1.07 0.21 0.00 -1.07 0.00 0.00 179.97 180.25 3fa4 h ALA 13 N 0.85 1.53 0.00 0.04 0.00 -1.05 -1.75 119.26 118.88 3fa4 h ALA 13 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3fa4 h ALA 13 Cb 1.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3fa4 h ALA 13 CO 0.10 0.38 -0.16 -0.07 0.00 0.00 0.00 179.25 179.50 3fa4 h LEU 14 N 0.63 0.00 0.00 0.00 3.38 -1.29 -2.82 115.31 115.21 3fa4 h LEU 14 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3fa4 h LEU 14 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fa4 h LEU 14 CO -0.02 0.16 -0.12 -0.33 0.09 0.00 0.00 178.44 178.21 3fa4 h GLU 15 N 0.00 0.00 -6.02 1.13 5.08 -1.20 -3.41 114.58 110.16 3fa4 h GLU 15 Ca -0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 3fa4 h GLU 15 Cb 0.70 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.84 3fa4 h GLU 15 CO 0.02 0.00 0.63 1.21 -1.00 0.00 0.00 179.01 179.87 3fa4 s ASN 16 N -5.72 6.38 0.00 1.42 3.84 -1.06 -4.90 114.94 114.89 3fa4 s ASN 16 Ca 0.07 -0.20 0.00 0.00 0.21 0.00 0.00 52.86 52.94 3fa4 s ASN 16 Cb 0.07 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.32 3fa4 s ASN 16 CO 0.67 -1.23 0.75 -0.81 -2.79 0.00 0.00 177.10 173.69 3fa4 n PRO 17 N 7.55 0.00 0.00 0.43 -0.04 -1.26 -2.42 135.00 139.25 3fa4 n PRO 17 Ca 0.03 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 3fa4 n PRO 17 Cb 0.48 -1.57 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 3fa4 n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fa4 n ASP 18 N -1.25 1.36 -4.78 3.54 8.00 -1.26 -4.90 116.55 117.25 3fa4 n ASP 18 Ca 0.00 -1.18 -0.37 0.00 0.71 0.00 0.00 54.79 53.95 3fa4 n ASP 18 Cb 0.07 0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 41.93 3fa4 n ASP 18 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3fa4 s SER 19 N -2.78 7.07 -0.10 -2.24 1.04 -1.02 -5.07 113.70 110.61 3fa4 s SER 19 Ca 0.12 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.47 3fa4 s SER 19 Cb 0.16 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.73 3fa4 s SER 19 CO 0.75 -0.27 -0.09 0.12 0.98 0.00 0.00 173.24 174.73 3fa4 s PHE 20 N -1.67 1.53 -0.23 5.02 5.36 -1.26 -4.83 117.98 121.91 3fa4 s PHE 20 Ca 0.54 -0.73 -0.10 0.00 -0.96 0.00 0.00 56.93 55.69 3fa4 s PHE 20 Cb -0.20 -1.22 -0.05 0.00 -0.34 0.00 0.00 43.02 41.22 3fa4 s PHE 20 CO 0.25 -0.47 0.13 0.42 -1.46 0.00 0.00 175.22 174.09 3fa4 s ILE 21 N 1.42 5.13 -0.22 3.12 1.01 0.84 -4.98 121.20 127.54 3fa4 s ILE 21 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 3fa4 s ILE 21 Cb -0.13 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 3fa4 s ILE 21 CO -0.05 0.37 0.04 -0.69 0.00 0.00 0.00 174.94 174.61 3fa4 s VAL 22 N 0.96 4.26 -0.27 2.92 1.01 -1.26 -1.16 120.40 126.86 3fa4 s VAL 22 Ca 0.06 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3fa4 s VAL 22 Cb -0.13 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.37 3fa4 s VAL 22 CO 0.03 0.40 -0.02 0.00 0.00 0.00 0.00 175.10 175.51 3fa4 s ALA 23 N 1.14 2.15 0.47 5.51 0.00 -0.36 -3.77 121.76 126.90 3fa4 s ALA 23 Ca 0.04 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.10 3fa4 s ALA 23 Cb -0.14 -1.58 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 3fa4 s ALA 23 CO 0.03 -1.36 1.13 -1.25 0.00 0.00 0.00 175.76 174.31 3fa4 s PRO 24 N 1.30 3.73 0.12 0.00 0.04 -1.26 -1.97 135.00 136.95 3fa4 s PRO 24 Ca -0.01 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3fa4 s PRO 24 Cb -0.19 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 3fa4 s PRO 24 CO -0.09 -0.55 0.97 0.20 0.04 0.00 0.00 177.00 177.57 3fa4 s GLY 25 N -1.53 3.00 0.04 0.56 0.00 0.68 -1.25 107.32 108.83 3fa4 s GLY 25 Ca 0.65 0.59 0.03 0.00 0.00 0.00 0.00 44.72 45.99 3fa4 s GLY 25 CO 0.31 1.47 -0.09 -1.34 0.00 0.00 0.00 173.10 173.44 3fa4 s VAL 26 N -0.03 0.69 0.00 1.40 -7.23 0.22 -3.95 120.40 111.50 3fa4 s VAL 26 Ca 0.47 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3fa4 s VAL 26 Cb -0.24 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 35.99 3fa4 s VAL 26 CO 0.30 -0.27 0.13 0.00 -0.31 0.00 0.00 175.10 174.95 3fa4 n TYR 27 N 1.60 0.00 -3.44 2.82 4.11 -1.26 -2.20 117.16 118.79 3fa4 n TYR 27 Ca -0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.65 3fa4 n TYR 27 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 3fa4 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa4 n ASP 28 N -0.25 -0.62 -0.14 9.48 5.75 -1.26 -4.45 116.55 125.06 3fa4 n ASP 28 Ca 0.00 -1.55 -0.12 0.00 -0.01 0.00 0.00 54.79 53.11 3fa4 n ASP 28 Cb 0.06 1.06 -0.01 0.00 -1.03 0.00 0.00 41.12 41.20 3fa4 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa4 h GLY 29 N 0.63 1.07 0.42 6.12 0.00 -1.97 -2.84 103.07 106.50 3fa4 h GLY 29 Ca -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.21 3fa4 h GLY 29 CO 0.13 0.91 -0.14 -2.00 0.00 0.00 0.00 176.54 175.45 3fa4 h LEU 30 N 0.82 -0.32 -0.90 3.11 6.46 -1.99 -1.49 115.31 121.00 3fa4 h LEU 30 Ca 0.09 -0.18 0.22 0.00 -0.12 0.00 0.00 57.88 57.89 3fa4 h LEU 30 Cb 0.88 0.08 -0.13 0.00 -0.73 0.00 0.00 40.66 40.77 3fa4 h LEU 30 CO 0.08 0.16 0.40 0.77 -0.62 0.00 0.00 178.44 179.23 3fa4 h SER 31 N -0.97 0.34 -0.35 1.25 4.64 -1.98 -1.64 113.55 114.85 3fa4 h SER 31 Ca -0.04 0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3fa4 h SER 31 Cb 0.48 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3fa4 h SER 31 CO 0.06 -0.00 0.04 0.00 -0.87 0.00 0.00 176.83 176.06 3fa4 h ALA 32 N 1.72 0.46 -0.88 5.18 0.00 -1.49 0.61 119.26 124.85 3fa4 h ALA 32 Ca 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3fa4 h ALA 32 Cb 1.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3fa4 h ALA 32 CO -0.53 0.18 0.55 0.00 0.00 0.00 0.00 179.25 179.45 3fa4 h ARG 33 N 0.41 1.19 -0.06 0.00 2.47 -0.70 -1.10 114.38 116.59 3fa4 h ARG 33 Ca 0.10 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 3fa4 h ARG 33 Cb 0.38 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3fa4 h ARG 33 CO 0.01 0.82 -0.17 0.28 0.56 0.00 0.00 179.97 181.47 3fa4 h VAL 34 N 1.21 1.43 -0.15 2.04 2.07 -1.12 -1.53 116.25 120.20 3fa4 h VAL 34 Ca 0.32 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.34 3fa4 h VAL 34 Cb -0.08 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3fa4 h VAL 34 CO -0.06 0.43 0.02 0.00 0.02 0.00 0.00 177.57 177.98 3fa4 h ALA 35 N 0.46 0.14 -0.98 1.67 0.00 -0.76 -2.61 119.26 117.17 3fa4 h ALA 35 Ca -0.00 0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.15 3fa4 h ALA 35 Cb 0.77 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 3fa4 h ALA 35 CO 0.04 -0.42 0.63 -0.07 0.00 0.00 0.00 179.25 179.42 3fa4 h LEU 36 N 0.08 0.55 -0.93 0.00 -0.00 -1.16 -2.58 115.31 111.27 3fa4 h LEU 36 Ca 0.07 0.07 -0.08 0.00 -0.00 0.00 0.00 57.88 57.94 3fa4 h LEU 36 Cb 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 3fa4 h LEU 36 CO -0.09 0.18 -0.37 -1.28 -0.00 0.00 0.00 178.44 176.87 3fa4 h SER 37 N 0.53 0.00 1.22 -0.43 0.87 -0.98 -2.35 113.55 112.41 3fa4 h SER 37 Ca 0.55 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 3fa4 h SER 37 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3fa4 h SER 37 CO -0.29 0.37 0.00 0.00 -0.53 0.00 0.00 176.83 176.39 3fa4 h ALA 38 N 1.63 1.00 0.00 6.23 0.00 -1.10 -3.48 119.26 123.54 3fa4 h ALA 38 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fa4 h ALA 38 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3fa4 h ALA 38 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3fa4 n GLY 39 N 0.47 1.43 3.74 0.00 0.00 -0.88 -5.09 105.19 104.85 3fa4 n GLY 39 Ca 0.03 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3fa4 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 40 N -2.00 3.60 -1.93 1.61 0.40 -1.22 -4.97 117.98 113.47 3fa4 s PHE 40 Ca 0.00 1.60 0.29 0.00 -0.60 0.00 0.00 56.93 58.22 3fa4 s PHE 40 Cb 0.00 -3.27 1.35 0.00 0.51 0.00 0.00 43.02 41.62 3fa4 s PHE 40 CO 0.00 -0.58 1.92 -0.25 0.70 0.00 0.00 175.22 177.01 3fa4 n ASP 41 N 2.48 0.60 -3.68 1.36 8.00 -1.26 -4.75 116.55 119.30 3fa4 n ASP 41 Ca 0.03 -0.90 -0.14 0.00 0.71 0.00 0.00 54.79 54.49 3fa4 n ASP 41 Cb 0.46 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.46 3fa4 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa4 s ALA 42 N -2.25 -1.06 0.24 2.24 0.00 -1.25 -4.12 121.76 115.57 3fa4 s ALA 42 Ca 0.36 0.50 0.10 0.00 0.00 0.00 0.00 51.96 52.91 3fa4 s ALA 42 Cb 0.21 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 3fa4 s ALA 42 CO 0.42 -0.36 -0.18 -0.51 0.00 0.00 0.00 175.76 175.12 3fa4 s LEU 43 N -1.60 2.56 -0.21 0.00 1.43 0.19 -4.02 118.68 117.04 3fa4 s LEU 43 Ca -0.10 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 3fa4 s LEU 43 Cb -0.02 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.33 3fa4 s LEU 43 CO 0.02 -0.05 -0.08 -0.47 0.23 0.00 0.00 176.35 176.00 3fa4 s TYR 44 N -2.65 2.41 -0.45 0.29 5.04 -0.38 -0.71 117.35 120.90 3fa4 s TYR 44 Ca 0.26 -1.66 -0.28 0.00 -2.44 0.00 0.00 57.07 52.94 3fa4 s TYR 44 Cb -0.03 -1.61 0.01 0.00 0.35 0.00 0.00 41.96 40.67 3fa4 s TYR 44 CO 0.11 -0.75 1.43 1.41 -1.34 0.00 0.00 175.55 176.40 3fa4 s MET 45 N 1.39 3.48 0.17 4.97 -2.45 0.72 0.69 119.30 128.28 3fa4 s MET 45 Ca -0.03 0.81 -0.30 0.00 -1.25 0.00 0.00 55.69 54.92 3fa4 s MET 45 Cb -0.17 -4.06 -0.07 0.00 1.25 0.00 0.00 34.83 31.78 3fa4 s MET 45 CO -0.07 -1.69 1.00 -0.08 1.05 0.00 0.00 175.02 175.23 3fa4 s THR 46 N 5.68 4.16 0.12 10.11 -1.32 -0.93 -3.02 115.64 130.44 3fa4 s THR 46 Ca 0.59 1.91 -0.03 0.00 -1.21 0.00 0.00 61.69 62.96 3fa4 s THR 46 Cb -0.13 -4.22 -0.21 0.00 -1.51 0.00 0.00 72.50 66.43 3fa4 s THR 46 CO 0.31 0.35 1.26 1.23 -2.21 0.00 0.00 174.62 175.56 3fa4 h GLY 47 N 5.01 0.37 0.78 6.08 0.00 -1.92 -0.42 103.07 112.96 3fa4 h GLY 47 Ca -0.44 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.14 3fa4 h GLY 47 CO 0.71 0.65 0.01 0.00 0.00 0.00 0.00 176.54 177.90 3fa4 h ALA 48 N 0.73 0.17 -0.53 3.60 0.00 -1.97 0.02 119.26 121.27 3fa4 h ALA 48 Ca -0.09 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.74 3fa4 h ALA 48 Cb 1.69 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.35 3fa4 h ALA 48 CO 0.17 -0.15 0.05 0.78 0.00 0.00 0.00 179.25 180.10 3fa4 h GLY 49 N -0.04 0.61 1.27 0.00 0.00 -1.90 -1.88 103.07 101.13 3fa4 h GLY 49 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3fa4 h GLY 49 CO 0.01 -0.13 0.21 -0.84 0.00 0.00 0.00 176.54 175.79 3fa4 h THR 50 N 0.17 1.23 -0.17 4.70 2.02 -0.84 -2.22 112.91 117.80 3fa4 h THR 50 Ca 0.27 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 3fa4 h THR 50 Cb 0.41 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3fa4 h THR 50 CO -0.41 0.30 0.03 0.00 0.37 0.00 0.00 175.52 175.81 3fa4 h ALA 51 N 1.33 0.22 -0.44 6.16 0.00 -0.70 -1.88 119.26 123.95 3fa4 h ALA 51 Ca 0.21 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3fa4 h ALA 51 Cb 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3fa4 h ALA 51 CO -0.01 -0.12 0.16 0.00 0.00 0.00 0.00 179.25 179.28 3fa4 h ALA 52 N 0.82 0.53 0.33 0.00 0.00 -1.12 -0.51 119.26 119.31 3fa4 h ALA 52 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3fa4 h ALA 52 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fa4 h ALA 52 CO 0.00 -0.23 -0.16 1.03 0.00 0.00 0.00 179.25 179.90 3fa4 h SER 53 N 0.33 -0.37 -0.64 0.00 0.87 -1.39 0.43 113.55 112.76 3fa4 h SER 53 Ca 0.21 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 3fa4 h SER 53 Cb 0.19 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 3fa4 h SER 53 CO -0.21 -0.08 0.22 -0.37 -0.53 0.00 0.00 176.83 175.86 3fa4 h VAL 54 N -0.81 1.24 0.00 2.23 -1.51 -1.48 -3.33 116.25 112.60 3fa4 h VAL 54 Ca -0.05 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 3fa4 h VAL 54 Cb 0.34 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 3fa4 h VAL 54 CO 0.07 0.32 -0.68 1.41 -1.23 0.00 0.00 177.57 177.47 3fa4 n HIS 55 N -4.27 0.00 -2.47 5.19 8.25 -0.24 -5.02 115.22 116.66 3fa4 n HIS 55 Ca 0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.32 3fa4 n HIS 55 Cb 0.21 -0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 3fa4 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 56 N 1.38 -0.45 3.30 -1.41 0.00 0.15 -4.93 105.19 103.24 3fa4 n GLY 56 Ca 0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 3fa4 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fa4 s GLN 57 N -5.08 1.20 0.85 1.61 2.00 -1.19 -4.95 119.66 114.10 3fa4 s GLN 57 Ca 0.04 -1.42 -0.11 0.00 -2.00 0.00 0.00 55.36 51.87 3fa4 s GLN 57 Cb -0.02 -1.06 0.10 0.00 0.80 0.00 0.00 33.01 32.83 3fa4 s GLN 57 CO 0.05 0.19 1.09 0.00 -0.50 0.00 0.00 175.29 176.13 3fa4 s ALA 58 N -2.51 1.81 -1.16 1.58 0.00 -1.26 -2.66 121.76 117.56 3fa4 s ALA 58 Ca 0.16 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 3fa4 s ALA 58 Cb -0.03 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3fa4 s ALA 58 CO 0.05 -2.12 1.81 0.34 0.00 0.00 0.00 175.76 175.85 3fa4 s ASP 59 N -3.53 5.80 -0.18 0.00 3.68 -1.26 -4.65 116.67 116.52 3fa4 s ASP 59 Ca 0.62 -1.74 0.14 0.00 2.13 0.00 0.00 52.55 53.70 3fa4 s ASP 59 Cb -0.17 -2.58 0.43 0.00 -1.45 0.00 0.00 42.92 39.15 3fa4 s ASP 59 CO 0.56 -2.23 1.20 0.18 0.13 0.00 0.00 175.17 175.01 3fa4 n LEU 60 N 11.75 2.63 -0.54 -1.34 4.77 -1.26 -4.98 117.00 128.03 3fa4 n LEU 60 Ca 0.44 -3.63 -0.06 0.00 -0.03 0.00 0.00 56.01 52.73 3fa4 n LEU 60 Cb 0.47 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3fa4 n LEU 60 CO 0.69 1.32 -0.06 0.61 -1.33 0.00 0.00 177.39 178.62 3fa4 n GLY 61 N -0.75 0.46 0.06 -0.72 0.00 -1.26 -4.94 105.19 98.04 3fa4 n GLY 61 Ca 0.19 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.60 3fa4 n GLY 61 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fa4 n ILE 62 N -3.45 0.35 -2.82 -0.61 -0.00 -1.26 -4.86 119.36 106.71 3fa4 n ILE 62 Ca -0.06 -0.28 -0.41 0.00 -0.00 0.00 0.00 62.75 62.00 3fa4 n ILE 62 Cb 0.37 -0.11 -0.04 0.00 -0.00 0.00 0.00 39.64 39.86 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3fa4 s THR 64 N 0.32 2.08 0.22 0.00 -4.23 -1.26 -4.92 115.64 107.85 3fa4 s THR 64 Ca 0.45 -0.66 -0.08 0.00 -1.18 0.00 0.00 61.69 60.22 3fa4 s THR 64 Cb -0.21 -2.42 0.16 0.00 1.34 0.00 0.00 72.50 71.36 3fa4 s THR 64 CO 0.27 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.42 3fa4 h LEU 65 N -0.47 0.64 -0.52 4.79 5.85 -1.97 -2.45 115.31 121.19 3fa4 h LEU 65 Ca -0.35 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3fa4 h LEU 65 Cb 1.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3fa4 h LEU 65 CO 0.39 0.41 0.31 0.78 -0.34 0.00 0.00 178.44 179.99 3fa4 h ASN 66 N 0.77 0.51 0.32 1.25 4.21 -1.98 0.10 115.58 120.77 3fa4 h ASN 66 Ca 0.32 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.82 3fa4 h ASN 66 Cb 0.17 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 3fa4 h ASN 66 CO -0.18 0.36 -0.15 0.44 -1.29 0.00 0.00 177.43 176.61 3fa4 h ASP 67 N 0.62 -0.37 0.29 5.81 3.32 -1.88 -2.01 116.42 122.21 3fa4 h ASP 67 Ca 0.21 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3fa4 h ASP 67 Cb 0.01 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3fa4 h ASP 67 CO -0.09 -0.09 -0.14 0.24 -1.72 0.00 0.00 179.24 177.44 3fa4 h MET 68 N -0.65 -0.38 -0.81 3.56 2.86 -1.44 -2.65 114.93 115.43 3fa4 h MET 68 Ca -0.04 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.78 3fa4 h MET 68 Cb 0.46 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 3fa4 h MET 68 CO 0.07 -0.21 0.53 -0.09 1.06 0.00 0.00 176.91 178.28 3fa4 h ARG 69 N -0.46 0.46 0.12 1.72 1.12 -1.06 -1.38 114.38 114.89 3fa4 h ARG 69 Ca -0.04 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 3fa4 h ARG 69 Cb 0.35 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 3fa4 h ARG 69 CO 0.07 0.30 -0.06 0.00 -3.11 0.00 0.00 179.97 177.17 3fa4 h ALA 70 N 1.63 -0.16 -0.16 2.80 0.00 -1.27 -1.81 119.26 120.30 3fa4 h ALA 70 Ca 0.40 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3fa4 h ALA 70 Cb 0.87 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3fa4 h ALA 70 CO -0.15 -0.47 -0.20 -0.97 0.00 0.00 0.00 179.25 177.46 3fa4 h ASN 71 N -0.39 0.26 0.25 0.00 -1.24 -1.29 -2.10 115.58 111.07 3fa4 h ASN 71 Ca -0.02 -0.07 -0.34 0.00 0.71 0.00 0.00 56.30 56.58 3fa4 h ASN 71 Cb 0.32 -0.07 0.03 0.00 0.73 0.00 0.00 38.32 39.33 3fa4 h ASN 71 CO 0.03 0.48 -1.56 0.00 -1.29 0.00 0.00 177.43 175.08 3fa4 h ALA 72 N 1.55 -0.07 -0.64 1.57 0.00 -1.31 -2.56 119.26 117.80 3fa4 h ALA 72 Ca 0.04 -0.95 0.03 0.00 0.00 0.00 0.00 54.91 54.04 3fa4 h ALA 72 Cb 0.50 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3fa4 h ALA 72 CO 0.03 0.80 0.39 1.49 0.00 0.00 0.00 179.25 181.96 3fa4 h GLU 73 N 0.14 0.73 -0.43 0.00 4.81 -1.31 -1.19 114.58 117.33 3fa4 h GLU 73 Ca -0.28 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.79 3fa4 h GLU 73 Cb 2.15 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.35 3fa4 h GLU 73 CO 0.25 0.49 -0.17 0.00 -0.73 0.00 0.00 179.01 178.84 3fa4 h MET 74 N 0.76 0.83 -0.49 1.92 -0.00 -1.45 -2.98 114.93 113.51 3fa4 h MET 74 Ca 0.26 -0.31 -0.12 0.00 -0.00 0.00 0.00 59.70 59.53 3fa4 h MET 74 Cb 0.05 -0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 31.59 3fa4 h MET 74 CO -0.12 0.94 -0.16 0.82 -0.00 0.00 0.00 176.91 178.40 3fa4 h ILE 75 N 0.74 1.27 0.00 -0.10 2.04 -1.38 -2.88 117.51 117.20 3fa4 h ILE 75 Ca 0.11 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 3fa4 h ILE 75 Cb 0.69 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3fa4 h ILE 75 CO 0.05 0.45 -0.05 0.28 0.00 0.00 0.00 178.15 178.88 3fa4 h SER 76 N 0.84 0.00 -0.25 1.72 0.02 -1.21 -3.23 113.55 111.45 3fa4 h SER 76 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3fa4 h SER 76 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3fa4 h SER 76 CO 0.05 0.05 0.00 0.59 -1.14 0.00 0.00 176.83 176.38 3fa4 n ASN 77 N -3.21 2.65 -0.03 3.07 3.02 -1.12 -3.62 115.26 116.01 3fa4 n ASN 77 Ca -0.00 -1.82 -0.12 0.00 -0.03 0.00 0.00 54.58 52.61 3fa4 n ASN 77 Cb 0.27 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.22 3fa4 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa4 h ILE 78 N 2.26 1.24 -3.06 2.41 2.04 -1.52 -3.38 117.51 117.51 3fa4 h ILE 78 Ca 0.00 -0.76 -0.61 0.00 1.00 0.00 0.00 64.86 64.48 3fa4 h ILE 78 Cb 0.66 1.52 -0.40 0.00 -0.74 0.00 0.00 36.82 37.87 3fa4 h ILE 78 CO 0.00 0.22 -0.73 -0.55 0.00 0.00 0.00 178.15 177.09 3fa4 s SER 79 N -5.68 3.77 0.10 1.72 0.15 -1.26 -5.02 113.70 107.49 3fa4 s SER 79 Ca -0.14 -2.55 0.14 0.00 0.70 0.00 0.00 55.95 54.10 3fa4 s SER 79 Cb 0.05 -1.08 0.62 0.00 -1.71 0.00 0.00 66.02 63.90 3fa4 s SER 79 CO 0.70 -0.28 1.43 -2.65 1.20 0.00 0.00 173.24 173.64 3fa4 n PRO 80 N 3.65 0.06 0.03 5.44 -0.02 -1.24 -1.45 135.00 141.47 3fa4 n PRO 80 Ca 0.07 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 3fa4 n PRO 80 Cb 0.35 -1.65 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 3fa4 n PRO 80 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fa4 n SER 81 N -1.77 0.62 -4.62 2.55 3.41 -1.26 -3.85 113.62 108.69 3fa4 n SER 81 Ca 0.02 -0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 57.99 3fa4 n SER 81 Cb 0.12 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 64.78 3fa4 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa4 s THR 82 N -3.18 4.86 0.00 6.66 2.01 -0.53 -4.79 115.64 120.68 3fa4 s THR 82 Ca 0.04 1.23 -0.36 0.00 0.31 0.00 0.00 61.69 62.91 3fa4 s THR 82 Cb 0.14 -4.07 -0.15 0.00 0.01 0.00 0.00 72.50 68.43 3fa4 s THR 82 CO 0.80 -0.13 1.59 -2.65 -0.69 0.00 0.00 174.62 173.53 3fa4 n PRO 83 N 6.01 1.62 -3.85 4.92 -0.02 -1.26 -4.86 135.00 137.56 3fa4 n PRO 83 Ca 0.03 0.59 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 3fa4 n PRO 83 Cb 0.48 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 3fa4 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa4 s VAL 84 N 1.87 3.70 -0.19 -1.45 1.01 -1.26 -0.63 120.40 123.44 3fa4 s VAL 84 Ca 0.87 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 3fa4 s VAL 84 Cb -0.85 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3fa4 s VAL 84 CO 0.49 0.35 0.60 -0.63 0.00 0.00 0.00 175.10 175.91 3fa4 s ILE 85 N 1.52 5.05 -0.03 2.22 1.01 0.12 -1.84 121.20 129.23 3fa4 s ILE 85 Ca 0.05 1.13 0.06 0.00 0.00 0.00 0.00 60.65 61.90 3fa4 s ILE 85 Cb -0.15 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 3fa4 s ILE 85 CO -0.01 0.14 -0.22 0.00 0.00 0.00 0.00 174.94 174.85 3fa4 s ALA 86 N 1.75 2.31 0.30 9.38 0.00 -0.26 -0.20 121.76 135.05 3fa4 s ALA 86 Ca 0.28 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 3fa4 s ALA 86 Cb -0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 23.12 22.17 3fa4 s ALA 86 CO 0.10 0.52 1.32 0.34 0.00 0.00 0.00 175.76 178.04 3fa4 s ASP 87 N -0.57 6.80 -0.05 0.00 -1.08 -1.17 -2.52 116.67 118.09 3fa4 s ASP 87 Ca 0.08 2.63 0.07 0.00 -0.52 0.00 0.00 52.55 54.81 3fa4 s ASP 87 Cb -0.11 -2.64 0.11 0.00 -1.46 0.00 0.00 42.92 38.82 3fa4 s ASP 87 CO 0.00 -0.54 1.02 0.00 0.52 0.00 0.00 175.17 176.18 3fa4 n ALA 88 N 1.27 2.04 0.00 3.66 0.00 -1.10 -4.88 120.51 121.50 3fa4 n ALA 88 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.89 3fa4 n ALA 88 Cb 0.42 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3fa4 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa4 n ASP 89 N -0.54 0.00 -0.28 0.00 8.00 -1.25 -0.21 116.55 122.26 3fa4 n ASP 89 Ca 0.06 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.61 3fa4 n ASP 89 Cb 0.65 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.85 3fa4 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa4 n THR 90 N 0.00 1.40 -1.00 -3.53 -2.24 -1.26 -1.73 114.28 105.92 3fa4 n THR 90 Ca 0.00 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 3fa4 n THR 90 Cb 0.00 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3fa4 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa4 n GLY 91 N -0.51 0.44 2.25 3.38 0.00 0.71 -4.22 105.19 107.23 3fa4 n GLY 91 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 3fa4 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa4 n TYR 92 N -2.82 0.00 0.00 1.61 4.02 -1.26 -2.87 117.16 115.84 3fa4 n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fa4 n TYR 92 Cb 0.07 -1.54 0.00 0.00 -0.02 0.00 0.00 39.34 37.85 3fa4 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa4 n GLY 93 N -1.95 0.07 3.27 2.72 0.00 -1.26 -4.90 105.19 103.14 3fa4 n GLY 93 Ca -0.07 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 3fa4 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa4 n GLY 94 N 0.00 -1.16 0.69 -0.02 0.00 -1.26 -4.68 105.19 98.76 3fa4 n GLY 94 Ca 0.00 -1.75 0.51 0.00 0.00 0.00 0.00 46.02 44.78 3fa4 n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fa4 n PRO 95 N -3.27 0.00 0.08 1.61 -0.02 -1.26 -0.92 135.00 131.22 3fa4 n PRO 95 Ca 0.14 1.06 -0.08 0.00 -2.02 0.00 0.00 63.50 62.60 3fa4 n PRO 95 Cb 0.49 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 3fa4 n PRO 95 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3fa4 h ILE 96 N 0.00 1.62 0.00 4.25 1.08 -1.96 -1.13 117.51 121.36 3fa4 h ILE 96 Ca 0.89 -3.10 -0.16 0.00 -0.39 0.00 0.00 64.86 62.11 3fa4 h ILE 96 Cb 3.66 2.73 -0.03 0.00 -3.07 0.00 0.00 36.82 40.12 3fa4 h ILE 96 CO -0.01 0.89 -1.17 0.24 -0.69 0.00 0.00 178.15 177.41 3fa4 h MET 97 N 0.03 0.00 -0.28 2.37 2.86 -1.29 -2.50 114.93 116.13 3fa4 h MET 97 Ca -0.04 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 3fa4 h MET 97 Cb 1.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 3fa4 h MET 97 CO 0.14 0.38 -0.19 0.28 1.06 0.00 0.00 176.91 178.58 3fa4 h VAL 98 N 0.00 1.30 -0.18 -2.22 2.07 -1.23 0.19 116.25 116.18 3fa4 h VAL 98 Ca -0.12 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.09 3fa4 h VAL 98 Cb 1.56 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3fa4 h VAL 98 CO 0.06 0.42 0.08 0.00 0.02 0.00 0.00 177.57 178.15 3fa4 h ALA 99 N 0.72 0.21 -0.72 1.67 0.00 -1.30 0.15 119.26 119.99 3fa4 h ALA 99 Ca 0.06 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3fa4 h ALA 99 Cb 0.73 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3fa4 h ALA 99 CO 0.05 -0.34 0.42 0.00 0.00 0.00 0.00 179.25 179.38 3fa4 h ARG 100 N 0.18 0.75 -0.56 0.00 3.08 -1.42 0.46 114.38 116.88 3fa4 h ARG 100 Ca 0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3fa4 h ARG 100 Cb 0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3fa4 h ARG 100 CO -0.05 0.50 0.27 1.15 -1.07 0.00 0.00 179.97 180.76 3fa4 h THR 101 N 0.78 1.20 -0.46 2.04 2.02 -0.43 -1.53 112.91 116.53 3fa4 h THR 101 Ca 0.31 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3fa4 h THR 101 Cb 0.16 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3fa4 h THR 101 CO -0.17 0.23 0.20 0.74 0.37 0.00 0.00 175.52 176.89 3fa4 h THR 102 N 0.76 1.20 -0.25 3.16 2.02 -0.11 -1.65 112.91 118.04 3fa4 h THR 102 Ca 0.19 -0.59 -0.14 0.00 0.77 0.00 0.00 66.41 66.64 3fa4 h THR 102 Cb 0.12 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3fa4 h THR 102 CO -0.02 0.22 -0.44 -0.33 0.37 0.00 0.00 175.52 175.32 3fa4 h GLU 103 N 0.59 0.62 -0.28 6.66 5.08 -0.89 -2.42 114.58 123.94 3fa4 h GLU 103 Ca 0.15 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 3fa4 h GLU 103 Cb 0.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3fa4 h GLU 103 CO -0.02 0.93 -0.09 1.96 -1.00 0.00 0.00 179.01 180.80 3fa4 h GLN 104 N 0.50 0.56 -0.51 2.33 4.20 -1.03 -1.87 115.11 119.29 3fa4 h GLN 104 Ca 0.03 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 3fa4 h GLN 104 Cb 0.96 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3fa4 h GLN 104 CO 0.09 0.77 0.28 1.88 -0.67 0.00 0.00 178.83 181.18 3fa4 h TYR 105 N 0.31 0.70 0.30 2.96 -1.99 -1.29 -2.35 116.97 115.61 3fa4 h TYR 105 Ca 0.07 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 3fa4 h TYR 105 Cb 0.58 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 3fa4 h TYR 105 CO 0.05 0.51 -0.30 0.77 -0.00 0.00 0.00 178.16 179.20 3fa4 h SER 106 N 0.68 -0.81 -1.38 3.88 0.02 -1.35 -0.87 113.55 113.71 3fa4 h SER 106 Ca 0.18 0.06 0.41 0.00 -0.84 0.00 0.00 61.79 61.61 3fa4 h SER 106 Cb 0.05 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.76 3fa4 h SER 106 CO -0.03 -0.39 0.94 0.03 -1.14 0.00 0.00 176.83 176.24 3fa4 h ARG 107 N -0.59 0.09 0.00 3.45 3.08 -1.38 -1.56 114.38 117.47 3fa4 h ARG 107 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3fa4 h ARG 107 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3fa4 h ARG 107 CO -0.03 0.06 -0.05 0.77 -1.07 0.00 0.00 179.97 179.65 3fa4 h SER 108 N 0.10 0.00 0.00 7.04 0.02 -1.22 -3.48 113.55 116.02 3fa4 h SER 108 Ca 0.75 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.69 3fa4 h SER 108 Cb 2.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.12 3fa4 h SER 108 CO -0.21 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.09 3fa4 n GLY 109 N 1.21 0.97 3.75 -3.77 0.00 -0.59 -4.66 105.19 102.11 3fa4 n GLY 109 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3fa4 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa4 s VAL 110 N -2.00 2.24 -0.12 1.61 1.01 -0.37 -4.46 120.40 118.31 3fa4 s VAL 110 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 3fa4 s VAL 110 Cb 0.00 -3.14 -0.26 0.00 0.00 0.00 0.00 36.38 32.98 3fa4 s VAL 110 CO 0.00 0.04 0.44 0.00 0.00 0.00 0.00 175.10 175.58 3fa4 h ALA 111 N 4.50 0.29 -2.31 5.51 0.00 -1.68 -3.41 119.26 122.16 3fa4 h ALA 111 Ca -0.48 -1.24 -0.11 0.00 0.00 0.00 0.00 54.91 53.08 3fa4 h ALA 111 Cb 1.22 0.61 -0.15 0.00 0.00 0.00 0.00 17.79 19.48 3fa4 h ALA 111 CO 0.76 1.04 -0.60 0.00 0.00 0.00 0.00 179.25 180.44 3fa4 s ALA 112 N -2.51 0.32 -0.01 0.00 0.00 -1.03 -1.20 121.76 117.33 3fa4 s ALA 112 Ca -0.22 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.52 3fa4 s ALA 112 Cb 0.06 0.32 0.03 0.00 0.00 0.00 0.00 23.12 23.53 3fa4 s ALA 112 CO 0.75 -0.40 0.36 -0.59 0.00 0.00 0.00 175.76 175.88 3fa4 s PHE 113 N -3.89 -0.24 -0.10 0.00 -0.12 -0.84 -1.10 117.98 111.69 3fa4 s PHE 113 Ca 0.06 0.35 0.01 0.00 -0.05 0.00 0.00 56.93 57.30 3fa4 s PHE 113 Cb 0.07 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 3fa4 s PHE 113 CO -0.10 -0.44 -0.12 -3.38 -0.05 0.00 0.00 175.22 171.13 3fa4 s HIS 114 N -1.50 2.81 -0.07 3.49 -3.43 -1.05 -1.60 115.29 113.95 3fa4 s HIS 114 Ca -0.12 -0.36 0.03 0.00 -0.80 0.00 0.00 55.06 53.81 3fa4 s HIS 114 Cb -0.04 -1.77 -0.02 0.00 -1.43 0.00 0.00 32.58 29.33 3fa4 s HIS 114 CO 0.04 0.01 -0.17 0.96 -2.00 0.00 0.00 174.74 173.58 3fa4 s ILE 115 N -0.16 2.80 0.58 -5.38 -5.25 -0.84 -2.69 121.20 110.26 3fa4 s ILE 115 Ca 0.00 -0.80 0.08 0.00 -0.99 0.00 0.00 60.65 58.95 3fa4 s ILE 115 Cb -0.13 -2.10 0.08 0.00 2.95 0.00 0.00 42.46 43.25 3fa4 s ILE 115 CO 0.03 0.57 0.68 -1.83 -1.79 0.00 0.00 174.94 172.60 3fa4 s GLU 116 N -0.30 2.24 -0.19 0.37 -1.05 -0.71 -1.06 118.70 118.01 3fa4 s GLU 116 Ca 0.02 -1.82 0.16 0.00 -0.15 0.00 0.00 54.97 53.17 3fa4 s GLU 116 Cb -0.13 -2.44 0.50 0.00 -0.44 0.00 0.00 34.13 31.62 3fa4 s GLU 116 CO 0.03 -0.84 1.40 -0.40 0.95 0.00 0.00 175.26 176.40 3fa4 n ASP 117 N -2.12 3.48 -4.70 0.83 5.75 -1.22 -4.78 116.55 113.79 3fa4 n ASP 117 Ca 0.10 -3.16 -0.27 0.00 -0.01 0.00 0.00 54.79 51.46 3fa4 n ASP 117 Cb 0.63 -0.55 0.10 0.00 -1.03 0.00 0.00 41.12 40.27 3fa4 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa4 s GLN 118 N -2.91 1.73 0.91 0.11 -0.21 -1.26 -1.26 119.66 116.77 3fa4 s GLN 118 Ca 0.42 -0.41 -0.14 0.00 0.02 0.00 0.00 55.36 55.25 3fa4 s GLN 118 Cb 0.35 -2.11 0.18 0.00 1.00 0.00 0.00 33.01 32.43 3fa4 s GLN 118 CO 0.07 -1.57 1.27 0.14 -2.12 0.00 0.00 175.29 173.07 3fa4 s VAL 119 N -3.40 2.02 -0.70 1.09 -7.23 -1.15 -4.60 120.40 106.43 3fa4 s VAL 119 Ca 0.65 -0.08 0.05 0.00 -1.81 0.00 0.00 61.98 60.78 3fa4 s VAL 119 Cb -0.08 -2.94 0.25 0.00 0.56 0.00 0.00 36.38 34.17 3fa4 s VAL 119 CO 0.47 0.00 0.83 0.00 -0.31 0.00 0.00 175.10 176.08 3fa4 n GLN 120 N -3.60 2.74 -2.34 4.82 0.00 -1.26 -4.94 117.38 112.79 3fa4 n GLN 120 Ca 0.14 -4.65 -0.43 0.00 0.00 0.00 0.00 57.00 52.07 3fa4 n GLN 120 Cb 0.60 -2.30 -0.02 0.00 0.00 0.00 0.00 30.24 28.52 3fa4 n GLN 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 3fa4 s LYS 130 N -2.45 4.24 -0.12 2.61 2.47 -1.26 -5.11 119.74 120.13 3fa4 s LYS 130 Ca 0.38 1.77 -0.01 0.00 -1.56 0.00 0.00 55.97 56.55 3fa4 s LYS 130 Cb 0.12 -3.76 -0.02 0.00 -1.46 0.00 0.00 37.83 32.71 3fa4 s LYS 130 CO -0.01 -0.69 -0.08 0.42 0.16 0.00 0.00 175.35 175.16 3fa4 s ILE 131 N 3.34 3.57 0.24 5.43 1.01 -1.26 -5.00 121.20 128.53 3fa4 s ILE 131 Ca 0.59 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.55 3fa4 s ILE 131 Cb -0.25 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.74 3fa4 s ILE 131 CO 0.19 0.54 0.61 -1.48 0.00 0.00 0.00 174.94 174.80 3fa4 s LEU 132 N -0.05 -0.12 0.36 2.97 0.05 -1.26 -2.94 118.68 117.69 3fa4 s LEU 132 Ca -0.00 -0.55 0.08 0.00 0.05 0.00 0.00 54.13 53.71 3fa4 s LEU 132 Cb -0.13 2.40 -0.05 0.00 -2.05 0.00 0.00 46.19 46.36 3fa4 s LEU 132 CO 0.03 -1.19 0.10 0.54 -0.55 0.00 0.00 176.35 175.28 3fa4 s VAL 133 N -3.90 2.71 0.99 1.48 0.11 -0.39 -4.80 120.40 116.60 3fa4 s VAL 133 Ca 0.11 -1.80 -0.14 0.00 -2.93 0.00 0.00 61.98 57.22 3fa4 s VAL 133 Cb -0.03 -2.92 0.18 0.00 -1.53 0.00 0.00 36.38 32.09 3fa4 s VAL 133 CO 0.02 -0.15 1.16 1.51 -3.33 0.00 0.00 175.10 174.31 3fa4 s ASP 134 N -3.81 2.83 0.01 3.54 -4.77 -1.26 -4.86 116.67 108.35 3fa4 s ASP 134 Ca 0.37 0.80 -0.19 0.00 -3.30 0.00 0.00 52.55 50.23 3fa4 s ASP 134 Cb -0.00 -1.23 -0.23 0.00 -1.09 0.00 0.00 42.92 40.37 3fa4 s ASP 134 CO 0.21 -2.96 1.12 0.71 0.70 0.00 0.00 175.17 174.95 3fa4 h THR 135 N -1.78 1.42 0.00 2.11 1.35 -1.99 -2.67 112.91 111.34 3fa4 h THR 135 Ca -0.49 -2.05 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 3fa4 h THR 135 Cb 1.31 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 3fa4 h THR 135 CO 0.52 0.60 0.00 -0.90 -0.25 0.00 0.00 175.52 175.49 3fa4 n ASP 136 N -4.21 0.51 -0.11 5.36 5.68 -1.26 -0.27 116.55 122.25 3fa4 n ASP 136 Ca -0.10 0.61 -0.09 0.00 -0.50 0.00 0.00 54.79 54.71 3fa4 n ASP 136 Cb 0.67 -0.72 0.05 0.00 -1.14 0.00 0.00 41.12 39.98 3fa4 n ASP 136 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3fa4 h THR 137 N 0.00 1.27 0.51 2.12 2.02 -1.94 -1.08 112.91 115.81 3fa4 h THR 137 Ca 0.00 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 3fa4 h THR 137 Cb 0.40 1.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3fa4 h THR 137 CO 0.00 0.46 -0.25 0.22 0.37 0.00 0.00 175.52 176.33 3fa4 h TYR 138 N 0.73 -0.64 -1.06 3.16 3.20 -0.98 -3.07 116.97 118.31 3fa4 h TYR 138 Ca 0.10 -0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.23 3fa4 h TYR 138 Cb 0.78 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 39.16 3fa4 h TYR 138 CO 0.04 -0.40 0.68 0.28 -1.64 0.00 0.00 178.16 177.13 3fa4 h VAL 139 N -0.96 0.49 -0.42 1.81 2.07 -0.74 -0.70 116.25 117.79 3fa4 h VAL 139 Ca -0.07 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3fa4 h VAL 139 Cb 0.53 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3fa4 h VAL 139 CO 0.12 0.07 0.20 0.74 0.02 0.00 0.00 177.57 178.72 3fa4 h THR 140 N 0.36 1.18 -0.54 2.57 2.02 -1.24 -1.00 112.91 116.26 3fa4 h THR 140 Ca 0.61 -0.50 0.11 0.00 0.77 0.00 0.00 66.41 67.40 3fa4 h THR 140 Cb 1.61 0.73 -0.10 0.00 -1.74 0.00 0.00 68.15 68.64 3fa4 h THR 140 CO -0.31 0.19 -0.13 0.03 0.37 0.00 0.00 175.52 175.67 3fa4 h ARG 141 N 0.54 0.00 -0.48 6.66 3.08 -1.05 -1.28 114.38 121.85 3fa4 h ARG 141 Ca 0.15 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3fa4 h ARG 141 Cb 0.12 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3fa4 h ARG 141 CO -0.02 0.00 0.31 0.82 -1.07 0.00 0.00 179.97 180.01 3fa4 h ILE 142 N 0.00 1.10 -0.69 2.04 2.04 -0.99 -2.00 117.51 119.01 3fa4 h ILE 142 Ca 0.26 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3fa4 h ILE 142 Cb 0.39 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3fa4 h ILE 142 CO -0.55 0.11 0.42 -0.09 0.00 0.00 0.00 178.15 178.04 3fa4 h ARG 143 N 0.63 0.78 -0.17 2.37 9.65 -0.97 -0.71 114.38 125.96 3fa4 h ARG 143 Ca 0.18 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.06 3fa4 h ARG 143 Cb -0.04 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.32 3fa4 h ARG 143 CO -0.06 0.52 -0.10 0.00 2.80 0.00 0.00 179.97 183.13 3fa4 h ALA 144 N 1.31 0.04 -0.22 2.80 0.00 -0.84 0.19 119.26 122.54 3fa4 h ALA 144 Ca 0.29 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3fa4 h ALA 144 Cb 0.07 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3fa4 h ALA 144 CO -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.59 3fa4 h ALA 145 N 1.05 0.30 -0.18 0.00 0.00 -1.18 -2.19 119.26 117.06 3fa4 h ALA 145 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3fa4 h ALA 145 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fa4 h ALA 145 CO -0.22 0.02 -0.13 0.28 0.00 0.00 0.00 179.25 179.20 3fa4 h VAL 146 N 0.17 1.19 0.09 0.00 2.07 -0.91 -2.99 116.25 115.87 3fa4 h VAL 146 Ca 0.06 -0.83 -0.26 0.00 0.82 0.00 0.00 66.70 66.49 3fa4 h VAL 146 Cb 0.39 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3fa4 h VAL 146 CO 0.01 0.26 -1.17 1.56 0.02 0.00 0.00 177.57 178.26 3fa4 h GLN 147 N 0.28 0.23 -0.22 1.57 4.20 -0.64 -3.00 115.11 117.52 3fa4 h GLN 147 Ca 0.06 -0.37 -0.11 0.00 0.06 0.00 0.00 58.65 58.28 3fa4 h GLN 147 Cb 0.40 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3fa4 h GLN 147 CO 0.02 1.16 -0.34 0.00 -0.67 0.00 0.00 178.83 179.00 3fa4 h ALA 148 N 0.68 0.99 0.03 3.87 0.00 -1.38 -1.98 119.26 121.47 3fa4 h ALA 148 Ca -0.10 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 3fa4 h ALA 148 Cb 1.90 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 3fa4 h ALA 148 CO 0.19 0.60 -1.07 0.07 0.00 0.00 0.00 179.25 179.04 3fa4 h ARG 149 N 0.41 0.06 -0.01 0.00 0.11 -1.63 -2.97 114.38 110.35 3fa4 h ARG 149 Ca 0.05 -0.11 -0.13 0.00 0.10 0.00 0.00 59.98 59.89 3fa4 h ARG 149 Cb 0.80 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.90 3fa4 h ARG 149 CO 0.06 1.04 -0.62 1.96 0.10 0.00 0.00 179.97 182.52 3fa4 h GLN 150 N 0.02 0.02 -0.44 0.08 4.20 -1.45 0.24 115.11 117.79 3fa4 h GLN 150 Ca -0.04 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 3fa4 h GLN 150 Cb 1.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.59 3fa4 h GLN 150 CO 0.15 0.63 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.60 3fa4 h ARG 151 N 0.02 0.94 -0.01 1.46 2.43 -1.40 -3.16 114.38 114.66 3fa4 h ARG 151 Ca -0.01 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3fa4 h ARG 151 Cb 1.10 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3fa4 h ARG 151 CO 0.08 1.09 -0.47 0.44 -1.51 0.00 0.00 179.97 179.60 3fa4 n ILE 152 N -4.14 0.00 -1.01 1.20 -5.35 -1.12 -4.97 119.36 103.96 3fa4 n ILE 152 Ca -0.01 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3fa4 n ILE 152 Cb 0.47 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 3fa4 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa4 n GLY 153 N 1.42 0.48 3.74 3.28 0.00 0.21 -5.04 105.19 109.27 3fa4 n GLY 153 Ca 0.09 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 3fa4 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa4 s SER 154 N -2.87 7.24 0.00 1.61 0.15 0.61 -4.95 113.70 115.48 3fa4 s SER 154 Ca 0.00 1.48 0.13 0.00 0.70 0.00 0.00 55.95 58.27 3fa4 s SER 154 Cb 0.00 -2.49 0.59 0.00 -1.71 0.00 0.00 66.02 62.42 3fa4 s SER 154 CO 0.00 -0.03 1.41 0.47 1.20 0.00 0.00 173.24 176.30 3fa4 n ASP 155 N 2.97 0.86 -4.65 5.45 8.00 -1.26 -4.62 116.55 123.31 3fa4 n ASP 155 Ca -0.01 -1.75 -0.47 0.00 0.71 0.00 0.00 54.79 53.27 3fa4 n ASP 155 Cb 0.50 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 3fa4 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa4 n ILE 156 N -0.14 0.38 -2.66 0.53 3.06 -1.26 -4.58 119.36 114.69 3fa4 n ILE 156 Ca 0.11 -0.09 -0.43 0.00 -2.50 0.00 0.00 62.75 59.84 3fa4 n ILE 156 Cb 0.17 -1.34 -0.02 0.00 0.54 0.00 0.00 39.64 38.99 3fa4 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa4 s VAL 157 N 0.44 4.69 -0.43 9.51 1.01 -0.34 -4.99 120.40 130.29 3fa4 s VAL 157 Ca 0.76 2.02 -0.20 0.00 0.00 0.00 0.00 61.98 64.56 3fa4 s VAL 157 Cb -0.73 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.37 3fa4 s VAL 157 CO 0.44 -0.14 0.59 -0.69 0.00 0.00 0.00 175.10 175.30 3fa4 s VAL 158 N 2.93 4.90 -0.25 2.92 1.01 -1.26 -1.98 120.40 128.66 3fa4 s VAL 158 Ca 0.45 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 3fa4 s VAL 158 Cb -0.16 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3fa4 s VAL 158 CO 0.09 -0.53 0.21 -0.63 0.00 0.00 0.00 175.10 174.24 3fa4 s ILE 159 N 2.64 5.31 -0.42 2.22 1.01 -0.63 0.57 121.20 131.90 3fa4 s ILE 159 Ca 0.20 0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 3fa4 s ILE 159 Cb -0.15 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.79 3fa4 s ILE 159 CO 0.17 0.28 0.63 0.00 0.00 0.00 0.00 174.94 176.03 3fa4 s ALA 160 N 1.43 3.37 0.00 9.38 0.00 0.12 -1.99 121.76 134.08 3fa4 s ALA 160 Ca 0.09 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 3fa4 s ALA 160 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3fa4 s ALA 160 CO 0.08 -1.67 0.10 0.50 0.00 0.00 0.00 175.76 174.76 3fa4 s ARG 161 N 2.76 3.10 -0.04 0.00 3.52 -0.22 -1.06 118.95 127.01 3fa4 s ARG 161 Ca 0.23 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 3fa4 s ARG 161 Cb -0.14 -2.88 0.02 0.00 -1.56 0.00 0.00 34.95 30.39 3fa4 s ARG 161 CO 0.18 0.64 -0.05 -0.08 -0.81 0.00 0.00 175.30 175.18 3fa4 s THR 162 N -1.23 0.57 -0.38 4.11 -1.32 -0.65 -3.45 115.64 113.28 3fa4 s THR 162 Ca 0.24 -0.16 0.06 0.00 -1.21 0.00 0.00 61.69 60.62 3fa4 s THR 162 Cb -0.12 -0.57 0.62 0.00 -1.51 0.00 0.00 72.50 70.91 3fa4 s THR 162 CO 0.15 0.22 1.75 0.47 -2.21 0.00 0.00 174.62 175.01 3fa4 n ASP 163 N 3.89 3.36 -0.26 8.08 8.00 -1.26 -2.02 116.55 136.35 3fa4 n ASP 163 Ca -0.24 -3.64 0.14 0.00 0.71 0.00 0.00 54.79 51.75 3fa4 n ASP 163 Cb 0.51 -0.76 0.52 0.00 -0.02 0.00 0.00 41.12 41.37 3fa4 n ASP 163 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fa4 n SER 164 N -1.08 0.94 -0.20 -2.24 3.41 -1.26 -4.59 113.62 108.60 3fa4 n SER 164 Ca 0.49 -0.97 -0.03 0.00 -0.26 0.00 0.00 58.87 58.10 3fa4 n SER 164 Cb 1.43 0.03 0.08 0.00 -0.26 0.00 0.00 64.21 65.49 3fa4 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa4 h LEU 165 N 1.26 0.45 0.00 1.04 5.85 -1.83 0.14 115.31 122.23 3fa4 h LEU 165 Ca 0.00 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3fa4 h LEU 165 Cb 0.43 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3fa4 h LEU 165 CO 0.00 0.30 -0.74 1.56 -0.34 0.00 0.00 178.44 179.22 3fa4 h GLN 166 N 0.59 0.00 0.03 1.25 1.08 -1.90 0.19 115.11 116.35 3fa4 h GLN 166 Ca 0.26 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.11 3fa4 h GLN 166 Cb 0.16 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 3fa4 h GLN 166 CO -0.17 0.35 -2.09 0.25 -0.95 0.00 0.00 178.83 176.22 3fa4 n THR 167 N -3.07 1.59 0.08 -0.54 -2.24 -0.96 -4.51 114.28 104.63 3fa4 n THR 167 Ca -0.01 -0.73 0.01 0.00 -2.27 0.00 0.00 64.05 61.05 3fa4 n THR 167 Cb 0.73 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 3fa4 n THR 167 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fa4 n HIS 168 N -3.14 0.00 0.00 4.78 8.25 0.46 -5.13 115.22 120.44 3fa4 n HIS 168 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3fa4 n HIS 168 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 3fa4 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 169 N 0.43 -2.33 0.14 -1.41 0.00 0.67 -4.38 105.19 98.31 3fa4 n GLY 169 Ca 0.01 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 3fa4 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa4 h TYR 170 N 0.00 0.17 -0.17 1.61 3.20 -1.89 -2.46 116.97 117.43 3fa4 h TYR 170 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3fa4 h TYR 170 Cb 0.00 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3fa4 h TYR 170 CO 0.00 0.06 -0.06 0.93 -1.64 0.00 0.00 178.16 177.46 3fa4 h GLU 171 N 0.22 0.25 0.19 1.82 4.39 -1.96 -1.80 114.58 117.69 3fa4 h GLU 171 Ca 0.15 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.49 3fa4 h GLU 171 Cb 0.13 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3fa4 h GLU 171 CO -0.17 0.33 -1.42 1.49 -1.16 0.00 0.00 179.01 178.08 3fa4 h GLU 172 N 0.24 0.41 -0.55 2.33 4.57 -1.73 -2.56 114.58 117.29 3fa4 h GLU 172 Ca 0.06 -0.70 0.10 0.00 -1.18 0.00 0.00 59.36 57.64 3fa4 h GLU 172 Cb 0.26 0.26 -0.11 0.00 -0.16 0.00 0.00 28.75 29.00 3fa4 h GLU 172 CO 0.01 1.33 -0.30 0.77 -1.18 0.00 0.00 179.01 179.63 3fa4 h SER 173 N 0.11 -1.05 -0.75 1.04 0.02 -1.31 -0.97 113.55 110.65 3fa4 h SER 173 Ca -0.22 0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3fa4 h SER 173 Cb 2.08 0.53 -0.03 0.00 0.14 0.00 0.00 62.40 65.12 3fa4 h SER 173 CO 0.23 -0.29 0.26 0.58 -1.14 0.00 0.00 176.83 176.47 3fa4 h VAL 174 N -0.16 1.26 -0.51 2.27 2.07 -1.35 -2.15 116.25 117.67 3fa4 h VAL 174 Ca 0.23 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3fa4 h VAL 174 Cb 0.53 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3fa4 h VAL 174 CO -0.64 0.34 0.26 0.00 0.02 0.00 0.00 177.57 177.56 3fa4 h ALA 175 N 1.18 0.65 -0.54 1.67 0.00 -1.22 -1.47 119.26 119.52 3fa4 h ALA 175 Ca 0.25 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.28 3fa4 h ALA 175 Cb 0.26 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3fa4 h ALA 175 CO -0.01 -0.08 0.06 0.00 0.00 0.00 0.00 179.25 179.22 3fa4 h ARG 176 N 0.51 0.18 -0.72 0.00 3.08 -0.97 -2.05 114.38 114.41 3fa4 h ARG 176 Ca 0.22 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 3fa4 h ARG 176 Cb 0.12 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3fa4 h ARG 176 CO -0.15 0.12 0.21 -0.07 -1.07 0.00 0.00 179.97 179.01 3fa4 h LEU 177 N 0.18 1.06 -0.47 3.04 3.38 -0.94 -2.15 115.31 119.43 3fa4 h LEU 177 Ca 0.28 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fa4 h LEU 177 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3fa4 h LEU 177 CO -0.41 1.00 0.30 0.03 0.09 0.00 0.00 178.44 179.45 3fa4 h ARG 178 N 1.07 0.60 -0.34 1.13 3.08 -1.08 0.31 114.38 119.16 3fa4 h ARG 178 Ca 0.23 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3fa4 h ARG 178 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3fa4 h ARG 178 CO -0.00 0.39 0.03 0.00 -1.07 0.00 0.00 179.97 179.32 3fa4 h ALA 179 N 1.18 1.43 -0.23 0.04 0.00 -1.11 0.38 119.26 120.96 3fa4 h ALA 179 Ca 0.17 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3fa4 h ALA 179 Cb -0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3fa4 h ALA 179 CO -0.05 0.41 -0.26 0.00 0.00 0.00 0.00 179.25 179.34 3fa4 h ALA 180 N 1.55 0.35 -0.92 0.00 0.00 -1.08 -2.34 119.26 116.81 3fa4 h ALA 180 Ca 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3fa4 h ALA 180 Cb 0.27 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3fa4 h ALA 180 CO 0.00 0.34 0.61 -0.09 0.00 0.00 0.00 179.25 180.11 3fa4 h ARG 181 N 0.29 1.21 0.00 0.00 2.43 0.19 -1.58 114.38 116.92 3fa4 h ARG 181 Ca 0.03 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3fa4 h ARG 181 Cb 0.83 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3fa4 h ARG 181 CO 0.06 0.80 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.86 3fa4 h ASP 182 N 1.25 0.00 -0.17 -3.80 5.19 -0.16 -2.64 116.42 116.08 3fa4 h ASP 182 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3fa4 h ASP 182 Cb -0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.38 3fa4 h ASP 182 CO -0.08 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.07 3fa4 n ALA 183 N -2.11 2.48 0.00 3.45 0.00 -0.66 -4.94 120.51 118.74 3fa4 n ALA 183 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.74 3fa4 n ALA 183 Cb 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3fa4 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 184 N 1.32 1.14 3.78 0.00 0.00 -0.99 -4.56 105.19 105.88 3fa4 n GLY 184 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3fa4 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 s ALA 185 N -2.00 2.83 -0.03 4.61 0.00 -0.84 -4.91 121.76 121.41 3fa4 s ALA 185 Ca 0.00 0.83 0.13 0.00 0.00 0.00 0.00 51.96 52.92 3fa4 s ALA 185 Cb 0.00 -3.35 -0.20 0.00 0.00 0.00 0.00 23.12 19.57 3fa4 s ALA 185 CO 0.00 -0.65 0.82 -0.44 0.00 0.00 0.00 175.76 175.49 3fa4 h ASP 186 N 1.61 0.00 -4.35 0.00 3.32 -0.23 -3.43 116.42 113.34 3fa4 h ASP 186 Ca -0.50 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.32 3fa4 h ASP 186 Cb 1.25 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.55 3fa4 h ASP 186 CO 0.59 0.91 -0.72 -0.69 -1.72 0.00 0.00 179.24 177.60 3fa4 s VAL 187 N -2.69 0.21 0.25 -1.35 1.01 -1.00 -4.38 120.40 112.44 3fa4 s VAL 187 Ca -0.03 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.48 3fa4 s VAL 187 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 3fa4 s VAL 187 CO 0.82 -0.21 0.32 -0.83 0.00 0.00 0.00 175.10 175.20 3fa4 s GLY 188 N -0.77 1.28 -0.33 4.51 0.00 0.13 0.13 107.32 112.27 3fa4 s GLY 188 Ca -0.07 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 43.42 3fa4 s GLY 188 CO -0.00 -1.31 0.57 -0.12 0.00 0.00 0.00 173.10 172.23 3fa4 s PHE 189 N -2.03 -1.64 -0.41 1.90 5.99 -0.22 -1.18 117.98 120.38 3fa4 s PHE 189 Ca 0.34 0.67 -0.21 0.00 0.00 0.00 0.00 56.93 57.73 3fa4 s PHE 189 Cb -0.09 0.22 0.02 0.00 0.00 0.00 0.00 43.02 43.17 3fa4 s PHE 189 CO 0.28 -1.09 0.69 -1.17 -0.00 0.00 0.00 175.22 173.93 3fa4 s LEU 190 N 2.46 4.34 0.29 6.12 1.98 -1.26 -1.63 118.68 130.97 3fa4 s LEU 190 Ca 0.12 -0.09 -0.28 0.00 -2.89 0.00 0.00 54.13 50.99 3fa4 s LEU 190 Cb -0.09 -2.83 -0.09 0.00 0.66 0.00 0.00 46.19 43.83 3fa4 s LEU 190 CO -0.20 -0.76 0.98 -0.70 -1.89 0.00 0.00 176.35 173.77 3fa4 s GLU 191 N 2.94 4.66 -1.04 1.98 2.56 -0.85 -4.19 118.70 124.76 3fa4 s GLU 191 Ca 0.26 1.50 0.00 0.00 0.00 0.00 0.00 54.97 56.73 3fa4 s GLU 191 Cb -0.14 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 32.96 3fa4 s GLU 191 CO 0.19 0.32 0.00 0.41 -0.56 0.00 0.00 175.26 175.62 3fa4 n GLY 192 N 1.03 0.01 3.43 -1.50 0.00 -1.26 -4.73 105.19 102.16 3fa4 n GLY 192 Ca 0.00 -0.40 -0.51 0.00 0.00 0.00 0.00 46.02 45.11 3fa4 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa4 n ILE 193 N -3.89 1.36 0.55 -0.61 5.41 -1.26 -4.63 119.36 116.30 3fa4 n ILE 193 Ca -0.14 -0.34 0.06 0.00 1.00 0.00 0.00 62.75 63.33 3fa4 n ILE 193 Cb 0.59 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.44 3fa4 n ILE 193 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3fa4 n THR 194 N 0.48 0.00 -3.75 1.39 -2.24 -1.26 -3.04 114.28 105.86 3fa4 n THR 194 Ca 0.19 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 3fa4 n THR 194 Cb 0.20 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.30 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fa4 s SER 195 N -2.27 -0.14 0.27 3.42 1.04 -1.26 -4.65 113.70 110.10 3fa4 s SER 195 Ca 0.04 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3fa4 s SER 195 Cb 0.09 0.36 0.56 0.00 0.10 0.00 0.00 66.02 67.13 3fa4 s SER 195 CO 0.52 -0.62 1.79 0.03 0.98 0.00 0.00 173.24 175.94 3fa4 h ARG 196 N 3.20 0.76 -0.27 4.02 3.08 -1.96 -2.43 114.38 120.78 3fa4 h ARG 196 Ca -0.32 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 59.75 3fa4 h ARG 196 Cb 1.20 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.01 3fa4 h ARG 196 CO 0.46 0.50 -0.16 0.93 -1.07 0.00 0.00 179.97 180.63 3fa4 h GLU 197 N 0.78 -0.13 -0.21 0.04 4.39 -1.98 -0.69 114.58 116.78 3fa4 h GLU 197 Ca 0.48 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.18 3fa4 h GLU 197 Cb 0.61 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3fa4 h GLU 197 CO -0.32 -0.09 0.08 1.98 -1.16 0.00 0.00 179.01 179.50 3fa4 h MET 198 N -0.13 0.33 -0.85 2.33 4.05 -1.96 -0.59 114.93 118.09 3fa4 h MET 198 Ca 0.14 -0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.61 3fa4 h MET 198 Cb 0.35 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.02 3fa4 h MET 198 CO -0.35 0.40 0.48 0.00 0.23 0.00 0.00 176.91 177.67 3fa4 h ALA 199 N 0.91 1.25 -0.45 0.39 0.00 -1.10 0.18 119.26 120.43 3fa4 h ALA 199 Ca 0.07 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3fa4 h ALA 199 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3fa4 h ALA 199 CO -0.00 0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.34 3fa4 h ARG 200 N 0.76 0.70 -0.11 0.00 3.08 -0.98 -3.31 114.38 114.53 3fa4 h ARG 200 Ca 0.43 -0.16 -0.23 0.00 0.07 0.00 0.00 59.98 60.09 3fa4 h ARG 200 Cb 0.47 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.43 3fa4 h ARG 200 CO -0.28 0.69 -0.83 0.37 -1.07 0.00 0.00 179.97 178.84 3fa4 h GLN 201 N 0.67 0.70 -0.19 0.04 5.75 0.91 -3.23 115.11 119.77 3fa4 h GLN 201 Ca 0.14 -0.61 -0.04 0.00 -0.15 0.00 0.00 58.65 57.99 3fa4 h GLN 201 Cb 0.36 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 3fa4 h GLN 201 CO 0.01 1.22 -0.06 -0.39 -2.65 0.00 0.00 178.83 176.96 3fa4 h VAL 202 N 0.46 1.16 -0.33 2.39 -1.51 -1.14 0.32 116.25 117.59 3fa4 h VAL 202 Ca -0.07 -0.64 -0.09 0.00 -1.23 0.00 0.00 66.70 64.67 3fa4 h VAL 202 Cb 1.46 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 3fa4 h VAL 202 CO 0.16 0.21 -0.13 0.40 -1.23 0.00 0.00 177.57 176.98 3fa4 h ILE 203 N 0.28 1.29 -0.51 7.19 5.03 -1.67 -1.39 117.51 127.72 3fa4 h ILE 203 Ca 0.06 -1.22 -0.09 0.00 -0.12 0.00 0.00 64.86 63.49 3fa4 h ILE 203 Cb 0.28 1.39 -0.02 0.00 -3.03 0.00 0.00 36.82 35.44 3fa4 h ILE 203 CO 0.01 0.40 -0.06 1.56 -0.68 0.00 0.00 178.15 179.38 3fa4 h GLN 204 N 0.44 0.90 0.00 2.37 4.20 -1.46 -1.39 115.11 120.17 3fa4 h GLN 204 Ca 0.08 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3fa4 h GLN 204 Cb 0.65 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3fa4 h GLN 204 CO 0.04 0.93 0.00 -0.44 -0.67 0.00 0.00 178.83 178.69 3fa4 h ASP 205 N 0.82 0.00 -0.62 1.46 3.32 -0.76 -3.08 116.42 117.57 3fa4 h ASP 205 Ca 0.14 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.75 3fa4 h ASP 205 Cb 0.57 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.74 3fa4 h ASP 205 CO 0.03 0.00 -0.81 0.18 -1.72 0.00 0.00 179.24 176.92 3fa4 n LEU 206 N -2.55 4.27 -4.61 1.55 4.77 -0.54 -5.07 117.00 114.83 3fa4 n LEU 206 Ca 0.04 -4.44 -0.51 0.00 -0.03 0.00 0.00 56.01 51.07 3fa4 n LEU 206 Cb 0.42 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3fa4 n LEU 206 CO 0.30 1.90 0.99 0.00 -1.33 0.00 0.00 177.39 179.24 3fa4 n ALA 207 N -0.73 -0.47 -0.07 -1.18 0.00 -0.54 -1.73 120.51 115.80 3fa4 n ALA 207 Ca 0.37 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.30 3fa4 n ALA 207 Cb 0.92 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3fa4 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 208 N 2.80 1.46 3.58 0.00 0.00 -1.26 -5.01 105.19 106.76 3fa4 n GLY 208 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3fa4 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa4 s TRP 209 N -2.59 3.17 0.21 1.61 -0.00 -0.71 -5.09 118.94 115.55 3fa4 s TRP 209 Ca 0.00 -0.07 -0.30 0.00 -0.00 0.00 0.00 56.10 55.73 3fa4 s TRP 209 Cb 0.00 -2.06 -0.09 0.00 -0.00 0.00 0.00 33.47 31.32 3fa4 s TRP 209 CO 0.00 0.06 1.29 -2.14 -0.00 0.00 0.00 176.95 176.16 3fa4 s PRO 210 N 0.47 4.40 0.21 5.86 0.02 -1.26 -4.87 135.00 139.83 3fa4 s PRO 210 Ca 0.01 2.04 0.11 0.00 0.02 0.00 0.00 61.00 63.19 3fa4 s PRO 210 Cb -0.13 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 3fa4 s PRO 210 CO 0.01 -0.22 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.73 3fa4 s LEU 211 N -0.29 2.47 -0.04 -5.54 1.43 -1.26 -0.69 118.68 114.76 3fa4 s LEU 211 Ca 0.55 -0.90 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 3fa4 s LEU 211 Cb -0.36 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 3fa4 s LEU 211 CO 0.39 0.09 -0.20 -0.22 0.23 0.00 0.00 176.35 176.64 3fa4 s LEU 212 N -2.86 2.40 -0.26 1.79 0.20 -0.32 -0.30 118.68 119.33 3fa4 s LEU 212 Ca 0.22 -0.34 -0.06 0.00 0.69 0.00 0.00 54.13 54.64 3fa4 s LEU 212 Cb -0.07 -1.45 -0.01 0.00 -0.43 0.00 0.00 46.19 44.23 3fa4 s LEU 212 CO 0.11 0.32 0.05 -0.22 -0.29 0.00 0.00 176.35 176.32 3fa4 s LEU 213 N -0.61 3.44 -0.57 -0.68 1.98 -0.09 -4.46 118.68 117.69 3fa4 s LEU 213 Ca 0.09 -0.41 -0.21 0.00 -2.89 0.00 0.00 54.13 50.70 3fa4 s LEU 213 Cb -0.11 -1.87 0.06 0.00 0.66 0.00 0.00 46.19 44.94 3fa4 s LEU 213 CO 0.00 -0.08 0.81 0.21 -1.89 0.00 0.00 176.35 175.40 3fa4 s ASN 214 N 1.55 6.24 -1.02 3.68 2.47 -1.26 -1.79 114.94 124.80 3fa4 s ASN 214 Ca 0.05 -0.83 -0.07 0.00 0.42 0.00 0.00 52.86 52.43 3fa4 s ASN 214 Cb -0.16 -2.37 0.26 0.00 -1.45 0.00 0.00 41.25 37.53 3fa4 s ASN 214 CO 0.02 -1.15 0.98 -0.32 -3.72 0.00 0.00 177.10 172.91 3fa4 s MET 215 N 3.37 3.88 -0.37 0.43 -2.45 -0.00 -4.87 119.30 119.29 3fa4 s MET 215 Ca 0.21 -3.16 -0.16 0.00 -1.25 0.00 0.00 55.69 51.33 3fa4 s MET 215 Cb -0.17 -4.37 0.00 0.00 1.25 0.00 0.00 34.83 31.53 3fa4 s MET 215 CO 0.13 -1.25 0.38 0.08 1.05 0.00 0.00 175.02 175.41 3fa4 s VAL 216 N -1.14 5.15 0.91 10.11 1.01 -1.26 -4.31 120.40 130.87 3fa4 s VAL 216 Ca 0.28 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 3fa4 s VAL 216 Cb -0.10 -3.90 0.14 0.00 0.00 0.00 0.00 36.38 32.53 3fa4 s VAL 216 CO -0.09 -0.21 1.10 -1.61 0.00 0.00 0.00 175.10 174.29 3fa4 s GLU 217 N 2.02 1.14 0.00 2.72 2.02 -1.26 -3.68 118.70 121.66 3fa4 s GLU 217 Ca 0.11 1.15 0.00 0.00 0.02 0.00 0.00 54.97 56.25 3fa4 s GLU 217 Cb -0.17 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.29 3fa4 s GLU 217 CO 0.12 -2.41 0.00 0.72 0.02 0.00 0.00 175.26 173.71 3fa4 n HIS 218 N -4.04 0.00 -0.49 1.61 8.25 -1.26 -4.96 115.22 114.33 3fa4 n HIS 218 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3fa4 n HIS 218 Cb 0.53 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 30.48 3fa4 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa4 n GLY 219 N -1.06 1.68 0.27 -1.41 0.00 -1.24 -5.01 105.19 98.42 3fa4 n GLY 219 Ca 0.00 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.30 3fa4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 h ALA 220 N -1.22 1.63 -3.00 4.61 0.00 -1.88 -3.45 119.26 115.94 3fa4 h ALA 220 Ca 0.00 -0.12 -0.58 0.00 0.00 0.00 0.00 54.91 54.21 3fa4 h ALA 220 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 3fa4 h ALA 220 CO 0.00 0.28 -0.23 0.99 0.00 0.00 0.00 179.25 180.30 3fa4 s THR 221 N -5.04 5.24 1.06 0.00 2.01 -1.17 -4.44 115.64 113.30 3fa4 s THR 221 Ca -0.06 0.76 -0.12 0.00 0.31 0.00 0.00 61.69 62.58 3fa4 s THR 221 Cb 0.16 -3.73 0.23 0.00 0.01 0.00 0.00 72.50 69.17 3fa4 s THR 221 CO 0.73 0.35 1.08 -2.84 -0.69 0.00 0.00 174.62 173.24 3fa4 s PRO 222 N 0.58 -0.12 -0.50 4.92 0.02 -1.26 -4.55 135.00 134.08 3fa4 s PRO 222 Ca 0.21 1.14 -0.28 0.00 0.02 0.00 0.00 61.00 62.09 3fa4 s PRO 222 Cb -0.14 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.76 3fa4 s PRO 222 CO 0.07 -3.28 1.52 -1.12 -0.33 0.00 0.00 177.00 173.86 3fa4 s SER 223 N -2.58 6.05 -0.23 2.53 0.01 -1.26 -4.98 113.70 113.23 3fa4 s SER 223 Ca 0.68 0.56 -0.04 0.00 1.31 0.00 0.00 55.95 58.46 3fa4 s SER 223 Cb -0.24 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.45 3fa4 s SER 223 CO 0.62 -1.72 -0.03 -0.63 0.41 0.00 0.00 173.24 171.89 3fa4 s ILE 224 N 6.37 3.38 0.74 1.44 1.01 -1.26 -5.12 121.20 127.76 3fa4 s ILE 224 Ca 0.60 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 3fa4 s ILE 224 Cb -0.13 -2.58 0.05 0.00 0.01 0.00 0.00 42.46 39.81 3fa4 s ILE 224 CO 0.28 0.36 1.09 -0.94 0.00 0.00 0.00 174.94 175.72 3fa4 s SER 225 N 1.46 4.90 0.34 3.58 1.04 -1.26 -4.84 113.70 118.93 3fa4 s SER 225 Ca 0.05 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.27 3fa4 s SER 225 Cb -0.15 -1.41 0.63 0.00 0.10 0.00 0.00 66.02 65.19 3fa4 s SER 225 CO -0.03 -1.62 1.98 0.00 0.98 0.00 0.00 173.24 174.55 3fa4 h ALA 226 N -0.76 1.58 -0.26 5.32 0.00 -1.99 -1.02 119.26 122.12 3fa4 h ALA 226 Ca -0.45 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 3fa4 h ALA 226 Cb 1.30 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3fa4 h ALA 226 CO 0.63 0.35 -0.53 0.00 0.00 0.00 0.00 179.25 179.70 3fa4 h ALA 227 N 1.58 0.55 -0.30 0.00 0.00 -1.99 -2.37 119.26 116.72 3fa4 h ALA 227 Ca 0.28 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3fa4 h ALA 227 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fa4 h ALA 227 CO -0.08 0.68 -0.12 1.49 0.00 0.00 0.00 179.25 181.22 3fa4 h GLU 228 N 0.60 0.62 -0.81 0.00 4.81 -1.86 -2.48 114.58 115.46 3fa4 h GLU 228 Ca 0.02 -0.26 0.14 0.00 -0.13 0.00 0.00 59.36 59.12 3fa4 h GLU 228 Cb 1.12 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 3fa4 h GLU 228 CO 0.11 0.84 0.53 0.00 -0.73 0.00 0.00 179.01 179.76 3fa4 h ALA 229 N 0.77 1.93 0.14 2.92 0.00 -1.15 -0.73 119.26 123.14 3fa4 h ALA 229 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 3fa4 h ALA 229 Cb 0.64 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fa4 h ALA 229 CO 0.04 -0.14 -0.93 -0.22 0.00 0.00 0.00 179.25 178.00 3fa4 h LYS 230 N 0.58 0.39 -0.55 0.00 3.64 -1.37 -2.17 116.57 117.10 3fa4 h LYS 230 Ca 0.40 -0.60 0.11 0.00 -1.27 0.00 0.00 60.65 59.29 3fa4 h LYS 230 Cb 0.72 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 32.65 3fa4 h LYS 230 CO -0.16 1.27 -0.09 0.93 -2.27 0.00 0.00 179.45 179.14 3fa4 h GLU 231 N -0.19 0.04 -0.46 1.90 4.39 -1.30 -1.98 114.58 116.99 3fa4 h GLU 231 Ca -0.16 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.64 3fa4 h GLU 231 Cb 1.71 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 3fa4 h GLU 231 CO 0.18 0.02 0.32 0.52 -1.16 0.00 0.00 179.01 178.89 3fa4 h MET 232 N 0.04 0.17 0.00 2.33 2.86 -1.02 -3.46 114.93 115.85 3fa4 h MET 232 Ca 0.27 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3fa4 h MET 232 Cb 0.42 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3fa4 h MET 232 CO -0.53 0.12 0.00 0.41 1.06 0.00 0.00 176.91 177.97 3fa4 n GLY 233 N -1.57 1.22 3.75 8.32 0.00 -0.74 -4.91 105.19 111.25 3fa4 n GLY 233 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3fa4 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa4 s PHE 234 N -2.00 2.36 -0.17 1.61 0.40 -0.84 -4.73 117.98 114.60 3fa4 s PHE 234 Ca 0.00 1.60 0.10 0.00 -0.60 0.00 0.00 56.93 58.03 3fa4 s PHE 234 Cb 0.00 -3.23 -0.14 0.00 0.51 0.00 0.00 43.02 40.16 3fa4 s PHE 234 CO 0.00 -2.06 0.30 0.54 0.70 0.00 0.00 175.22 174.69 3fa4 n ARG 235 N -3.00 1.50 -3.83 0.44 5.12 0.59 -4.64 116.66 112.83 3fa4 n ARG 235 Ca 0.11 -0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 55.83 3fa4 n ARG 235 Cb 0.52 -1.15 -0.15 0.00 -1.16 0.00 0.00 32.46 30.52 3fa4 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa4 s ILE 236 N -2.45 -0.02 -0.08 0.55 1.01 -1.14 -0.11 121.20 118.96 3fa4 s ILE 236 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.77 3fa4 s ILE 236 Cb 0.07 -0.04 -0.00 0.00 0.01 0.00 0.00 42.46 42.50 3fa4 s ILE 236 CO 0.42 0.04 -0.22 -0.51 0.00 0.00 0.00 174.94 174.67 3fa4 s ILE 237 N 0.43 1.87 0.00 2.92 2.07 -0.31 -0.92 121.20 127.28 3fa4 s ILE 237 Ca -0.04 -0.93 0.06 0.00 -1.41 0.00 0.00 60.65 58.34 3fa4 s ILE 237 Cb -0.05 -1.62 -0.03 0.00 0.13 0.00 0.00 42.46 40.89 3fa4 s ILE 237 CO -0.01 0.52 -0.19 0.27 -1.91 0.00 0.00 174.94 173.62 3fa4 s ILE 238 N 0.22 2.69 -0.72 2.00 -4.36 -0.74 -1.22 121.20 119.08 3fa4 s ILE 238 Ca -0.13 -1.05 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 3fa4 s ILE 238 Cb -0.16 -2.07 0.20 0.00 1.25 0.00 0.00 42.46 41.68 3fa4 s ILE 238 CO 0.06 0.46 0.63 0.49 0.24 0.00 0.00 174.94 176.82 3fa4 n PHE 239 N 1.96 3.47 -0.37 1.37 3.01 -0.83 -0.82 117.46 125.24 3fa4 n PHE 239 Ca -0.16 -4.22 0.38 0.00 1.01 0.00 0.00 57.45 54.46 3fa4 n PHE 239 Cb 0.52 -0.67 0.73 0.00 -0.01 0.00 0.00 39.48 40.05 3fa4 n PHE 239 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3fa4 h PRO 240 N 5.07 0.00 -0.22 -1.08 0.11 -1.85 0.22 132.00 134.24 3fa4 h PRO 240 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3fa4 h PRO 240 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3fa4 h PRO 240 CO 0.78 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.76 3fa4 n PHE 241 N -3.93 0.31 0.22 0.65 0.99 -1.26 -4.37 117.46 110.07 3fa4 n PHE 241 Ca 0.28 -0.53 0.14 0.00 -0.00 0.00 0.00 57.45 57.35 3fa4 n PHE 241 Cb 1.43 -0.05 0.73 0.00 -1.00 0.00 0.00 39.48 40.60 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3fa4 h ALA 242 N 1.28 1.04 0.00 4.37 0.00 -1.56 -2.88 119.26 121.51 3fa4 h ALA 242 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fa4 h ALA 242 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3fa4 h ALA 242 CO 0.01 -0.04 -0.96 0.00 0.00 0.00 0.00 179.25 178.26 3fa4 n ALA 243 N -1.83 2.40 -0.33 0.00 0.00 -1.25 -4.71 120.51 114.79 3fa4 n ALA 243 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 3fa4 n ALA 243 Cb 0.10 0.48 0.15 0.00 0.00 0.00 0.00 19.45 20.18 3fa4 n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fa4 h LEU 244 N 0.00 0.90 0.65 0.00 3.38 -1.84 -1.36 115.31 117.04 3fa4 h LEU 244 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3fa4 h LEU 244 Cb 0.96 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3fa4 h LEU 244 CO 0.00 0.57 -0.31 1.23 0.09 0.00 0.00 178.44 180.02 3fa4 h GLY 245 N 1.04 -0.90 -0.00 0.83 0.00 -1.81 -1.85 103.07 100.37 3fa4 h GLY 245 Ca 0.39 0.34 0.18 0.00 0.00 0.00 0.00 47.33 48.24 3fa4 h GLY 245 CO -0.17 -0.33 0.35 -2.55 0.00 0.00 0.00 176.54 173.84 3fa4 h PRO 246 N -1.08 0.43 -0.05 4.80 0.11 -1.79 -1.75 132.00 132.68 3fa4 h PRO 246 Ca -0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3fa4 h PRO 246 Cb 0.71 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 3fa4 h PRO 246 CO 0.15 0.29 -0.00 0.00 -0.21 0.00 0.00 178.00 178.22 3fa4 h ALA 247 N 1.62 0.07 0.06 -0.75 0.00 -1.26 -2.64 119.26 116.35 3fa4 h ALA 247 Ca 0.48 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3fa4 h ALA 247 Cb 0.81 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3fa4 h ALA 247 CO -0.46 -0.26 -0.16 0.28 0.00 0.00 0.00 179.25 178.66 3fa4 h VAL 248 N -0.21 0.63 -0.58 0.00 2.07 -1.20 -0.91 116.25 116.06 3fa4 h VAL 248 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 3fa4 h VAL 248 Cb 0.33 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 3fa4 h VAL 248 CO 0.00 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.72 3fa4 h ALA 249 N 0.60 0.68 -0.32 1.67 0.00 -1.34 -2.10 119.26 118.45 3fa4 h ALA 249 Ca 0.03 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3fa4 h ALA 249 Cb 0.32 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fa4 h ALA 249 CO -0.11 -0.30 -0.15 0.00 0.00 0.00 0.00 179.25 178.69 3fa4 h ALA 250 N 1.45 0.45 0.00 0.00 0.00 -1.31 -2.19 119.26 117.66 3fa4 h ALA 250 Ca 0.30 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3fa4 h ALA 250 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fa4 h ALA 250 CO -0.38 0.36 -0.35 0.52 0.00 0.00 0.00 179.25 179.40 3fa4 h MET 251 N 0.44 0.00 0.24 0.00 2.86 -1.09 -0.65 114.93 116.74 3fa4 h MET 251 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3fa4 h MET 251 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3fa4 h MET 251 CO 0.05 0.35 -0.12 -0.09 1.06 0.00 0.00 176.91 178.16 3fa4 h ARG 252 N 0.00 -0.32 -1.00 1.72 2.43 -1.35 -1.24 114.38 114.63 3fa4 h ARG 252 Ca -0.00 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.32 3fa4 h ARG 252 Cb 0.81 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.34 3fa4 h ARG 252 CO 0.05 0.05 0.62 0.93 -1.51 0.00 0.00 179.97 180.11 3fa4 h GLU 253 N -0.83 0.91 0.01 0.20 5.08 -1.42 -2.32 114.58 116.21 3fa4 h GLU 253 Ca -0.03 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.08 3fa4 h GLU 253 Cb 0.51 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3fa4 h GLU 253 CO 0.05 0.60 -0.89 0.00 -1.00 0.00 0.00 179.01 177.78 3fa4 h ALA 254 N 1.56 0.53 0.00 3.43 0.00 -1.15 -2.35 119.26 121.28 3fa4 h ALA 254 Ca 0.51 -0.78 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3fa4 h ALA 254 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3fa4 h ALA 254 CO -0.29 1.03 -0.51 0.52 0.00 0.00 0.00 179.25 180.00 3fa4 h MET 255 N 0.04 0.00 0.03 0.00 2.86 -1.16 -2.55 114.93 114.14 3fa4 h MET 255 Ca -0.03 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.35 3fa4 h MET 255 Cb 1.55 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.23 3fa4 h MET 255 CO 0.12 0.51 -1.03 0.93 1.06 0.00 0.00 176.91 178.50 3fa4 h GLU 256 N 0.00 0.65 -0.02 1.72 5.08 -1.39 -1.32 114.58 119.31 3fa4 h GLU 256 Ca -0.01 -0.74 0.03 0.00 -1.00 0.00 0.00 59.36 57.65 3fa4 h GLU 256 Cb 1.09 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 3fa4 h GLU 256 CO 0.07 1.31 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.96 3fa4 h LYS 257 N 0.30 -0.31 -0.97 2.33 3.64 -1.47 -2.52 116.57 117.58 3fa4 h LYS 257 Ca -0.14 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.35 3fa4 h LYS 257 Cb 1.70 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.52 3fa4 h LYS 257 CO 0.20 -0.21 0.61 1.25 -2.27 0.00 0.00 179.45 179.03 3fa4 h LEU 258 N -0.32 0.94 -0.85 5.20 5.85 -1.46 -1.49 115.31 123.17 3fa4 h LEU 258 Ca 0.07 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3fa4 h LEU 258 Cb 0.41 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3fa4 h LEU 258 CO -0.21 0.56 0.33 0.50 -0.34 0.00 0.00 178.44 179.28 3fa4 h LYS 259 N 1.05 1.17 0.04 1.25 1.63 -1.08 0.31 116.57 120.94 3fa4 h LYS 259 Ca 0.45 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 3fa4 h LYS 259 Cb 0.30 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3fa4 h LYS 259 CO -0.21 0.93 -0.02 0.07 -3.45 0.00 0.00 179.45 176.77 3fa4 h ARG 260 N 1.14 -0.05 0.00 1.90 0.11 -1.08 -3.38 114.38 113.02 3fa4 h ARG 260 Ca 0.27 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.16 3fa4 h ARG 260 Cb 0.19 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.25 3fa4 h ARG 260 CO -0.02 0.58 -1.04 -0.44 0.10 0.00 0.00 179.97 179.15 3fa4 h ASP 261 N -0.90 0.00 0.00 0.08 3.32 -1.38 -3.48 116.42 114.06 3fa4 h ASP 261 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fa4 h ASP 261 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3fa4 h ASP 261 CO 0.01 0.79 0.00 0.61 -1.72 0.00 0.00 179.24 178.93 3fa4 n GLY 262 N 1.36 0.67 3.08 2.75 0.00 0.10 -5.00 105.19 108.15 3fa4 n GLY 262 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3fa4 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa4 s ILE 263 N -2.53 -0.01 0.55 -0.61 1.10 -1.26 -5.05 121.20 113.40 3fa4 s ILE 263 Ca 0.00 0.03 0.26 0.00 -0.51 0.00 0.00 60.65 60.43 3fa4 s ILE 263 Cb 0.00 -0.31 0.37 0.00 0.15 0.00 0.00 42.46 42.67 3fa4 s ILE 263 CO 0.00 0.01 2.03 -0.65 -2.11 0.00 0.00 174.94 174.23 3fa4 h PRO 264 N 6.12 0.00 -6.55 3.50 0.11 -1.91 -3.39 132.00 129.88 3fa4 h PRO 264 Ca -0.29 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.31 3fa4 h PRO 264 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3fa4 h PRO 264 CO 0.38 0.00 -0.91 0.41 -0.21 0.00 0.00 178.00 177.66 3fa4 n GLY 265 N -1.55 -0.38 3.84 -0.55 0.00 -1.26 -4.69 105.19 100.60 3fa4 n GLY 265 Ca 0.06 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 3fa4 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa4 s LEU 266 N -6.96 3.84 0.42 0.99 1.43 -1.26 -5.03 118.68 112.10 3fa4 s LEU 266 Ca 0.12 1.47 -0.26 0.00 -1.03 0.00 0.00 54.13 54.43 3fa4 s LEU 266 Cb -0.05 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 3fa4 s LEU 266 CO 0.90 -0.41 1.34 -1.81 0.23 0.00 0.00 176.35 176.61 3fa4 s ASP 267 N -2.66 6.20 0.00 2.29 1.01 -1.26 -4.78 116.67 117.47 3fa4 s ASP 267 Ca 0.58 2.74 0.00 0.00 0.71 0.00 0.00 52.55 56.58 3fa4 s ASP 267 Cb -0.10 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3fa4 s ASP 267 CO 0.23 -0.93 0.36 2.29 0.21 0.00 0.00 175.17 177.33 3fa4 n LYS 268 N 0.06 0.00 -0.04 8.23 2.85 -1.26 -0.36 118.16 127.64 3fa4 n LYS 268 Ca 0.04 0.06 -0.01 0.00 -1.05 0.00 0.00 58.31 57.36 3fa4 n LYS 268 Cb 0.43 -1.66 -0.15 0.00 -0.65 0.00 0.00 35.03 33.00 3fa4 n LYS 268 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3fa4 n GLU 269 N -0.86 0.67 -2.91 -1.58 0.00 -1.26 -4.71 120.64 109.97 3fa4 n GLU 269 Ca 0.00 -0.03 -0.44 0.00 0.00 0.00 0.00 57.16 56.69 3fa4 n GLU 269 Cb 0.16 -1.58 -0.02 0.00 0.00 0.00 0.00 31.44 30.00 3fa4 n GLU 269 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 3fa4 s MET 270 N -2.94 3.67 0.15 3.44 -1.94 0.51 -4.70 119.30 117.49 3fa4 s MET 270 Ca -0.08 -1.85 0.06 0.00 -1.71 0.00 0.00 55.69 52.11 3fa4 s MET 270 Cb 0.09 -4.96 -0.04 0.00 2.01 0.00 0.00 34.83 31.94 3fa4 s MET 270 CO 0.85 -1.79 -0.14 0.95 -0.01 0.00 0.00 175.02 174.88 3fa4 s THR 271 N 2.62 1.43 0.20 2.05 -4.23 -1.26 -4.86 115.64 111.60 3fa4 s THR 271 Ca 0.35 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 3fa4 s THR 271 Cb -0.04 -1.71 0.16 0.00 1.34 0.00 0.00 72.50 72.25 3fa4 s THR 271 CO -0.08 -0.49 1.70 -0.65 -0.54 0.00 0.00 174.62 174.56 3fa4 h PRO 272 N 3.20 0.21 -0.85 3.99 0.11 -2.00 -1.37 132.00 135.29 3fa4 h PRO 272 Ca -0.39 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.92 3fa4 h PRO 272 Cb 1.20 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.11 3fa4 h PRO 272 CO 0.55 0.14 0.06 1.96 -0.21 0.00 0.00 178.00 180.50 3fa4 h GLN 273 N 0.22 0.10 -0.57 1.05 1.08 -1.97 0.11 115.11 115.13 3fa4 h GLN 273 Ca 0.30 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.57 3fa4 h GLN 273 Cb 0.45 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.79 3fa4 h GLN 273 CO -0.41 0.06 0.22 1.98 -0.95 0.00 0.00 178.83 179.74 3fa4 h MET 274 N 0.10 0.40 0.43 1.46 4.05 -1.54 0.72 114.93 120.56 3fa4 h MET 274 Ca 0.50 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.87 3fa4 h MET 274 Cb 0.95 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 3fa4 h MET 274 CO -0.74 0.27 -0.22 1.25 0.23 0.00 0.00 176.91 177.70 3fa4 h LEU 275 N 0.42 -0.52 -0.34 3.39 5.85 -0.46 -1.10 115.31 122.55 3fa4 h LEU 275 Ca 0.28 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.08 3fa4 h LEU 275 Cb 0.31 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3fa4 h LEU 275 CO -0.27 -0.36 0.03 -0.26 -0.34 0.00 0.00 178.44 177.25 3fa4 h PHE 276 N -0.59 0.05 -0.53 1.25 0.05 -1.05 0.75 116.94 116.87 3fa4 h PHE 276 Ca -0.06 0.02 0.11 0.00 3.82 0.00 0.00 57.97 61.86 3fa4 h PHE 276 Cb 0.46 0.03 -0.10 0.00 2.00 0.00 0.00 35.95 38.34 3fa4 h PHE 276 CO -0.06 -0.02 -0.09 0.00 -0.18 0.00 0.00 178.31 177.97 3fa4 h ARG 277 N 0.14 0.04 -0.84 1.51 3.08 -0.77 -0.61 114.38 116.92 3fa4 h ARG 277 Ca 0.16 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.30 3fa4 h ARG 277 Cb 0.20 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 3fa4 h ARG 277 CO -0.24 0.02 0.55 0.28 -1.07 0.00 0.00 179.97 179.51 3fa4 h VAL 278 N 0.04 0.97 -0.40 2.04 2.07 0.05 -2.39 116.25 118.63 3fa4 h VAL 278 Ca 0.26 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3fa4 h VAL 278 Cb 0.40 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3fa4 h VAL 278 CO -0.51 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.28 3fa4 n GLY 280 N 0.27 0.35 0.27 0.00 0.00 -0.81 -4.96 105.19 100.32 3fa4 n GLY 280 Ca 0.20 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 3fa4 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa4 h LEU 281 N -0.26 -0.76 -1.15 0.99 5.85 -1.29 -1.89 115.31 116.80 3fa4 h LEU 281 Ca -0.12 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3fa4 h LEU 281 Cb 1.09 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 42.49 3fa4 h LEU 281 CO 0.13 -0.24 0.59 0.44 -0.34 0.00 0.00 178.44 179.02 3fa4 h ASP 282 N -0.07 0.88 0.27 1.25 3.32 -1.86 -0.88 116.42 119.33 3fa4 h ASP 282 Ca 0.27 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 3fa4 h ASP 282 Cb 0.49 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3fa4 h ASP 282 CO -0.63 0.54 -0.64 -0.08 -1.72 0.00 0.00 179.24 176.72 3fa4 h GLU 283 N 0.98 0.35 -0.21 3.56 4.57 -1.88 -1.97 114.58 119.99 3fa4 h GLU 283 Ca 0.40 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 3fa4 h GLU 283 Cb 0.28 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3fa4 h GLU 283 CO -0.16 0.87 -0.14 0.77 -1.18 0.00 0.00 179.01 179.16 3fa4 h SER 284 N 0.25 0.33 0.85 1.04 0.02 -0.52 -2.29 113.55 113.23 3fa4 h SER 284 Ca -0.01 -0.08 -0.23 0.00 -0.84 0.00 0.00 61.79 60.63 3fa4 h SER 284 Cb 1.17 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 3fa4 h SER 284 CO 0.11 0.50 -1.08 0.24 -1.14 0.00 0.00 176.83 175.46 3fa4 h MET 285 N 0.32 0.10 -0.19 3.45 2.86 -1.13 -2.77 114.93 117.57 3fa4 h MET 285 Ca 0.06 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3fa4 h MET 285 Cb 0.44 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3fa4 h MET 285 CO 0.03 1.07 0.12 0.87 1.06 0.00 0.00 176.91 180.06 3fa4 h LYS 286 N 0.03 0.25 -0.44 1.72 6.56 -1.10 0.95 116.57 124.54 3fa4 h LYS 286 Ca -0.05 -0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.56 3fa4 h LYS 286 Cb 1.82 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 33.39 3fa4 h LYS 286 CO 0.16 0.18 0.20 0.28 -2.06 0.00 0.00 179.45 178.21 3fa4 h VAL 287 N 0.24 0.93 -0.37 0.50 2.07 -1.50 0.33 116.25 118.46 3fa4 h VAL 287 Ca 0.07 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3fa4 h VAL 287 Cb -0.01 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3fa4 h VAL 287 CO -0.01 0.07 -0.08 -0.78 0.02 0.00 0.00 177.57 176.78 3fa4 h ASP 288 N 0.40 0.61 0.06 0.57 1.82 -1.44 -2.34 116.42 116.10 3fa4 h ASP 288 Ca 0.19 -0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 3fa4 h ASP 288 Cb 0.13 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.98 3fa4 h ASP 288 CO -0.16 0.73 -0.03 0.00 -1.61 0.00 0.00 179.24 178.18 3fa4 h ALA 289 N 1.33 -0.08 -0.31 -0.78 0.00 -0.01 -2.96 119.26 116.46 3fa4 h ALA 289 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3fa4 h ALA 289 Cb 0.49 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3fa4 h ALA 289 CO 0.03 -0.37 0.05 1.96 0.00 0.00 0.00 179.25 180.92 3fa4 h GLN 290 N -0.42 0.45 0.00 0.00 4.20 -0.32 -1.20 115.11 117.82 3fa4 h GLN 290 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3fa4 h GLN 290 Cb 0.37 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3fa4 h GLN 290 CO 0.01 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 3fa4 n ALA 291 N -2.48 1.70 -0.61 3.87 0.00 -0.89 -5.10 120.51 117.00 3fa4 n ALA 291 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3fa4 n ALA 291 Cb 0.19 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3fa4 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91