#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 4.34 0.06 -0.52 -1.94 -1.26 -5.04 119.30 114.93 3fa4 s MET 3 Ca 0.00 2.14 0.05 0.00 -1.71 0.00 0.00 55.69 56.17 3fa4 s MET 3 Cb 0.00 -3.18 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 3fa4 s MET 3 CO 0.00 -0.34 -0.15 0.14 -0.01 0.00 0.00 175.02 174.66 3fa4 s VAL 4 N 0.27 1.18 0.11 -6.03 -7.23 -1.26 -5.15 120.40 102.28 3fa4 s VAL 4 Ca 0.59 -1.19 0.09 0.00 -1.81 0.00 0.00 61.98 59.66 3fa4 s VAL 4 Cb -0.38 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3fa4 s VAL 4 CO 0.38 -0.10 -0.23 0.28 -0.31 0.00 0.00 175.10 175.12 3fa4 s THR 5 N -1.07 1.87 -0.93 5.32 -1.32 -1.26 -5.03 115.64 113.22 3fa4 s THR 5 Ca 0.00 -1.58 0.13 0.00 -1.21 0.00 0.00 61.69 59.04 3fa4 s THR 5 Cb -0.09 -1.68 0.12 0.00 -1.51 0.00 0.00 72.50 69.33 3fa4 s THR 5 CO 0.02 0.01 1.42 0.00 -2.21 0.00 0.00 174.62 173.86 3fa4 n ALA 6 N 1.09 1.55 -0.06 11.08 0.00 -1.26 -2.46 120.51 130.46 3fa4 n ALA 6 Ca -0.19 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.25 3fa4 n ALA 6 Cb 0.53 -1.22 0.35 0.00 0.00 0.00 0.00 19.45 19.11 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 2.39 1.56 0.02 0.00 0.00 -1.79 -2.50 119.26 118.94 3fa4 h ALA 7 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fa4 h ALA 7 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fa4 h ALA 7 CO 0.00 0.37 -0.01 1.15 0.00 0.00 0.00 179.25 180.76 3fa4 h THR 8 N 0.68 1.30 -0.64 0.00 2.02 -1.70 -1.94 112.91 112.64 3fa4 h THR 8 Ca 0.18 -1.03 0.12 0.00 0.77 0.00 0.00 66.41 66.45 3fa4 h THR 8 Cb 0.00 1.99 -0.09 0.00 -1.74 0.00 0.00 68.15 68.32 3fa4 h THR 8 CO -0.03 0.26 0.18 0.28 0.37 0.00 0.00 175.52 176.58 3fa4 h SER 9 N -0.48 0.10 -0.25 4.18 0.02 -1.68 -1.02 113.55 114.42 3fa4 h SER 9 Ca -0.00 0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 60.86 3fa4 h SER 9 Cb 0.45 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3fa4 h SER 9 CO 0.01 0.05 -0.60 0.25 -1.14 0.00 0.00 176.83 175.39 3fa4 h LEU 10 N 0.32 0.96 -0.25 5.07 5.85 -1.50 0.14 115.31 125.90 3fa4 h LEU 10 Ca 0.34 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3fa4 h LEU 10 Cb 0.49 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3fa4 h LEU 10 CO -0.39 1.35 -0.46 -0.09 -0.34 0.00 0.00 178.44 178.51 3fa4 h ARG 11 N 0.62 -0.38 -0.80 1.25 2.43 -1.31 -0.90 114.38 115.28 3fa4 h ARG 11 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3fa4 h ARG 11 Cb 1.22 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 3fa4 h ARG 11 CO 0.13 -0.25 0.52 0.00 -1.51 0.00 0.00 179.97 178.86 3fa4 h ARG 12 N -0.39 1.07 -0.77 0.20 3.08 -1.01 -2.57 114.38 113.98 3fa4 h ARG 12 Ca 0.05 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3fa4 h ARG 12 Cb 0.52 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3fa4 h ARG 12 CO -0.44 0.72 0.39 0.00 -1.07 0.00 0.00 179.97 179.56 3fa4 h ALA 13 N 1.28 1.22 0.00 0.04 0.00 -0.83 -1.91 119.26 119.07 3fa4 h ALA 13 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fa4 h ALA 13 Cb -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.38 3fa4 h ALA 13 CO -0.06 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.07 3fa4 n LEU 14 N -4.33 0.20 0.05 0.00 4.77 -0.36 -1.08 117.00 116.25 3fa4 n LEU 14 Ca 0.08 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.73 3fa4 n LEU 14 Cb 0.13 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 40.70 3fa4 n LEU 14 CO 0.39 -0.43 0.00 -0.62 -1.33 0.00 0.00 177.39 175.40 3fa4 n GLU 15 N -1.73 0.38 -2.56 3.23 1.02 -0.73 -4.84 120.64 115.41 3fa4 n GLU 15 Ca 0.02 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.75 3fa4 n GLU 15 Cb 0.14 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 3fa4 n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3fa4 s ASN 16 N -4.32 7.07 0.57 1.62 3.84 -0.24 -4.96 114.94 118.52 3fa4 s ASN 16 Ca 0.02 1.56 0.26 0.00 0.21 0.00 0.00 52.86 54.92 3fa4 s ASN 16 Cb 0.13 -2.54 1.67 0.00 -0.55 0.00 0.00 41.25 39.96 3fa4 s ASN 16 CO 0.79 -0.65 2.22 -0.65 -2.79 0.00 0.00 177.10 176.02 3fa4 h PRO 17 N 7.63 0.00 -0.02 0.43 0.11 -1.88 -2.96 132.00 135.31 3fa4 h PRO 17 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3fa4 h PRO 17 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fa4 h PRO 17 CO 0.94 0.00 -0.28 -0.25 -0.21 0.00 0.00 178.00 178.20 3fa4 n ASP 18 N -4.02 2.06 -4.81 -2.05 8.00 -1.26 -4.96 116.55 109.50 3fa4 n ASP 18 Ca -0.03 -1.53 -0.34 0.00 0.71 0.00 0.00 54.79 53.60 3fa4 n ASP 18 Cb 0.10 0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.00 6.86 -0.20 -2.24 1.04 -1.12 -5.04 113.70 110.99 3fa4 s SER 19 Ca 0.18 1.80 -0.08 0.00 0.48 0.00 0.00 55.95 58.32 3fa4 s SER 19 Cb 0.16 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.80 3fa4 s SER 19 CO 0.41 -0.42 0.44 0.12 0.98 0.00 0.00 173.24 174.77 3fa4 s PHE 20 N -2.00 -0.77 -0.25 5.02 5.36 -1.26 -4.93 117.98 119.14 3fa4 s PHE 20 Ca 0.61 1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 57.96 3fa4 s PHE 20 Cb -0.13 0.33 -0.04 0.00 -0.34 0.00 0.00 43.02 42.83 3fa4 s PHE 20 CO 0.17 -0.45 0.31 0.42 -1.46 0.00 0.00 175.22 174.21 3fa4 s ILE 21 N 2.22 5.24 -0.31 3.12 1.09 0.31 -5.00 121.20 127.87 3fa4 s ILE 21 Ca -0.05 0.46 -0.08 0.00 -1.10 0.00 0.00 60.65 59.88 3fa4 s ILE 21 Cb -0.11 -3.64 0.01 0.00 -1.06 0.00 0.00 42.46 37.67 3fa4 s ILE 21 CO -0.13 0.23 0.11 -0.69 -0.10 0.00 0.00 174.94 174.36 3fa4 s VAL 22 N 1.65 4.17 -0.29 2.92 1.01 -1.26 -1.34 120.40 127.26 3fa4 s VAL 22 Ca 0.13 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3fa4 s VAL 22 Cb -0.15 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.13 3fa4 s VAL 22 CO 0.09 0.02 0.02 0.00 0.00 0.00 0.00 175.10 175.22 3fa4 s ALA 23 N 1.52 2.16 0.35 5.51 0.00 -0.14 -3.92 121.76 127.25 3fa4 s ALA 23 Ca 0.03 -1.83 -0.26 0.00 0.00 0.00 0.00 51.96 49.89 3fa4 s ALA 23 Cb -0.18 -1.66 -0.09 0.00 0.00 0.00 0.00 23.12 21.19 3fa4 s ALA 23 CO 0.04 -1.48 1.09 -1.25 0.00 0.00 0.00 175.76 174.15 3fa4 s PRO 24 N 1.29 4.35 0.30 0.00 0.04 -1.26 -1.88 135.00 137.84 3fa4 s PRO 24 Ca 0.04 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 3fa4 s PRO 24 Cb -0.18 -2.84 -0.10 0.00 0.04 0.00 0.00 34.50 31.42 3fa4 s PRO 24 CO -0.12 -0.01 1.11 0.20 0.04 0.00 0.00 177.00 178.22 3fa4 s GLY 25 N -1.22 3.03 -0.04 0.56 0.00 0.19 -2.50 107.32 107.35 3fa4 s GLY 25 Ca 0.52 0.91 -0.10 0.00 0.00 0.00 0.00 44.72 46.04 3fa4 s GLY 25 CO 0.35 1.50 0.24 0.54 0.00 0.00 0.00 173.10 175.72 3fa4 s VAL 26 N -1.21 0.04 0.00 1.40 0.11 -0.53 -3.32 120.40 116.90 3fa4 s VAL 26 Ca 0.46 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 3fa4 s VAL 26 Cb -0.32 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3fa4 s VAL 26 CO 0.41 -0.20 0.00 0.00 -3.33 0.00 0.00 175.10 171.97 3fa4 n TYR 27 N 1.94 0.00 -3.71 1.54 4.11 -1.26 -2.73 117.16 117.05 3fa4 n TYR 27 Ca -0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.63 3fa4 n TYR 27 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.91 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 0.00 -1.50 0.17 9.48 5.75 -1.26 -4.41 116.55 124.77 3fa4 n ASP 28 Ca 0.00 -2.28 0.03 0.00 -0.01 0.00 0.00 54.79 52.53 3fa4 n ASP 28 Cb 0.13 2.57 0.25 0.00 -1.03 0.00 0.00 41.12 43.04 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 1.50 0.00 0.70 6.12 0.00 -1.98 -3.07 103.07 106.34 3fa4 h GLY 29 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 3fa4 h GLY 29 CO 0.31 0.00 -0.33 1.41 0.00 0.00 0.00 176.54 177.92 3fa4 h LEU 30 N 0.00 0.41 -0.98 3.11 3.38 -1.99 -2.69 115.31 116.56 3fa4 h LEU 30 Ca -0.00 -0.65 -0.10 0.00 0.09 0.00 0.00 57.88 57.21 3fa4 h LEU 30 Cb 1.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3fa4 h LEU 30 CO 0.06 1.00 -0.41 0.77 0.09 0.00 0.00 178.44 179.94 3fa4 h SER 31 N -0.14 0.21 0.66 -0.43 4.64 -1.98 -1.86 113.55 114.65 3fa4 h SER 31 Ca -0.02 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3fa4 h SER 31 Cb 0.99 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3fa4 h SER 31 CO 0.07 0.60 -0.32 0.00 -0.87 0.00 0.00 176.83 176.31 3fa4 h ALA 32 N 1.41 -0.89 -0.82 5.18 0.00 -1.60 -1.01 119.26 121.53 3fa4 h ALA 32 Ca 0.01 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.91 3fa4 h ALA 32 Cb 0.81 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 3fa4 h ALA 32 CO 0.06 -0.95 0.21 0.00 0.00 0.00 0.00 179.25 178.58 3fa4 h ARG 33 N -1.00 0.24 -0.21 0.00 2.47 -1.47 -1.38 114.38 113.03 3fa4 h ARG 33 Ca -0.09 -0.01 -0.17 0.00 -1.26 0.00 0.00 59.98 58.45 3fa4 h ARG 33 Cb 0.71 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3fa4 h ARG 33 CO 0.15 0.16 -0.55 0.28 0.56 0.00 0.00 179.97 180.56 3fa4 h VAL 34 N 0.25 1.31 -0.41 2.04 2.07 -1.27 -2.33 116.25 117.91 3fa4 h VAL 34 Ca 0.49 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 3fa4 h VAL 34 Cb 0.92 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3fa4 h VAL 34 CO -0.59 0.56 0.17 0.00 0.02 0.00 0.00 177.57 177.73 3fa4 h ALA 35 N 0.88 0.53 -0.45 1.67 0.00 -0.78 -3.00 119.26 118.11 3fa4 h ALA 35 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3fa4 h ALA 35 Cb 1.12 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3fa4 h ALA 35 CO 0.11 0.13 0.18 -0.07 0.00 0.00 0.00 179.25 179.59 3fa4 h LEU 36 N 0.52 0.21 -1.59 0.00 -0.00 -1.25 -2.83 115.31 110.36 3fa4 h LEU 36 Ca 0.14 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.03 3fa4 h LEU 36 Cb 0.18 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 3fa4 h LEU 36 CO -0.01 0.15 -0.08 0.28 -0.00 0.00 0.00 178.44 178.78 3fa4 h SER 37 N 0.36 0.15 0.89 -0.43 0.02 -1.44 -2.40 113.55 110.70 3fa4 h SER 37 Ca 0.21 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3fa4 h SER 37 Cb 0.19 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3fa4 h SER 37 CO -0.20 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.75 3fa4 n ALA 38 N -2.50 2.06 0.00 3.77 0.00 -1.07 -4.89 120.51 117.87 3fa4 n ALA 38 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3fa4 n ALA 38 Cb 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3fa4 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa4 n GLY 39 N 0.89 1.19 3.76 0.00 0.00 -0.90 -5.09 105.19 105.03 3fa4 n GLY 39 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 3.59 -1.94 1.61 0.40 -1.18 -4.96 117.98 113.49 3fa4 s PHE 40 Ca 0.00 1.69 0.19 0.00 -0.60 0.00 0.00 56.93 58.22 3fa4 s PHE 40 Cb 0.00 -3.28 0.42 0.00 0.51 0.00 0.00 43.02 40.67 3fa4 s PHE 40 CO 0.00 -0.54 1.35 -0.25 0.70 0.00 0.00 175.22 176.48 3fa4 n ASP 41 N 1.31 3.33 -3.47 1.36 8.00 -1.26 -4.70 116.55 121.12 3fa4 n ASP 41 Ca -0.01 -1.94 -0.15 0.00 0.71 0.00 0.00 54.79 53.40 3fa4 n ASP 41 Cb 0.45 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.22 -1.67 0.07 2.24 0.00 -1.25 -4.22 121.76 115.70 3fa4 s ALA 42 Ca 0.36 0.88 0.02 0.00 0.00 0.00 0.00 51.96 53.22 3fa4 s ALA 42 Cb 0.20 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3fa4 s ALA 42 CO 0.27 -0.58 -0.08 -0.51 0.00 0.00 0.00 175.76 174.87 3fa4 s LEU 43 N -2.00 2.35 -0.20 0.00 1.43 -0.44 -4.02 118.68 115.80 3fa4 s LEU 43 Ca -0.05 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3fa4 s LEU 43 Cb -0.01 -0.16 0.05 0.00 0.03 0.00 0.00 46.19 46.11 3fa4 s LEU 43 CO -0.02 -0.29 -0.06 -0.47 0.23 0.00 0.00 176.35 175.74 3fa4 s TYR 44 N -2.22 2.08 -0.55 0.29 5.04 -1.04 -0.77 117.35 120.18 3fa4 s TYR 44 Ca -0.01 -1.45 -0.28 0.00 -2.44 0.00 0.00 57.07 52.89 3fa4 s TYR 44 Cb -0.04 -1.47 0.03 0.00 0.35 0.00 0.00 41.96 40.83 3fa4 s TYR 44 CO -0.01 -0.71 1.14 1.41 -1.34 0.00 0.00 175.55 176.04 3fa4 s MET 45 N 1.50 3.55 0.10 4.97 -2.45 0.76 -1.45 119.30 126.28 3fa4 s MET 45 Ca -0.02 0.27 -0.30 0.00 -1.25 0.00 0.00 55.69 54.39 3fa4 s MET 45 Cb -0.17 -3.99 -0.06 0.00 1.25 0.00 0.00 34.83 31.86 3fa4 s MET 45 CO -0.07 -1.57 1.04 -0.08 1.05 0.00 0.00 175.02 175.39 3fa4 s THR 46 N 4.69 4.32 -0.10 10.11 -1.32 -1.10 -1.84 115.64 130.41 3fa4 s THR 46 Ca 0.43 1.84 0.14 0.00 -1.21 0.00 0.00 61.69 62.89 3fa4 s THR 46 Cb -0.08 -4.18 -0.02 0.00 -1.51 0.00 0.00 72.50 66.71 3fa4 s THR 46 CO 0.26 0.24 1.32 1.23 -2.21 0.00 0.00 174.62 175.46 3fa4 h GLY 47 N 5.89 0.00 0.97 6.08 0.00 -1.92 -1.14 103.07 112.96 3fa4 h GLY 47 Ca -0.43 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3fa4 h GLY 47 CO 0.74 0.00 0.34 0.00 0.00 0.00 0.00 176.54 177.62 3fa4 h ALA 48 N 1.38 0.67 -0.02 3.60 0.00 -1.97 0.16 119.26 123.09 3fa4 h ALA 48 Ca -0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3fa4 h ALA 48 Cb 1.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3fa4 h ALA 48 CO 0.08 0.09 -0.80 0.78 0.00 0.00 0.00 179.25 179.40 3fa4 h GLY 49 N 0.70 0.24 0.99 0.00 0.00 -1.92 -1.47 103.07 101.61 3fa4 h GLY 49 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3fa4 h GLY 49 CO -0.05 0.34 0.18 -0.84 0.00 0.00 0.00 176.54 176.17 3fa4 h THR 50 N 0.13 1.06 -0.77 4.70 2.02 -0.85 -1.67 112.91 117.54 3fa4 h THR 50 Ca -0.03 -0.12 0.07 0.00 0.77 0.00 0.00 66.41 67.09 3fa4 h THR 50 Cb 1.39 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.40 3fa4 h THR 50 CO 0.12 0.07 0.44 0.00 0.37 0.00 0.00 175.52 176.52 3fa4 h ALA 51 N 1.11 1.05 -0.73 6.16 0.00 -0.52 0.90 119.26 127.23 3fa4 h ALA 51 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fa4 h ALA 51 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3fa4 h ALA 51 CO -0.03 0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.73 3fa4 h ALA 52 N 1.40 0.94 0.00 0.00 0.00 -1.10 -1.81 119.26 118.68 3fa4 h ALA 52 Ca 0.35 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 3fa4 h ALA 52 Cb 0.23 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3fa4 h ALA 52 CO -0.20 0.48 -1.35 0.45 0.00 0.00 0.00 179.25 178.63 3fa4 n SER 53 N -4.44 1.87 0.01 0.00 2.88 -0.64 -1.82 113.62 111.48 3fa4 n SER 53 Ca 0.06 0.42 -0.06 0.00 -1.33 0.00 0.00 58.87 57.96 3fa4 n SER 53 Cb 0.11 -0.95 0.12 0.00 -0.75 0.00 0.00 64.21 62.75 3fa4 n SER 53 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3fa4 h VAL 54 N -1.00 1.30 0.00 2.46 -1.51 -0.98 -3.38 116.25 113.13 3fa4 h VAL 54 Ca -0.37 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 3fa4 h VAL 54 Cb 1.30 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 3fa4 h VAL 54 CO -0.22 0.49 -0.39 1.41 -1.23 0.00 0.00 177.57 177.63 3fa4 n HIS 55 N -4.03 0.00 -1.52 5.19 8.25 -1.00 -4.99 115.22 117.12 3fa4 n HIS 55 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 3fa4 n HIS 55 Cb 0.51 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 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 1.36 0.74 3.62 -1.41 0.00 -0.75 -5.00 105.19 103.75 3fa4 n GLY 56 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.23 2.06 0.65 1.61 2.00 -0.73 -4.93 119.66 117.09 3fa4 s GLN 57 Ca 0.00 -1.76 -0.11 0.00 -2.00 0.00 0.00 55.36 51.49 3fa4 s GLN 57 Cb 0.00 -1.91 -0.02 0.00 0.80 0.00 0.00 33.01 31.88 3fa4 s GLN 57 CO 0.00 0.14 1.05 0.00 -0.50 0.00 0.00 175.29 175.98 3fa4 s ALA 58 N -2.52 3.03 -1.20 1.58 0.00 -1.26 -2.81 121.76 118.58 3fa4 s ALA 58 Ca 0.35 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.89 3fa4 s ALA 58 Cb 0.00 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 20.13 3fa4 s ALA 58 CO 0.19 -0.86 1.68 0.34 0.00 0.00 0.00 175.76 177.11 3fa4 s ASP 59 N -4.25 6.55 -0.10 0.00 3.68 -1.26 -4.65 116.67 116.64 3fa4 s ASP 59 Ca 0.56 -2.04 0.17 0.00 2.13 0.00 0.00 52.55 53.37 3fa4 s ASP 59 Cb -0.11 -2.58 0.39 0.00 -1.45 0.00 0.00 42.92 39.17 3fa4 s ASP 59 CO 0.53 -1.46 1.18 0.18 0.13 0.00 0.00 175.17 175.72 3fa4 n LEU 60 N 9.17 1.77 0.00 -1.34 4.77 -1.26 -4.96 117.00 125.15 3fa4 n LEU 60 Ca 0.44 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 3fa4 n LEU 60 Cb 0.48 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3fa4 n LEU 60 CO 0.73 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.29 3fa4 n GLY 61 N -0.35 0.59 0.10 -0.72 0.00 -1.26 -4.96 105.19 98.60 3fa4 n GLY 61 Ca 0.12 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.43 3fa4 n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa4 n ILE 62 N -3.32 0.73 -2.79 -0.61 2.08 -1.26 -4.87 119.36 109.31 3fa4 n ILE 62 Ca 0.00 -0.58 -0.41 0.00 0.56 0.00 0.00 62.75 62.32 3fa4 n ILE 62 Cb 0.30 -0.42 -0.05 0.00 -0.75 0.00 0.00 39.64 38.73 3fa4 n ILE 62 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fa4 s THR 64 N -0.07 3.00 0.39 0.00 -4.23 -1.26 -4.94 115.64 108.54 3fa4 s THR 64 Ca 0.45 -0.42 0.16 0.00 -1.18 0.00 0.00 61.69 60.70 3fa4 s THR 64 Cb -0.23 -3.17 0.37 0.00 1.34 0.00 0.00 72.50 70.81 3fa4 s THR 64 CO 0.28 -0.15 1.82 0.25 -0.54 0.00 0.00 174.62 176.29 3fa4 h LEU 65 N -0.08 0.48 -0.50 4.79 5.85 -1.98 -1.31 115.31 122.57 3fa4 h LEU 65 Ca -0.44 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3fa4 h LEU 65 Cb 1.29 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3fa4 h LEU 65 CO 0.57 0.17 0.28 0.78 -0.34 0.00 0.00 178.44 179.89 3fa4 h ASN 66 N 0.47 0.62 -0.49 1.25 4.21 -1.99 -1.49 115.58 118.16 3fa4 h ASN 66 Ca 0.52 -0.09 -0.13 0.00 1.21 0.00 0.00 56.30 57.81 3fa4 h ASN 66 Cb 1.20 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 3fa4 h ASN 66 CO -0.23 0.53 -0.21 0.44 -1.29 0.00 0.00 177.43 176.67 3fa4 h ASP 67 N 0.66 1.02 0.18 5.81 3.32 -1.66 -2.41 116.42 123.35 3fa4 h ASP 67 Ca 0.18 -0.39 -0.25 0.00 0.02 0.00 0.00 57.03 56.58 3fa4 h ASP 67 Cb 0.05 -0.28 0.03 0.00 0.22 0.00 0.00 39.33 39.34 3fa4 h ASP 67 CO -0.03 1.19 -1.11 0.24 -1.72 0.00 0.00 179.24 177.81 3fa4 h MET 68 N 0.86 0.43 -0.56 3.56 2.86 -1.13 -2.80 114.93 118.14 3fa4 h MET 68 Ca 0.11 -0.71 0.05 0.00 -2.06 0.00 0.00 59.70 57.09 3fa4 h MET 68 Cb 0.79 0.26 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 3fa4 h MET 68 CO 0.07 1.33 0.30 -0.09 1.06 0.00 0.00 176.91 179.57 3fa4 h ARG 69 N -0.10 0.55 -0.54 1.72 1.12 -1.37 -0.62 114.38 115.14 3fa4 h ARG 69 Ca -0.19 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.63 3fa4 h ARG 69 Cb 1.87 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 31.68 3fa4 h ARG 69 CO 0.21 0.36 0.28 0.00 -3.11 0.00 0.00 179.97 177.71 3fa4 h ALA 70 N 1.30 0.70 -0.06 2.80 0.00 -1.49 -1.22 119.26 121.28 3fa4 h ALA 70 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3fa4 h ALA 70 Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3fa4 h ALA 70 CO -0.16 0.24 0.01 -0.97 0.00 0.00 0.00 179.25 178.37 3fa4 h ASN 71 N 0.73 0.09 -0.85 0.00 -1.24 -1.35 -1.75 115.58 111.21 3fa4 h ASN 71 Ca 0.19 -0.26 0.09 0.00 0.71 0.00 0.00 56.30 57.03 3fa4 h ASN 71 Cb 0.09 -0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.04 3fa4 h ASN 71 CO -0.03 0.33 0.50 0.00 -1.29 0.00 0.00 177.43 176.94 3fa4 h ALA 72 N 0.77 1.22 -0.35 1.57 0.00 -1.10 -1.37 119.26 119.99 3fa4 h ALA 72 Ca 0.02 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3fa4 h ALA 72 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fa4 h ALA 72 CO 0.00 0.13 -0.36 1.49 0.00 0.00 0.00 179.25 180.52 3fa4 h GLU 73 N 0.83 0.86 0.63 0.00 4.81 -1.16 -1.98 114.58 118.57 3fa4 h GLU 73 Ca 0.41 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3fa4 h GLU 73 Cb 0.36 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3fa4 h GLU 73 CO -0.24 1.10 -0.31 1.98 -0.73 0.00 0.00 179.01 180.81 3fa4 h MET 74 N 0.66 -0.83 -0.20 1.92 4.05 -1.16 -3.16 114.93 116.21 3fa4 h MET 74 Ca 0.05 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 3fa4 h MET 74 Cb 0.95 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 3fa4 h MET 74 CO 0.09 -0.55 0.04 0.82 0.23 0.00 0.00 176.91 177.54 3fa4 h ILE 75 N -0.86 1.11 0.00 1.77 2.04 -1.25 -2.56 117.51 117.76 3fa4 h ILE 75 Ca -0.08 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3fa4 h ILE 75 Cb 0.67 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3fa4 h ILE 75 CO 0.13 0.13 0.00 0.28 0.00 0.00 0.00 178.15 178.70 3fa4 h SER 76 N 0.29 0.00 -0.06 1.72 0.02 -1.38 -3.12 113.55 111.02 3fa4 h SER 76 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3fa4 h SER 76 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3fa4 h SER 76 CO -0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 3fa4 n ASN 77 N -2.73 2.05 0.01 3.07 3.02 -0.97 -3.65 115.26 116.06 3fa4 n ASN 77 Ca 0.02 -1.87 -0.13 0.00 -0.03 0.00 0.00 54.58 52.58 3fa4 n ASN 77 Cb 0.34 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 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 0.44 1.25 -2.88 2.41 2.04 -1.47 -3.40 117.51 115.90 3fa4 h ILE 78 Ca 0.00 -0.81 -0.59 0.00 1.00 0.00 0.00 64.86 64.46 3fa4 h ILE 78 Cb 0.48 1.80 -0.40 0.00 -0.74 0.00 0.00 36.82 37.96 3fa4 h ILE 78 CO 0.00 0.21 -0.78 -0.55 0.00 0.00 0.00 178.15 177.03 3fa4 s SER 79 N -5.53 3.51 0.47 1.72 0.15 -1.26 -5.02 113.70 107.74 3fa4 s SER 79 Ca -0.15 -2.17 0.30 0.00 0.70 0.00 0.00 55.95 54.62 3fa4 s SER 79 Cb 0.03 -0.74 1.62 0.00 -1.71 0.00 0.00 66.02 65.22 3fa4 s SER 79 CO 0.66 -0.33 1.91 1.55 1.20 0.00 0.00 173.24 178.23 3fa4 h PRO 80 N 7.24 0.00 0.00 5.44 0.13 -1.78 -1.38 132.00 141.64 3fa4 h PRO 80 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3fa4 h PRO 80 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3fa4 h PRO 80 CO 0.41 0.00 -0.74 -1.13 -0.23 0.00 0.00 178.00 176.30 3fa4 n SER 81 N -2.58 0.71 -4.55 1.44 3.41 -1.26 -4.02 113.62 106.77 3fa4 n SER 81 Ca -0.02 -0.55 -0.43 0.00 -0.26 0.00 0.00 58.87 57.62 3fa4 n SER 81 Cb 0.10 0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 64.58 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 -3.02 4.76 0.23 6.66 2.01 -0.52 -4.88 115.64 120.88 3fa4 s THR 82 Ca 0.09 0.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 3fa4 s THR 82 Cb 0.17 -4.23 -0.13 0.00 0.01 0.00 0.00 72.50 68.32 3fa4 s THR 82 CO 0.78 -0.57 1.48 -0.81 -0.69 0.00 0.00 174.62 174.81 3fa4 n PRO 83 N 6.42 2.18 -4.11 4.92 -0.04 -1.26 -4.83 135.00 138.29 3fa4 n PRO 83 Ca 0.01 0.78 -0.34 0.00 -0.04 0.00 0.00 63.50 63.90 3fa4 n PRO 83 Cb 0.48 -2.48 -0.14 0.00 -0.04 0.00 0.00 33.50 31.32 3fa4 n PRO 83 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fa4 s VAL 84 N 0.14 3.04 -0.32 0.52 1.01 -1.26 -1.32 120.40 122.21 3fa4 s VAL 84 Ca 0.69 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 3fa4 s VAL 84 Cb -0.63 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3fa4 s VAL 84 CO 0.47 0.47 0.50 -0.63 0.00 0.00 0.00 175.10 175.91 3fa4 s ILE 85 N 1.24 5.04 -0.08 2.22 1.01 0.05 -1.64 121.20 129.05 3fa4 s ILE 85 Ca 0.03 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.21 3fa4 s ILE 85 Cb -0.14 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3fa4 s ILE 85 CO -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 174.94 174.71 3fa4 s ALA 86 N 2.35 2.86 0.45 9.38 0.00 -0.06 -0.17 121.76 136.56 3fa4 s ALA 86 Ca 0.19 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 3fa4 s ALA 86 Cb -0.15 -1.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 3fa4 s ALA 86 CO 0.12 0.51 1.44 0.34 0.00 0.00 0.00 175.76 178.16 3fa4 s ASP 87 N -0.58 5.90 -0.02 0.00 -1.08 -0.77 -2.25 116.67 117.88 3fa4 s ASP 87 Ca 0.08 2.94 0.04 0.00 -0.52 0.00 0.00 52.55 55.09 3fa4 s ASP 87 Cb -0.12 -2.66 0.05 0.00 -1.46 0.00 0.00 42.92 38.74 3fa4 s ASP 87 CO 0.02 -1.16 0.88 0.00 0.52 0.00 0.00 175.17 175.43 3fa4 n ALA 88 N -0.15 1.75 -0.53 3.66 0.00 -0.98 -4.84 120.51 119.42 3fa4 n ALA 88 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.33 3fa4 n ALA 88 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.35 0.00 -1.11 0.00 8.00 -1.24 -1.16 116.55 120.69 3fa4 n ASP 89 Ca 0.03 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.65 3fa4 n ASP 89 Cb 0.56 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.91 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 0.56 -0.70 -3.53 -2.24 -1.26 -1.60 114.28 105.51 3fa4 n THR 90 Ca 0.00 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3fa4 n THR 90 Cb 0.00 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.48 0.64 2.46 3.38 0.00 -0.31 -4.49 105.19 108.35 3fa4 n GLY 91 Ca 0.20 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.70 0.00 -0.15 1.61 4.02 -1.26 -2.72 117.16 115.96 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 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 39.34 37.35 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 -1.09 -0.14 0.00 2.72 0.00 -1.26 -4.86 105.19 100.55 3fa4 n GLY 93 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.35 0.35 -0.02 0.00 -1.26 -4.61 105.19 98.30 3fa4 n GLY 94 Ca 0.00 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.55 3fa4 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa4 h PRO 95 N 0.00 0.67 -0.88 1.61 0.11 -1.95 -0.97 132.00 130.58 3fa4 h PRO 95 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3fa4 h PRO 95 Cb 0.00 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 30.92 3fa4 h PRO 95 CO 0.00 0.44 0.55 0.82 -0.21 0.00 0.00 178.00 179.60 3fa4 h ILE 96 N 0.69 1.24 0.00 4.15 1.08 -1.97 -0.54 117.51 122.16 3fa4 h ILE 96 Ca 0.60 -0.51 -0.20 0.00 -0.39 0.00 0.00 64.86 64.36 3fa4 h ILE 96 Cb 1.03 -0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 3fa4 h ILE 96 CO -0.40 0.25 -0.97 0.24 -0.69 0.00 0.00 178.15 176.58 3fa4 h MET 97 N 1.21 0.00 -0.55 2.37 2.86 -1.72 -1.69 114.93 117.42 3fa4 h MET 97 Ca 0.32 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.90 3fa4 h MET 97 Cb -0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3fa4 h MET 97 CO -0.06 0.97 0.12 0.28 1.06 0.00 0.00 176.91 179.28 3fa4 h VAL 98 N 0.00 1.25 -0.26 -2.22 2.07 -0.99 -1.45 116.25 114.65 3fa4 h VAL 98 Ca -0.01 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3fa4 h VAL 98 Cb 1.73 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3fa4 h VAL 98 CO 0.13 0.33 0.17 0.00 0.02 0.00 0.00 177.57 178.21 3fa4 h ALA 99 N 1.01 0.33 -0.52 1.67 0.00 -0.99 -1.84 119.26 118.92 3fa4 h ALA 99 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3fa4 h ALA 99 Cb 0.36 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3fa4 h ALA 99 CO 0.00 -0.20 0.21 0.00 0.00 0.00 0.00 179.25 179.26 3fa4 h ARG 100 N 0.35 0.39 -0.43 0.00 3.08 -1.25 -2.21 114.38 114.32 3fa4 h ARG 100 Ca 0.10 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.20 3fa4 h ARG 100 Cb -0.03 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.86 3fa4 h ARG 100 CO -0.03 0.26 0.02 1.15 -1.07 0.00 0.00 179.97 180.31 3fa4 h THR 101 N 0.40 0.70 -0.47 2.04 2.02 -1.18 -0.95 112.91 115.48 3fa4 h THR 101 Ca 0.25 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 3fa4 h THR 101 Cb 0.25 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3fa4 h THR 101 CO -0.23 0.03 0.06 0.74 0.37 0.00 0.00 175.52 176.49 3fa4 h THR 102 N 0.14 1.25 0.33 3.16 2.02 -0.84 0.15 112.91 119.12 3fa4 h THR 102 Ca 0.21 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 3fa4 h THR 102 Cb 0.30 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3fa4 h THR 102 CO -0.34 0.33 -0.16 -0.33 0.37 0.00 0.00 175.52 175.39 3fa4 h GLU 103 N 0.64 -0.43 -0.45 6.66 5.08 -1.34 -1.06 114.58 123.68 3fa4 h GLU 103 Ca 0.14 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3fa4 h GLU 103 Cb 0.41 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 3fa4 h GLU 103 CO 0.01 -0.15 0.14 1.96 -1.00 0.00 0.00 179.01 179.97 3fa4 h GLN 104 N -0.69 0.28 0.00 2.33 4.20 -1.06 0.33 115.11 120.50 3fa4 h GLN 104 Ca -0.05 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3fa4 h GLN 104 Cb 0.48 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3fa4 h GLN 104 CO 0.07 0.19 -0.30 1.88 -0.67 0.00 0.00 178.83 180.00 3fa4 h TYR 105 N 0.29 0.00 0.03 2.96 -1.99 -0.71 -2.18 116.97 115.37 3fa4 h TYR 105 Ca 0.22 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.95 3fa4 h TYR 105 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.97 3fa4 h TYR 105 CO -0.18 0.30 -0.01 0.77 -0.00 0.00 0.00 178.16 179.04 3fa4 h SER 106 N 0.00 -0.03 -0.67 3.88 0.02 -0.21 -2.23 113.55 114.31 3fa4 h SER 106 Ca -0.00 -0.53 0.15 0.00 -0.84 0.00 0.00 61.79 60.57 3fa4 h SER 106 Cb 0.68 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 3fa4 h SER 106 CO 0.04 0.52 0.46 0.03 -1.14 0.00 0.00 176.83 176.74 3fa4 h ARG 107 N -0.60 0.23 0.00 3.45 3.08 -0.90 -2.64 114.38 117.01 3fa4 h ARG 107 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3fa4 h ARG 107 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3fa4 h ARG 107 CO 0.01 0.15 0.00 0.43 -1.07 0.00 0.00 179.97 179.49 3fa4 n SER 108 N -4.43 0.29 0.00 7.04 7.64 -0.83 -4.89 113.62 118.44 3fa4 n SER 108 Ca 0.13 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.56 3fa4 n SER 108 Cb 0.57 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3fa4 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fa4 n GLY 109 N 0.62 0.80 3.77 0.23 0.00 -0.99 -4.67 105.19 104.94 3fa4 n GLY 109 Ca 0.04 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 2.69 -0.17 1.61 1.01 -0.84 -4.48 120.40 118.21 3fa4 s VAL 110 Ca 0.00 0.67 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 3fa4 s VAL 110 Cb 0.00 -3.43 -0.22 0.00 0.00 0.00 0.00 36.38 32.73 3fa4 s VAL 110 CO 0.00 0.15 0.22 0.00 0.00 0.00 0.00 175.10 175.47 3fa4 n ALA 111 N 1.02 0.90 -2.64 5.51 0.00 -0.65 -4.41 120.51 120.25 3fa4 n ALA 111 Ca 0.01 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.74 3fa4 n ALA 111 Cb 0.41 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 3fa4 n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa4 s ALA 112 N -2.48 0.09 0.02 0.00 0.00 -0.96 -1.44 121.76 117.00 3fa4 s ALA 112 Ca -0.27 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 3fa4 s ALA 112 Cb 0.07 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 3fa4 s ALA 112 CO 0.67 -0.30 0.14 -0.59 0.00 0.00 0.00 175.76 175.68 3fa4 s PHE 113 N -2.67 0.09 0.09 0.00 -0.12 -1.00 -0.89 117.98 113.48 3fa4 s PHE 113 Ca -0.04 -0.28 0.04 0.00 -0.05 0.00 0.00 56.93 56.59 3fa4 s PHE 113 Cb -0.01 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 3fa4 s PHE 113 CO -0.05 -0.35 0.04 -3.38 -0.05 0.00 0.00 175.22 171.43 3fa4 s HIS 114 N -2.11 3.08 0.02 3.49 -3.43 -0.95 -1.14 115.29 114.25 3fa4 s HIS 114 Ca -0.09 0.02 0.04 0.00 -0.80 0.00 0.00 55.06 54.22 3fa4 s HIS 114 Cb -0.04 -1.57 -0.02 0.00 -1.43 0.00 0.00 32.58 29.53 3fa4 s HIS 114 CO -0.02 0.50 -0.11 0.42 -2.00 0.00 0.00 174.74 173.53 3fa4 s ILE 115 N -1.37 0.85 0.45 -5.38 1.01 -0.07 -2.32 121.20 114.36 3fa4 s ILE 115 Ca 0.28 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3fa4 s ILE 115 Cb -0.12 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 3fa4 s ILE 115 CO 0.20 0.02 0.01 -1.83 0.00 0.00 0.00 174.94 173.34 3fa4 s GLU 116 N -0.82 2.05 -0.02 2.79 -1.05 -0.62 -0.31 118.70 120.71 3fa4 s GLU 116 Ca 0.01 -2.22 0.20 0.00 -0.15 0.00 0.00 54.97 52.81 3fa4 s GLU 116 Cb -0.06 -1.58 0.62 0.00 -0.44 0.00 0.00 34.13 32.67 3fa4 s GLU 116 CO 0.00 -0.17 1.52 -0.40 0.95 0.00 0.00 175.26 177.16 3fa4 n ASP 117 N -1.08 3.99 -4.74 0.83 5.75 -1.24 -4.67 116.55 115.38 3fa4 n ASP 117 Ca -0.10 -2.09 -0.31 0.00 -0.01 0.00 0.00 54.79 52.27 3fa4 n ASP 117 Cb 0.67 -0.48 0.11 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.17 1.93 0.72 0.11 -0.21 -1.26 -1.35 119.66 118.43 3fa4 s GLN 118 Ca 0.46 1.22 -0.16 0.00 0.02 0.00 0.00 55.36 56.90 3fa4 s GLN 118 Cb 0.25 -1.86 0.02 0.00 1.00 0.00 0.00 33.01 32.43 3fa4 s GLN 118 CO 0.30 -1.89 1.16 1.33 -2.12 0.00 0.00 175.29 174.07 3fa4 n VAL 119 N -3.69 3.41 -0.00 1.09 0.24 0.12 -4.48 118.33 115.02 3fa4 n VAL 119 Ca 0.09 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 3fa4 n VAL 119 Cb 0.53 -1.28 0.07 0.00 -1.47 0.00 0.00 33.84 31.69 3fa4 n VAL 119 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3fa4 h GLN 120 N -0.14 0.57 0.00 7.34 4.15 -1.96 -3.44 115.11 121.63 3fa4 h GLN 120 Ca -0.48 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 58.60 3fa4 h GLN 120 Cb 1.33 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.04 3fa4 h GLN 120 CO 0.49 0.94 -0.16 2.41 -1.93 0.00 0.00 178.83 180.58 3fa4 n THR 121 N -3.98 0.42 0.00 2.39 -1.04 -1.26 -4.91 114.28 105.89 3fa4 n THR 121 Ca -0.03 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 3fa4 n THR 121 Cb 0.57 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 3fa4 n THR 121 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3fa4 n LYS 122 N -2.95 0.00 -1.32 -2.82 0.00 -1.26 -4.98 118.16 104.82 3fa4 n LYS 122 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3fa4 n LYS 122 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.11 3fa4 n LYS 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fa4 n GLY 129 N 0.00 0.00 3.84 2.58 0.00 -1.26 -5.23 105.19 105.11 3fa4 n GLY 129 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3fa4 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fa4 s LYS 130 N 0.00 4.10 -0.08 1.61 1.02 -1.26 -5.10 119.74 120.03 3fa4 s LYS 130 Ca 0.00 0.80 0.04 0.00 0.02 0.00 0.00 55.97 56.83 3fa4 s LYS 130 Cb 0.00 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 3fa4 s LYS 130 CO 0.00 0.16 -0.19 0.42 -0.92 0.00 0.00 175.35 174.82 3fa4 s ILE 131 N -1.94 1.62 0.34 2.17 1.01 -1.26 -4.98 121.20 118.16 3fa4 s ILE 131 Ca 0.54 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.50 3fa4 s ILE 131 Cb -0.11 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 3fa4 s ILE 131 CO 0.17 0.46 0.02 -0.76 0.00 0.00 0.00 174.94 174.83 3fa4 s LEU 132 N 0.39 2.98 0.19 2.97 1.43 -1.26 -0.70 118.68 124.68 3fa4 s LEU 132 Ca -0.14 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 51.96 3fa4 s LEU 132 Cb -0.16 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3fa4 s LEU 132 CO 0.06 -0.26 0.35 0.54 0.23 0.00 0.00 176.35 177.28 3fa4 s VAL 133 N -2.53 5.25 1.25 -1.59 0.11 -0.45 -4.62 120.40 117.82 3fa4 s VAL 133 Ca 0.35 -0.58 -0.15 0.00 -2.93 0.00 0.00 61.98 58.67 3fa4 s VAL 133 Cb 0.00 -3.76 0.32 0.00 -1.53 0.00 0.00 36.38 31.41 3fa4 s VAL 133 CO 0.19 -0.18 0.99 1.51 -3.33 0.00 0.00 175.10 174.28 3fa4 s ASP 134 N -3.35 0.22 0.18 3.54 -4.77 -1.26 -4.76 116.67 106.47 3fa4 s ASP 134 Ca 0.36 1.40 -0.11 0.00 -3.30 0.00 0.00 52.55 50.90 3fa4 s ASP 134 Cb -0.11 -2.14 0.08 0.00 -1.09 0.00 0.00 42.92 39.66 3fa4 s ASP 134 CO 0.29 -4.65 1.72 0.74 0.70 0.00 0.00 175.17 173.97 3fa4 h THR 135 N -2.93 1.24 -0.83 2.11 2.02 -1.98 -2.67 112.91 109.87 3fa4 h THR 135 Ca -0.60 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 3fa4 h THR 135 Cb 1.34 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 3fa4 h THR 135 CO 0.46 0.30 0.45 0.44 0.37 0.00 0.00 175.52 177.54 3fa4 h ASP 136 N 0.88 1.04 -0.05 4.18 3.32 -1.98 0.12 116.42 123.93 3fa4 h ASP 136 Ca 0.20 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3fa4 h ASP 136 Cb 0.25 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3fa4 h ASP 136 CO -0.01 0.84 -0.00 0.74 -1.72 0.00 0.00 179.24 179.09 3fa4 h THR 137 N 1.15 1.25 0.07 0.35 2.02 -1.92 -1.32 112.91 114.51 3fa4 h THR 137 Ca 0.29 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.70 3fa4 h THR 137 Cb 0.04 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3fa4 h THR 137 CO -0.05 0.21 -0.42 0.22 0.37 0.00 0.00 175.52 175.86 3fa4 h TYR 138 N -0.21 -1.23 -0.69 3.16 3.20 -1.29 -2.75 116.97 117.16 3fa4 h TYR 138 Ca 0.01 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.05 3fa4 h TYR 138 Cb 0.34 0.53 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 3fa4 h TYR 138 CO 0.03 -0.47 0.46 0.28 -1.64 0.00 0.00 178.16 176.83 3fa4 h VAL 139 N -0.58 0.82 -0.56 1.81 2.07 -0.77 0.77 116.25 119.81 3fa4 h VAL 139 Ca -0.00 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3fa4 h VAL 139 Cb 0.59 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3fa4 h VAL 139 CO -0.25 0.07 0.37 0.74 0.02 0.00 0.00 177.57 178.52 3fa4 h THR 140 N 0.36 1.13 0.09 2.57 2.02 -1.09 0.15 112.91 118.14 3fa4 h THR 140 Ca 0.33 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 3fa4 h THR 140 Cb 0.78 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3fa4 h THR 140 CO -0.09 0.13 -0.04 0.03 0.37 0.00 0.00 175.52 175.92 3fa4 h ARG 141 N 0.73 -0.12 0.07 6.66 3.08 -0.57 -2.07 114.38 122.16 3fa4 h ARG 141 Ca 0.21 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3fa4 h ARG 141 Cb -0.05 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3fa4 h ARG 141 CO -0.05 0.06 -0.11 0.82 -1.07 0.00 0.00 179.97 179.63 3fa4 h ILE 142 N -0.29 0.74 -0.56 2.04 1.08 -0.96 -2.29 117.51 117.27 3fa4 h ILE 142 Ca -0.01 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.57 3fa4 h ILE 142 Cb 0.24 0.74 -0.10 0.00 -3.07 0.00 0.00 36.82 34.63 3fa4 h ILE 142 CO 0.02 0.00 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.36 3fa4 h ARG 143 N -0.23 0.09 -0.84 2.37 2.43 -0.76 -2.02 114.38 115.42 3fa4 h ARG 143 Ca 0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3fa4 h ARG 143 Cb 0.24 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3fa4 h ARG 143 CO -0.06 0.06 0.45 0.00 -1.51 0.00 0.00 179.97 178.91 3fa4 h ALA 144 N 1.52 1.08 -0.26 2.80 0.00 -1.02 0.14 119.26 123.51 3fa4 h ALA 144 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fa4 h ALA 144 Cb 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fa4 h ALA 144 CO -0.50 0.60 0.17 0.00 0.00 0.00 0.00 179.25 179.52 3fa4 h ALA 145 N 1.24 0.33 -0.25 0.00 0.00 -1.16 -0.27 119.26 119.15 3fa4 h ALA 145 Ca 0.30 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3fa4 h ALA 145 Cb 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fa4 h ALA 145 CO -0.05 -0.19 -0.38 0.28 0.00 0.00 0.00 179.25 178.92 3fa4 h VAL 146 N 0.35 1.31 -0.57 0.00 2.07 -0.79 -2.14 116.25 116.49 3fa4 h VAL 146 Ca 0.10 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 3fa4 h VAL 146 Cb -0.02 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3fa4 h VAL 146 CO -0.02 0.50 -0.04 1.56 0.02 0.00 0.00 177.57 179.59 3fa4 h GLN 147 N 0.43 1.01 -0.52 1.57 4.20 -0.73 -2.38 115.11 118.69 3fa4 h GLN 147 Ca 0.02 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 3fa4 h GLN 147 Cb 0.97 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3fa4 h GLN 147 CO 0.09 1.01 0.17 0.00 -0.67 0.00 0.00 178.83 179.43 3fa4 h ALA 148 N 1.03 0.68 -0.24 3.87 0.00 -0.99 -2.47 119.26 121.14 3fa4 h ALA 148 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3fa4 h ALA 148 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fa4 h ALA 148 CO 0.03 0.33 0.15 -0.09 0.00 0.00 0.00 179.25 179.67 3fa4 h ARG 149 N 0.71 0.30 -0.87 0.00 2.43 -1.28 -2.96 114.38 112.71 3fa4 h ARG 149 Ca 0.17 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3fa4 h ARG 149 Cb 0.26 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3fa4 h ARG 149 CO -0.01 0.20 0.53 1.96 -1.51 0.00 0.00 179.97 181.14 3fa4 h GLN 150 N 0.31 1.18 -0.84 0.20 4.20 -1.33 -0.34 115.11 118.49 3fa4 h GLN 150 Ca 0.09 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.77 3fa4 h GLN 150 Cb -0.03 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 27.44 3fa4 h GLN 150 CO -0.02 0.82 0.55 0.00 -0.67 0.00 0.00 178.83 179.51 3fa4 h ARG 151 N 1.20 0.87 -0.02 1.46 3.08 -1.27 -2.90 114.38 116.80 3fa4 h ARG 151 Ca 0.31 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3fa4 h ARG 151 Cb -0.05 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.80 3fa4 h ARG 151 CO -0.06 0.58 -0.17 0.44 -1.07 0.00 0.00 179.97 179.68 3fa4 n ILE 152 N -4.50 0.00 -2.31 2.04 -5.35 -1.19 -4.98 119.36 103.06 3fa4 n ILE 152 Ca 0.13 -0.41 -0.04 0.00 -0.27 0.00 0.00 62.75 62.16 3fa4 n ILE 152 Cb 0.24 1.31 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 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 1.14 0.41 3.80 3.28 0.00 -0.84 -5.04 105.19 107.94 3fa4 n GLY 153 Ca 0.09 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.92 6.61 -0.06 1.61 0.15 -0.20 -4.97 113.70 113.92 3fa4 s SER 154 Ca 0.04 0.72 0.09 0.00 0.70 0.00 0.00 55.95 57.51 3fa4 s SER 154 Cb -0.02 -2.20 0.38 0.00 -1.71 0.00 0.00 66.02 62.46 3fa4 s SER 154 CO 0.05 0.23 1.21 0.47 1.20 0.00 0.00 173.24 176.40 3fa4 n ASP 155 N 2.61 2.72 -4.67 5.45 8.00 -1.26 -4.60 116.55 124.80 3fa4 n ASP 155 Ca -0.13 -2.24 -0.47 0.00 0.71 0.00 0.00 54.79 52.66 3fa4 n ASP 155 Cb 0.52 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.46 0.20 -2.61 0.53 3.06 -1.26 -4.45 119.36 115.29 3fa4 n ILE 156 Ca 0.13 -0.04 -0.42 0.00 -2.50 0.00 0.00 62.75 59.93 3fa4 n ILE 156 Cb 0.53 -1.63 -0.03 0.00 0.54 0.00 0.00 39.64 39.05 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 1.99 4.60 -0.49 9.51 1.01 -0.52 -4.98 120.40 131.51 3fa4 s VAL 157 Ca 0.84 1.87 -0.13 0.00 0.00 0.00 0.00 61.98 64.56 3fa4 s VAL 157 Cb -0.69 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 31.59 3fa4 s VAL 157 CO 0.43 0.06 0.41 -0.69 0.00 0.00 0.00 175.10 175.30 3fa4 s VAL 158 N 1.69 4.79 -0.16 2.92 1.01 -1.26 -2.38 120.40 127.00 3fa4 s VAL 158 Ca 0.52 -1.50 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 3fa4 s VAL 158 Cb -0.22 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3fa4 s VAL 158 CO 0.23 -0.75 0.81 -0.63 0.00 0.00 0.00 175.10 174.76 3fa4 s ILE 159 N 1.51 4.90 -0.46 2.22 1.01 -0.30 0.00 121.20 130.09 3fa4 s ILE 159 Ca 0.04 1.60 -0.16 0.00 0.00 0.00 0.00 60.65 62.14 3fa4 s ILE 159 Cb -0.27 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.13 3fa4 s ILE 159 CO 0.02 0.05 0.39 0.00 0.00 0.00 0.00 174.94 175.40 3fa4 s ALA 160 N 2.05 3.52 -0.06 9.38 0.00 0.20 -0.89 121.76 135.96 3fa4 s ALA 160 Ca 0.38 -1.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.35 3fa4 s ALA 160 Cb -0.17 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3fa4 s ALA 160 CO 0.13 -1.67 0.10 0.50 0.00 0.00 0.00 175.76 174.82 3fa4 s ARG 161 N 1.74 3.23 -0.06 0.00 3.52 0.58 -1.45 118.95 126.51 3fa4 s ARG 161 Ca 0.05 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 3fa4 s ARG 161 Cb -0.22 -2.99 0.01 0.00 -1.56 0.00 0.00 34.95 30.18 3fa4 s ARG 161 CO 0.08 0.71 -0.13 -0.08 -0.81 0.00 0.00 175.30 175.07 3fa4 s THR 162 N -1.09 1.18 -0.30 4.11 -1.32 -0.46 -3.71 115.64 114.04 3fa4 s THR 162 Ca 0.19 -0.53 0.12 0.00 -1.21 0.00 0.00 61.69 60.26 3fa4 s THR 162 Cb -0.12 -1.06 0.76 0.00 -1.51 0.00 0.00 72.50 70.58 3fa4 s THR 162 CO 0.09 0.36 1.70 0.47 -2.21 0.00 0.00 174.62 175.03 3fa4 n ASP 163 N 3.58 5.30 -0.75 8.08 8.00 -1.26 -2.41 116.55 137.09 3fa4 n ASP 163 Ca -0.21 -2.95 0.07 0.00 0.71 0.00 0.00 54.79 52.41 3fa4 n ASP 163 Cb 0.52 -0.69 0.20 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.42 2.19 0.13 -2.24 3.41 -1.26 -4.32 113.62 111.95 3fa4 n SER 164 Ca 0.29 -1.98 -0.14 0.00 -0.26 0.00 0.00 58.87 56.79 3fa4 n SER 164 Cb 1.20 -0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 64.81 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 2.43 -0.22 -2.30 1.04 5.85 -1.82 -1.86 115.31 118.43 3fa4 h LEU 165 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3fa4 h LEU 165 Cb 0.55 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3fa4 h LEU 165 CO 0.00 -0.10 0.00 1.67 -0.34 0.00 0.00 178.44 179.67 3fa4 n GLN 166 N -5.17 2.37 -0.12 1.25 -0.06 -1.26 -1.85 117.38 112.54 3fa4 n GLN 166 Ca -0.09 -2.17 -0.16 0.00 -2.00 0.00 0.00 57.00 52.59 3fa4 n GLN 166 Cb 0.15 -1.46 -0.11 0.00 -4.06 0.00 0.00 30.24 24.75 3fa4 n GLN 166 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 3fa4 n THR 167 N 1.33 1.35 0.00 1.69 5.66 -1.21 -4.78 114.28 118.32 3fa4 n THR 167 Ca 0.17 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 3fa4 n THR 167 Cb 0.56 -1.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 3fa4 n THR 167 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3fa4 n HIS 168 N -3.13 0.00 0.00 1.09 8.25 -0.74 -5.10 115.22 115.58 3fa4 n HIS 168 Ca -0.41 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 3fa4 n HIS 168 Cb 0.97 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.08 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 2.13 0.96 0.10 -1.41 0.00 -0.77 -4.65 105.19 101.55 3fa4 n GLY 169 Ca 0.00 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 0.22 -0.19 1.61 3.20 -1.84 -0.86 116.97 119.11 3fa4 h TYR 170 Ca 0.00 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 3fa4 h TYR 170 Cb 0.00 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3fa4 h TYR 170 CO 0.00 0.23 -0.35 0.93 -1.64 0.00 0.00 178.16 177.33 3fa4 h GLU 171 N 0.14 0.40 -0.17 1.82 5.08 -1.97 -1.52 114.58 118.37 3fa4 h GLU 171 Ca 0.05 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 3fa4 h GLU 171 Cb 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3fa4 h GLU 171 CO -0.01 0.70 -0.51 1.49 -1.00 0.00 0.00 179.01 179.69 3fa4 h GLU 172 N 0.34 0.46 -0.46 2.33 4.57 -1.81 -2.53 114.58 117.49 3fa4 h GLU 172 Ca 0.04 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3fa4 h GLU 172 Cb 0.78 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 3fa4 h GLU 172 CO 0.06 0.86 0.29 0.77 -1.18 0.00 0.00 179.01 179.81 3fa4 h SER 173 N 0.36 0.48 -0.07 1.04 0.02 -0.21 -2.43 113.55 112.74 3fa4 h SER 173 Ca 0.01 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3fa4 h SER 173 Cb 1.01 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 3fa4 h SER 173 CO 0.09 0.34 0.03 0.58 -1.14 0.00 0.00 176.83 176.73 3fa4 h VAL 174 N 0.58 1.16 -1.00 2.27 2.07 -1.35 -0.70 116.25 119.28 3fa4 h VAL 174 Ca 0.18 -0.47 0.20 0.00 0.82 0.00 0.00 66.70 67.43 3fa4 h VAL 174 Cb -0.02 1.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 3fa4 h VAL 174 CO -0.06 0.13 0.61 0.00 0.02 0.00 0.00 177.57 178.27 3fa4 h ALA 175 N 0.85 1.79 -0.18 1.67 0.00 -1.45 0.01 119.26 121.95 3fa4 h ALA 175 Ca 0.02 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3fa4 h ALA 175 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fa4 h ALA 175 CO -0.00 -0.16 -0.68 0.00 0.00 0.00 0.00 179.25 178.40 3fa4 h ARG 176 N 0.68 0.73 -0.00 0.00 3.08 -1.03 -1.27 114.38 116.57 3fa4 h ARG 176 Ca 0.57 -0.54 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3fa4 h ARG 176 Cb 1.00 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3fa4 h ARG 176 CO -0.35 1.16 0.00 -0.07 -1.07 0.00 0.00 179.97 179.64 3fa4 h LEU 177 N 0.53 0.00 -1.13 3.04 3.38 -0.47 -1.03 115.31 119.63 3fa4 h LEU 177 Ca -0.02 -0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.09 3fa4 h LEU 177 Cb 1.29 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.94 3fa4 h LEU 177 CO 0.14 0.07 0.62 0.03 0.09 0.00 0.00 178.44 179.39 3fa4 h ARG 178 N -0.07 0.59 -0.00 1.13 3.08 -1.08 0.17 114.38 118.20 3fa4 h ARG 178 Ca 0.00 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 3fa4 h ARG 178 Cb 0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3fa4 h ARG 178 CO -0.00 0.39 -0.77 0.00 -1.07 0.00 0.00 179.97 178.52 3fa4 h ALA 179 N 1.66 0.72 -0.12 0.04 0.00 -0.84 -2.14 119.26 118.58 3fa4 h ALA 179 Ca 0.59 -0.69 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 3fa4 h ALA 179 Cb 1.13 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.82 3fa4 h ALA 179 CO -0.37 0.94 -0.71 0.00 0.00 0.00 0.00 179.25 179.11 3fa4 h ALA 180 N 1.20 0.24 -0.20 0.00 0.00 -0.75 -3.01 119.26 116.73 3fa4 h ALA 180 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.35 3fa4 h ALA 180 Cb 1.36 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3fa4 h ALA 180 CO 0.10 0.58 0.02 -0.09 0.00 0.00 0.00 179.25 179.86 3fa4 h ARG 181 N 0.37 0.09 -0.94 0.00 2.43 -0.64 -2.06 114.38 113.63 3fa4 h ARG 181 Ca -0.06 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.30 3fa4 h ARG 181 Cb 1.35 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.81 3fa4 h ARG 181 CO 0.15 0.06 0.60 -0.44 -1.51 0.00 0.00 179.97 178.83 3fa4 h ASP 182 N 0.09 0.54 -0.14 -3.80 3.32 -1.43 0.58 116.42 115.58 3fa4 h ASP 182 Ca 0.09 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3fa4 h ASP 182 Cb 0.11 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3fa4 h ASP 182 CO -0.14 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 3fa4 n ALA 183 N -2.45 2.52 0.00 3.45 0.00 -0.98 -4.91 120.51 118.13 3fa4 n ALA 183 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3fa4 n ALA 183 Cb 0.64 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.89 0.97 3.75 0.00 0.00 0.19 -4.39 105.19 106.61 3fa4 n GLY 184 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3fa4 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa4 n ALA 185 N -1.55 1.83 0.03 4.61 0.00 -0.81 -4.91 120.51 119.71 3fa4 n ALA 185 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 3fa4 n ALA 185 Cb 0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 19.45 17.00 3fa4 n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa4 n ASP 186 N -0.48 0.87 -3.75 0.00 8.00 0.10 -4.64 116.55 116.66 3fa4 n ASP 186 Ca 0.07 0.38 -0.13 0.00 0.71 0.00 0.00 54.79 55.82 3fa4 n ASP 186 Cb 0.43 0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.58 3fa4 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa4 s VAL 187 N -2.93 0.04 0.14 2.53 1.01 -1.21 -4.29 120.40 115.69 3fa4 s VAL 187 Ca -0.03 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3fa4 s VAL 187 Cb 0.09 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 3fa4 s VAL 187 CO 0.81 -0.17 -0.07 -0.83 0.00 0.00 0.00 175.10 174.85 3fa4 s GLY 188 N -0.82 1.77 -0.24 4.51 0.00 -0.21 -0.62 107.32 111.71 3fa4 s GLY 188 Ca -0.09 -1.32 -0.04 0.00 0.00 0.00 0.00 44.72 43.27 3fa4 s GLY 188 CO 0.03 -1.32 0.10 -0.12 0.00 0.00 0.00 173.10 171.80 3fa4 s PHE 189 N -1.46 0.45 -0.44 1.90 5.99 -0.53 -1.63 117.98 122.27 3fa4 s PHE 189 Ca 0.24 -0.73 -0.18 0.00 0.00 0.00 0.00 56.93 56.26 3fa4 s PHE 189 Cb -0.10 -0.90 0.03 0.00 0.00 0.00 0.00 43.02 42.05 3fa4 s PHE 189 CO 0.16 -0.69 0.50 -1.17 -0.00 0.00 0.00 175.22 174.02 3fa4 s LEU 190 N 2.05 4.82 0.24 6.12 0.20 -1.26 -1.35 118.68 129.50 3fa4 s LEU 190 Ca 0.05 -0.65 -0.30 0.00 0.69 0.00 0.00 54.13 53.93 3fa4 s LEU 190 Cb -0.16 -2.46 -0.09 0.00 -0.43 0.00 0.00 46.19 43.05 3fa4 s LEU 190 CO -0.23 -0.66 1.04 -0.70 -0.29 0.00 0.00 176.35 175.51 3fa4 s GLU 191 N 2.33 4.71 -0.43 1.98 2.56 -1.01 -4.06 118.70 124.78 3fa4 s GLU 191 Ca 0.14 1.66 0.00 0.00 0.00 0.00 0.00 54.97 56.78 3fa4 s GLU 191 Cb -0.17 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.72 3fa4 s GLU 191 CO 0.14 0.30 0.00 0.41 -0.56 0.00 0.00 175.26 175.55 3fa4 n GLY 192 N 1.49 0.24 3.46 -1.50 0.00 -1.26 -4.63 105.19 102.99 3fa4 n GLY 192 Ca -0.01 -0.70 -0.47 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.86 1.99 0.04 -0.61 5.41 -1.26 -4.71 119.36 116.36 3fa4 n ILE 193 Ca -0.06 -0.50 0.06 0.00 1.00 0.00 0.00 62.75 63.26 3fa4 n ILE 193 Cb 0.50 -0.33 -0.10 0.00 -0.71 0.00 0.00 39.64 39.00 3fa4 n ILE 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3fa4 n THR 194 N 0.08 0.00 -3.98 1.39 -1.04 -1.26 -3.06 114.28 106.41 3fa4 n THR 194 Ca 0.15 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.05 61.80 3fa4 n THR 194 Cb 0.27 0.27 -0.09 0.00 -1.82 0.00 0.00 70.33 68.96 3fa4 n THR 194 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3fa4 s SER 195 N -3.36 0.30 0.26 8.00 1.04 -1.26 -4.62 113.70 114.06 3fa4 s SER 195 Ca -0.04 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 3fa4 s SER 195 Cb 0.08 0.23 0.33 0.00 0.10 0.00 0.00 66.02 66.77 3fa4 s SER 195 CO 0.52 -0.58 1.72 -0.09 0.98 0.00 0.00 173.24 175.79 3fa4 h ARG 196 N 3.32 0.68 -0.03 4.02 2.43 -1.97 -2.78 114.38 120.06 3fa4 h ARG 196 Ca -0.33 -0.22 -0.21 0.00 -0.81 0.00 0.00 59.98 58.40 3fa4 h ARG 196 Cb 1.17 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3fa4 h ARG 196 CO 0.58 0.79 -0.80 1.05 -1.51 0.00 0.00 179.97 180.08 3fa4 h GLU 197 N 0.62 0.59 -0.62 0.20 9.09 -2.00 -3.05 114.58 119.40 3fa4 h GLU 197 Ca 0.10 -0.60 0.13 0.00 0.05 0.00 0.00 59.36 59.05 3fa4 h GLU 197 Cb 0.58 0.16 -0.10 0.00 -1.65 0.00 0.00 28.75 27.74 3fa4 h GLU 197 CO 0.04 1.21 0.01 1.98 0.05 0.00 0.00 179.01 182.30 3fa4 h MET 198 N 0.20 0.12 -0.88 1.06 1.85 -1.97 -1.66 114.93 113.64 3fa4 h MET 198 Ca -0.09 -0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.12 3fa4 h MET 198 Cb 1.47 -0.03 -0.07 0.00 0.43 0.00 0.00 31.60 33.41 3fa4 h MET 198 CO 0.16 0.08 0.57 0.00 -0.40 0.00 0.00 176.91 177.32 3fa4 h ALA 199 N 1.56 1.78 0.00 0.39 0.00 -1.38 -0.69 119.26 120.93 3fa4 h ALA 199 Ca 0.33 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 3fa4 h ALA 199 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3fa4 h ALA 199 CO -0.53 -0.00 -0.56 -0.09 0.00 0.00 0.00 179.25 178.07 3fa4 h ARG 200 N 0.74 0.00 -0.34 0.00 2.43 -1.42 -3.08 114.38 112.71 3fa4 h ARG 200 Ca 0.44 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.57 3fa4 h ARG 200 Cb 0.63 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3fa4 h ARG 200 CO -0.20 0.56 0.08 0.37 -1.51 0.00 0.00 179.97 179.28 3fa4 h GLN 201 N 0.00 0.54 -0.40 0.20 4.15 -0.31 -2.65 115.11 116.64 3fa4 h GLN 201 Ca -0.01 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.20 3fa4 h GLN 201 Cb 1.32 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3fa4 h GLN 201 CO 0.07 0.60 -0.09 -0.24 -1.93 0.00 0.00 178.83 177.24 3fa4 h VAL 202 N 0.39 1.25 -0.83 2.39 3.04 -1.20 0.48 116.25 121.78 3fa4 h VAL 202 Ca 0.11 -1.09 0.04 0.00 -1.01 0.00 0.00 66.70 64.75 3fa4 h VAL 202 Cb 0.30 1.04 -0.05 0.00 -2.01 0.00 0.00 31.29 30.57 3fa4 h VAL 202 CO 0.00 0.37 0.54 0.40 -1.01 0.00 0.00 177.57 177.88 3fa4 h ILE 203 N 0.64 1.11 -0.01 3.17 2.04 -1.56 -1.04 117.51 121.87 3fa4 h ILE 203 Ca 0.12 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3fa4 h ILE 203 Cb 0.53 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3fa4 h ILE 203 CO 0.03 0.18 -0.06 -0.61 0.00 0.00 0.00 178.15 177.69 3fa4 h GLN 204 N 0.99 0.05 -0.49 2.37 5.75 -0.84 -3.10 115.11 119.84 3fa4 h GLN 204 Ca 0.34 -0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.93 3fa4 h GLN 204 Cb 0.09 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 3fa4 h GLN 204 CO -0.11 0.77 0.38 -0.44 -2.65 0.00 0.00 178.83 176.79 3fa4 h ASP 205 N -0.65 0.00 -1.27 -0.69 3.32 0.13 -2.08 116.42 115.17 3fa4 h ASP 205 Ca -0.01 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3fa4 h ASP 205 Cb 0.79 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.92 3fa4 h ASP 205 CO 0.01 0.00 -0.78 0.18 -1.72 0.00 0.00 179.24 176.94 3fa4 n LEU 206 N -4.19 4.63 -4.75 1.55 4.77 -0.41 -5.06 117.00 113.54 3fa4 n LEU 206 Ca 0.09 -5.01 -0.41 0.00 -0.03 0.00 0.00 56.01 50.64 3fa4 n LEU 206 Cb 0.59 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3fa4 n LEU 206 CO 0.34 2.17 1.21 0.00 -1.33 0.00 0.00 177.39 179.78 3fa4 s ALA 207 N -3.55 3.72 0.00 -1.18 0.00 -0.79 -1.55 121.76 118.42 3fa4 s ALA 207 Ca 0.48 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.94 3fa4 s ALA 207 Cb 0.40 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3fa4 s ALA 207 CO -0.12 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3fa4 n GLY 208 N 2.29 0.98 3.23 0.00 0.00 -1.26 -5.02 105.19 105.41 3fa4 n GLY 208 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.93 2.36 0.26 1.61 -0.00 -0.59 -5.09 118.94 113.55 3fa4 s TRP 209 Ca 0.00 -0.81 -0.30 0.00 -0.00 0.00 0.00 56.10 55.00 3fa4 s TRP 209 Cb 0.00 -1.57 -0.10 0.00 -0.00 0.00 0.00 33.47 31.81 3fa4 s TRP 209 CO 0.00 -0.29 1.32 -2.14 -0.00 0.00 0.00 176.95 175.84 3fa4 s PRO 210 N 0.07 4.37 0.09 5.86 0.02 -1.26 -4.89 135.00 139.26 3fa4 s PRO 210 Ca -0.10 2.14 0.07 0.00 0.02 0.00 0.00 61.00 63.13 3fa4 s PRO 210 Cb -0.15 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3fa4 s PRO 210 CO 0.05 -0.23 -0.10 -0.51 -0.33 0.00 0.00 177.00 175.88 3fa4 s LEU 211 N -0.79 3.06 -0.19 -5.54 1.43 -1.26 -1.04 118.68 114.35 3fa4 s LEU 211 Ca 0.54 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.21 3fa4 s LEU 211 Cb -0.38 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3fa4 s LEU 211 CO 0.44 0.19 0.07 -0.22 0.23 0.00 0.00 176.35 177.06 3fa4 s LEU 212 N -2.12 3.83 -0.14 1.79 0.20 -0.64 -0.35 118.68 121.25 3fa4 s LEU 212 Ca 0.21 0.07 -0.16 0.00 0.69 0.00 0.00 54.13 54.94 3fa4 s LEU 212 Cb -0.11 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 3fa4 s LEU 212 CO 0.13 0.16 0.39 -0.22 -0.29 0.00 0.00 176.35 176.52 3fa4 s LEU 213 N 0.48 4.26 -0.46 -0.68 2.96 0.26 -4.42 118.68 121.07 3fa4 s LEU 213 Ca 0.04 0.66 -0.17 0.00 -0.22 0.00 0.00 54.13 54.44 3fa4 s LEU 213 Cb -0.13 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.07 3fa4 s LEU 213 CO 0.01 0.05 0.45 0.21 -1.32 0.00 0.00 176.35 175.74 3fa4 s ASN 214 N 0.56 6.18 -0.91 3.68 2.47 -1.26 -0.48 114.94 125.18 3fa4 s ASN 214 Ca 0.21 -0.98 -0.04 0.00 0.42 0.00 0.00 52.86 52.47 3fa4 s ASN 214 Cb -0.14 -2.22 0.23 0.00 -1.45 0.00 0.00 41.25 37.67 3fa4 s ASN 214 CO 0.07 -0.67 0.81 -0.32 -3.72 0.00 0.00 177.10 173.28 3fa4 s MET 215 N 2.04 3.42 -0.30 0.43 -2.45 0.11 -4.92 119.30 117.63 3fa4 s MET 215 Ca 0.09 -3.14 -0.18 0.00 -1.25 0.00 0.00 55.69 51.22 3fa4 s MET 215 Cb -0.20 -4.09 -0.02 0.00 1.25 0.00 0.00 34.83 31.77 3fa4 s MET 215 CO 0.10 -1.25 0.52 0.08 1.05 0.00 0.00 175.02 175.52 3fa4 s VAL 216 N -1.10 5.04 0.54 10.11 1.01 -1.26 -4.18 120.40 130.56 3fa4 s VAL 216 Ca 0.26 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 3fa4 s VAL 216 Cb -0.09 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3fa4 s VAL 216 CO -0.10 -0.06 0.97 -1.61 0.00 0.00 0.00 175.10 174.30 3fa4 s GLU 217 N 2.37 3.79 -1.18 2.72 2.02 -1.26 -4.25 118.70 122.91 3fa4 s GLU 217 Ca 0.20 0.81 0.00 0.00 0.02 0.00 0.00 54.97 56.00 3fa4 s GLU 217 Cb -0.15 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.93 3fa4 s GLU 217 CO 0.11 -0.35 0.00 0.72 0.02 0.00 0.00 175.26 175.76 3fa4 n HIS 218 N -2.00 -0.60 0.00 1.61 8.25 -1.26 -5.01 115.22 116.21 3fa4 n HIS 218 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3fa4 n HIS 218 Cb 0.54 -2.90 0.00 0.00 1.12 0.00 0.00 29.99 28.75 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 -1.03 5.12 0.26 -1.41 0.00 -1.26 -5.03 105.19 101.83 3fa4 n GLY 219 Ca -0.16 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.62 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 1.00 1.59 -3.08 4.61 0.00 -1.88 -3.43 119.26 118.07 3fa4 h ALA 220 Ca 0.00 -0.08 -0.64 0.00 0.00 0.00 0.00 54.91 54.19 3fa4 h ALA 220 Cb 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.58 3fa4 h ALA 220 CO 0.00 0.11 -0.60 0.99 0.00 0.00 0.00 179.25 179.75 3fa4 s THR 221 N -4.59 4.51 1.00 0.00 2.01 -1.17 -4.14 115.64 113.26 3fa4 s THR 221 Ca -0.04 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 3fa4 s THR 221 Cb 0.15 -3.08 0.09 0.00 0.01 0.00 0.00 72.50 69.67 3fa4 s THR 221 CO 0.62 0.38 0.45 -2.65 -0.69 0.00 0.00 174.62 172.74 3fa4 n PRO 222 N 4.38 -0.78 -2.79 4.92 -0.02 -1.26 -4.41 135.00 135.05 3fa4 n PRO 222 Ca -0.16 -0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 60.70 3fa4 n PRO 222 Cb 0.52 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 3fa4 n PRO 222 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3fa4 s SER 223 N -2.08 6.19 -0.28 2.55 0.01 -1.26 -4.96 113.70 113.86 3fa4 s SER 223 Ca 0.59 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 57.00 3fa4 s SER 223 Cb -0.20 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.61 3fa4 s SER 223 CO 0.66 -1.51 0.02 -0.63 0.41 0.00 0.00 173.24 172.19 3fa4 s ILE 224 N 4.41 3.44 0.74 1.44 1.01 -1.26 -5.09 121.20 125.89 3fa4 s ILE 224 Ca 0.26 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 3fa4 s ILE 224 Cb -0.14 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.57 3fa4 s ILE 224 CO 0.12 0.09 1.15 -0.94 0.00 0.00 0.00 174.94 175.36 3fa4 s SER 225 N 1.40 4.36 0.27 3.58 1.04 -1.26 -4.79 113.70 118.31 3fa4 s SER 225 Ca 0.01 2.14 -0.04 0.00 0.48 0.00 0.00 55.95 58.54 3fa4 s SER 225 Cb -0.17 -2.56 0.56 0.00 0.10 0.00 0.00 66.02 63.94 3fa4 s SER 225 CO -0.00 -2.14 1.61 0.00 0.98 0.00 0.00 173.24 173.69 3fa4 h ALA 226 N -0.52 0.94 0.46 5.32 0.00 -1.98 0.60 119.26 124.07 3fa4 h ALA 226 Ca -0.46 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3fa4 h ALA 226 Cb 1.27 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3fa4 h ALA 226 CO 0.50 -0.47 -0.25 0.00 0.00 0.00 0.00 179.25 179.03 3fa4 h ALA 227 N 1.82 -0.66 -0.20 0.00 0.00 -1.99 -1.62 119.26 116.61 3fa4 h ALA 227 Ca 0.49 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3fa4 h ALA 227 Cb 0.91 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3fa4 h ALA 227 CO -0.77 -0.88 -0.35 1.49 0.00 0.00 0.00 179.25 178.74 3fa4 h GLU 228 N -0.66 0.43 -0.41 0.00 4.81 -1.89 -0.23 114.58 116.63 3fa4 h GLU 228 Ca -0.06 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 3fa4 h GLU 228 Cb 0.53 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3fa4 h GLU 228 CO 0.07 0.72 0.05 0.00 -0.73 0.00 0.00 179.01 179.13 3fa4 h ALA 229 N 1.27 1.32 -0.40 2.92 0.00 -0.82 -1.92 119.26 121.64 3fa4 h ALA 229 Ca 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3fa4 h ALA 229 Cb 0.79 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3fa4 h ALA 229 CO 0.06 0.47 0.08 -0.22 0.00 0.00 0.00 179.25 179.65 3fa4 h LYS 230 N 0.61 0.64 0.00 0.00 3.64 -0.98 -1.94 116.57 118.55 3fa4 h LYS 230 Ca 0.13 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fa4 h LYS 230 Cb 0.30 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3fa4 h LYS 230 CO 0.00 0.68 -0.01 1.49 -2.27 0.00 0.00 179.45 179.35 3fa4 h GLU 231 N 0.50 0.00 0.00 1.90 4.81 -0.41 -1.63 114.58 119.75 3fa4 h GLU 231 Ca 0.12 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3fa4 h GLU 231 Cb 0.33 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3fa4 h GLU 231 CO 0.00 0.01 -0.38 0.52 -0.73 0.00 0.00 179.01 178.43 3fa4 h MET 232 N 0.00 0.00 0.00 1.92 2.86 -1.28 -3.47 114.93 114.96 3fa4 h MET 232 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fa4 h MET 232 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3fa4 h MET 232 CO 0.00 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.76 3fa4 n GLY 233 N 0.53 1.18 3.75 8.32 0.00 -0.61 -4.93 105.19 113.43 3fa4 n GLY 233 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 2.44 -0.07 1.61 0.40 -0.74 -4.69 117.98 114.93 3fa4 s PHE 234 Ca 0.00 1.59 0.10 0.00 -0.60 0.00 0.00 56.93 58.02 3fa4 s PHE 234 Cb 0.00 -3.13 -0.14 0.00 0.51 0.00 0.00 43.02 40.25 3fa4 s PHE 234 CO 0.00 -1.95 0.11 0.54 0.70 0.00 0.00 175.22 174.62 3fa4 n ARG 235 N -3.34 1.63 -4.21 0.44 5.12 0.53 -4.64 116.66 112.19 3fa4 n ARG 235 Ca 0.10 -0.04 -0.17 0.00 -1.93 0.00 0.00 57.85 55.81 3fa4 n ARG 235 Cb 0.52 -1.26 -0.15 0.00 -1.16 0.00 0.00 32.46 30.41 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 -2.43 0.51 -0.14 0.55 1.01 -1.14 -0.53 121.20 119.04 3fa4 s ILE 236 Ca -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3fa4 s ILE 236 Cb 0.04 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.07 3fa4 s ILE 236 CO 0.44 0.16 -0.20 -0.51 0.00 0.00 0.00 174.94 174.84 3fa4 s ILE 237 N 0.12 1.88 0.01 2.92 2.07 -0.45 -0.58 121.20 127.17 3fa4 s ILE 237 Ca -0.01 -0.86 -0.01 0.00 -1.41 0.00 0.00 60.65 58.36 3fa4 s ILE 237 Cb -0.06 -1.68 -0.04 0.00 0.13 0.00 0.00 42.46 40.81 3fa4 s ILE 237 CO -0.00 0.51 0.13 0.27 -1.91 0.00 0.00 174.94 173.94 3fa4 s ILE 238 N 0.94 5.03 -0.58 2.00 -4.36 0.37 -0.96 121.20 123.64 3fa4 s ILE 238 Ca -0.05 -0.36 0.04 0.00 -0.26 0.00 0.00 60.65 60.02 3fa4 s ILE 238 Cb -0.15 -3.35 0.16 0.00 1.25 0.00 0.00 42.46 40.37 3fa4 s ILE 238 CO -0.03 0.29 0.39 -0.36 0.24 0.00 0.00 174.94 175.47 3fa4 s PHE 239 N -1.30 2.82 0.54 1.37 0.40 -0.79 0.09 117.98 121.10 3fa4 s PHE 239 Ca 0.27 -2.99 0.25 0.00 -0.60 0.00 0.00 56.93 53.86 3fa4 s PHE 239 Cb -0.12 -2.27 1.41 0.00 0.51 0.00 0.00 43.02 42.55 3fa4 s PHE 239 CO 0.18 -0.66 2.00 -1.35 0.70 0.00 0.00 175.22 176.09 3fa4 h PRO 240 N 5.80 0.00 -0.34 0.24 0.11 -1.86 0.57 132.00 136.52 3fa4 h PRO 240 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3fa4 h PRO 240 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3fa4 h PRO 240 CO 0.61 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.59 3fa4 n PHE 241 N -4.31 1.05 0.23 0.65 3.01 -1.26 -4.45 117.46 112.38 3fa4 n PHE 241 Ca 0.09 -0.78 0.07 0.00 1.01 0.00 0.00 57.45 57.84 3fa4 n PHE 241 Cb 0.58 -0.29 0.56 0.00 -0.01 0.00 0.00 39.48 40.32 3fa4 n PHE 241 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fa4 h ALA 242 N 2.30 1.58 0.00 4.37 0.00 -1.63 -2.90 119.26 122.98 3fa4 h ALA 242 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 54.91 54.35 3fa4 h ALA 242 Cb 1.40 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 3fa4 h ALA 242 CO 0.22 0.22 -2.35 0.00 0.00 0.00 0.00 179.25 177.34 3fa4 n ALA 243 N -2.45 1.43 -0.13 0.00 0.00 -1.21 -4.57 120.51 113.58 3fa4 n ALA 243 Ca -0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 53.44 52.41 3fa4 n ALA 243 Cb 0.25 0.18 0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.87 -0.34 0.06 0.00 3.38 -1.84 -0.13 115.31 115.57 3fa4 h LEU 244 Ca -0.61 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3fa4 h LEU 244 Cb 1.54 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 3fa4 h LEU 244 CO -0.37 -0.12 -0.20 1.23 0.09 0.00 0.00 178.44 179.07 3fa4 h GLY 245 N 0.03 -1.17 0.60 0.83 0.00 -1.80 -0.62 103.07 100.96 3fa4 h GLY 245 Ca 0.21 0.55 0.12 0.00 0.00 0.00 0.00 47.33 48.21 3fa4 h GLY 245 CO -0.42 -0.38 0.58 -2.55 0.00 0.00 0.00 176.54 173.77 3fa4 h PRO 246 N -0.30 0.78 -0.14 4.80 0.11 -1.76 -2.86 132.00 132.64 3fa4 h PRO 246 Ca -0.01 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3fa4 h PRO 246 Cb 0.29 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3fa4 h PRO 246 CO -0.10 0.52 0.06 0.00 -0.21 0.00 0.00 178.00 178.26 3fa4 h ALA 247 N 1.58 0.18 -0.64 -0.75 0.00 -0.89 -2.83 119.26 115.90 3fa4 h ALA 247 Ca 0.44 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3fa4 h ALA 247 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3fa4 h ALA 247 CO -0.20 -0.24 0.22 0.28 0.00 0.00 0.00 179.25 179.31 3fa4 h VAL 248 N 0.07 1.23 0.01 0.00 2.07 -0.96 -2.12 116.25 116.56 3fa4 h VAL 248 Ca 0.05 -0.78 -0.20 0.00 0.82 0.00 0.00 66.70 66.59 3fa4 h VAL 248 Cb 0.16 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3fa4 h VAL 248 CO -0.00 0.30 -0.91 0.00 0.02 0.00 0.00 177.57 176.98 3fa4 h ALA 249 N 1.31 0.50 -0.07 1.67 0.00 -1.51 -0.95 119.26 120.22 3fa4 h ALA 249 Ca 0.21 -0.78 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 3fa4 h ALA 249 Cb 0.23 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3fa4 h ALA 249 CO -0.01 1.02 -0.68 0.00 0.00 0.00 0.00 179.25 179.58 3fa4 h ALA 250 N 1.03 0.17 -0.50 0.00 0.00 -1.48 -2.57 119.26 115.91 3fa4 h ALA 250 Ca -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3fa4 h ALA 250 Cb 1.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3fa4 h ALA 250 CO 0.13 0.48 0.24 0.52 0.00 0.00 0.00 179.25 180.62 3fa4 h MET 251 N 0.19 0.72 0.00 0.00 2.86 -1.40 -0.46 114.93 116.84 3fa4 h MET 251 Ca -0.07 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3fa4 h MET 251 Cb 1.34 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.81 3fa4 h MET 251 CO 0.14 0.60 -0.46 -0.09 1.06 0.00 0.00 176.91 178.16 3fa4 h ARG 252 N 0.66 -0.59 -0.61 1.72 2.43 -1.22 -1.46 114.38 115.30 3fa4 h ARG 252 Ca 0.17 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3fa4 h ARG 252 Cb 0.13 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3fa4 h ARG 252 CO -0.02 -0.39 0.29 0.93 -1.51 0.00 0.00 179.97 179.26 3fa4 h GLU 253 N -0.61 0.88 -0.95 0.20 5.08 -1.42 -2.16 114.58 115.60 3fa4 h GLU 253 Ca 0.04 -0.13 0.15 0.00 -1.00 0.00 0.00 59.36 58.41 3fa4 h GLU 253 Cb 0.68 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 3fa4 h GLU 253 CO -0.33 0.72 0.57 0.00 -1.00 0.00 0.00 179.01 178.96 3fa4 h ALA 254 N 1.12 1.49 0.15 3.43 0.00 -0.99 -2.17 119.26 122.30 3fa4 h ALA 254 Ca 0.21 0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.89 3fa4 h ALA 254 Cb 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.83 3fa4 h ALA 254 CO -0.03 0.04 -1.29 0.52 0.00 0.00 0.00 179.25 178.50 3fa4 h MET 255 N 0.81 0.42 0.07 0.00 2.86 -1.12 -1.64 114.93 116.33 3fa4 h MET 255 Ca 0.51 -0.65 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3fa4 h MET 255 Cb 0.67 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3fa4 h MET 255 CO -0.33 1.30 -0.03 0.93 1.06 0.00 0.00 176.91 179.83 3fa4 h GLU 256 N 0.14 -0.09 -0.97 1.72 5.08 -1.36 -0.19 114.58 118.91 3fa4 h GLU 256 Ca -0.17 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.34 3fa4 h GLU 256 Cb 1.99 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 31.17 3fa4 h GLU 256 CO 0.23 0.13 0.58 -0.22 -1.00 0.00 0.00 179.01 178.73 3fa4 h LYS 257 N -0.31 0.82 -0.21 2.33 3.64 -1.49 0.32 116.57 121.67 3fa4 h LYS 257 Ca -0.01 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 3fa4 h LYS 257 Cb 0.27 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3fa4 h LYS 257 CO 0.02 0.54 -0.19 1.25 -2.27 0.00 0.00 179.45 178.80 3fa4 h LEU 258 N 0.84 0.35 -0.25 5.20 5.85 -0.99 0.70 115.31 127.02 3fa4 h LEU 258 Ca 0.51 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.94 3fa4 h LEU 258 Cb 0.64 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3fa4 h LEU 258 CO -0.32 0.56 -0.60 0.50 -0.34 0.00 0.00 178.44 178.24 3fa4 h LYS 259 N 0.33 0.85 0.17 1.25 1.63 0.08 0.78 116.57 121.65 3fa4 h LYS 259 Ca 0.06 -0.58 -0.01 0.00 -0.85 0.00 0.00 60.65 59.27 3fa4 h LYS 259 Cb 0.53 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3fa4 h LYS 259 CO 0.04 1.21 -0.08 0.00 -3.45 0.00 0.00 179.45 177.16 3fa4 h ARG 260 N 0.62 -0.22 0.00 1.90 3.08 -0.88 -3.38 114.38 115.51 3fa4 h ARG 260 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3fa4 h ARG 260 Cb 1.22 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3fa4 h ARG 260 CO 0.13 0.14 -0.51 -0.44 -1.07 0.00 0.00 179.97 178.22 3fa4 h ASP 261 N -0.61 0.00 0.00 7.04 3.32 -0.87 -3.48 116.42 121.82 3fa4 h ASP 261 Ca -0.02 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3fa4 h ASP 261 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3fa4 h ASP 261 CO 0.04 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 3fa4 n GLY 262 N 1.27 0.16 3.16 2.75 0.00 0.26 -4.98 105.19 107.81 3fa4 n GLY 262 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.36 0.04 0.18 -0.61 2.07 -1.25 -5.06 121.20 115.20 3fa4 s ILE 263 Ca 0.00 -0.32 -0.06 0.00 -1.41 0.00 0.00 60.65 58.86 3fa4 s ILE 263 Cb 0.00 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 3fa4 s ILE 263 CO 0.00 -0.18 1.51 -0.65 -1.91 0.00 0.00 174.94 173.72 3fa4 h PRO 264 N 4.82 0.69 -0.79 3.50 0.11 -1.92 -3.41 132.00 135.02 3fa4 h PRO 264 Ca -0.28 -0.39 -0.08 0.00 0.11 0.00 0.00 66.00 65.35 3fa4 h PRO 264 Cb 1.19 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fa4 h PRO 264 CO 0.38 1.01 -0.11 0.41 -0.21 0.00 0.00 178.00 179.47 3fa4 n GLY 265 N 0.16 0.25 3.76 -0.55 0.00 -1.26 -4.67 105.19 102.88 3fa4 n GLY 265 Ca -0.03 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.36 4.07 0.39 0.99 1.43 -1.26 -4.97 118.68 117.97 3fa4 s LEU 266 Ca 0.02 2.71 -0.24 0.00 -1.03 0.00 0.00 54.13 55.59 3fa4 s LEU 266 Cb -0.01 -4.05 -0.13 0.00 0.03 0.00 0.00 46.19 42.04 3fa4 s LEU 266 CO 0.02 -1.13 0.64 -0.67 0.23 0.00 0.00 176.35 175.44 3fa4 n ASP 267 N -0.32 -0.46 0.05 2.29 -0.08 -1.26 -4.83 116.55 111.93 3fa4 n ASP 267 Ca 0.06 0.97 0.22 0.00 -1.51 0.00 0.00 54.79 54.53 3fa4 n ASP 267 Cb 0.44 -1.14 0.72 0.00 2.34 0.00 0.00 41.12 43.47 3fa4 n ASP 267 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3fa4 h LYS 268 N 1.02 0.00 0.00 -0.67 3.64 -2.06 -0.86 116.57 117.63 3fa4 h LYS 268 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3fa4 h LYS 268 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3fa4 h LYS 268 CO 0.53 0.00 -0.52 0.39 -2.27 0.00 0.00 179.45 177.59 3fa4 n GLU 269 N -3.69 0.16 -2.62 1.90 -0.58 -1.26 -4.61 120.64 109.93 3fa4 n GLU 269 Ca 0.09 0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.45 3fa4 n GLU 269 Cb 0.73 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 3fa4 n GLU 269 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3fa4 n MET 270 N -1.84 3.47 -4.41 3.49 2.81 -0.33 -4.69 117.12 115.62 3fa4 n MET 270 Ca 0.04 -3.65 -0.24 0.00 -1.81 0.00 0.00 57.70 52.04 3fa4 n MET 270 Cb 0.39 -3.01 -0.09 0.00 -0.71 0.00 0.00 33.22 29.80 3fa4 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa4 s THR 271 N 1.15 2.77 0.50 2.03 -4.23 -1.26 -4.90 115.64 111.70 3fa4 s THR 271 Ca 0.42 -2.24 0.27 0.00 -1.18 0.00 0.00 61.69 58.96 3fa4 s THR 271 Cb 0.04 -2.46 0.44 0.00 1.34 0.00 0.00 72.50 71.86 3fa4 s THR 271 CO 0.00 -0.38 1.89 1.55 -0.54 0.00 0.00 174.62 177.15 3fa4 h PRO 272 N 2.21 0.12 0.12 3.99 0.13 -2.00 -2.79 132.00 133.78 3fa4 h PRO 272 Ca -0.42 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 3fa4 h PRO 272 Cb 1.25 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3fa4 h PRO 272 CO 0.60 0.08 -0.06 1.96 -0.23 0.00 0.00 178.00 180.35 3fa4 h GLN 273 N 0.12 -0.16 -0.95 0.86 7.50 -1.96 -0.88 115.11 119.64 3fa4 h GLN 273 Ca 0.42 0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.62 3fa4 h GLN 273 Cb 1.48 0.04 -0.06 0.00 0.05 0.00 0.00 27.48 28.99 3fa4 h GLN 273 CO -0.06 0.06 0.62 0.00 -1.50 0.00 0.00 178.83 177.95 3fa4 h MET 274 N -0.35 1.17 -0.64 1.46 -0.00 -1.81 -1.59 114.93 113.18 3fa4 h MET 274 Ca -0.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.70 59.59 3fa4 h MET 274 Cb 0.29 -0.26 -0.03 0.00 -0.00 0.00 0.00 31.60 31.59 3fa4 h MET 274 CO 0.03 0.77 0.32 1.25 -0.00 0.00 0.00 176.91 179.28 3fa4 h LEU 275 N 1.21 0.82 -0.72 -0.10 5.85 -1.25 0.46 115.31 121.57 3fa4 h LEU 275 Ca 0.38 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 3fa4 h LEU 275 Cb -0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3fa4 h LEU 275 CO -0.12 0.71 -0.16 -0.26 -0.34 0.00 0.00 178.44 178.27 3fa4 h PHE 276 N 0.88 0.91 -0.33 1.25 0.05 -0.78 0.42 116.94 119.33 3fa4 h PHE 276 Ca 0.22 -0.19 -0.10 0.00 3.82 0.00 0.00 57.97 61.72 3fa4 h PHE 276 Cb 0.09 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 3fa4 h PHE 276 CO -0.00 0.91 -0.18 0.00 -0.18 0.00 0.00 178.31 178.86 3fa4 h ARG 277 N 0.72 0.71 -0.79 1.51 3.08 -1.01 -1.13 114.38 117.48 3fa4 h ARG 277 Ca 0.11 -0.32 0.21 0.00 0.07 0.00 0.00 59.98 60.05 3fa4 h ARG 277 Cb 0.67 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 3fa4 h ARG 277 CO 0.05 0.92 0.55 0.28 -1.07 0.00 0.00 179.97 180.70 3fa4 h VAL 278 N 0.48 0.65 -0.79 2.04 2.07 0.32 -2.36 116.25 118.66 3fa4 h VAL 278 Ca 0.07 -0.05 -0.31 0.00 0.82 0.00 0.00 66.70 67.23 3fa4 h VAL 278 Cb 0.72 0.51 -0.19 0.00 -1.52 0.00 0.00 31.29 30.81 3fa4 h VAL 278 CO 0.05 0.03 0.37 0.00 0.02 0.00 0.00 177.57 178.04 3fa4 n GLY 280 N -0.57 -0.00 0.30 0.00 0.00 -0.89 -4.95 105.19 99.08 3fa4 n GLY 280 Ca 0.47 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.71 1.00 -0.38 0.99 5.85 -1.40 -2.23 115.31 117.42 3fa4 h LEU 281 Ca -0.36 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 3fa4 h LEU 281 Cb 1.23 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3fa4 h LEU 281 CO 0.36 0.96 0.19 0.44 -0.34 0.00 0.00 178.44 180.05 3fa4 h ASP 282 N 0.98 0.50 -0.45 1.25 3.32 -1.88 -0.72 116.42 119.42 3fa4 h ASP 282 Ca 0.21 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.22 3fa4 h ASP 282 Cb 0.35 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 3fa4 h ASP 282 CO -0.00 0.48 0.08 -0.33 -1.72 0.00 0.00 179.24 177.75 3fa4 h GLU 283 N 0.48 0.21 -0.40 3.56 4.39 -1.95 -0.72 114.58 120.14 3fa4 h GLU 283 Ca 0.13 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.84 3fa4 h GLU 283 Cb 0.11 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3fa4 h GLU 283 CO -0.02 0.14 0.23 0.77 -1.16 0.00 0.00 179.01 178.98 3fa4 h SER 284 N 0.21 0.38 -0.96 1.42 0.02 -0.97 -0.17 113.55 113.48 3fa4 h SER 284 Ca 0.22 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 3fa4 h SER 284 Cb 0.29 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3fa4 h SER 284 CO -0.30 0.27 0.63 0.24 -1.14 0.00 0.00 176.83 176.54 3fa4 h MET 285 N 0.48 1.21 -0.74 3.45 2.86 -0.87 0.82 114.93 122.15 3fa4 h MET 285 Ca 0.16 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3fa4 h MET 285 Cb 0.00 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.36 3fa4 h MET 285 CO -0.07 0.80 0.26 0.87 1.06 0.00 0.00 176.91 179.83 3fa4 h LYS 286 N 1.25 1.12 -0.59 1.72 1.57 -0.62 0.18 116.57 121.20 3fa4 h LYS 286 Ca 0.37 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3fa4 h LYS 286 Cb -0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 3fa4 h LYS 286 CO -0.10 0.94 0.24 0.28 -0.57 0.00 0.00 179.45 180.24 3fa4 h VAL 287 N 1.08 1.21 0.00 0.50 2.07 0.45 0.15 116.25 121.70 3fa4 h VAL 287 Ca 0.24 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 3fa4 h VAL 287 Cb 0.26 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3fa4 h VAL 287 CO -0.01 0.26 -0.74 -0.78 0.02 0.00 0.00 177.57 176.32 3fa4 h ASP 288 N 0.85 0.00 -0.02 0.57 1.82 -0.73 -2.94 116.42 115.97 3fa4 h ASP 288 Ca 0.20 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.72 3fa4 h ASP 288 Cb 0.16 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.18 3fa4 h ASP 288 CO -0.02 0.44 -0.47 0.00 -1.61 0.00 0.00 179.24 177.57 3fa4 h ALA 289 N 1.56 0.09 -0.82 -0.78 0.00 -0.68 -3.25 119.26 115.39 3fa4 h ALA 289 Ca -0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3fa4 h ALA 289 Cb 1.37 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 3fa4 h ALA 289 CO 0.05 0.27 0.41 1.96 0.00 0.00 0.00 179.25 181.94 3fa4 h GLN 290 N -0.17 1.16 0.00 0.00 4.20 -0.72 0.71 115.11 120.29 3fa4 h GLN 290 Ca -0.05 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3fa4 h GLN 290 Cb 1.18 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.74 3fa4 h GLN 290 CO 0.09 0.88 0.00 0.00 -0.67 0.00 0.00 178.83 179.13 3fa4 n ALA 291 N -2.42 1.30 1.48 3.87 0.00 -1.11 -5.11 120.51 118.51 3fa4 n ALA 291 Ca 0.08 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.65 3fa4 n ALA 291 Cb 0.13 -1.12 0.51 0.00 0.00 0.00 0.00 19.45 18.97 3fa4 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91