#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa3 s MET 3 N 0.00 4.26 -0.12 0.54 -1.94 -1.26 -5.04 119.30 115.75 3fa3 s MET 3 Ca 0.00 2.03 0.02 0.00 -1.71 0.00 0.00 55.69 56.02 3fa3 s MET 3 Cb 0.00 -2.93 -0.01 0.00 2.01 0.00 0.00 34.83 33.90 3fa3 s MET 3 CO 0.00 -0.20 -0.17 0.08 -0.01 0.00 0.00 175.02 174.71 3fa3 s VAL 4 N -1.24 2.65 -0.12 -6.03 1.01 -1.26 -5.12 120.40 110.29 3fa3 s VAL 4 Ca 0.52 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3fa3 s VAL 4 Cb -0.36 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3fa3 s VAL 4 CO 0.46 0.54 0.11 0.28 0.00 0.00 0.00 175.10 176.49 3fa3 s THR 5 N 0.35 5.22 -1.62 3.92 -1.32 -1.26 -4.94 115.64 115.99 3fa3 s THR 5 Ca -0.14 0.10 0.10 0.00 -1.21 0.00 0.00 61.69 60.54 3fa3 s THR 5 Cb -0.17 -3.27 0.21 0.00 -1.51 0.00 0.00 72.50 67.77 3fa3 s THR 5 CO 0.07 0.61 1.14 0.00 -2.21 0.00 0.00 174.62 174.23 3fa3 n ALA 6 N 2.10 1.71 0.03 11.08 0.00 -1.26 -1.91 120.51 132.25 3fa3 n ALA 6 Ca -0.19 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 3fa3 n ALA 6 Cb 0.55 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 3fa3 n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 7 N 2.52 0.46 0.08 0.00 0.00 -1.81 -3.00 119.26 117.50 3fa3 h ALA 7 Ca 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 3fa3 h ALA 7 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fa3 h ALA 7 CO 0.00 0.74 -0.04 1.15 0.00 0.00 0.00 179.25 181.10 3fa3 h THR 8 N 0.37 1.03 -0.92 0.00 2.02 -1.67 -0.25 112.91 113.48 3fa3 h THR 8 Ca -0.05 -0.38 0.20 0.00 0.77 0.00 0.00 66.41 66.95 3fa3 h THR 8 Cb 1.38 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 69.00 3fa3 h THR 8 CO 0.14 0.10 0.60 0.77 0.37 0.00 0.00 175.52 177.50 3fa3 h SER 9 N -0.28 0.49 0.14 4.18 4.64 -1.64 -2.22 113.55 118.86 3fa3 h SER 9 Ca -0.01 0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.16 3fa3 h SER 9 Cb 0.24 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3fa3 h SER 9 CO 0.02 0.20 -0.89 0.25 -0.87 0.00 0.00 176.83 175.54 3fa3 h LEU 10 N 0.49 0.47 -0.95 5.97 5.85 -1.49 -2.03 115.31 123.62 3fa3 h LEU 10 Ca 0.49 -0.94 0.23 0.00 0.84 0.00 0.00 57.88 58.49 3fa3 h LEU 10 Cb 1.09 -0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.85 3fa3 h LEU 10 CO -0.21 1.42 0.51 -0.09 -0.34 0.00 0.00 178.44 179.73 3fa3 h ARG 11 N -0.35 0.51 0.16 1.25 2.43 -0.50 -0.60 114.38 117.27 3fa3 h ARG 11 Ca -0.16 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.68 3fa3 h ARG 11 Cb 1.67 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 31.12 3fa3 h ARG 11 CO 0.15 0.34 -1.30 0.00 -1.51 0.00 0.00 179.97 177.64 3fa3 h ARG 12 N 0.53 0.42 -0.36 0.20 3.08 -1.49 -2.84 114.38 113.92 3fa3 h ARG 12 Ca 0.60 -0.67 0.10 0.00 0.07 0.00 0.00 59.98 60.08 3fa3 h ARG 12 Cb 1.11 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 3fa3 h ARG 12 CO -0.48 1.31 0.27 0.00 -1.07 0.00 0.00 179.97 179.99 3fa3 h ALA 13 N 0.41 2.31 0.00 0.04 0.00 -0.82 -2.47 119.26 118.72 3fa3 h ALA 13 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3fa3 h ALA 13 Cb 2.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3fa3 h ALA 13 CO 0.23 -0.45 -0.37 1.28 0.00 0.00 0.00 179.25 179.94 3fa3 n LEU 14 N -4.36 0.58 0.04 0.00 4.77 -0.28 -3.10 117.00 114.64 3fa3 n LEU 14 Ca 0.06 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 3fa3 n LEU 14 Cb 0.45 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 3fa3 n LEU 14 CO 0.35 -0.04 -0.07 -0.33 -1.33 0.00 0.00 177.39 175.97 3fa3 h GLU 15 N 0.00 0.00 -6.26 3.23 5.08 -1.34 -3.43 114.58 111.86 3fa3 h GLU 15 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3fa3 h GLU 15 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3fa3 h GLU 15 CO 0.00 0.78 1.13 1.21 -1.00 0.00 0.00 179.01 181.13 3fa3 s ASN 16 N -6.46 6.54 0.25 1.42 3.84 -1.13 -4.83 114.94 114.56 3fa3 s ASN 16 Ca -0.01 2.17 0.25 0.00 0.21 0.00 0.00 52.86 55.48 3fa3 s ASN 16 Cb 0.09 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 39.15 3fa3 s ASN 16 CO 0.82 -1.04 1.75 -0.81 -2.79 0.00 0.00 177.10 175.02 3fa3 n PRO 17 N 7.34 0.24 0.11 0.43 -0.04 -1.26 -2.64 135.00 139.18 3fa3 n PRO 17 Ca 0.18 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 3fa3 n PRO 17 Cb 0.43 -1.86 0.19 0.00 -0.04 0.00 0.00 33.50 32.22 3fa3 n PRO 17 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3fa3 h ASP 18 N 0.00 0.00 -3.42 3.54 3.32 -1.90 -3.46 116.42 114.50 3fa3 h ASP 18 Ca 0.00 -0.08 -0.60 0.00 0.02 0.00 0.00 57.03 56.37 3fa3 h ASP 18 Cb 0.57 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.03 3fa3 h ASP 18 CO 0.00 0.04 0.52 -0.44 -1.72 0.00 0.00 179.24 177.64 3fa3 s SER 19 N -4.91 6.72 -0.17 6.45 0.01 -1.08 -5.02 113.70 115.70 3fa3 s SER 19 Ca 0.06 0.72 -0.09 0.00 1.31 0.00 0.00 55.95 57.95 3fa3 s SER 19 Cb 0.11 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 3fa3 s SER 19 CO 0.70 -0.71 0.14 0.12 0.41 0.00 0.00 173.24 173.90 3fa3 s PHE 20 N 3.18 3.47 -0.27 2.43 5.36 -1.26 -4.88 117.98 126.01 3fa3 s PHE 20 Ca 0.36 0.40 -0.08 0.00 -0.96 0.00 0.00 56.93 56.65 3fa3 s PHE 20 Cb -0.13 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 3fa3 s PHE 20 CO 0.14 0.43 0.11 0.42 -1.46 0.00 0.00 175.22 174.86 3fa3 s ILE 21 N -0.09 4.48 -0.33 3.12 1.09 0.22 -5.01 121.20 124.69 3fa3 s ILE 21 Ca 0.11 -0.24 -0.10 0.00 -1.10 0.00 0.00 60.65 59.32 3fa3 s ILE 21 Cb -0.11 -3.17 0.00 0.00 -1.06 0.00 0.00 42.46 38.12 3fa3 s ILE 21 CO 0.00 0.24 0.16 -0.69 -0.10 0.00 0.00 174.94 174.55 3fa3 s VAL 22 N 1.62 4.55 -0.28 2.92 1.01 -1.26 -1.75 120.40 127.21 3fa3 s VAL 22 Ca 0.06 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3fa3 s VAL 22 Cb -0.16 -3.38 0.08 0.00 0.00 0.00 0.00 36.38 32.92 3fa3 s VAL 22 CO 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.13 3fa3 s ALA 23 N 1.59 2.20 0.38 5.51 0.00 -0.41 -4.14 121.76 126.88 3fa3 s ALA 23 Ca 0.04 -1.79 -0.25 0.00 0.00 0.00 0.00 51.96 49.96 3fa3 s ALA 23 Cb -0.18 -1.64 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 3fa3 s ALA 23 CO 0.06 -1.43 1.07 -1.25 0.00 0.00 0.00 175.76 174.21 3fa3 s PRO 24 N 1.27 4.23 -0.33 0.00 0.04 -1.26 -3.00 135.00 135.95 3fa3 s PRO 24 Ca 0.02 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 3fa3 s PRO 24 Cb -0.19 -2.66 0.02 0.00 0.04 0.00 0.00 34.50 31.71 3fa3 s PRO 24 CO -0.10 -0.10 1.10 0.20 0.04 0.00 0.00 177.00 178.14 3fa3 s GLY 25 N -1.42 1.51 0.34 0.56 0.00 -0.31 -0.79 107.32 107.21 3fa3 s GLY 25 Ca 0.56 -0.08 0.08 0.00 0.00 0.00 0.00 44.72 45.28 3fa3 s GLY 25 CO 0.31 2.32 0.16 -1.34 0.00 0.00 0.00 173.10 174.55 3fa3 s VAL 26 N 3.80 3.10 0.00 1.40 -7.23 0.15 -2.46 120.40 119.15 3fa3 s VAL 26 Ca 0.47 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3fa3 s VAL 26 Cb -0.12 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.81 3fa3 s VAL 26 CO 0.18 -0.18 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 3fa3 n TYR 27 N -1.18 0.00 -3.86 2.82 4.11 -1.26 -2.42 117.16 115.37 3fa3 n TYR 27 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.77 3fa3 n TYR 27 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.94 3fa3 n TYR 27 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 3fa3 n ASP 28 N 0.00 -1.19 -0.06 9.48 5.68 -1.26 -4.53 116.55 124.68 3fa3 n ASP 28 Ca 0.00 -2.38 -0.15 0.00 -0.50 0.00 0.00 54.79 51.76 3fa3 n ASP 28 Cb 0.06 2.14 -0.06 0.00 -1.14 0.00 0.00 41.12 42.12 3fa3 n ASP 28 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3fa3 h GLY 29 N 1.49 0.76 0.05 6.12 0.00 -1.98 -0.88 103.07 108.63 3fa3 h GLY 29 Ca -0.22 -0.93 0.12 0.00 0.00 0.00 0.00 47.33 46.30 3fa3 h GLY 29 CO 0.29 0.83 0.02 1.41 0.00 0.00 0.00 176.54 179.09 3fa3 h LEU 30 N 0.39 -0.21 -0.19 3.11 3.38 -1.97 0.19 115.31 120.00 3fa3 h LEU 30 Ca -0.00 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3fa3 h LEU 30 Cb 1.10 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3fa3 h LEU 30 CO 0.11 -0.08 -0.30 0.77 0.09 0.00 0.00 178.44 179.02 3fa3 h SER 31 N 0.14 0.00 0.35 -0.43 4.64 -1.94 -0.37 113.55 115.93 3fa3 h SER 31 Ca 0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3fa3 h SER 31 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3fa3 h SER 31 CO -0.48 0.30 -0.17 0.00 -0.87 0.00 0.00 176.83 175.62 3fa3 h ALA 32 N 1.70 -0.46 -0.96 5.18 0.00 -0.59 -2.84 119.26 121.29 3fa3 h ALA 32 Ca -0.00 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3fa3 h ALA 32 Cb 1.16 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 3fa3 h ALA 32 CO 0.04 -0.52 0.59 0.00 0.00 0.00 0.00 179.25 179.35 3fa3 h ARG 33 N -0.94 0.89 0.27 0.00 2.47 -0.45 0.52 114.38 117.13 3fa3 h ARG 33 Ca -0.05 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 3fa3 h ARG 33 Cb 0.52 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3fa3 h ARG 33 CO 0.08 0.59 -0.13 0.28 0.56 0.00 0.00 179.97 181.35 3fa3 h VAL 34 N 0.91 0.78 -0.69 2.04 2.07 -1.21 -2.62 116.25 117.53 3fa3 h VAL 34 Ca 0.49 -0.47 0.14 0.00 0.82 0.00 0.00 66.70 67.68 3fa3 h VAL 34 Cb 0.52 1.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.22 3fa3 h VAL 34 CO -0.28 0.10 0.16 0.00 0.02 0.00 0.00 177.57 177.57 3fa3 h ALA 35 N 0.04 0.87 -0.15 1.67 0.00 -1.05 -1.83 119.26 118.81 3fa3 h ALA 35 Ca -0.04 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3fa3 h ALA 35 Cb 0.44 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3fa3 h ALA 35 CO 0.06 -0.32 0.05 -0.07 0.00 0.00 0.00 179.25 178.96 3fa3 h LEU 36 N 0.27 0.05 -2.01 0.00 -0.00 -0.85 -2.52 115.31 110.25 3fa3 h LEU 36 Ca 0.38 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.26 3fa3 h LEU 36 Cb 0.63 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 3fa3 h LEU 36 CO -0.48 0.05 -0.10 0.28 -0.00 0.00 0.00 178.44 178.20 3fa3 h SER 37 N 0.12 0.00 0.56 -0.43 0.02 -0.96 0.23 113.55 113.08 3fa3 h SER 37 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3fa3 h SER 37 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3fa3 h SER 37 CO -0.06 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 3fa3 n ALA 38 N -2.29 1.57 -0.18 3.77 0.00 -0.89 -4.89 120.51 117.59 3fa3 n ALA 38 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3fa3 n ALA 38 Cb 0.21 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3fa3 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 39 N -0.21 1.48 3.78 0.00 0.00 0.80 -5.10 105.19 105.93 3fa3 n GLY 39 Ca 0.02 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3fa3 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 40 N -2.00 3.65 -2.76 1.61 0.40 -1.23 -4.94 117.98 112.72 3fa3 s PHE 40 Ca 0.00 1.77 0.24 0.00 -0.60 0.00 0.00 56.93 58.35 3fa3 s PHE 40 Cb 0.00 -2.99 0.44 0.00 0.51 0.00 0.00 43.02 40.98 3fa3 s PHE 40 CO 0.00 0.06 1.40 -0.25 0.70 0.00 0.00 175.22 177.13 3fa3 n ASP 41 N 0.61 2.70 -3.62 1.36 8.00 -1.26 -4.81 116.55 119.53 3fa3 n ASP 41 Ca 0.02 -1.88 -0.16 0.00 0.71 0.00 0.00 54.79 53.48 3fa3 n ASP 41 Cb 0.49 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 3fa3 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 s ALA 42 N -1.89 -1.43 0.10 2.24 0.00 -1.26 -4.08 121.76 115.43 3fa3 s ALA 42 Ca 0.32 1.10 0.09 0.00 0.00 0.00 0.00 51.96 53.47 3fa3 s ALA 42 Cb 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3fa3 s ALA 42 CO 0.31 -0.32 -0.22 -0.51 0.00 0.00 0.00 175.76 175.01 3fa3 s LEU 43 N -0.96 2.29 -0.23 0.00 1.43 -0.57 -4.03 118.68 116.61 3fa3 s LEU 43 Ca -0.10 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 3fa3 s LEU 43 Cb -0.02 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.23 3fa3 s LEU 43 CO 0.07 0.10 -0.07 -0.47 0.23 0.00 0.00 176.35 176.20 3fa3 s TYR 44 N -1.09 2.97 -0.48 0.29 5.04 0.03 -1.04 117.35 123.06 3fa3 s TYR 44 Ca 0.08 -1.28 -0.29 0.00 -2.44 0.00 0.00 57.07 53.14 3fa3 s TYR 44 Cb -0.10 -2.06 0.03 0.00 0.35 0.00 0.00 41.96 40.18 3fa3 s TYR 44 CO 0.04 -0.66 1.12 1.41 -1.34 0.00 0.00 175.55 176.12 3fa3 s MET 45 N 1.39 3.70 -0.14 4.97 -2.45 0.13 0.32 119.30 127.22 3fa3 s MET 45 Ca 0.04 0.51 -0.29 0.00 -1.25 0.00 0.00 55.69 54.69 3fa3 s MET 45 Cb -0.15 -3.91 -0.02 0.00 1.25 0.00 0.00 34.83 32.00 3fa3 s MET 45 CO -0.05 -1.37 1.27 -0.08 1.05 0.00 0.00 175.02 175.84 3fa3 s THR 46 N 4.39 4.23 0.11 10.11 -1.32 -1.02 -2.37 115.64 129.77 3fa3 s THR 46 Ca 0.47 1.50 -0.31 0.00 -1.21 0.00 0.00 61.69 62.14 3fa3 s THR 46 Cb -0.07 -3.97 -0.11 0.00 -1.51 0.00 0.00 72.50 66.83 3fa3 s THR 46 CO 0.31 -0.10 1.50 1.23 -2.21 0.00 0.00 174.62 175.35 3fa3 h GLY 47 N 9.42 -1.12 -0.90 6.08 0.00 -1.93 -0.85 103.07 113.77 3fa3 h GLY 47 Ca -0.29 0.70 0.33 0.00 0.00 0.00 0.00 47.33 48.07 3fa3 h GLY 47 CO 0.95 -0.21 0.30 0.00 0.00 0.00 0.00 176.54 177.58 3fa3 n ALA 48 N -2.99 0.74 0.04 3.60 0.00 -1.26 -1.57 120.51 119.07 3fa3 n ALA 48 Ca -0.05 0.94 -0.10 0.00 0.00 0.00 0.00 53.44 54.23 3fa3 n ALA 48 Cb 0.34 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 18.82 3fa3 n ALA 48 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3fa3 h GLY 49 N 0.00 0.06 0.83 0.00 0.00 -1.73 -2.33 103.07 99.90 3fa3 h GLY 49 Ca 0.68 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 3fa3 h GLY 49 CO -0.76 0.14 -0.04 -0.84 0.00 0.00 0.00 176.54 175.04 3fa3 h THR 50 N 0.01 1.03 -0.64 4.70 2.02 -0.47 0.10 112.91 119.66 3fa3 h THR 50 Ca -0.14 -0.38 0.14 0.00 0.77 0.00 0.00 66.41 66.79 3fa3 h THR 50 Cb 1.90 1.27 -0.11 0.00 -1.74 0.00 0.00 68.15 69.47 3fa3 h THR 50 CO 0.12 0.09 -0.01 0.00 0.37 0.00 0.00 175.52 176.10 3fa3 h ALA 51 N 0.62 0.62 -0.44 6.16 0.00 -1.22 -0.27 119.26 124.73 3fa3 h ALA 51 Ca -0.01 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3fa3 h ALA 51 Cb 0.24 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3fa3 h ALA 51 CO 0.02 -0.40 -0.22 0.00 0.00 0.00 0.00 179.25 178.65 3fa3 h ALA 52 N 1.59 0.62 0.04 0.00 0.00 -1.00 0.66 119.26 121.17 3fa3 h ALA 52 Ca 0.34 -0.39 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 3fa3 h ALA 52 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3fa3 h ALA 52 CO -0.56 0.60 -1.51 0.45 0.00 0.00 0.00 179.25 178.24 3fa3 n SER 53 N -4.16 1.94 0.12 0.00 2.88 0.31 -0.98 113.62 113.73 3fa3 n SER 53 Ca -0.01 0.36 -0.01 0.00 -1.33 0.00 0.00 58.87 57.88 3fa3 n SER 53 Cb 0.45 -0.94 0.26 0.00 -0.75 0.00 0.00 64.21 63.24 3fa3 n SER 53 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3fa3 h VAL 54 N -0.69 1.31 0.00 2.46 2.07 -1.17 -3.37 116.25 116.85 3fa3 h VAL 54 Ca -0.38 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3fa3 h VAL 54 Cb 1.52 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3fa3 h VAL 54 CO -0.13 0.44 -0.83 1.41 0.02 0.00 0.00 177.57 178.47 3fa3 n HIS 55 N -4.03 0.00 -1.06 1.57 8.25 0.21 -4.99 115.22 115.16 3fa3 n HIS 55 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 3fa3 n HIS 55 Cb 0.46 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 3fa3 n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 56 N 1.94 0.54 3.49 -1.41 0.00 -0.15 -4.99 105.19 104.62 3fa3 n GLY 56 Ca -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 3fa3 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fa3 s GLN 57 N -1.32 1.77 1.20 1.61 2.00 -1.16 -4.95 119.66 118.81 3fa3 s GLN 57 Ca 0.00 -1.72 -0.19 0.00 -2.00 0.00 0.00 55.36 51.45 3fa3 s GLN 57 Cb 0.00 -1.83 0.28 0.00 0.80 0.00 0.00 33.01 32.27 3fa3 s GLN 57 CO 0.00 0.34 1.09 0.00 -0.50 0.00 0.00 175.29 176.22 3fa3 s ALA 58 N -2.48 0.50 -1.02 1.58 0.00 -1.26 -2.96 121.76 116.11 3fa3 s ALA 58 Ca 0.30 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 51.26 3fa3 s ALA 58 Cb -0.05 -2.92 0.20 0.00 0.00 0.00 0.00 23.12 20.35 3fa3 s ALA 58 CO 0.16 -3.62 1.10 0.34 0.00 0.00 0.00 175.76 173.74 3fa3 s ASP 59 N -3.76 6.96 -0.00 0.00 3.68 -1.26 -4.69 116.67 117.60 3fa3 s ASP 59 Ca 0.70 -2.87 0.00 0.00 2.13 0.00 0.00 52.55 52.51 3fa3 s ASP 59 Cb -0.11 -2.30 0.00 0.00 -1.45 0.00 0.00 42.92 39.06 3fa3 s ASP 59 CO 0.57 -0.64 0.63 0.18 0.13 0.00 0.00 175.17 176.03 3fa3 n LEU 60 N 4.59 0.10 0.00 -1.34 4.77 -1.25 -1.32 117.00 122.56 3fa3 n LEU 60 Ca 0.24 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3fa3 n LEU 60 Cb 0.44 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3fa3 n LEU 60 CO 0.48 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3fa3 n GLY 61 N -0.03 0.77 0.14 -0.72 0.00 -1.12 -4.13 105.19 100.09 3fa3 n GLY 61 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3fa3 n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fa3 h ILE 62 N 0.00 0.86 -2.01 -0.61 1.08 -1.90 -3.45 117.51 111.49 3fa3 h ILE 62 Ca 0.00 -0.24 -0.63 0.00 -0.39 0.00 0.00 64.86 63.60 3fa3 h ILE 62 Cb 0.00 1.01 0.05 0.00 -3.07 0.00 0.00 36.82 34.81 3fa3 h ILE 62 CO 0.00 0.06 0.70 0.00 -0.69 0.00 0.00 178.15 178.21 3fa3 s THR 64 N 1.09 3.10 0.16 0.00 -4.23 -1.26 -4.92 115.64 109.57 3fa3 s THR 64 Ca 0.83 -0.85 -0.19 0.00 -1.18 0.00 0.00 61.69 60.30 3fa3 s THR 64 Cb -0.80 -3.09 0.07 0.00 1.34 0.00 0.00 72.50 70.02 3fa3 s THR 64 CO 0.43 -0.04 1.66 0.25 -0.54 0.00 0.00 174.62 176.38 3fa3 h LEU 65 N 0.47 -0.44 -0.81 4.79 5.85 -1.95 -0.90 115.31 122.33 3fa3 h LEU 65 Ca -0.42 0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.55 3fa3 h LEU 65 Cb 1.28 0.26 -0.14 0.00 0.37 0.00 0.00 40.66 42.43 3fa3 h LEU 65 CO 0.49 -0.16 -0.37 0.78 -0.34 0.00 0.00 178.44 178.84 3fa3 h ASN 66 N -0.06 -1.32 -0.37 1.25 4.21 -1.99 0.22 115.58 117.52 3fa3 h ASN 66 Ca 0.17 0.27 0.07 0.00 1.21 0.00 0.00 56.30 58.02 3fa3 h ASN 66 Cb 0.32 0.68 -0.06 0.00 -1.12 0.00 0.00 38.32 38.13 3fa3 h ASN 66 CO -0.38 -0.30 -0.04 0.44 -1.29 0.00 0.00 177.43 175.87 3fa3 h ASP 67 N -0.08 -0.23 0.22 5.81 3.32 -1.71 -2.29 116.42 121.47 3fa3 h ASP 67 Ca 0.29 0.10 -0.25 0.00 0.02 0.00 0.00 57.03 57.19 3fa3 h ASP 67 Cb 0.57 0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.32 3fa3 h ASP 67 CO -0.85 -0.07 -1.03 0.24 -1.72 0.00 0.00 179.24 175.81 3fa3 h MET 68 N 0.06 0.52 -0.63 3.56 2.86 0.37 -3.11 114.93 118.55 3fa3 h MET 68 Ca 0.18 -0.59 -0.08 0.00 -2.06 0.00 0.00 59.70 57.14 3fa3 h MET 68 Cb 0.27 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3fa3 h MET 68 CO -0.34 1.22 0.07 -0.09 1.06 0.00 0.00 176.91 178.83 3fa3 h ARG 69 N 0.28 1.06 -0.40 1.72 1.12 -0.57 0.18 114.38 117.78 3fa3 h ARG 69 Ca -0.11 -0.30 -0.07 0.00 -1.11 0.00 0.00 59.98 58.39 3fa3 h ARG 69 Cb 1.68 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.51 3fa3 h ARG 69 CO 0.19 1.00 -0.02 0.00 -3.11 0.00 0.00 179.97 178.03 3fa3 h ALA 70 N 1.07 0.54 0.03 2.80 0.00 -1.39 0.36 119.26 122.67 3fa3 h ALA 70 Ca 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fa3 h ALA 70 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fa3 h ALA 70 CO 0.02 0.33 -0.01 -0.97 0.00 0.00 0.00 179.25 178.61 3fa3 h ASN 71 N 0.53 -0.03 -0.41 0.00 -1.24 -1.49 -1.26 115.58 111.69 3fa3 h ASN 71 Ca 0.11 -0.28 0.12 0.00 0.71 0.00 0.00 56.30 56.96 3fa3 h ASN 71 Cb 0.50 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 3fa3 h ASN 71 CO 0.02 0.26 0.31 0.00 -1.29 0.00 0.00 177.43 176.74 3fa3 h ALA 72 N 0.63 2.35 0.18 1.57 0.00 -0.56 0.62 119.26 124.05 3fa3 h ALA 72 Ca -0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 3fa3 h ALA 72 Cb 0.31 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.15 3fa3 h ALA 72 CO 0.01 -0.52 -1.51 1.49 0.00 0.00 0.00 179.25 178.72 3fa3 h GLU 73 N 0.00 0.39 -0.45 0.00 4.81 0.11 -2.18 114.58 117.26 3fa3 h GLU 73 Ca 0.20 -0.67 -0.13 0.00 -0.13 0.00 0.00 59.36 58.63 3fa3 h GLU 73 Cb 0.82 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3fa3 h GLU 73 CO -0.00 1.32 -0.23 0.00 -0.73 0.00 0.00 179.01 179.36 3fa3 h MET 74 N -0.03 0.93 -0.47 1.92 -0.00 -0.91 -2.67 114.93 113.70 3fa3 h MET 74 Ca -0.29 -0.40 -0.06 0.00 -0.00 0.00 0.00 59.70 58.95 3fa3 h MET 74 Cb 1.99 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 33.54 3fa3 h MET 74 CO 0.17 1.06 0.06 0.82 -0.00 0.00 0.00 176.91 179.03 3fa3 h ILE 75 N 0.80 1.22 0.00 -0.10 2.04 -0.94 -2.72 117.51 117.82 3fa3 h ILE 75 Ca 0.10 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 3fa3 h ILE 75 Cb 0.80 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3fa3 h ILE 75 CO 0.07 0.31 -0.33 0.28 0.00 0.00 0.00 178.15 178.47 3fa3 h SER 76 N 0.70 0.00 -0.49 1.72 0.02 -1.06 -3.32 113.55 111.12 3fa3 h SER 76 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3fa3 h SER 76 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3fa3 h SER 76 CO 0.01 0.33 0.00 0.59 -1.14 0.00 0.00 176.83 176.62 3fa3 n ASN 77 N -4.05 4.60 -0.08 3.07 3.02 -1.03 -3.57 115.26 117.22 3fa3 n ASN 77 Ca -0.02 -2.70 -0.21 0.00 -0.03 0.00 0.00 54.58 51.62 3fa3 n ASN 77 Cb 0.38 -0.56 -0.12 0.00 -0.61 0.00 0.00 39.78 38.87 3fa3 n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fa3 h ILE 78 N 3.19 1.03 -3.68 2.41 2.04 -1.66 -3.40 117.51 117.45 3fa3 h ILE 78 Ca 0.00 -2.23 -0.70 0.00 1.00 0.00 0.00 64.86 62.93 3fa3 h ILE 78 Cb 1.52 2.45 -0.29 0.00 -0.74 0.00 0.00 36.82 39.76 3fa3 h ILE 78 CO 0.28 0.42 -0.61 -0.55 0.00 0.00 0.00 178.15 177.69 3fa3 s SER 79 N -6.79 5.28 0.05 1.72 0.15 -1.26 -5.00 113.70 107.85 3fa3 s SER 79 Ca -0.26 -1.19 0.26 0.00 0.70 0.00 0.00 55.95 55.46 3fa3 s SER 79 Cb 0.05 -1.85 0.77 0.00 -1.71 0.00 0.00 66.02 63.27 3fa3 s SER 79 CO 0.63 -0.33 1.63 -2.65 1.20 0.00 0.00 173.24 173.72 3fa3 n PRO 80 N 4.79 0.09 0.01 5.44 -0.02 -1.23 -3.26 135.00 140.82 3fa3 n PRO 80 Ca -0.12 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 3fa3 n PRO 80 Cb 0.44 -1.58 0.18 0.00 -0.02 0.00 0.00 33.50 32.52 3fa3 n PRO 80 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fa3 n SER 81 N -1.73 0.58 -4.67 2.55 3.41 -1.26 -4.20 113.62 108.30 3fa3 n SER 81 Ca 0.06 -0.26 -0.40 0.00 -0.26 0.00 0.00 58.87 58.01 3fa3 n SER 81 Cb 0.37 0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.64 3fa3 n SER 81 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fa3 s THR 82 N -3.05 5.01 0.36 6.66 2.01 -1.20 -4.83 115.64 120.60 3fa3 s THR 82 Ca 0.09 1.29 -0.28 0.00 0.31 0.00 0.00 61.69 63.10 3fa3 s THR 82 Cb 0.16 -3.98 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 3fa3 s THR 82 CO 0.73 0.13 1.41 -2.16 -0.69 0.00 0.00 174.62 174.04 3fa3 s PRO 83 N 1.71 4.21 -0.15 4.92 0.04 -1.26 -4.87 135.00 139.60 3fa3 s PRO 83 Ca 0.32 2.43 0.02 0.00 0.04 0.00 0.00 61.00 63.80 3fa3 s PRO 83 Cb -0.16 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.38 3fa3 s PRO 83 CO 0.12 -0.39 -0.19 0.08 0.04 0.00 0.00 177.00 176.65 3fa3 s VAL 84 N -1.12 1.89 -0.37 -0.36 1.01 -1.26 -1.51 120.40 118.68 3fa3 s VAL 84 Ca 0.51 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 3fa3 s VAL 84 Cb -0.44 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3fa3 s VAL 84 CO 0.59 0.51 0.31 -0.63 0.00 0.00 0.00 175.10 175.88 3fa3 s ILE 85 N 1.11 5.23 -0.13 2.22 1.01 -0.21 -0.84 121.20 129.59 3fa3 s ILE 85 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 3fa3 s ILE 85 Cb -0.14 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 3fa3 s ILE 85 CO -0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 174.94 174.64 3fa3 s ALA 86 N 1.83 2.81 0.47 9.38 0.00 0.61 -0.69 121.76 136.17 3fa3 s ALA 86 Ca 0.08 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 50.96 3fa3 s ALA 86 Cb -0.18 -1.35 -0.10 0.00 0.00 0.00 0.00 23.12 21.50 3fa3 s ALA 86 CO 0.11 0.28 0.74 -3.47 0.00 0.00 0.00 175.76 173.41 3fa3 n ASP 87 N 3.36 -0.05 0.00 0.00 -0.08 -1.00 -2.35 116.55 116.44 3fa3 n ASP 87 Ca -0.18 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.00 3fa3 n ASP 87 Cb 0.53 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.75 3fa3 n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fa3 n ALA 88 N -1.02 0.76 -0.78 -1.67 0.00 -1.10 -4.76 120.51 111.93 3fa3 n ALA 88 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3fa3 n ALA 88 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3fa3 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa3 n ASP 89 N 0.00 0.00 -0.10 0.00 8.00 -1.23 -0.75 116.55 122.47 3fa3 n ASP 89 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 3fa3 n ASP 89 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3fa3 n ASP 89 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fa3 n THR 90 N 0.00 0.00 0.00 -3.53 -2.24 -1.26 -1.40 114.28 105.84 3fa3 n THR 90 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3fa3 n THR 90 Cb 0.00 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3fa3 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fa3 n GLY 91 N 0.41 1.14 3.80 3.38 0.00 0.07 -4.59 105.19 109.41 3fa3 n GLY 91 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3fa3 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fa3 n TYR 92 N -1.58 -2.48 0.00 1.61 4.02 -1.26 -2.42 117.16 115.05 3fa3 n TYR 92 Ca 0.00 0.94 0.00 0.00 -0.01 0.00 0.00 57.90 58.83 3fa3 n TYR 92 Cb 0.00 -4.35 0.00 0.00 -0.02 0.00 0.00 39.34 34.97 3fa3 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fa3 n GLY 93 N -1.79 0.65 0.00 2.72 0.00 -1.26 -4.79 105.19 100.72 3fa3 n GLY 93 Ca 0.02 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3fa3 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 94 N 0.00 0.05 0.42 -0.02 0.00 -1.26 -4.53 105.19 99.85 3fa3 n GLY 94 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 3fa3 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa3 h PRO 95 N 0.00 -0.23 -0.95 1.61 0.11 -1.94 -0.86 132.00 129.74 3fa3 h PRO 95 Ca 0.00 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.29 3fa3 h PRO 95 Cb 0.00 0.05 -0.16 0.00 0.11 0.00 0.00 31.00 31.00 3fa3 h PRO 95 CO 0.00 -0.15 -0.31 -0.89 -0.21 0.00 0.00 178.00 176.43 3fa3 n ILE 96 N -5.37 -0.46 -0.12 4.15 2.08 -1.26 0.94 119.36 119.32 3fa3 n ILE 96 Ca 0.00 2.19 -0.13 0.00 0.56 0.00 0.00 62.75 65.38 3fa3 n ILE 96 Cb 0.33 -2.96 -0.02 0.00 -0.75 0.00 0.00 39.64 36.24 3fa3 n ILE 96 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 3fa3 h MET 97 N 0.00 0.92 -0.88 0.38 2.86 -1.62 -1.97 114.93 114.63 3fa3 h MET 97 Ca 0.38 -0.48 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3fa3 h MET 97 Cb 0.62 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 3fa3 h MET 97 CO -0.95 1.13 0.58 0.28 1.06 0.00 0.00 176.91 179.00 3fa3 h VAL 98 N 0.74 1.23 -0.24 -2.22 2.07 0.13 -0.15 116.25 117.80 3fa3 h VAL 98 Ca 0.06 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.21 3fa3 h VAL 98 Cb 0.95 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3fa3 h VAL 98 CO 0.09 0.22 -0.05 0.00 0.02 0.00 0.00 177.57 177.85 3fa3 h ALA 99 N 1.32 0.16 -0.37 1.67 0.00 0.79 -0.70 119.26 122.13 3fa3 h ALA 99 Ca 0.32 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 3fa3 h ALA 99 Cb -0.13 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fa3 h ALA 99 CO -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 179.25 178.74 3fa3 h ARG 100 N 0.01 0.58 0.11 0.00 3.08 -0.46 0.63 114.38 118.33 3fa3 h ARG 100 Ca 0.12 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3fa3 h ARG 100 Cb 0.17 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3fa3 h ARG 100 CO -0.24 0.59 -0.05 1.15 -1.07 0.00 0.00 179.97 180.34 3fa3 h THR 101 N 0.56 1.05 -0.53 2.04 2.02 -0.76 0.12 112.91 117.40 3fa3 h THR 101 Ca 0.12 -0.68 0.10 0.00 0.77 0.00 0.00 66.41 66.72 3fa3 h THR 101 Cb 0.32 1.49 -0.08 0.00 -1.74 0.00 0.00 68.15 68.14 3fa3 h THR 101 CO 0.01 0.16 0.04 0.74 0.37 0.00 0.00 175.52 176.84 3fa3 h THR 102 N -0.47 0.62 0.11 3.16 2.02 -0.85 -0.54 112.91 116.96 3fa3 h THR 102 Ca -0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3fa3 h THR 102 Cb 0.38 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3fa3 h THR 102 CO 0.03 0.03 -0.05 -0.33 0.37 0.00 0.00 175.52 175.56 3fa3 h GLU 103 N 0.16 -0.14 -0.48 6.66 5.08 -0.20 -1.88 114.58 123.78 3fa3 h GLU 103 Ca 0.27 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3fa3 h GLU 103 Cb 0.41 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3fa3 h GLU 103 CO -0.42 0.02 0.17 1.96 -1.00 0.00 0.00 179.01 179.74 3fa3 h GLN 104 N -0.28 0.74 -0.73 2.33 4.20 -0.57 0.16 115.11 120.96 3fa3 h GLN 104 Ca -0.01 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.58 3fa3 h GLN 104 Cb 0.23 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 3fa3 h GLN 104 CO 0.02 0.69 0.48 1.88 -0.67 0.00 0.00 178.83 181.24 3fa3 h TYR 105 N 0.65 0.85 0.05 2.96 -1.99 -1.13 0.05 116.97 118.40 3fa3 h TYR 105 Ca 0.16 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 3fa3 h TYR 105 Cb 0.25 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.69 3fa3 h TYR 105 CO 0.01 0.49 -0.02 0.77 -0.00 0.00 0.00 178.16 179.41 3fa3 h SER 106 N 0.87 -0.05 -0.17 3.88 0.02 -0.47 -0.69 113.55 116.94 3fa3 h SER 106 Ca 0.30 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3fa3 h SER 106 Cb 0.08 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3fa3 h SER 106 CO -0.09 0.24 0.07 0.03 -1.14 0.00 0.00 176.83 175.94 3fa3 h ARG 107 N -0.35 0.31 0.00 3.45 3.08 -0.57 -1.41 114.38 118.89 3fa3 h ARG 107 Ca -0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3fa3 h ARG 107 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3fa3 h ARG 107 CO 0.01 0.28 -0.17 0.77 -1.07 0.00 0.00 179.97 179.78 3fa3 h SER 108 N 0.31 0.00 0.00 7.04 0.02 -0.96 -3.46 113.55 116.50 3fa3 h SER 108 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3fa3 h SER 108 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3fa3 h SER 108 CO -0.01 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 3fa3 n GLY 109 N -0.23 1.06 3.68 -3.77 0.00 -0.53 -4.68 105.19 100.72 3fa3 n GLY 109 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3fa3 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa3 s VAL 110 N -2.00 2.91 -0.01 1.61 1.01 -0.28 -4.49 120.40 119.15 3fa3 s VAL 110 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 3fa3 s VAL 110 Cb 0.00 -3.16 -0.19 0.00 0.00 0.00 0.00 36.38 33.03 3fa3 s VAL 110 CO 0.00 -0.01 1.29 0.00 0.00 0.00 0.00 175.10 176.39 3fa3 h ALA 111 N 9.04 0.04 -2.61 5.51 0.00 -1.30 -3.43 119.26 126.51 3fa3 h ALA 111 Ca -0.45 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 3fa3 h ALA 111 Cb 1.21 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 3fa3 h ALA 111 CO 0.94 -0.19 -0.69 0.00 0.00 0.00 0.00 179.25 179.31 3fa3 s ALA 112 N -4.31 0.34 0.05 0.00 0.00 -0.95 -2.06 121.76 114.83 3fa3 s ALA 112 Ca -0.16 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 3fa3 s ALA 112 Cb 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 3fa3 s ALA 112 CO 0.69 -0.26 0.12 -0.59 0.00 0.00 0.00 175.76 175.72 3fa3 s PHE 113 N -2.69 0.18 0.03 0.00 -0.12 -0.41 -0.28 117.98 114.69 3fa3 s PHE 113 Ca -0.04 -0.50 0.08 0.00 -0.05 0.00 0.00 56.93 56.42 3fa3 s PHE 113 Cb -0.01 -0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.23 3fa3 s PHE 113 CO -0.05 -0.41 -0.21 -3.38 -0.05 0.00 0.00 175.22 171.12 3fa3 s HIS 114 N -2.85 2.47 -0.11 3.49 -3.43 -0.99 -0.88 115.29 112.98 3fa3 s HIS 114 Ca -0.03 -0.32 0.02 0.00 -0.80 0.00 0.00 55.06 53.93 3fa3 s HIS 114 Cb 0.00 -1.46 0.01 0.00 -1.43 0.00 0.00 32.58 29.71 3fa3 s HIS 114 CO -0.06 0.18 -0.16 0.42 -2.00 0.00 0.00 174.74 173.12 3fa3 s ILE 115 N -0.84 1.59 0.49 -5.38 -1.09 -0.25 -2.72 121.20 113.00 3fa3 s ILE 115 Ca 0.13 -0.70 0.08 0.00 -2.23 0.00 0.00 60.65 57.93 3fa3 s ILE 115 Cb -0.10 -1.45 0.04 0.00 -1.58 0.00 0.00 42.46 39.37 3fa3 s ILE 115 CO 0.03 0.46 0.61 -1.83 -1.23 0.00 0.00 174.94 172.98 3fa3 s GLU 116 N 0.96 2.55 -0.24 2.79 -1.05 -0.50 -1.41 118.70 121.80 3fa3 s GLU 116 Ca -0.07 -1.49 0.14 0.00 -0.15 0.00 0.00 54.97 53.40 3fa3 s GLU 116 Cb -0.15 -2.62 0.80 0.00 -0.44 0.00 0.00 34.13 31.72 3fa3 s GLU 116 CO -0.02 -0.50 1.74 -0.40 0.95 0.00 0.00 175.26 177.03 3fa3 n ASP 117 N -1.95 5.55 -4.84 0.83 5.75 -1.16 -4.72 116.55 116.02 3fa3 n ASP 117 Ca 0.10 -2.97 -0.31 0.00 -0.01 0.00 0.00 54.79 51.59 3fa3 n ASP 117 Cb 0.61 -0.68 0.03 0.00 -1.03 0.00 0.00 41.12 40.05 3fa3 n ASP 117 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3fa3 s GLN 118 N -2.81 3.19 0.77 0.11 -0.21 -1.26 0.28 119.66 119.73 3fa3 s GLN 118 Ca 0.54 0.90 -0.15 0.00 0.02 0.00 0.00 55.36 56.67 3fa3 s GLN 118 Cb 0.42 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 32.40 3fa3 s GLN 118 CO 0.15 -0.90 0.73 0.28 -2.12 0.00 0.00 175.29 173.43 3fa3 n VAL 119 N -2.92 1.82 0.26 1.09 0.31 -0.88 -4.47 118.33 113.55 3fa3 n VAL 119 Ca 0.07 -0.33 0.14 0.00 -0.01 0.00 0.00 64.34 64.21 3fa3 n VAL 119 Cb 0.54 -0.88 0.69 0.00 -0.91 0.00 0.00 33.84 33.27 3fa3 n VAL 119 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3fa3 h GLN 120 N -0.59 0.00 -3.71 5.55 4.15 -1.96 -3.11 115.11 115.43 3fa3 h GLN 120 Ca -0.46 0.00 -0.74 0.00 0.77 0.00 0.00 58.65 58.23 3fa3 h GLN 120 Cb 1.33 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.92 3fa3 h GLN 120 CO 0.43 0.11 2.55 0.25 -1.93 0.00 0.00 178.83 180.24 3fa3 n THR 121 N -3.37 3.94 -1.58 2.39 -2.24 -1.26 -4.81 114.28 107.34 3fa3 n THR 121 Ca -0.01 -3.75 -0.29 0.00 -2.27 0.00 0.00 64.05 57.73 3fa3 n THR 121 Cb 0.30 -2.47 0.11 0.00 -2.10 0.00 0.00 70.33 66.16 3fa3 n THR 121 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3fa3 s LYS 122 N 1.66 1.63 0.05 -0.78 0.00 -1.18 -4.83 119.74 116.30 3fa3 s LYS 122 Ca 0.43 0.42 0.02 0.00 0.00 0.00 0.00 55.97 56.84 3fa3 s LYS 122 Cb 0.12 -1.89 -0.03 0.00 0.00 0.00 0.00 37.83 36.04 3fa3 s LYS 122 CO -0.04 -1.88 -0.08 -0.98 0.00 0.00 0.00 175.35 172.37 3fa3 s ARG 123 N -5.26 0.58 0.03 1.78 1.70 -1.26 -2.80 118.95 113.72 3fa3 s ARG 123 Ca 0.62 -0.83 -0.23 0.00 -0.47 0.00 0.00 55.73 54.83 3fa3 s ARG 123 Cb -0.14 -0.32 -0.12 0.00 -0.57 0.00 0.00 34.95 33.79 3fa3 s ARG 123 CO 0.53 0.05 0.58 0.00 -1.08 0.00 0.00 175.30 175.38 3fa3 n GLY 125 N 1.03 -0.83 0.32 0.00 0.00 -1.26 -1.16 105.19 103.29 3fa3 n GLY 125 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3fa3 n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fa3 n HIS 126 N -0.55 0.19 -3.66 1.61 8.25 -1.26 -4.67 115.22 115.12 3fa3 n HIS 126 Ca 0.02 -0.38 -0.33 0.00 -0.26 0.00 0.00 57.72 56.78 3fa3 n HIS 126 Cb 0.01 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.04 3fa3 n HIS 126 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fa3 s LEU 127 N -0.88 4.30 0.99 2.41 1.43 -0.31 -4.84 118.68 121.79 3fa3 s LEU 127 Ca 0.11 0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3fa3 s LEU 127 Cb 0.06 -3.17 0.19 0.00 0.03 0.00 0.00 46.19 43.30 3fa3 s LEU 127 CO 0.08 0.10 1.11 0.00 0.23 0.00 0.00 176.35 177.87 3fa3 s ALA 128 N -1.56 0.85 0.00 4.21 0.00 -1.26 -4.41 121.76 119.59 3fa3 s ALA 128 Ca 0.38 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3fa3 s ALA 128 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3fa3 s ALA 128 CO 0.22 -3.09 0.00 0.41 0.00 0.00 0.00 175.76 173.30 3fa3 n GLY 129 N 0.35 0.67 3.67 0.00 0.00 -1.26 -5.01 105.19 103.62 3fa3 n GLY 129 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fa3 n LYS 130 N -2.00 2.10 -4.46 1.61 5.02 -1.26 -4.96 118.16 114.21 3fa3 n LYS 130 Ca 0.00 0.75 -0.33 0.00 -2.02 0.00 0.00 58.31 56.71 3fa3 n LYS 130 Cb 0.00 -2.44 -0.16 0.00 -0.02 0.00 0.00 35.03 32.41 3fa3 n LYS 130 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fa3 s ILE 131 N 0.16 2.30 0.54 -0.18 -1.09 -1.26 -4.94 121.20 116.73 3fa3 s ILE 131 Ca 0.70 -0.88 0.09 0.00 -2.23 0.00 0.00 60.65 58.33 3fa3 s ILE 131 Cb -0.65 -1.95 0.07 0.00 -1.58 0.00 0.00 42.46 38.34 3fa3 s ILE 131 CO 0.47 0.53 0.72 -0.76 -1.23 0.00 0.00 174.94 174.67 3fa3 s LEU 132 N 0.96 3.20 0.55 2.97 1.43 -1.26 -2.06 118.68 124.47 3fa3 s LEU 132 Ca -0.03 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.35 3fa3 s LEU 132 Cb -0.15 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.30 3fa3 s LEU 132 CO -0.04 -1.20 0.45 0.54 0.23 0.00 0.00 176.35 176.33 3fa3 s VAL 133 N -2.61 1.70 0.40 -1.59 0.11 0.14 -4.35 120.40 114.20 3fa3 s VAL 133 Ca 0.59 -1.43 -0.00 0.00 -2.93 0.00 0.00 61.98 58.21 3fa3 s VAL 133 Cb -0.06 -2.13 -0.02 0.00 -1.53 0.00 0.00 36.38 32.64 3fa3 s VAL 133 CO 0.37 0.00 0.62 1.51 -3.33 0.00 0.00 175.10 174.26 3fa3 s ASP 134 N -4.33 6.10 0.12 3.54 -4.77 -1.26 -4.90 116.67 111.17 3fa3 s ASP 134 Ca 0.37 0.42 -0.30 0.00 -3.30 0.00 0.00 52.55 49.75 3fa3 s ASP 134 Cb -0.03 -1.84 -0.07 0.00 -1.09 0.00 0.00 42.92 39.88 3fa3 s ASP 134 CO 0.23 -0.48 1.59 0.74 0.70 0.00 0.00 175.17 177.94 3fa3 h THR 135 N 0.56 0.16 -0.46 2.11 2.02 -1.98 0.01 112.91 115.33 3fa3 h THR 135 Ca -0.48 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.75 3fa3 h THR 135 Cb 1.23 0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 3fa3 h THR 135 CO 0.60 0.00 -0.55 0.44 0.37 0.00 0.00 175.52 176.38 3fa3 h ASP 136 N -0.56 -1.86 -0.91 4.18 3.32 -1.99 0.16 116.42 118.77 3fa3 h ASP 136 Ca 0.05 0.25 0.21 0.00 0.02 0.00 0.00 57.03 57.56 3fa3 h ASP 136 Cb 0.64 0.77 -0.12 0.00 0.22 0.00 0.00 39.33 40.84 3fa3 h ASP 136 CO -0.33 -0.38 0.44 0.74 -1.72 0.00 0.00 179.24 177.99 3fa3 h THR 137 N -0.35 0.53 -0.14 0.35 2.02 -1.73 0.84 112.91 114.43 3fa3 h THR 137 Ca 0.08 -0.16 -0.18 0.00 0.77 0.00 0.00 66.41 66.92 3fa3 h THR 137 Cb 0.56 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3fa3 h THR 137 CO -0.62 0.09 -0.65 0.22 0.37 0.00 0.00 175.52 174.93 3fa3 h TYR 138 N 0.47 0.69 -0.17 3.16 3.20 0.27 -2.94 116.97 121.65 3fa3 h TYR 138 Ca 0.56 -0.27 -0.12 0.00 3.14 0.00 0.00 58.73 62.03 3fa3 h TYR 138 Cb 1.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 3fa3 h TYR 138 CO -0.11 1.03 -0.42 0.28 -1.64 0.00 0.00 178.16 177.30 3fa3 h VAL 139 N 0.38 1.31 -0.79 1.81 2.07 0.10 -2.27 116.25 118.87 3fa3 h VAL 139 Ca -0.01 -1.58 0.12 0.00 0.82 0.00 0.00 66.70 66.05 3fa3 h VAL 139 Cb 1.22 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 3fa3 h VAL 139 CO 0.12 0.48 0.40 0.74 0.02 0.00 0.00 177.57 179.33 3fa3 h THR 140 N 0.32 0.79 0.02 2.57 2.02 -1.01 0.53 112.91 118.16 3fa3 h THR 140 Ca 0.03 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3fa3 h THR 140 Cb 0.88 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3fa3 h THR 140 CO 0.07 0.11 -0.01 0.03 0.37 0.00 0.00 175.52 176.10 3fa3 h ARG 141 N 0.62 -0.03 -0.30 6.66 3.08 -1.26 -1.71 114.38 121.45 3fa3 h ARG 141 Ca 0.41 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.47 3fa3 h ARG 141 Cb 0.50 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3fa3 h ARG 141 CO -0.32 0.23 0.18 0.82 -1.07 0.00 0.00 179.97 179.81 3fa3 h ILE 142 N -0.29 1.04 0.00 2.04 1.08 -0.88 -2.12 117.51 118.37 3fa3 h ILE 142 Ca -0.00 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 3fa3 h ILE 142 Cb 0.27 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 3fa3 h ILE 142 CO 0.00 0.07 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.13 3fa3 h ARG 143 N 0.36 0.00 -0.07 2.37 2.43 0.08 -1.79 114.38 117.76 3fa3 h ARG 143 Ca 0.12 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.06 3fa3 h ARG 143 Cb -0.01 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3fa3 h ARG 143 CO -0.05 0.31 -0.85 0.00 -1.51 0.00 0.00 179.97 177.87 3fa3 h ALA 144 N 1.69 0.20 -0.37 2.80 0.00 -0.81 1.00 119.26 123.77 3fa3 h ALA 144 Ca -0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 3fa3 h ALA 144 Cb 0.62 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3fa3 h ALA 144 CO 0.04 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 3fa3 h ALA 145 N 0.46 0.51 -0.29 0.00 0.00 -1.07 0.31 119.26 119.18 3fa3 h ALA 145 Ca -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3fa3 h ALA 145 Cb 1.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3fa3 h ALA 145 CO 0.17 0.31 0.17 -0.39 0.00 0.00 0.00 179.25 179.52 3fa3 h VAL 146 N 0.49 1.04 -0.66 0.00 -1.51 -1.38 -0.26 116.25 113.97 3fa3 h VAL 146 Ca 0.10 -0.12 -0.07 0.00 -1.23 0.00 0.00 66.70 65.38 3fa3 h VAL 146 Cb 0.52 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 30.31 3fa3 h VAL 146 CO 0.03 0.06 0.15 1.56 -1.23 0.00 0.00 177.57 178.14 3fa3 h GLN 147 N 0.35 1.05 -0.63 5.19 4.20 -0.59 -2.80 115.11 121.89 3fa3 h GLN 147 Ca 0.11 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3fa3 h GLN 147 Cb -0.01 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3fa3 h GLN 147 CO -0.05 0.94 0.33 0.00 -0.67 0.00 0.00 178.83 179.38 3fa3 h ALA 148 N 1.15 1.40 -0.31 3.87 0.00 -0.20 -1.43 119.26 123.74 3fa3 h ALA 148 Ca 0.21 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3fa3 h ALA 148 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3fa3 h ALA 148 CO 0.00 0.49 -0.39 -0.09 0.00 0.00 0.00 179.25 179.27 3fa3 h ARG 149 N 0.88 0.73 0.00 0.00 2.43 -0.80 -3.03 114.38 114.60 3fa3 h ARG 149 Ca 0.22 -0.37 -0.22 0.00 -0.81 0.00 0.00 59.98 58.80 3fa3 h ARG 149 Cb 0.05 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3fa3 h ARG 149 CO -0.03 0.99 -1.10 1.96 -1.51 0.00 0.00 179.97 180.28 3fa3 h GLN 150 N 0.60 0.00 -0.38 0.20 4.20 -1.23 0.17 115.11 118.67 3fa3 h GLN 150 Ca 0.05 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.80 3fa3 h GLN 150 Cb 0.93 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3fa3 h GLN 150 CO 0.08 0.93 0.26 -0.09 -0.67 0.00 0.00 178.83 179.35 3fa3 h ARG 151 N 0.00 0.34 -0.07 1.46 2.43 -1.17 -2.06 114.38 115.30 3fa3 h ARG 151 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3fa3 h ARG 151 Cb 1.81 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 3fa3 h ARG 151 CO 0.12 0.22 0.00 0.44 -1.51 0.00 0.00 179.97 179.25 3fa3 n ILE 152 N -4.48 0.26 -3.06 1.20 -5.35 -1.14 -5.02 119.36 101.77 3fa3 n ILE 152 Ca 0.04 -0.63 -0.17 0.00 -0.27 0.00 0.00 62.75 61.73 3fa3 n ILE 152 Cb 0.20 1.00 0.04 0.00 -1.74 0.00 0.00 39.64 39.14 3fa3 n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fa3 n GLY 153 N 0.40 -0.16 3.84 3.28 0.00 -0.09 -5.03 105.19 107.43 3fa3 n GLY 153 Ca 0.06 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3fa3 n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fa3 s SER 154 N -3.01 6.83 0.00 1.61 0.15 -0.38 -4.95 113.70 113.94 3fa3 s SER 154 Ca 0.33 1.09 0.19 0.00 0.70 0.00 0.00 55.95 58.26 3fa3 s SER 154 Cb -0.14 -2.29 1.03 0.00 -1.71 0.00 0.00 66.02 62.91 3fa3 s SER 154 CO 0.40 0.09 1.55 0.47 1.20 0.00 0.00 173.24 176.95 3fa3 n ASP 155 N 0.75 0.00 -4.63 5.45 9.92 -1.26 -4.75 116.55 122.03 3fa3 n ASP 155 Ca -0.05 -0.27 -0.51 0.00 -0.53 0.00 0.00 54.79 53.43 3fa3 n ASP 155 Cb 0.52 -0.15 -0.06 0.00 -0.64 0.00 0.00 41.12 40.79 3fa3 n ASP 155 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fa3 n ILE 156 N -1.15 0.08 -2.74 0.53 3.06 -1.26 -4.75 119.36 113.14 3fa3 n ILE 156 Ca 0.11 -0.01 -0.43 0.00 -2.50 0.00 0.00 62.75 59.92 3fa3 n ILE 156 Cb 0.11 -1.13 -0.03 0.00 0.54 0.00 0.00 39.64 39.13 3fa3 n ILE 156 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3fa3 s VAL 157 N 1.26 4.60 -0.61 9.51 1.01 -0.88 -4.97 120.40 130.32 3fa3 s VAL 157 Ca 0.85 1.54 -0.21 0.00 0.00 0.00 0.00 61.98 64.17 3fa3 s VAL 157 Cb -0.88 -4.33 0.08 0.00 0.00 0.00 0.00 36.38 31.25 3fa3 s VAL 157 CO 0.47 -0.42 0.82 -0.69 0.00 0.00 0.00 175.10 175.29 3fa3 s VAL 158 N 3.44 4.59 -0.15 2.92 1.01 -1.26 -1.29 120.40 129.65 3fa3 s VAL 158 Ca 0.41 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 3fa3 s VAL 158 Cb -0.13 -4.56 -0.01 0.00 0.00 0.00 0.00 36.38 31.68 3fa3 s VAL 158 CO 0.15 -1.25 0.99 -0.63 0.00 0.00 0.00 175.10 174.36 3fa3 s ILE 159 N 3.35 4.77 -0.20 2.22 1.01 -0.06 -1.44 121.20 130.86 3fa3 s ILE 159 Ca 0.17 1.97 -0.18 0.00 0.00 0.00 0.00 60.65 62.61 3fa3 s ILE 159 Cb -0.20 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 3fa3 s ILE 159 CO 0.09 -0.04 0.50 0.00 0.00 0.00 0.00 174.94 175.49 3fa3 s ALA 160 N 2.34 3.54 -0.03 9.38 0.00 0.79 -1.09 121.76 136.69 3fa3 s ALA 160 Ca 0.46 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.06 3fa3 s ALA 160 Cb -0.17 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 3fa3 s ALA 160 CO 0.14 -0.41 -0.21 0.50 0.00 0.00 0.00 175.76 175.78 3fa3 s ARG 161 N 1.56 1.91 0.03 0.00 3.52 -0.50 -0.31 118.95 125.16 3fa3 s ARG 161 Ca 0.23 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 55.16 3fa3 s ARG 161 Cb -0.15 -1.73 -0.03 0.00 -1.56 0.00 0.00 34.95 31.48 3fa3 s ARG 161 CO 0.09 0.38 -0.20 -0.08 -0.81 0.00 0.00 175.30 174.68 3fa3 s THR 162 N -0.27 2.66 -0.59 4.11 -1.32 -0.92 -2.98 115.64 116.34 3fa3 s THR 162 Ca 0.02 -1.17 0.16 0.00 -1.21 0.00 0.00 61.69 59.48 3fa3 s THR 162 Cb -0.10 -2.09 0.63 0.00 -1.51 0.00 0.00 72.50 69.43 3fa3 s THR 162 CO 0.01 0.38 1.54 0.47 -2.21 0.00 0.00 174.62 174.81 3fa3 n ASP 163 N 1.71 4.46 -0.31 8.08 8.00 -1.26 -2.46 116.55 134.78 3fa3 n ASP 163 Ca -0.16 -2.69 0.14 0.00 0.71 0.00 0.00 54.79 52.79 3fa3 n ASP 163 Cb 0.52 -0.55 0.57 0.00 -0.02 0.00 0.00 41.12 41.65 3fa3 n ASP 163 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fa3 n SER 164 N 0.39 1.03 0.14 -2.24 3.41 -1.26 -3.87 113.62 111.22 3fa3 n SER 164 Ca 0.23 -1.17 -0.13 0.00 -0.26 0.00 0.00 58.87 57.55 3fa3 n SER 164 Cb 0.90 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.79 3fa3 n SER 164 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fa3 h LEU 165 N 1.51 -0.33 -1.24 1.04 5.85 -1.85 0.15 115.31 120.44 3fa3 h LEU 165 Ca 0.00 -0.20 0.17 0.00 0.84 0.00 0.00 57.88 58.69 3fa3 h LEU 165 Cb 0.41 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 3fa3 h LEU 165 CO 0.00 0.08 0.60 -0.61 -0.34 0.00 0.00 178.44 178.17 3fa3 h GLN 166 N -0.81 0.64 0.05 1.25 4.15 -1.87 -2.26 115.11 116.26 3fa3 h GLN 166 Ca -0.04 -0.04 -0.36 0.00 0.77 0.00 0.00 58.65 58.98 3fa3 h GLN 166 Cb 0.51 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 3fa3 h GLN 166 CO 0.07 0.43 -2.03 0.25 -1.93 0.00 0.00 178.83 175.61 3fa3 n THR 167 N -4.61 1.62 -0.05 2.39 -2.24 -1.16 -4.66 114.28 105.58 3fa3 n THR 167 Ca 0.20 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3fa3 n THR 167 Cb 0.55 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 3fa3 n THR 167 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fa3 n HIS 168 N -3.75 0.00 0.00 4.78 8.25 0.52 -5.13 115.22 119.89 3fa3 n HIS 168 Ca -0.39 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 3fa3 n HIS 168 Cb 0.93 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 3fa3 n HIS 168 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 169 N -0.05 0.67 0.19 -1.41 0.00 -0.85 -4.31 105.19 99.43 3fa3 n GLY 169 Ca 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 3fa3 n GLY 169 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fa3 h TYR 170 N 0.00 0.58 -0.06 1.61 3.20 -1.88 -2.75 116.97 117.67 3fa3 h TYR 170 Ca 0.00 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 3fa3 h TYR 170 Cb 0.00 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.09 3fa3 h TYR 170 CO 0.00 0.42 -0.56 0.93 -1.64 0.00 0.00 178.16 177.31 3fa3 h GLU 171 N 0.57 0.49 -0.62 1.82 4.39 -1.97 -1.29 114.58 117.96 3fa3 h GLU 171 Ca 0.15 -0.45 0.06 0.00 0.34 0.00 0.00 59.36 59.47 3fa3 h GLU 171 Cb 0.02 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 3fa3 h GLU 171 CO -0.03 1.08 0.41 1.49 -1.16 0.00 0.00 179.01 180.81 3fa3 h GLU 172 N 0.06 0.59 -0.61 2.33 4.57 -1.75 -1.30 114.58 118.46 3fa3 h GLU 172 Ca -0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3fa3 h GLU 172 Cb 1.23 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 3fa3 h GLU 172 CO 0.11 0.39 0.33 0.77 -1.18 0.00 0.00 179.01 179.43 3fa3 h SER 173 N 0.60 0.74 0.99 1.04 0.02 -0.95 -1.57 113.55 114.43 3fa3 h SER 173 Ca 0.27 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 61.00 3fa3 h SER 173 Cb 0.29 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3fa3 h SER 173 CO -0.08 0.60 -1.08 0.58 -1.14 0.00 0.00 176.83 175.71 3fa3 h VAL 174 N 0.84 0.85 -0.36 2.27 2.07 -0.99 -2.85 116.25 118.08 3fa3 h VAL 174 Ca 0.22 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 65.31 3fa3 h VAL 174 Cb 0.02 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3fa3 h VAL 174 CO -0.04 0.49 0.06 0.00 0.02 0.00 0.00 177.57 178.10 3fa3 h ALA 175 N 1.33 0.48 0.38 1.67 0.00 -0.54 -2.32 119.26 120.27 3fa3 h ALA 175 Ca -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3fa3 h ALA 175 Cb 1.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3fa3 h ALA 175 CO 0.07 0.18 -0.18 0.00 0.00 0.00 0.00 179.25 179.32 3fa3 h ARG 176 N 0.44 -0.49 -1.17 0.00 3.08 -1.36 -0.06 114.38 114.81 3fa3 h ARG 176 Ca 0.11 0.03 0.34 0.00 0.07 0.00 0.00 59.98 60.53 3fa3 h ARG 176 Cb 0.35 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3fa3 h ARG 176 CO 0.01 -0.20 0.84 -0.07 -1.07 0.00 0.00 179.97 179.47 3fa3 h LEU 177 N -0.77 0.04 0.00 3.04 3.38 -1.57 -1.78 115.31 117.66 3fa3 h LEU 177 Ca -0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3fa3 h LEU 177 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3fa3 h LEU 177 CO 0.09 0.01 -0.01 -0.09 0.09 0.00 0.00 178.44 178.52 3fa3 h ARG 178 N 0.03 0.00 -1.60 1.13 2.43 -0.78 -2.18 114.38 113.42 3fa3 h ARG 178 Ca 0.57 0.00 0.47 0.00 -0.81 0.00 0.00 59.98 60.21 3fa3 h ARG 178 Cb 2.20 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 31.68 3fa3 h ARG 178 CO -0.04 0.19 1.15 0.00 -1.51 0.00 0.00 179.97 179.76 3fa3 n ALA 179 N -2.76 1.54 -0.04 2.80 0.00 -0.10 -0.54 120.51 121.40 3fa3 n ALA 179 Ca -0.02 0.55 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 3fa3 n ALA 179 Cb 0.09 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.47 3fa3 n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 n ALA 180 N -2.75 1.37 0.19 0.00 0.00 -0.71 -2.70 120.51 115.93 3fa3 n ALA 180 Ca 0.37 -0.89 0.14 0.00 0.00 0.00 0.00 53.44 53.06 3fa3 n ALA 180 Cb 1.64 -0.60 0.75 0.00 0.00 0.00 0.00 19.45 21.24 3fa3 n ALA 180 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fa3 h ARG 181 N 0.01 0.00 0.04 0.00 2.43 -0.15 -2.23 114.38 114.49 3fa3 h ARG 181 Ca -0.40 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.51 3fa3 h ARG 181 Cb 2.06 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.63 3fa3 h ARG 181 CO 0.06 0.00 -1.07 0.22 -1.51 0.00 0.00 179.97 177.67 3fa3 h ASP 182 N 0.00 0.70 -0.03 -3.80 3.58 -1.23 -2.28 116.42 113.35 3fa3 h ASP 182 Ca 0.08 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.94 3fa3 h ASP 182 Cb 0.37 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.20 3fa3 h ASP 182 CO -0.00 1.40 0.00 0.00 -2.88 0.00 0.00 179.24 177.76 3fa3 n ALA 183 N -2.60 2.58 0.00 -0.78 0.00 -0.99 -4.87 120.51 113.84 3fa3 n ALA 183 Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3fa3 n ALA 183 Cb 0.90 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3fa3 n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 184 N 0.78 1.11 3.76 0.00 0.00 -0.86 -4.59 105.19 105.39 3fa3 n GLY 184 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 s ALA 185 N -2.00 2.57 -0.12 4.61 0.00 -0.87 -4.95 121.76 121.00 3fa3 s ALA 185 Ca 0.00 0.97 0.07 0.00 0.00 0.00 0.00 51.96 53.00 3fa3 s ALA 185 Cb 0.00 -3.43 -0.24 0.00 0.00 0.00 0.00 23.12 19.45 3fa3 s ALA 185 CO 0.00 -1.09 0.38 -0.25 0.00 0.00 0.00 175.76 174.79 3fa3 n ASP 186 N -1.55 1.19 -4.04 0.00 8.00 -0.52 -4.70 116.55 114.93 3fa3 n ASP 186 Ca 0.13 0.22 -0.20 0.00 0.71 0.00 0.00 54.79 55.65 3fa3 n ASP 186 Cb 0.50 -0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 3fa3 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fa3 s VAL 187 N -2.56 0.86 0.11 2.53 1.01 -1.23 -4.31 120.40 116.81 3fa3 s VAL 187 Ca -0.14 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3fa3 s VAL 187 Cb 0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 3fa3 s VAL 187 CO 0.79 0.25 0.35 -0.83 0.00 0.00 0.00 175.10 175.66 3fa3 s GLY 188 N -0.10 2.24 -0.37 4.51 0.00 -0.63 -0.15 107.32 112.82 3fa3 s GLY 188 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.19 3fa3 s GLY 188 CO -0.00 -0.47 0.27 -0.12 0.00 0.00 0.00 173.10 172.79 3fa3 s PHE 189 N -1.58 0.74 -0.35 1.90 5.99 0.58 -0.32 117.98 124.93 3fa3 s PHE 189 Ca 0.38 -1.79 -0.29 0.00 0.00 0.00 0.00 56.93 55.23 3fa3 s PHE 189 Cb -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 43.02 42.05 3fa3 s PHE 189 CO 0.23 -0.85 1.21 -1.17 -0.00 0.00 0.00 175.22 174.65 3fa3 s LEU 190 N 0.75 3.82 0.03 6.12 0.20 -1.26 -2.16 118.68 126.18 3fa3 s LEU 190 Ca 0.23 0.97 -0.17 0.00 0.69 0.00 0.00 54.13 55.85 3fa3 s LEU 190 Cb -0.13 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 42.03 3fa3 s LEU 190 CO -0.06 -1.09 0.49 -0.70 -0.29 0.00 0.00 176.35 174.69 3fa3 s GLU 191 N 4.15 4.06 -0.28 1.98 2.56 -1.03 -4.50 118.70 125.64 3fa3 s GLU 191 Ca 0.52 0.57 -0.01 0.00 0.00 0.00 0.00 54.97 56.04 3fa3 s GLU 191 Cb -0.13 -3.23 0.00 0.00 2.00 0.00 0.00 34.13 32.77 3fa3 s GLU 191 CO 0.23 0.66 0.24 0.41 -0.56 0.00 0.00 175.26 176.25 3fa3 n GLY 192 N 1.79 0.55 3.68 -1.50 0.00 -1.26 -4.78 105.19 103.67 3fa3 n GLY 192 Ca -0.12 -0.45 -0.46 0.00 0.00 0.00 0.00 46.02 44.99 3fa3 n GLY 192 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fa3 n ILE 193 N -2.68 0.25 0.19 -0.61 5.41 -1.26 -4.70 119.36 115.96 3fa3 n ILE 193 Ca -0.01 -0.04 0.08 0.00 1.00 0.00 0.00 62.75 63.77 3fa3 n ILE 193 Cb 0.52 -1.78 0.15 0.00 -0.71 0.00 0.00 39.64 37.82 3fa3 n ILE 193 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3fa3 h THR 194 N 4.38 0.40 -3.11 1.39 1.35 -1.93 -3.24 112.91 112.15 3fa3 h THR 194 Ca -0.46 -1.50 -0.00 0.00 -0.55 0.00 0.00 66.41 63.89 3fa3 h THR 194 Cb 1.25 2.15 -0.03 0.00 -1.73 0.00 0.00 68.15 69.79 3fa3 h THR 194 CO 0.92 0.22 0.21 -0.94 -0.25 0.00 0.00 175.52 175.68 3fa3 s SER 195 N -6.30 -0.05 0.16 5.36 1.04 -1.26 -4.56 113.70 108.09 3fa3 s SER 195 Ca 0.05 -0.95 0.17 0.00 0.48 0.00 0.00 55.95 55.71 3fa3 s SER 195 Cb 0.07 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 3fa3 s SER 195 CO 0.69 -1.51 1.05 -0.09 0.98 0.00 0.00 173.24 174.37 3fa3 h ARG 196 N 2.02 0.00 0.00 4.02 2.43 -1.93 -2.76 114.38 118.16 3fa3 h ARG 196 Ca -0.27 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.82 3fa3 h ARG 196 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3fa3 h ARG 196 CO 0.34 0.28 -0.41 1.05 -1.51 0.00 0.00 179.97 179.72 3fa3 h GLU 197 N 0.00 0.00 0.12 0.20 9.09 -1.99 -2.34 114.58 119.67 3fa3 h GLU 197 Ca -0.09 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.05 3fa3 h GLU 197 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.51 3fa3 h GLU 197 CO 0.04 0.41 -1.26 1.98 0.05 0.00 0.00 179.01 180.24 3fa3 h MET 198 N 0.00 0.25 -0.80 1.06 -1.53 -1.97 -0.27 114.93 111.67 3fa3 h MET 198 Ca -0.00 -0.43 0.07 0.00 -3.44 0.00 0.00 59.70 55.89 3fa3 h MET 198 Cb 1.03 0.16 -0.05 0.00 -0.55 0.00 0.00 31.60 32.19 3fa3 h MET 198 CO 0.05 1.20 0.52 0.00 0.14 0.00 0.00 176.91 178.82 3fa3 h ALA 199 N 0.60 1.65 -0.32 0.39 0.00 -1.28 0.22 119.26 120.52 3fa3 h ALA 199 Ca -0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3fa3 h ALA 199 Cb 1.97 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3fa3 h ALA 199 CO 0.20 0.22 -0.08 -0.09 0.00 0.00 0.00 179.25 179.50 3fa3 h ARG 200 N 0.84 0.62 0.61 0.00 2.43 -1.41 -3.27 114.38 114.22 3fa3 h ARG 200 Ca 0.35 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3fa3 h ARG 200 Cb 0.27 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3fa3 h ARG 200 CO -0.13 0.80 -0.30 1.96 -1.51 0.00 0.00 179.97 180.80 3fa3 h GLN 201 N 0.40 -0.80 -1.34 0.20 1.08 0.41 -3.15 115.11 111.91 3fa3 h GLN 201 Ca 0.08 0.05 0.42 0.00 -1.45 0.00 0.00 58.65 57.76 3fa3 h GLN 201 Cb 0.57 0.18 -0.11 0.00 -0.05 0.00 0.00 27.48 28.07 3fa3 h GLN 201 CO 0.03 -0.53 0.89 -0.24 -0.95 0.00 0.00 178.83 178.03 3fa3 h VAL 202 N -1.00 0.19 -0.03 -0.54 3.04 -0.78 0.11 116.25 117.24 3fa3 h VAL 202 Ca -0.08 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3fa3 h VAL 202 Cb 0.63 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 29.98 3fa3 h VAL 202 CO 0.14 0.02 0.01 0.40 -1.01 0.00 0.00 177.57 177.13 3fa3 h ILE 203 N 0.11 1.13 -0.22 3.17 2.04 -1.59 -2.22 117.51 119.92 3fa3 h ILE 203 Ca 0.78 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 66.32 3fa3 h ILE 203 Cb 2.53 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 39.88 3fa3 h ILE 203 CO -0.33 0.10 -0.14 -0.61 0.00 0.00 0.00 178.15 177.17 3fa3 h GLN 204 N -0.10 -0.13 -0.34 2.37 5.75 -0.80 -1.18 115.11 120.68 3fa3 h GLN 204 Ca 0.01 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3fa3 h GLN 204 Cb 0.15 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3fa3 h GLN 204 CO -0.00 -0.08 0.13 -0.44 -2.65 0.00 0.00 178.83 175.78 3fa3 h ASP 205 N -0.13 0.43 -0.66 -0.69 5.19 -1.19 -2.14 116.42 117.24 3fa3 h ASP 205 Ca 0.13 -0.04 -0.45 0.00 -0.62 0.00 0.00 57.03 56.05 3fa3 h ASP 205 Cb 0.32 -0.11 -0.29 0.00 0.18 0.00 0.00 39.33 39.43 3fa3 h ASP 205 CO -0.31 0.41 -0.23 0.18 -3.12 0.00 0.00 179.24 176.17 3fa3 n LEU 206 N -4.39 5.20 -4.71 1.55 4.77 -0.84 -5.01 117.00 113.57 3fa3 n LEU 206 Ca 0.02 -4.34 -0.39 0.00 -0.03 0.00 0.00 56.01 51.27 3fa3 n LEU 206 Cb 0.15 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.70 3fa3 n LEU 206 CO 0.37 1.70 0.88 0.00 -1.33 0.00 0.00 177.39 179.01 3fa3 n ALA 207 N -0.90 1.26 0.00 -1.18 0.00 -0.46 -2.02 120.51 117.21 3fa3 n ALA 207 Ca 0.44 0.14 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3fa3 n ALA 207 Cb 0.92 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3fa3 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 208 N 0.86 2.78 3.28 0.00 0.00 -1.26 -5.06 105.19 105.79 3fa3 n GLY 208 Ca 0.10 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 3fa3 n GLY 208 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fa3 s TRP 209 N -1.06 2.63 0.20 1.61 -0.00 -0.86 -5.08 118.94 116.39 3fa3 s TRP 209 Ca 0.00 -0.86 -0.30 0.00 -0.00 0.00 0.00 56.10 54.94 3fa3 s TRP 209 Cb 0.00 -1.74 -0.08 0.00 -0.00 0.00 0.00 33.47 31.65 3fa3 s TRP 209 CO 0.00 -0.31 1.09 -2.14 -0.00 0.00 0.00 176.95 175.59 3fa3 s PRO 210 N 0.26 4.61 0.20 5.86 0.02 -1.26 -4.84 135.00 139.86 3fa3 s PRO 210 Ca -0.14 1.73 0.11 0.00 0.02 0.00 0.00 61.00 62.72 3fa3 s PRO 210 Cb -0.17 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.05 3fa3 s PRO 210 CO 0.07 0.12 -0.22 -0.51 -0.33 0.00 0.00 177.00 176.13 3fa3 s LEU 211 N -0.64 2.47 -0.12 -5.54 1.43 -1.26 -1.61 118.68 113.42 3fa3 s LEU 211 Ca 0.48 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3fa3 s LEU 211 Cb -0.30 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3fa3 s LEU 211 CO 0.36 0.06 -0.18 -0.22 0.23 0.00 0.00 176.35 176.60 3fa3 s LEU 212 N -2.85 2.41 -0.24 1.79 0.20 0.56 -1.23 118.68 119.32 3fa3 s LEU 212 Ca 0.22 -0.44 -0.12 0.00 0.69 0.00 0.00 54.13 54.47 3fa3 s LEU 212 Cb -0.07 -1.52 -0.05 0.00 -0.43 0.00 0.00 46.19 44.13 3fa3 s LEU 212 CO 0.10 0.16 0.24 -0.22 -0.29 0.00 0.00 176.35 176.34 3fa3 s LEU 213 N 0.38 4.11 -0.67 -0.68 2.96 0.64 -4.42 118.68 120.99 3fa3 s LEU 213 Ca -0.14 0.21 -0.22 0.00 -0.22 0.00 0.00 54.13 53.76 3fa3 s LEU 213 Cb -0.17 -2.24 0.08 0.00 0.50 0.00 0.00 46.19 44.36 3fa3 s LEU 213 CO 0.07 -0.00 0.95 0.21 -1.32 0.00 0.00 176.35 176.25 3fa3 s ASN 214 N 1.17 6.20 -1.10 3.68 2.47 -1.26 -0.81 114.94 125.30 3fa3 s ASN 214 Ca 0.11 -1.11 -0.15 0.00 0.42 0.00 0.00 52.86 52.13 3fa3 s ASN 214 Cb -0.14 -2.40 0.17 0.00 -1.45 0.00 0.00 41.25 37.42 3fa3 s ASN 214 CO 0.06 -1.38 1.28 -0.32 -3.72 0.00 0.00 177.10 173.02 3fa3 s MET 215 N 3.83 3.93 -0.23 0.43 -2.45 0.18 -4.78 119.30 120.21 3fa3 s MET 215 Ca 0.22 -2.39 -0.11 0.00 -1.25 0.00 0.00 55.69 52.16 3fa3 s MET 215 Cb -0.17 -4.94 -0.05 0.00 1.25 0.00 0.00 34.83 30.92 3fa3 s MET 215 CO 0.08 -1.69 0.16 0.08 1.05 0.00 0.00 175.02 174.70 3fa3 s VAL 216 N 1.56 5.37 0.41 10.11 1.01 -1.26 -4.36 120.40 133.24 3fa3 s VAL 216 Ca 0.37 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 3fa3 s VAL 216 Cb -0.04 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 3fa3 s VAL 216 CO -0.04 0.37 0.82 -1.61 0.00 0.00 0.00 175.10 174.64 3fa3 s GLU 217 N 0.87 3.92 -1.53 2.72 2.02 -1.26 -4.20 118.70 121.24 3fa3 s GLU 217 Ca 0.08 0.69 -0.04 0.00 0.02 0.00 0.00 54.97 55.72 3fa3 s GLU 217 Cb -0.13 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.78 3fa3 s GLU 217 CO 0.03 -0.03 0.56 0.72 0.02 0.00 0.00 175.26 176.56 3fa3 n HIS 218 N -1.02 -1.85 0.00 1.61 8.25 -1.26 -4.93 115.22 116.01 3fa3 n HIS 218 Ca 0.04 0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 3fa3 n HIS 218 Cb 0.54 -4.39 0.00 0.00 1.12 0.00 0.00 29.99 27.26 3fa3 n HIS 218 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fa3 n GLY 219 N -1.48 2.11 0.12 -1.41 0.00 -1.26 -5.05 105.19 98.23 3fa3 n GLY 219 Ca -0.12 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.87 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 h ALA 220 N 1.00 0.63 -3.26 4.61 0.00 -1.88 -3.46 119.26 116.90 3fa3 h ALA 220 Ca 0.00 -0.60 -0.61 0.00 0.00 0.00 0.00 54.91 53.70 3fa3 h ALA 220 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 3fa3 h ALA 220 CO 0.00 0.77 -0.52 0.99 0.00 0.00 0.00 179.25 180.49 3fa3 s THR 221 N -2.92 5.15 0.61 0.00 2.01 -1.22 -4.39 115.64 114.88 3fa3 s THR 221 Ca 0.02 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.97 3fa3 s THR 221 Cb 0.08 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 3fa3 s THR 221 CO 0.77 0.46 1.05 -2.16 -0.69 0.00 0.00 174.62 174.04 3fa3 s PRO 222 N 0.31 3.32 -0.13 4.92 0.04 -1.26 -4.59 135.00 137.61 3fa3 s PRO 222 Ca 0.06 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 3fa3 s PRO 222 Cb -0.12 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3fa3 s PRO 222 CO -0.01 -0.80 1.17 -1.54 0.04 0.00 0.00 177.00 175.86 3fa3 s SER 223 N -3.17 7.05 -0.05 6.66 1.04 -1.26 -4.96 113.70 119.01 3fa3 s SER 223 Ca 0.61 1.66 0.04 0.00 0.48 0.00 0.00 55.95 58.74 3fa3 s SER 223 Cb -0.14 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.43 3fa3 s SER 223 CO 0.42 -0.64 -0.15 -0.63 0.98 0.00 0.00 173.24 173.21 3fa3 s ILE 224 N 2.80 1.31 0.65 -1.02 1.01 -1.26 -5.13 121.20 119.57 3fa3 s ILE 224 Ca 0.53 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 3fa3 s ILE 224 Cb -0.21 -1.15 0.08 0.00 0.01 0.00 0.00 42.46 41.19 3fa3 s ILE 224 CO 0.16 0.39 0.91 -0.94 0.00 0.00 0.00 174.94 175.46 3fa3 s SER 225 N 0.24 4.77 0.08 3.58 1.04 -1.26 -4.89 113.70 117.27 3fa3 s SER 225 Ca -0.07 -0.10 -0.29 0.00 0.48 0.00 0.00 55.95 55.97 3fa3 s SER 225 Cb -0.13 -0.52 -0.12 0.00 0.10 0.00 0.00 66.02 65.35 3fa3 s SER 225 CO 0.03 -1.54 1.45 0.00 0.98 0.00 0.00 173.24 174.16 3fa3 h ALA 226 N -0.31 -0.94 -0.27 5.32 0.00 -2.00 0.60 119.26 121.67 3fa3 h ALA 226 Ca -0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3fa3 h ALA 226 Cb 1.29 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 3fa3 h ALA 226 CO 0.48 -1.04 -0.06 0.00 0.00 0.00 0.00 179.25 178.63 3fa3 h ALA 227 N -0.76 1.40 -0.17 0.00 0.00 -1.99 -1.64 119.26 116.11 3fa3 h ALA 227 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3fa3 h ALA 227 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fa3 h ALA 227 CO -0.22 0.42 -0.33 1.49 0.00 0.00 0.00 179.25 180.60 3fa3 h GLU 228 N 0.40 0.34 0.00 0.00 4.81 -1.83 -0.89 114.58 117.41 3fa3 h GLU 228 Ca 0.08 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 3fa3 h GLU 228 Cb 0.37 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3fa3 h GLU 228 CO 0.02 0.64 -0.98 0.00 -0.73 0.00 0.00 179.01 177.96 3fa3 h ALA 229 N 1.35 0.65 -0.43 2.92 0.00 -0.48 -2.82 119.26 120.46 3fa3 h ALA 229 Ca 0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 3fa3 h ALA 229 Cb 0.74 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3fa3 h ALA 229 CO 0.06 0.77 -0.03 -0.22 0.00 0.00 0.00 179.25 179.83 3fa3 h LYS 230 N 0.00 0.77 0.37 0.00 3.64 -0.97 0.18 116.57 120.56 3fa3 h LYS 230 Ca -0.08 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 3fa3 h LYS 230 Cb 1.49 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3fa3 h LYS 230 CO 0.06 0.86 -0.18 0.93 -2.27 0.00 0.00 179.45 178.85 3fa3 h GLU 231 N 0.61 -0.48 -1.27 1.90 5.08 -1.17 -1.62 114.58 117.63 3fa3 h GLU 231 Ca 0.12 0.03 0.37 0.00 -1.00 0.00 0.00 59.36 58.88 3fa3 h GLU 231 Cb 0.53 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 3fa3 h GLU 231 CO 0.03 -0.23 0.90 0.52 -1.00 0.00 0.00 179.01 179.22 3fa3 h MET 232 N -0.65 0.05 0.00 2.33 2.86 -1.55 -3.45 114.93 114.52 3fa3 h MET 232 Ca -0.05 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3fa3 h MET 232 Cb 0.47 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3fa3 h MET 232 CO 0.08 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.50 3fa3 n GLY 233 N -1.74 1.23 3.91 8.32 0.00 -0.61 -4.92 105.19 111.37 3fa3 n GLY 233 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 3fa3 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fa3 s PHE 234 N -2.00 3.52 -0.14 1.61 0.40 0.00 -4.72 117.98 116.66 3fa3 s PHE 234 Ca 0.00 0.78 0.10 0.00 -0.60 0.00 0.00 56.93 57.20 3fa3 s PHE 234 Cb 0.00 -2.35 -0.16 0.00 0.51 0.00 0.00 43.02 41.03 3fa3 s PHE 234 CO 0.00 -0.34 0.01 0.54 0.70 0.00 0.00 175.22 176.13 3fa3 n ARG 235 N -2.29 1.53 -4.01 0.44 5.12 -0.37 -4.67 116.66 112.42 3fa3 n ARG 235 Ca 0.01 0.01 -0.21 0.00 -1.93 0.00 0.00 57.85 55.73 3fa3 n ARG 235 Cb 0.55 -1.35 -0.17 0.00 -1.16 0.00 0.00 32.46 30.34 3fa3 n ARG 235 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fa3 s ILE 236 N -2.33 0.48 -0.16 0.55 1.01 -1.04 0.73 121.20 120.44 3fa3 s ILE 236 Ca -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3fa3 s ILE 236 Cb 0.04 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 3fa3 s ILE 236 CO 0.52 0.24 -0.09 -0.51 0.00 0.00 0.00 174.94 175.10 3fa3 s ILE 237 N 1.30 3.35 0.10 2.92 2.07 -0.72 -0.26 121.20 129.96 3fa3 s ILE 237 Ca -0.05 -0.54 0.06 0.00 -1.41 0.00 0.00 60.65 58.71 3fa3 s ILE 237 Cb -0.13 -2.45 -0.04 0.00 0.13 0.00 0.00 42.46 39.96 3fa3 s ILE 237 CO -0.02 0.49 -0.06 0.27 -1.91 0.00 0.00 174.94 173.71 3fa3 s ILE 238 N 0.61 3.62 -0.57 2.00 -4.36 0.01 -1.29 121.20 121.22 3fa3 s ILE 238 Ca -0.05 -1.15 0.04 0.00 -0.26 0.00 0.00 60.65 59.23 3fa3 s ILE 238 Cb -0.15 -2.70 0.16 0.00 1.25 0.00 0.00 42.46 41.02 3fa3 s ILE 238 CO 0.03 0.12 0.41 -0.36 0.24 0.00 0.00 174.94 175.38 3fa3 s PHE 239 N -1.25 2.56 0.34 1.37 0.40 -1.16 0.51 117.98 120.75 3fa3 s PHE 239 Ca 0.23 -2.89 0.12 0.00 -0.60 0.00 0.00 56.93 53.78 3fa3 s PHE 239 Cb -0.11 -2.03 0.94 0.00 0.51 0.00 0.00 43.02 42.33 3fa3 s PHE 239 CO 0.15 -0.67 1.74 -1.35 0.70 0.00 0.00 175.22 175.79 3fa3 h PRO 240 N 5.67 0.52 -0.67 0.24 0.11 -1.88 -0.63 132.00 135.35 3fa3 h PRO 240 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3fa3 h PRO 240 Cb 0.83 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3fa3 h PRO 240 CO 0.58 0.34 0.00 1.19 -0.21 0.00 0.00 178.00 179.90 3fa3 n PHE 241 N -4.80 1.58 0.26 0.65 3.72 -1.26 -4.36 117.46 113.25 3fa3 n PHE 241 Ca 0.26 -0.55 0.15 0.00 -0.05 0.00 0.00 57.45 57.27 3fa3 n PHE 241 Cb 0.78 -0.40 0.63 0.00 -0.94 0.00 0.00 39.48 39.55 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fa3 h ALA 242 N 3.58 1.02 0.00 4.37 0.00 -1.50 0.10 119.26 126.83 3fa3 h ALA 242 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 242 Cb 1.61 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3fa3 h ALA 242 CO 0.36 0.07 -2.14 0.00 0.00 0.00 0.00 179.25 177.55 3fa3 n ALA 243 N -2.13 2.28 -0.10 0.00 0.00 -1.03 -4.64 120.51 114.90 3fa3 n ALA 243 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 53.44 52.43 3fa3 n ALA 243 Cb 0.33 -0.51 -0.13 0.00 0.00 0.00 0.00 19.45 19.14 3fa3 n ALA 243 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3fa3 n LEU 244 N -2.44 2.63 0.12 0.00 -0.00 -0.87 -2.79 117.00 113.64 3fa3 n LEU 244 Ca -0.15 -0.05 -0.12 0.00 -0.00 0.00 0.00 56.01 55.68 3fa3 n LEU 244 Cb 0.80 -0.81 -0.07 0.00 -0.00 0.00 0.00 43.42 43.33 3fa3 n LEU 244 CO 0.44 0.88 0.51 1.23 -0.00 0.00 0.00 177.39 180.45 3fa3 h GLY 245 N 2.03 -1.17 0.48 -3.96 0.00 -1.10 -2.01 103.07 97.35 3fa3 h GLY 245 Ca -0.54 0.59 0.10 0.00 0.00 0.00 0.00 47.33 47.48 3fa3 h GLY 245 CO -0.04 -0.33 0.47 -2.55 0.00 0.00 0.00 176.54 174.09 3fa3 h PRO 246 N -0.61 0.75 -0.60 4.80 0.11 -1.77 -0.38 132.00 134.30 3fa3 h PRO 246 Ca -0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3fa3 h PRO 246 Cb 0.58 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 3fa3 h PRO 246 CO -0.17 0.50 0.29 0.00 -0.21 0.00 0.00 178.00 178.41 3fa3 h ALA 247 N 1.47 1.39 -0.29 -0.75 0.00 -1.38 0.12 119.26 119.82 3fa3 h ALA 247 Ca 0.41 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3fa3 h ALA 247 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3fa3 h ALA 247 CO -0.26 0.48 -0.01 0.28 0.00 0.00 0.00 179.25 179.74 3fa3 h VAL 248 N 0.84 1.26 -0.22 0.00 2.07 -0.33 -0.48 116.25 119.39 3fa3 h VAL 248 Ca 0.21 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3fa3 h VAL 248 Cb 0.08 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3fa3 h VAL 248 CO -0.03 0.31 0.04 0.00 0.02 0.00 0.00 177.57 177.91 3fa3 h ALA 249 N 0.83 0.29 -0.13 1.67 0.00 -0.36 -1.12 119.26 120.44 3fa3 h ALA 249 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fa3 h ALA 249 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3fa3 h ALA 249 CO 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 179.25 179.26 3fa3 h ALA 250 N 0.84 0.17 -0.62 0.00 0.00 -0.78 -2.65 119.26 116.22 3fa3 h ALA 250 Ca 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3fa3 h ALA 250 Cb 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3fa3 h ALA 250 CO 0.00 -0.19 0.35 0.52 0.00 0.00 0.00 179.25 179.93 3fa3 h MET 251 N -0.00 0.64 -0.66 0.00 2.86 -1.06 -0.40 114.93 116.32 3fa3 h MET 251 Ca 0.04 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3fa3 h MET 251 Cb 0.27 -0.15 -0.08 0.00 0.06 0.00 0.00 31.60 31.71 3fa3 h MET 251 CO 0.00 0.43 0.27 0.00 1.06 0.00 0.00 176.91 178.67 3fa3 h ARG 252 N 0.66 0.45 -0.19 1.72 3.08 -0.99 -1.57 114.38 117.53 3fa3 h ARG 252 Ca 0.27 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 3fa3 h ARG 252 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3fa3 h ARG 252 CO -0.16 0.30 0.03 1.49 -1.07 0.00 0.00 179.97 180.55 3fa3 h GLU 253 N 0.46 0.32 -1.00 0.04 4.57 -1.11 -2.78 114.58 115.09 3fa3 h GLU 253 Ca 0.33 -0.09 0.17 0.00 -1.18 0.00 0.00 59.36 58.60 3fa3 h GLU 253 Cb 0.41 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.87 3fa3 h GLU 253 CO -0.31 0.49 0.62 0.00 -1.18 0.00 0.00 179.01 178.62 3fa3 h ALA 254 N 0.82 1.66 -0.12 2.92 0.00 -0.67 -0.14 119.26 123.73 3fa3 h ALA 254 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3fa3 h ALA 254 Cb 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fa3 h ALA 254 CO 0.00 0.01 -0.07 0.52 0.00 0.00 0.00 179.25 179.72 3fa3 h MET 255 N 0.81 0.25 -1.00 0.00 2.86 -1.15 -1.13 114.93 115.57 3fa3 h MET 255 Ca 0.55 -0.11 0.07 0.00 -2.06 0.00 0.00 59.70 58.14 3fa3 h MET 255 Cb 0.79 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.38 3fa3 h MET 255 CO -0.34 0.61 0.65 0.93 1.06 0.00 0.00 176.91 179.82 3fa3 h GLU 256 N -0.11 1.14 0.00 1.72 4.39 -1.12 -0.90 114.58 119.69 3fa3 h GLU 256 Ca 0.02 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 3fa3 h GLU 256 Cb 0.54 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3fa3 h GLU 256 CO 0.02 0.75 -0.43 -0.22 -1.16 0.00 0.00 179.01 177.98 3fa3 h LYS 257 N 1.17 0.00 -0.02 2.33 3.64 -0.91 -2.17 116.57 120.61 3fa3 h LYS 257 Ca 0.43 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.63 3fa3 h LYS 257 Cb 0.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3fa3 h LYS 257 CO -0.17 0.43 -0.80 1.25 -2.27 0.00 0.00 179.45 177.88 3fa3 h LEU 258 N 0.00 0.31 -0.30 5.20 5.85 0.13 0.13 115.31 126.63 3fa3 h LEU 258 Ca -0.00 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 3fa3 h LEU 258 Cb 0.79 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3fa3 h LEU 258 CO 0.06 0.99 -0.24 0.11 -0.34 0.00 0.00 178.44 179.01 3fa3 h LYS 259 N 0.15 0.70 -0.18 1.25 1.57 -1.29 0.30 116.57 119.07 3fa3 h LYS 259 Ca -0.04 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 3fa3 h LYS 259 Cb 1.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 3fa3 h LYS 259 CO 0.13 0.95 0.03 -0.09 -0.57 0.00 0.00 179.45 179.90 3fa3 h ARG 260 N 0.45 0.30 0.00 3.15 2.43 -1.22 -3.36 114.38 116.13 3fa3 h ARG 260 Ca 0.06 -0.08 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 3fa3 h ARG 260 Cb 0.80 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 3fa3 h ARG 260 CO 0.06 0.46 -2.17 -0.25 -1.51 0.00 0.00 179.97 176.57 3fa3 n ASP 261 N -4.76 0.46 0.00 -3.80 8.00 0.46 -4.97 116.55 111.94 3fa3 n ASP 261 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3fa3 n ASP 261 Cb 0.19 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.49 3fa3 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa3 n GLY 262 N 1.74 0.58 3.60 0.44 0.00 0.11 -5.00 105.19 106.65 3fa3 n GLY 262 Ca -0.23 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 3fa3 n GLY 262 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fa3 s ILE 263 N -2.00 0.00 0.20 -0.61 2.07 -1.24 -5.04 121.20 114.58 3fa3 s ILE 263 Ca 0.00 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.14 3fa3 s ILE 263 Cb 0.00 -1.00 0.14 0.00 0.13 0.00 0.00 42.46 41.73 3fa3 s ILE 263 CO 0.00 0.00 1.81 -0.65 -1.91 0.00 0.00 174.94 174.19 3fa3 h PRO 264 N 3.41 1.05 -1.40 3.50 0.11 -1.89 -3.41 132.00 133.36 3fa3 h PRO 264 Ca -0.24 -0.13 -0.12 0.00 0.11 0.00 0.00 66.00 65.63 3fa3 h PRO 264 Cb 1.17 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.09 3fa3 h PRO 264 CO 0.22 0.79 -0.17 0.41 -0.21 0.00 0.00 178.00 179.04 3fa3 n GLY 265 N -1.06 0.28 3.54 -0.55 0.00 -1.26 -4.84 105.19 101.30 3fa3 n GLY 265 Ca 0.07 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fa3 n LEU 266 N -1.18 1.83 -4.77 0.99 4.77 -1.26 -4.95 117.00 112.42 3fa3 n LEU 266 Ca -0.04 0.46 -0.37 0.00 -0.03 0.00 0.00 56.01 56.02 3fa3 n LEU 266 Cb 0.54 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.27 3fa3 n LEU 266 CO 0.12 -2.77 0.81 -0.62 -1.33 0.00 0.00 177.39 173.60 3fa3 s ASP 267 N -2.07 6.38 0.48 -1.43 2.15 -1.26 -4.88 116.67 116.03 3fa3 s ASP 267 Ca 0.64 2.24 0.24 0.00 0.43 0.00 0.00 52.55 56.10 3fa3 s ASP 267 Cb -0.26 -2.60 1.28 0.00 -0.30 0.00 0.00 42.92 41.04 3fa3 s ASP 267 CO 0.60 -0.77 1.90 0.07 -0.17 0.00 0.00 175.17 176.80 3fa3 h LYS 268 N 2.25 0.18 -0.92 4.34 2.10 -2.04 0.39 116.57 122.87 3fa3 h LYS 268 Ca -0.49 -0.01 0.15 0.00 -2.00 0.00 0.00 60.65 58.30 3fa3 h LYS 268 Cb 1.24 -0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 32.45 3fa3 h LYS 268 CO 0.61 0.12 0.59 1.05 -2.00 0.00 0.00 179.45 179.82 3fa3 h GLU 269 N 0.19 0.71 -5.30 0.07 4.11 -2.03 -3.36 114.58 108.97 3fa3 h GLU 269 Ca 0.40 -0.04 -0.70 0.00 0.07 0.00 0.00 59.36 59.09 3fa3 h GLU 269 Cb 1.30 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 3fa3 h GLU 269 CO -0.08 0.47 2.20 -1.33 0.07 0.00 0.00 179.01 180.33 3fa3 n MET 270 N -4.59 3.19 -1.82 1.06 2.81 0.14 -4.75 117.12 113.16 3fa3 n MET 270 Ca 0.18 -3.29 -0.31 0.00 -1.81 0.00 0.00 57.70 52.48 3fa3 n MET 270 Cb 0.48 -3.37 0.02 0.00 -0.71 0.00 0.00 33.22 29.64 3fa3 n MET 270 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3fa3 s THR 271 N 3.46 4.48 0.21 2.03 -4.23 -1.26 -4.89 115.64 115.43 3fa3 s THR 271 Ca 0.50 0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 61.73 3fa3 s THR 271 Cb 0.05 -3.71 0.19 0.00 1.34 0.00 0.00 72.50 70.36 3fa3 s THR 271 CO 0.04 -1.02 1.66 -0.65 -0.54 0.00 0.00 174.62 174.11 3fa3 h PRO 272 N -0.34 0.10 -0.75 3.99 0.11 -1.98 -2.41 132.00 130.72 3fa3 h PRO 272 Ca -0.44 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.78 3fa3 h PRO 272 Cb 1.20 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 3fa3 h PRO 272 CO 0.60 0.06 -0.40 1.96 -0.21 0.00 0.00 178.00 180.02 3fa3 h GLN 273 N 0.10 -0.11 -0.76 1.05 7.50 -1.94 0.02 115.11 120.97 3fa3 h GLN 273 Ca 0.31 0.01 0.15 0.00 0.50 0.00 0.00 58.65 59.61 3fa3 h GLN 273 Cb 0.49 0.03 -0.10 0.00 0.05 0.00 0.00 27.48 27.95 3fa3 h GLN 273 CO -0.52 -0.07 0.29 1.98 -1.50 0.00 0.00 178.83 179.00 3fa3 h MET 274 N -0.12 0.41 -0.15 1.46 4.05 -1.73 0.78 114.93 119.63 3fa3 h MET 274 Ca 0.25 -0.02 -0.21 0.00 -0.28 0.00 0.00 59.70 59.43 3fa3 h MET 274 Cb 0.56 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 31.27 3fa3 h MET 274 CO -0.80 0.27 -0.75 -0.07 0.23 0.00 0.00 176.91 175.79 3fa3 h LEU 275 N 0.42 0.87 -1.03 3.39 -0.00 -1.09 -1.72 115.31 116.15 3fa3 h LEU 275 Ca 0.42 -0.56 0.03 0.00 -0.00 0.00 0.00 57.88 57.77 3fa3 h LEU 275 Cb 0.65 -0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 3fa3 h LEU 275 CO -0.42 1.35 0.65 -0.26 -0.00 0.00 0.00 178.44 179.76 3fa3 h PHE 276 N 0.51 1.23 -0.24 1.13 0.05 -0.45 -2.57 116.94 116.59 3fa3 h PHE 276 Ca -0.04 0.03 -0.11 0.00 3.82 0.00 0.00 57.97 61.66 3fa3 h PHE 276 Cb 1.37 -0.41 -0.00 0.00 2.00 0.00 0.00 35.95 38.90 3fa3 h PHE 276 CO 0.08 0.73 -0.29 0.00 -0.18 0.00 0.00 178.31 178.65 3fa3 h ARG 277 N 1.29 0.62 0.00 1.51 3.08 -0.74 0.21 114.38 120.35 3fa3 h ARG 277 Ca 0.38 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3fa3 h ARG 277 Cb -0.06 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3fa3 h ARG 277 CO -0.11 0.95 0.57 0.28 -1.07 0.00 0.00 179.97 180.60 3fa3 h VAL 278 N 0.33 0.00 -0.04 2.04 2.07 -0.93 0.21 116.25 119.93 3fa3 h VAL 278 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3fa3 h VAL 278 Cb 0.86 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3fa3 h VAL 278 CO 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.65 3fa3 n GLY 280 N -1.29 0.69 0.29 0.00 0.00 0.74 -4.95 105.19 100.66 3fa3 n GLY 280 Ca 0.17 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.55 3fa3 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fa3 h LEU 281 N 0.00 0.44 -0.70 0.99 5.85 -1.47 0.18 115.31 120.60 3fa3 h LEU 281 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3fa3 h LEU 281 Cb 0.19 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3fa3 h LEU 281 CO 0.00 0.20 0.37 0.44 -0.34 0.00 0.00 178.44 179.12 3fa3 h ASP 282 N 0.57 0.88 -0.05 1.25 3.32 -1.85 0.28 116.42 120.82 3fa3 h ASP 282 Ca 0.41 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3fa3 h ASP 282 Cb 0.55 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3fa3 h ASP 282 CO -0.34 0.73 0.02 -0.08 -1.72 0.00 0.00 179.24 177.85 3fa3 h GLU 283 N 0.96 0.07 -0.70 3.56 4.22 -1.75 -2.75 114.58 118.19 3fa3 h GLU 283 Ca 0.25 -0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.79 3fa3 h GLU 283 Cb 0.06 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3fa3 h GLU 283 CO -0.04 0.18 0.30 0.77 -2.18 0.00 0.00 179.01 178.04 3fa3 h SER 284 N -0.06 0.33 0.75 1.04 0.02 -0.69 -0.36 113.55 114.57 3fa3 h SER 284 Ca 0.02 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3fa3 h SER 284 Cb 0.14 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3fa3 h SER 284 CO -0.00 0.17 0.00 0.23 -1.14 0.00 0.00 176.83 176.08 3fa3 n MET 285 N -4.95 0.05 -0.05 3.45 2.81 0.06 -2.83 117.12 115.67 3fa3 n MET 285 Ca 0.12 0.21 -0.12 0.00 -1.81 0.00 0.00 57.70 56.10 3fa3 n MET 285 Cb 0.33 -1.59 -0.14 0.00 -0.71 0.00 0.00 33.22 31.11 3fa3 n MET 285 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3fa3 n LYS 286 N -1.69 0.67 -0.06 0.03 4.81 -0.19 -2.66 118.16 119.08 3fa3 n LYS 286 Ca 0.04 0.20 -0.08 0.00 -0.87 0.00 0.00 58.31 57.60 3fa3 n LYS 286 Cb 0.25 -1.68 -0.01 0.00 0.02 0.00 0.00 35.03 33.60 3fa3 n LYS 286 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3fa3 h VAL 287 N 0.01 0.95 -0.17 3.15 2.07 -1.29 0.29 116.25 121.26 3fa3 h VAL 287 Ca -0.40 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3fa3 h VAL 287 Cb 2.07 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 3fa3 h VAL 287 CO 0.05 0.04 0.09 -0.78 0.02 0.00 0.00 177.57 177.00 3fa3 h ASP 288 N 0.22 0.21 -0.26 0.57 1.82 -1.61 -2.26 116.42 115.11 3fa3 h ASP 288 Ca 0.11 -0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 3fa3 h ASP 288 Cb 0.07 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 3fa3 h ASP 288 CO -0.11 0.22 0.07 0.00 -1.61 0.00 0.00 179.24 177.81 3fa3 h ALA 289 N 1.00 0.34 -0.23 -0.78 0.00 -1.37 -1.43 119.26 116.79 3fa3 h ALA 289 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fa3 h ALA 289 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fa3 h ALA 289 CO -0.01 -0.02 0.08 1.96 0.00 0.00 0.00 179.25 181.26 3fa3 h GLN 290 N 0.24 0.32 0.00 0.00 4.20 -0.94 -0.66 115.11 118.27 3fa3 h GLN 290 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3fa3 h GLN 290 Cb 0.27 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3fa3 h GLN 290 CO -0.00 0.28 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 3fa3 n ALA 291 N -2.50 2.50 0.00 3.87 0.00 -0.85 -4.86 120.51 118.66 3fa3 n ALA 291 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3fa3 n ALA 291 Cb 0.13 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3fa3 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fa3 n GLY 292 N 1.12 0.16 3.72 0.00 0.00 -0.25 -5.07 105.19 104.86 3fa3 n GLY 292 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3fa3 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 293 N -1.79 0.54 0.43 -0.02 0.00 -0.57 -4.94 105.19 98.83 3fa3 n GLY 293 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3fa3 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 294 N -1.19 3.06 0.30 4.61 0.00 -1.26 -3.79 120.51 122.23 3fa3 n ALA 294 Ca 0.11 -2.97 0.17 0.00 0.00 0.00 0.00 53.44 50.75 3fa3 n ALA 294 Cb 0.45 -0.38 0.81 0.00 0.00 0.00 0.00 19.45 20.33 3fa3 n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fa3 h ALA 295 N 0.60 1.00 -0.06 0.00 0.00 -1.92 -2.26 119.26 116.63 3fa3 h ALA 295 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fa3 h ALA 295 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3fa3 h ALA 295 CO 0.00 0.00 -0.26 1.19 0.00 0.00 0.00 179.25 180.18 3fa3 n PHE 296 N -2.77 0.18 -1.99 0.00 3.01 -1.26 -5.03 117.46 109.59 3fa3 n PHE 296 Ca -0.01 -1.31 -0.37 0.00 1.01 0.00 0.00 57.45 56.77 3fa3 n PHE 296 Cb 0.16 -0.25 0.03 0.00 -0.01 0.00 0.00 39.48 39.41 3fa3 n PHE 296 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3fa3 s ASP 297 N -2.97 5.29 0.00 4.37 1.01 -0.85 -1.30 116.67 122.22 3fa3 s ASP 297 Ca 0.37 2.45 0.00 0.00 0.71 0.00 0.00 52.55 56.08 3fa3 s ASP 297 Cb 0.34 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.67 3fa3 s ASP 297 CO -0.02 -1.53 0.00 0.61 0.21 0.00 0.00 175.17 174.44 3fa3 n GLY 298 N 0.56 0.09 7.00 0.21 0.00 -1.26 -4.79 105.19 107.00 3fa3 n GLY 298 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3fa3 n GLY 298 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fa3 n GLY 299 N -0.19 -0.74 0.00 -0.02 0.00 -0.42 -4.76 105.19 99.07 3fa3 n GLY 299 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3fa3 n GLY 299 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3fa3 n VAL 300 N -0.52 0.13 -2.97 1.61 3.14 -1.26 -4.93 118.33 113.53 3fa3 n VAL 300 Ca 0.00 -0.19 -0.40 0.00 -2.96 0.00 0.00 64.34 60.79 3fa3 n VAL 300 Cb 0.00 1.29 -0.04 0.00 -1.06 0.00 0.00 33.84 34.03 3fa3 n VAL 300 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3fa3 s ASP 301 N -0.13 7.09 0.88 6.55 1.01 -1.26 -5.00 116.67 125.81 3fa3 s ASP 301 Ca 0.00 1.31 -0.13 0.00 0.71 0.00 0.00 52.55 54.45 3fa3 s ASP 301 Cb 0.00 -2.45 0.05 0.00 1.01 0.00 0.00 42.92 41.53 3fa3 s ASP 301 CO 0.00 -0.13 0.72 0.00 0.21 0.00 0.00 175.17 175.97 3fa3 n LEU 302 N 3.70 1.53 0.00 1.23 -0.00 -1.26 -5.19 117.00 117.01 3fa3 n LEU 302 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 3fa3 n LEU 302 Cb 0.51 -1.32 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 3fa3 n LEU 302 CO 0.48 -2.89 0.17 2.29 -0.00 0.00 0.00 177.39 177.44