#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 2.64 0.22 -0.52 -1.94 -1.26 -5.11 119.30 113.33 3fa3 s MET 3 Ca 0.00 -2.58 -0.31 0.00 -1.71 0.00 0.00 55.69 51.08 3fa3 s MET 3 Cb 0.00 -3.76 -0.14 0.00 2.01 0.00 0.00 34.83 32.93 3fa3 s MET 3 CO 0.00 -1.18 1.26 0.28 -0.01 0.00 0.00 175.02 175.36 3fa3 n VAL 4 N 3.41 1.08 -4.23 -6.03 0.31 -1.26 -5.04 118.33 106.57 3fa3 n VAL 4 Ca 0.09 -0.27 -0.26 0.00 -0.01 0.00 0.00 64.34 63.89 3fa3 n VAL 4 Cb 0.38 -1.16 -0.08 0.00 -0.91 0.00 0.00 33.84 32.07 3fa3 n VAL 4 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3fa3 s THR 5 N -0.26 3.63 -0.27 2.52 -1.32 -1.26 -5.03 115.64 113.66 3fa3 s THR 5 Ca 0.69 -1.55 0.25 0.00 -1.21 0.00 0.00 61.69 59.86 3fa3 s THR 5 Cb -0.74 -2.85 0.32 0.00 -1.51 0.00 0.00 72.50 67.72 3fa3 s THR 5 CO 0.52 -0.18 1.69 0.00 -2.21 0.00 0.00 174.62 174.45 3fa3 h ALA 6 N 2.50 0.97 0.00 11.08 0.00 -1.80 -2.99 119.26 129.03 3fa3 h ALA 6 Ca -0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3fa3 h ALA 6 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fa3 h ALA 6 CO 0.58 0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.83 3fa3 h ALA 7 N 1.95 1.34 0.00 0.00 0.00 -1.80 -1.58 119.26 119.17 3fa3 h ALA 7 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fa3 h ALA 7 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3fa3 h ALA 7 CO 0.01 0.08 -0.09 1.79 0.00 0.00 0.00 179.25 181.04 3fa3 h THR 8 N 0.00 0.00 0.06 0.00 1.35 -1.83 -2.62 112.91 109.87 3fa3 h THR 8 Ca -0.00 -0.53 -0.25 0.00 -0.55 0.00 0.00 66.41 65.08 3fa3 h THR 8 Cb 0.20 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 3fa3 h THR 8 CO 0.01 0.00 -1.33 0.28 -0.25 0.00 0.00 175.52 174.23 3fa3 h SER 9 N 0.00 0.19 -1.00 5.36 0.02 -1.46 -2.73 113.55 113.93 3fa3 h SER 9 Ca 0.00 -0.73 0.22 0.00 -0.84 0.00 0.00 61.79 60.45 3fa3 h SER 9 Cb 0.77 -0.06 -0.12 0.00 0.14 0.00 0.00 62.40 63.13 3fa3 h SER 9 CO 0.00 1.56 0.59 0.25 -1.14 0.00 0.00 176.83 178.09 3fa3 h LEU 10 N -0.60 0.70 -0.04 5.07 5.85 -1.48 0.12 115.31 124.93 3fa3 h LEU 10 Ca -0.32 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3fa3 h LEU 10 Cb 1.55 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 3fa3 h LEU 10 CO -0.06 0.16 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.08 3fa3 h ARG 11 N 0.64 0.09 -0.08 1.25 2.43 -1.52 0.26 114.38 117.45 3fa3 h ARG 11 Ca 0.62 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.75 3fa3 h ARG 11 Cb 1.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3fa3 h ARG 11 CO -0.44 0.54 0.06 0.00 -1.51 0.00 0.00 179.97 178.61 3fa3 h ARG 12 N -0.35 0.08 0.30 0.20 2.47 -1.15 -3.17 114.38 112.76 3fa3 h ARG 12 Ca 0.01 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3fa3 h ARG 12 Cb 0.52 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3fa3 h ARG 12 CO 0.01 0.05 -0.14 0.00 0.56 0.00 0.00 179.97 180.45 3fa3 h ALA 13 N 1.95 -0.40 0.00 0.04 0.00 -0.51 -3.22 119.26 117.12 3fa3 h ALA 13 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3fa3 h ALA 13 Cb 0.03 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3fa3 h ALA 13 CO -0.01 -0.48 0.02 1.28 0.00 0.00 0.00 179.25 180.07 3fa3 n LEU 14 N -5.07 0.00 0.04 0.00 4.77 0.06 0.03 117.00 116.83 3fa3 n LEU 14 Ca -0.09 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.46 3fa3 n LEU 14 Cb 0.26 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 3fa3 n LEU 14 CO 0.26 -0.46 -0.41 -0.62 -1.33 0.00 0.00 177.39 174.84 3fa3 n GLU 15 N -1.45 0.64 -2.66 3.23 1.02 -1.22 -4.60 120.64 115.59 3fa3 n GLU 15 Ca 0.00 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 3fa3 n GLU 15 Cb 0.02 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.74 3fa3 n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3fa3 s ASN 16 N -4.93 6.42 0.07 1.62 3.84 0.10 -4.91 114.94 117.15 3fa3 s ASN 16 Ca -0.05 -0.02 0.09 0.00 0.21 0.00 0.00 52.86 53.10 3fa3 s ASN 16 Cb 0.12 -2.52 0.44 0.00 -0.55 0.00 0.00 41.25 38.74 3fa3 s ASN 16 CO 0.85 -1.40 1.30 -2.65 -2.79 0.00 0.00 177.10 172.41 3fa3 n PRO 17 N 8.13 0.04 0.09 0.43 -0.02 -1.26 -1.45 135.00 140.95 3fa3 n PRO 17 Ca 0.07 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 3fa3 n PRO 17 Cb 0.49 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 3fa3 n PRO 17 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3fa3 h ASP 18 N 0.00 0.22 -4.02 2.55 3.32 -1.91 -3.47 116.42 113.11 3fa3 h ASP 18 Ca 0.00 -0.19 -0.54 0.00 0.02 0.00 0.00 57.03 56.32 3fa3 h ASP 18 Cb 0.11 -0.07 0.12 0.00 0.22 0.00 0.00 39.33 39.71 3fa3 h ASP 18 CO 0.00 1.03 0.63 -0.44 -1.72 0.00 0.00 179.24 178.73 3fa3 s SER 19 N -6.91 5.56 -0.08 6.45 0.01 -0.53 -5.01 113.70 113.19 3fa3 s SER 19 Ca -0.02 2.77 -0.00 0.00 1.31 0.00 0.00 55.95 60.01 3fa3 s SER 19 Cb 0.10 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.71 3fa3 s SER 19 CO 0.83 -1.38 -0.04 0.12 0.41 0.00 0.00 173.24 173.18 3fa3 s PHE 20 N -1.29 1.03 -0.32 2.43 5.36 -1.26 -4.90 117.98 119.03 3fa3 s PHE 20 Ca 0.67 -0.40 -0.18 0.00 -0.96 0.00 0.00 56.93 56.06 3fa3 s PHE 20 Cb -0.40 -0.95 -0.01 0.00 -0.34 0.00 0.00 43.02 41.32 3fa3 s PHE 20 CO 0.49 -0.36 0.53 0.42 -1.46 0.00 0.00 175.22 174.84 3fa3 s ILE 21 N 1.57 5.02 -0.23 3.12 -1.09 0.37 -5.01 121.20 124.94 3fa3 s ILE 21 Ca 0.00 0.58 -0.06 0.00 -2.23 0.00 0.00 60.65 58.95 3fa3 s ILE 21 Cb -0.13 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 3fa3 s ILE 21 CO -0.04 -0.11 0.03 -0.69 -1.23 0.00 0.00 174.94 172.89 3fa3 s VAL 22 N 2.41 4.01 -0.20 2.92 1.01 -1.26 -1.30 120.40 127.98 3fa3 s VAL 22 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 3fa3 s VAL 22 Cb -0.15 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.42 3fa3 s VAL 22 CO 0.12 0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.55 3fa3 s ALA 23 N 1.49 1.67 0.18 5.51 0.00 -0.61 -4.05 121.76 125.94 3fa3 s ALA 23 Ca 0.06 -1.08 -0.27 0.00 0.00 0.00 0.00 51.96 50.66 3fa3 s ALA 23 Cb -0.15 -1.29 -0.08 0.00 0.00 0.00 0.00 23.12 21.61 3fa3 s ALA 23 CO 0.01 -1.03 0.84 -1.25 0.00 0.00 0.00 175.76 174.34 3fa3 s PRO 24 N 1.54 4.68 -0.31 0.00 0.04 -1.25 -2.13 135.00 137.56 3fa3 s PRO 24 Ca -0.03 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.02 3fa3 s PRO 24 Cb -0.17 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 3fa3 s PRO 24 CO -0.07 0.51 1.87 0.20 0.04 0.00 0.00 177.00 179.55 3fa3 s GLY 25 N -1.02 0.75 0.08 0.56 0.00 0.82 -2.09 107.32 106.42 3fa3 s GLY 25 Ca 0.38 0.36 0.08 0.00 0.00 0.00 0.00 44.72 45.54 3fa3 s GLY 25 CO 0.28 3.36 -0.15 0.14 0.00 0.00 0.00 173.10 176.73 3fa3 s VAL 26 N 7.10 3.03 0.00 1.40 1.01 -0.63 -3.20 120.40 129.11 3fa3 s VAL 26 Ca 0.83 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3fa3 s VAL 26 Cb -0.24 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.77 3fa3 s VAL 26 CO 0.34 0.19 0.46 0.00 0.00 0.00 0.00 175.10 176.09 3fa3 n TYR 27 N 1.03 0.00 -3.96 5.22 4.11 -1.26 -1.94 117.16 120.35 3fa3 n TYR 27 Ca -0.15 -0.07 0.02 0.00 -0.00 0.00 0.00 57.90 57.70 3fa3 n TYR 27 Cb 0.52 -0.01 0.01 0.00 -0.00 0.00 0.00 39.34 39.87 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 -0.07 -0.91 0.03 9.48 5.75 -1.26 -4.42 116.55 125.16 3fa3 n ASP 28 Ca 0.00 -1.20 -0.19 0.00 -0.01 0.00 0.00 54.79 53.39 3fa3 n ASP 28 Cb 0.39 1.41 -0.09 0.00 -1.03 0.00 0.00 41.12 41.80 3fa3 n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fa3 h GLY 29 N 1.48 0.76 0.07 6.12 0.00 -1.97 -2.89 103.07 106.63 3fa3 h GLY 29 Ca -0.16 -1.28 0.03 0.00 0.00 0.00 0.00 47.33 45.92 3fa3 h GLY 29 CO 0.23 1.13 -0.47 1.41 0.00 0.00 0.00 176.54 178.84 3fa3 h LEU 30 N 0.41 -1.44 -1.92 3.11 3.38 -1.99 -2.36 115.31 114.50 3fa3 h LEU 30 Ca -0.11 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3fa3 h LEU 30 Cb 1.62 0.56 -0.00 0.00 0.09 0.00 0.00 40.66 42.93 3fa3 h LEU 30 CO 0.19 -0.48 -0.10 0.77 0.09 0.00 0.00 178.44 178.91 3fa3 h SER 31 N -0.61 0.00 0.22 -0.43 4.64 -1.93 -1.51 113.55 113.94 3fa3 h SER 31 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3fa3 h SER 31 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3fa3 h SER 31 CO -0.35 0.10 -0.11 0.00 -0.87 0.00 0.00 176.83 175.60 3fa3 h ALA 32 N 1.90 -0.30 -0.29 5.18 0.00 -1.29 -2.12 119.26 122.34 3fa3 h ALA 32 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3fa3 h ALA 32 Cb 0.35 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3fa3 h ALA 32 CO 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 179.25 178.81 3fa3 h ARG 33 N -0.67 0.13 0.28 0.00 2.47 -0.76 0.37 114.38 116.19 3fa3 h ARG 33 Ca -0.03 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3fa3 h ARG 33 Cb 0.47 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 3fa3 h ARG 33 CO 0.05 0.08 -0.33 0.28 0.56 0.00 0.00 179.97 180.62 3fa3 h VAL 34 N 0.13 0.00 -0.29 2.04 2.07 -1.61 0.32 116.25 118.91 3fa3 h VAL 34 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3fa3 h VAL 34 Cb 0.16 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.88 3fa3 h VAL 34 CO -0.20 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.05 3fa3 h ALA 35 N -1.16 -0.55 -1.00 1.67 0.00 -0.82 0.28 119.26 117.68 3fa3 h ALA 35 Ca -0.03 0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.18 3fa3 h ALA 35 Cb 0.55 1.00 -0.19 0.00 0.00 0.00 0.00 17.79 19.15 3fa3 h ALA 35 CO -0.06 -0.73 0.08 -0.07 0.00 0.00 0.00 179.25 178.47 3fa3 h LEU 36 N -0.21 -0.40 -0.44 0.00 -0.00 -0.23 -0.57 115.31 113.47 3fa3 h LEU 36 Ca 0.05 0.28 -0.06 0.00 -0.00 0.00 0.00 57.88 58.15 3fa3 h LEU 36 Cb 0.34 0.47 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 3fa3 h LEU 36 CO -0.39 -0.37 0.04 0.28 -0.00 0.00 0.00 178.44 178.00 3fa3 h SER 37 N 0.00 0.73 0.00 -0.43 0.02 0.21 -2.49 113.55 111.58 3fa3 h SER 37 Ca 0.64 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3fa3 h SER 37 Cb 1.37 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3fa3 h SER 37 CO -0.92 0.82 0.24 0.00 -1.14 0.00 0.00 176.83 175.83 3fa3 n ALA 38 N -2.40 0.60 -0.26 3.77 0.00 0.76 -4.79 120.51 118.19 3fa3 n ALA 38 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3fa3 n ALA 38 Cb 0.27 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.29 0.84 3.78 0.00 0.00 -0.94 -5.08 105.19 102.51 3fa3 n GLY 39 Ca -0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 3.13 -2.24 1.61 0.40 -1.23 -4.97 117.98 112.68 3fa3 s PHE 40 Ca 0.00 1.61 0.26 0.00 -0.60 0.00 0.00 56.93 58.20 3fa3 s PHE 40 Cb 0.00 -3.15 0.65 0.00 0.51 0.00 0.00 43.02 41.03 3fa3 s PHE 40 CO 0.00 -0.81 1.50 -0.25 0.70 0.00 0.00 175.22 176.36 3fa3 n ASP 41 N -0.39 1.65 -3.63 1.36 8.00 -1.26 -4.77 116.55 117.51 3fa3 n ASP 41 Ca 0.07 -1.36 -0.15 0.00 0.71 0.00 0.00 54.79 54.05 3fa3 n ASP 41 Cb 0.50 0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.25 -1.59 0.06 2.24 0.00 -1.26 -4.09 121.76 114.87 3fa3 s ALA 42 Ca 0.29 1.63 0.09 0.00 0.00 0.00 0.00 51.96 53.96 3fa3 s ALA 42 Cb 0.20 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 3fa3 s ALA 42 CO 0.43 -0.32 -0.26 -0.51 0.00 0.00 0.00 175.76 175.11 3fa3 s LEU 43 N -0.10 2.19 -0.10 0.00 1.43 -0.22 -3.85 118.68 118.03 3fa3 s LEU 43 Ca -0.03 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3fa3 s LEU 43 Cb -0.03 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 3fa3 s LEU 43 CO 0.03 0.24 -0.10 -0.47 0.23 0.00 0.00 176.35 176.28 3fa3 s TYR 44 N -0.84 2.85 -0.39 0.29 5.04 -0.89 -1.59 117.35 121.82 3fa3 s TYR 44 Ca 0.12 -0.29 -0.18 0.00 -2.44 0.00 0.00 57.07 54.27 3fa3 s TYR 44 Cb -0.10 -1.78 0.01 0.00 0.35 0.00 0.00 41.96 40.44 3fa3 s TYR 44 CO 0.03 0.06 0.52 1.41 -1.34 0.00 0.00 175.55 176.22 3fa3 s MET 45 N -0.21 3.39 -0.01 4.97 -2.45 0.89 -1.60 119.30 124.28 3fa3 s MET 45 Ca 0.02 -0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 53.76 3fa3 s MET 45 Cb -0.13 -3.89 -0.05 0.00 1.25 0.00 0.00 34.83 32.01 3fa3 s MET 45 CO 0.03 -0.79 1.37 -0.08 1.05 0.00 0.00 175.02 176.60 3fa3 s THR 46 N 2.41 3.80 0.19 10.11 -1.32 -0.82 -2.26 115.64 127.76 3fa3 s THR 46 Ca 0.18 1.17 -0.12 0.00 -1.21 0.00 0.00 61.69 61.71 3fa3 s THR 46 Cb -0.16 -3.75 0.11 0.00 -1.51 0.00 0.00 72.50 67.19 3fa3 s THR 46 CO 0.15 -0.01 1.82 1.23 -2.21 0.00 0.00 174.62 175.60 3fa3 h GLY 47 N 8.37 0.96 0.96 6.08 0.00 -1.91 -1.96 103.07 115.57 3fa3 h GLY 47 Ca -0.37 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.55 3fa3 h GLY 47 CO 0.90 0.40 0.04 0.00 0.00 0.00 0.00 176.54 177.88 3fa3 h ALA 48 N 1.19 0.10 -0.59 3.60 0.00 -1.97 -2.05 119.26 119.55 3fa3 h ALA 48 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fa3 h ALA 48 Cb -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3fa3 h ALA 48 CO -0.04 -0.42 0.35 0.78 0.00 0.00 0.00 179.25 179.93 3fa3 h GLY 49 N 0.09 0.86 0.89 0.00 0.00 -1.88 -2.48 103.07 100.55 3fa3 h GLY 49 Ca 0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3fa3 h GLY 49 CO -0.03 0.34 0.03 -0.84 0.00 0.00 0.00 176.54 176.04 3fa3 h THR 50 N 0.82 1.11 -1.01 4.70 2.02 -1.03 -1.42 112.91 118.09 3fa3 h THR 50 Ca 0.21 -0.31 0.25 0.00 0.77 0.00 0.00 66.41 67.33 3fa3 h THR 50 Cb -0.03 1.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.50 3fa3 h THR 50 CO -0.04 0.09 0.65 0.00 0.37 0.00 0.00 175.52 176.59 3fa3 h ALA 51 N 0.90 2.16 0.18 6.16 0.00 -0.94 -1.82 119.26 125.90 3fa3 h ALA 51 Ca 0.02 0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 51 Cb 0.12 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.95 3fa3 h ALA 51 CO -0.00 -0.54 -1.20 0.00 0.00 0.00 0.00 179.25 177.50 3fa3 h ALA 52 N 1.62 -0.09 0.01 0.00 0.00 -1.14 -2.26 119.26 117.41 3fa3 h ALA 52 Ca 0.57 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 3fa3 h ALA 52 Cb 1.38 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3fa3 h ALA 52 CO -0.29 0.59 -0.78 1.03 0.00 0.00 0.00 179.25 179.80 3fa3 h SER 53 N 0.04 0.05 -0.65 0.00 0.87 -1.00 -2.26 113.55 110.58 3fa3 h SER 53 Ca -0.20 -0.74 -0.05 0.00 -1.23 0.00 0.00 61.79 59.57 3fa3 h SER 53 Cb 1.92 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.84 3fa3 h SER 53 CO 0.23 1.31 0.22 0.58 -0.53 0.00 0.00 176.83 178.63 3fa3 h VAL 54 N -0.92 1.25 0.00 2.23 2.07 -1.53 -3.40 116.25 115.96 3fa3 h VAL 54 Ca -0.21 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3fa3 h VAL 54 Cb 1.24 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3fa3 h VAL 54 CO -0.10 0.32 -1.15 1.41 0.02 0.00 0.00 177.57 178.08 3fa3 n HIS 55 N -4.36 0.00 -1.66 1.57 8.25 -0.86 -5.02 115.22 113.14 3fa3 n HIS 55 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 3fa3 n HIS 55 Cb 0.21 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 1.82 0.65 3.29 -1.41 0.00 -0.85 -5.00 105.19 103.69 3fa3 n GLY 56 Ca -0.01 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 3fa3 n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fa3 s GLN 57 N -3.52 1.76 0.82 1.61 1.11 -1.15 -5.01 119.66 115.29 3fa3 s GLN 57 Ca 0.00 -2.02 -0.11 0.00 0.01 0.00 0.00 55.36 53.24 3fa3 s GLN 57 Cb 0.00 0.33 0.08 0.00 -1.01 0.00 0.00 33.01 32.41 3fa3 s GLN 57 CO 0.00 -0.65 1.10 0.00 0.01 0.00 0.00 175.29 175.74 3fa3 s ALA 58 N -3.43 2.08 -1.18 6.09 0.00 -1.26 -2.81 121.76 121.25 3fa3 s ALA 58 Ca 0.41 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.01 3fa3 s ALA 58 Cb 0.02 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 20.09 3fa3 s ALA 58 CO 0.28 -1.88 1.58 0.34 0.00 0.00 0.00 175.76 176.08 3fa3 s ASP 59 N -3.78 6.75 -0.06 0.00 3.68 -1.26 -4.69 116.67 117.31 3fa3 s ASP 59 Ca 0.61 -2.19 0.11 0.00 2.13 0.00 0.00 52.55 53.22 3fa3 s ASP 59 Cb -0.15 -2.54 0.21 0.00 -1.45 0.00 0.00 42.92 38.98 3fa3 s ASP 59 CO 0.55 -1.21 1.10 0.18 0.13 0.00 0.00 175.17 175.91 3fa3 n LEU 60 N 8.09 1.09 0.00 -1.34 4.77 -1.26 -1.69 117.00 126.67 3fa3 n LEU 60 Ca 0.41 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 3fa3 n LEU 60 Cb 0.47 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3fa3 n LEU 60 CO 0.70 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 3fa3 n GLY 61 N -0.36 1.57 0.56 -0.72 0.00 -1.14 -4.12 105.19 100.99 3fa3 n GLY 61 Ca 0.07 0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.48 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 0.32 -3.64 -0.61 1.08 -1.89 -3.43 117.51 109.35 3fa3 h ILE 62 Ca 0.00 -0.01 -0.51 0.00 -0.39 0.00 0.00 64.86 63.96 3fa3 h ILE 62 Cb 0.00 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.03 3fa3 h ILE 62 CO 0.00 0.00 0.18 0.00 -0.69 0.00 0.00 178.15 177.65 3fa3 s THR 64 N -1.45 3.66 0.29 0.00 -4.23 -1.26 -4.95 115.64 107.70 3fa3 s THR 64 Ca 0.43 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 3fa3 s THR 64 Cb -0.19 -3.26 0.41 0.00 1.34 0.00 0.00 72.50 70.81 3fa3 s THR 64 CO 0.23 -0.11 1.57 0.25 -0.54 0.00 0.00 174.62 176.03 3fa3 h LEU 65 N 0.86 -0.63 -0.14 4.79 5.85 -1.95 -0.13 115.31 123.95 3fa3 h LEU 65 Ca -0.44 0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3fa3 h LEU 65 Cb 1.26 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 3fa3 h LEU 65 CO 0.51 -0.33 0.03 0.78 -0.34 0.00 0.00 178.44 179.09 3fa3 h ASN 66 N 0.01 0.00 0.07 1.25 4.21 -1.99 0.13 115.58 119.27 3fa3 h ASN 66 Ca 0.53 0.02 0.02 0.00 1.21 0.00 0.00 56.30 58.08 3fa3 h ASN 66 Cb 0.98 0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 38.17 3fa3 h ASN 66 CO -0.93 0.02 -0.25 0.44 -1.29 0.00 0.00 177.43 175.42 3fa3 h ASP 67 N 0.08 -0.72 0.14 5.81 3.32 -1.49 -1.03 116.42 122.53 3fa3 h ASP 67 Ca 0.06 0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 3fa3 h ASP 67 Cb 0.06 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3fa3 h ASP 67 CO -0.09 -0.33 -0.65 0.24 -1.72 0.00 0.00 179.24 176.70 3fa3 h MET 68 N -0.43 0.48 0.09 3.56 2.86 -0.74 -2.17 114.93 118.59 3fa3 h MET 68 Ca 0.04 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3fa3 h MET 68 Cb 0.48 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3fa3 h MET 68 CO -0.17 0.97 -0.05 -0.09 1.06 0.00 0.00 176.91 178.63 3fa3 h ARG 69 N 0.35 -0.12 -0.82 1.72 1.12 -0.70 -1.12 114.38 114.81 3fa3 h ARG 69 Ca -0.01 0.01 0.11 0.00 -1.11 0.00 0.00 59.98 58.98 3fa3 h ARG 69 Cb 1.20 0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 31.11 3fa3 h ARG 69 CO 0.12 0.38 0.44 0.00 -3.11 0.00 0.00 179.97 177.80 3fa3 h ALA 70 N 0.04 1.19 0.17 2.80 0.00 -1.18 0.84 119.26 123.12 3fa3 h ALA 70 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fa3 h ALA 70 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3fa3 h ALA 70 CO 0.02 0.01 -0.24 -0.97 0.00 0.00 0.00 179.25 178.07 3fa3 h ASN 71 N 0.70 -0.67 -0.49 0.00 -0.00 -1.32 -2.13 115.58 111.67 3fa3 h ASN 71 Ca 0.42 0.07 0.03 0.00 -0.00 0.00 0.00 56.30 56.82 3fa3 h ASN 71 Cb 0.47 0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 39.01 3fa3 h ASN 71 CO -0.29 -0.34 0.32 0.00 -0.00 0.00 0.00 177.43 177.12 3fa3 h ALA 72 N 0.24 1.79 -0.25 1.57 0.00 0.06 -1.13 119.26 121.55 3fa3 h ALA 72 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3fa3 h ALA 72 Cb 0.47 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fa3 h ALA 72 CO -0.10 0.15 -0.54 1.49 0.00 0.00 0.00 179.25 180.25 3fa3 h GLU 73 N 0.53 0.73 0.07 0.00 4.81 -0.45 0.18 114.58 120.46 3fa3 h GLU 73 Ca 0.20 -0.46 -0.26 0.00 -0.13 0.00 0.00 59.36 58.70 3fa3 h GLU 73 Cb 0.13 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.57 3fa3 h GLU 73 CO -0.05 1.08 -1.13 0.00 -0.73 0.00 0.00 179.01 178.19 3fa3 h MET 74 N 0.56 0.46 -0.65 1.92 -0.00 -0.90 -2.42 114.93 113.90 3fa3 h MET 74 Ca 0.01 -0.59 0.02 0.00 -0.00 0.00 0.00 59.70 59.14 3fa3 h MET 74 Cb 1.12 0.19 -0.04 0.00 -0.00 0.00 0.00 31.60 32.88 3fa3 h MET 74 CO 0.11 1.23 0.42 0.82 -0.00 0.00 0.00 176.91 179.50 3fa3 h ILE 75 N 0.21 1.13 0.00 -0.10 2.04 -1.17 -2.28 117.51 117.34 3fa3 h ILE 75 Ca -0.13 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3fa3 h ILE 75 Cb 1.80 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3fa3 h ILE 75 CO 0.20 0.15 -0.01 0.28 0.00 0.00 0.00 178.15 178.78 3fa3 h SER 76 N 0.85 0.00 -0.11 1.72 0.02 -0.54 -3.08 113.55 112.41 3fa3 h SER 76 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3fa3 h SER 76 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3fa3 h SER 76 CO -0.07 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.22 3fa3 n ASN 77 N -3.10 2.98 -0.02 3.07 3.02 -0.88 -3.65 115.26 116.67 3fa3 n ASN 77 Ca 0.01 -1.96 -0.13 0.00 -0.03 0.00 0.00 54.58 52.47 3fa3 n ASN 77 Cb 0.32 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.34 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 4.47 1.38 -3.21 2.41 2.04 -1.40 -3.38 117.51 119.83 3fa3 h ILE 78 Ca 0.00 -1.17 -0.63 0.00 1.00 0.00 0.00 64.86 64.06 3fa3 h ILE 78 Cb 0.96 2.12 -0.41 0.00 -0.74 0.00 0.00 36.82 38.76 3fa3 h ILE 78 CO 0.00 0.31 -0.68 -0.55 0.00 0.00 0.00 178.15 177.23 3fa3 s SER 79 N -5.76 4.02 0.54 1.72 0.15 -1.26 -4.98 113.70 108.13 3fa3 s SER 79 Ca -0.16 -2.78 0.29 0.00 0.70 0.00 0.00 55.95 54.00 3fa3 s SER 79 Cb 0.02 -1.35 1.45 0.00 -1.71 0.00 0.00 66.02 64.43 3fa3 s SER 79 CO 0.69 -0.26 1.94 -0.65 1.20 0.00 0.00 173.24 176.16 3fa3 h PRO 80 N 6.68 0.00 -0.01 5.44 0.11 -1.75 0.86 132.00 143.34 3fa3 h PRO 80 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3fa3 h PRO 80 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3fa3 h PRO 80 CO 0.58 0.00 -0.11 -1.13 -0.21 0.00 0.00 178.00 177.14 3fa3 n SER 81 N -4.29 0.77 -4.53 -2.05 3.41 -1.26 -4.09 113.62 101.57 3fa3 n SER 81 Ca 0.14 -0.89 -0.43 0.00 -0.26 0.00 0.00 58.87 57.44 3fa3 n SER 81 Cb 0.79 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.33 4.86 0.07 6.66 2.01 0.30 -4.88 115.64 122.33 3fa3 s THR 82 Ca 0.32 0.23 -0.34 0.00 0.31 0.00 0.00 61.69 62.21 3fa3 s THR 82 Cb 0.20 -4.15 -0.13 0.00 0.01 0.00 0.00 72.50 68.43 3fa3 s THR 82 CO 0.44 -0.50 1.67 -2.65 -0.69 0.00 0.00 174.62 172.90 3fa3 n PRO 83 N 6.16 2.11 -3.73 4.92 -0.02 -1.26 -4.82 135.00 138.36 3fa3 n PRO 83 Ca -0.02 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 3fa3 n PRO 83 Cb 0.48 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 3fa3 n PRO 83 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fa3 s VAL 84 N 1.98 5.26 -0.41 -1.45 1.01 -1.26 -1.05 120.40 124.49 3fa3 s VAL 84 Ca 0.84 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.80 3fa3 s VAL 84 Cb -0.70 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.27 3fa3 s VAL 84 CO 0.43 0.38 0.39 -0.63 0.00 0.00 0.00 175.10 175.67 3fa3 s ILE 85 N 0.81 5.15 -0.01 2.22 1.01 -0.62 -0.28 121.20 129.48 3fa3 s ILE 85 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 3fa3 s ILE 85 Cb -0.13 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3fa3 s ILE 85 CO 0.02 -0.34 0.18 0.00 0.00 0.00 0.00 174.94 174.80 3fa3 s ALA 86 N 2.00 3.96 0.63 9.38 0.00 0.20 -0.07 121.76 137.84 3fa3 s ALA 86 Ca 0.10 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 3fa3 s ALA 86 Cb -0.17 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 3fa3 s ALA 86 CO 0.12 0.75 1.16 0.34 0.00 0.00 0.00 175.76 178.14 3fa3 s ASP 87 N -1.97 5.10 0.00 0.00 -1.08 -0.96 -2.65 116.67 115.11 3fa3 s ASP 87 Ca 0.28 2.23 0.04 0.00 -0.52 0.00 0.00 52.55 54.58 3fa3 s ASP 87 Cb -0.13 -2.58 0.06 0.00 -1.46 0.00 0.00 42.92 38.82 3fa3 s ASP 87 CO 0.19 -1.65 0.88 0.00 0.52 0.00 0.00 175.17 175.11 3fa3 n ALA 88 N -1.96 2.22 -0.41 3.66 0.00 -1.05 -4.78 120.51 118.19 3fa3 n ALA 88 Ca 0.12 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3fa3 n ALA 88 Cb 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.08 0.00 -0.33 0.00 8.00 -1.25 -0.70 116.55 122.35 3fa3 n ASP 89 Ca -0.02 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.52 3fa3 n ASP 89 Cb 0.71 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.86 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 0.34 -0.29 -3.53 -2.24 -1.26 -1.11 114.28 106.19 3fa3 n THR 90 Ca 0.00 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3fa3 n THR 90 Cb 0.00 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.32 0.97 1.77 3.38 0.00 0.13 -4.54 105.19 107.20 3fa3 n GLY 91 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 0.00 -1.46 1.61 4.02 -1.26 -3.27 117.16 114.80 3fa3 n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3fa3 n TYR 92 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 39.34 38.45 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 -1.04 0.32 0.00 2.72 0.00 -1.26 -4.85 105.19 101.08 3fa3 n GLY 93 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.39 0.30 -0.02 0.00 -1.26 -4.47 105.19 97.34 3fa3 n GLY 94 Ca 0.00 -1.42 0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 0.01 1.61 0.11 -1.97 0.26 132.00 132.02 3fa3 h PRO 95 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3fa3 h PRO 95 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3fa3 h PRO 95 CO 0.00 0.00 -0.05 0.82 -0.21 0.00 0.00 178.00 178.56 3fa3 h ILE 96 N 0.00 1.75 -0.37 4.15 2.04 -1.97 -0.47 117.51 122.65 3fa3 h ILE 96 Ca 0.00 -2.28 0.05 0.00 1.00 0.00 0.00 64.86 63.63 3fa3 h ILE 96 Cb 0.21 3.30 -0.05 0.00 -0.74 0.00 0.00 36.82 39.55 3fa3 h ILE 96 CO 0.00 0.60 0.10 0.24 0.00 0.00 0.00 178.15 179.08 3fa3 h MET 97 N -0.92 0.22 -0.81 2.37 2.86 -1.74 0.08 114.93 116.99 3fa3 h MET 97 Ca -0.01 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 3fa3 h MET 97 Cb 1.01 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.55 3fa3 h MET 97 CO 0.01 0.15 0.47 0.28 1.06 0.00 0.00 176.91 178.88 3fa3 h VAL 98 N 0.23 0.96 0.00 -2.22 2.07 -0.47 0.50 116.25 117.31 3fa3 h VAL 98 Ca 0.17 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 3fa3 h VAL 98 Cb 0.18 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3fa3 h VAL 98 CO -0.21 0.15 -0.30 0.00 0.02 0.00 0.00 177.57 177.23 3fa3 h ALA 99 N 1.42 1.07 0.15 1.67 0.00 -0.61 -2.04 119.26 120.93 3fa3 h ALA 99 Ca 0.38 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 3fa3 h ALA 99 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fa3 h ALA 99 CO -0.22 0.37 -1.66 -0.09 0.00 0.00 0.00 179.25 177.66 3fa3 h ARG 100 N 0.00 0.33 -1.00 0.00 2.43 0.15 -2.83 114.38 113.45 3fa3 h ARG 100 Ca -0.00 -0.56 0.19 0.00 -0.81 0.00 0.00 59.98 58.80 3fa3 h ARG 100 Cb 0.76 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 30.41 3fa3 h ARG 100 CO 0.04 1.22 0.60 1.15 -1.51 0.00 0.00 179.97 181.47 3fa3 h THR 101 N 0.09 0.69 -0.37 0.20 2.02 0.08 -2.19 112.91 113.43 3fa3 h THR 101 Ca -0.30 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 3fa3 h THR 101 Cb 2.06 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3fa3 h THR 101 CO 0.17 0.14 0.03 0.74 0.37 0.00 0.00 175.52 176.97 3fa3 h THR 102 N 0.75 1.25 -0.45 3.16 2.02 -1.15 -1.08 112.91 117.41 3fa3 h THR 102 Ca 0.58 -0.92 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 3fa3 h THR 102 Cb 0.91 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3fa3 h THR 102 CO -0.39 0.31 -0.19 -0.33 0.37 0.00 0.00 175.52 175.29 3fa3 h GLU 103 N 0.47 0.93 0.77 6.66 5.08 -1.38 -2.53 114.58 124.58 3fa3 h GLU 103 Ca 0.11 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3fa3 h GLU 103 Cb 0.41 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.64 3fa3 h GLU 103 CO 0.01 1.05 -0.37 1.96 -1.00 0.00 0.00 179.01 180.67 3fa3 h GLN 104 N 0.77 -1.00 -1.03 2.33 4.20 -1.07 -0.98 115.11 118.33 3fa3 h GLN 104 Ca 0.10 0.07 0.27 0.00 0.06 0.00 0.00 58.65 59.15 3fa3 h GLN 104 Cb 0.76 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.68 3fa3 h GLN 104 CO 0.06 -0.65 0.68 1.88 -0.67 0.00 0.00 178.83 180.13 3fa3 h TYR 105 N -1.12 0.56 0.27 2.96 -1.99 -1.27 0.17 116.97 116.56 3fa3 h TYR 105 Ca -0.11 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 3fa3 h TYR 105 Cb 0.81 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.38 3fa3 h TYR 105 CO -0.01 0.06 -0.13 0.77 -0.00 0.00 0.00 178.16 178.86 3fa3 h SER 106 N 0.35 -0.30 -1.00 3.88 0.02 -0.99 -0.36 113.55 115.14 3fa3 h SER 106 Ca 0.57 0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.78 3fa3 h SER 106 Cb 1.54 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 64.08 3fa3 h SER 106 CO -0.24 -0.14 0.66 0.03 -1.14 0.00 0.00 176.83 175.99 3fa3 h ARG 107 N -0.51 0.34 -0.24 3.45 3.08 -0.70 0.28 114.38 120.08 3fa3 h ARG 107 Ca -0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3fa3 h ARG 107 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3fa3 h ARG 107 CO 0.06 0.23 -0.07 0.77 -1.07 0.00 0.00 179.97 179.89 3fa3 h SER 108 N 0.35 0.35 0.00 7.04 0.02 -0.58 -3.47 113.55 117.27 3fa3 h SER 108 Ca 0.54 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 3fa3 h SER 108 Cb 1.45 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3fa3 h SER 108 CO -0.22 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 3fa3 n GLY 109 N -0.88 0.82 3.55 -3.77 0.00 0.99 -4.77 105.19 101.14 3fa3 n GLY 109 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3fa3 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fa3 n VAL 110 N -1.46 1.74 0.08 1.61 0.31 -0.52 -4.54 118.33 115.55 3fa3 n VAL 110 Ca 0.00 -0.43 -0.01 0.00 -0.01 0.00 0.00 64.34 63.88 3fa3 n VAL 110 Cb 0.00 -0.79 -0.05 0.00 -0.91 0.00 0.00 33.84 32.09 3fa3 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fa3 h ALA 111 N 2.14 0.61 -1.60 3.52 0.00 -0.96 -3.42 119.26 119.55 3fa3 h ALA 111 Ca -0.39 -0.76 0.07 0.00 0.00 0.00 0.00 54.91 53.83 3fa3 h ALA 111 Cb 1.36 0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.97 3fa3 h ALA 111 CO 0.62 0.94 0.50 0.00 0.00 0.00 0.00 179.25 181.31 3fa3 s ALA 112 N -2.86 -1.94 0.02 0.00 0.00 -0.87 -1.19 121.76 114.91 3fa3 s ALA 112 Ca 0.01 1.67 -0.06 0.00 0.00 0.00 0.00 51.96 53.57 3fa3 s ALA 112 Cb 0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3fa3 s ALA 112 CO 0.79 -0.29 0.10 -0.59 0.00 0.00 0.00 175.76 175.77 3fa3 s PHE 113 N -0.68 0.12 0.15 0.00 -0.12 -0.73 0.60 117.98 117.32 3fa3 s PHE 113 Ca -0.01 -0.30 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 3fa3 s PHE 113 Cb -0.02 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 3fa3 s PHE 113 CO -0.00 -0.29 0.29 -3.38 -0.05 0.00 0.00 175.22 171.78 3fa3 s HIS 114 N -1.73 3.48 -0.00 3.49 -3.43 -1.08 -0.84 115.29 115.17 3fa3 s HIS 114 Ca -0.12 0.12 -0.00 0.00 -0.80 0.00 0.00 55.06 54.26 3fa3 s HIS 114 Cb -0.06 -1.67 0.00 0.00 -1.43 0.00 0.00 32.58 29.42 3fa3 s HIS 114 CO -0.00 0.51 0.00 0.42 -2.00 0.00 0.00 174.74 173.67 3fa3 s ILE 115 N -1.75 -0.00 0.48 -5.38 1.01 -0.49 -2.51 121.20 112.55 3fa3 s ILE 115 Ca 0.35 0.00 0.02 0.00 0.00 0.00 0.00 60.65 61.02 3fa3 s ILE 115 Cb -0.11 -0.01 -0.02 0.00 0.01 0.00 0.00 42.46 42.33 3fa3 s ILE 115 CO 0.29 0.00 0.04 -1.83 0.00 0.00 0.00 174.94 173.44 3fa3 s GLU 116 N 0.02 2.10 -0.40 2.79 -1.05 -0.27 -0.99 118.70 120.90 3fa3 s GLU 116 Ca -0.00 -2.32 0.05 0.00 -0.15 0.00 0.00 54.97 52.55 3fa3 s GLU 116 Cb -0.00 -1.27 0.53 0.00 -0.44 0.00 0.00 34.13 32.95 3fa3 s GLU 116 CO -0.00 -0.38 1.65 -0.40 0.95 0.00 0.00 175.26 177.09 3fa3 n ASP 117 N -1.26 4.03 -4.94 0.83 5.75 -1.23 -4.70 116.55 115.03 3fa3 n ASP 117 Ca -0.15 -3.74 -0.25 0.00 -0.01 0.00 0.00 54.79 50.64 3fa3 n ASP 117 Cb 0.66 -0.72 0.01 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 -3.41 3.11 0.62 0.11 -0.21 -1.26 -0.66 119.66 117.95 3fa3 s GLN 118 Ca 0.52 -0.25 -0.19 0.00 0.02 0.00 0.00 55.36 55.46 3fa3 s GLN 118 Cb 0.45 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 3fa3 s GLN 118 CO 0.03 -0.36 1.28 1.33 -2.12 0.00 0.00 175.29 175.45 3fa3 n VAL 119 N -2.23 4.53 -0.29 1.09 0.24 -0.70 -4.38 118.33 116.59 3fa3 n VAL 119 Ca 0.02 -0.50 0.34 0.00 -2.04 0.00 0.00 64.34 62.16 3fa3 n VAL 119 Cb 0.57 -1.51 0.74 0.00 -1.47 0.00 0.00 33.84 32.18 3fa3 n VAL 119 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3fa3 h GLN 120 N 0.78 0.00 -3.95 7.34 4.15 -1.96 -2.64 115.11 118.82 3fa3 h GLN 120 Ca -0.51 0.00 -0.73 0.00 0.77 0.00 0.00 58.65 58.19 3fa3 h GLN 120 Cb 1.33 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.93 3fa3 h GLN 120 CO 0.54 0.00 2.55 0.25 -1.93 0.00 0.00 178.83 180.24 3fa3 n THR 121 N -4.15 3.88 -2.32 2.39 -2.24 -1.26 -4.76 114.28 105.82 3fa3 n THR 121 Ca 0.24 -3.71 -0.22 0.00 -2.27 0.00 0.00 64.05 58.09 3fa3 n THR 121 Cb 1.20 -2.49 0.13 0.00 -2.10 0.00 0.00 70.33 67.07 3fa3 n THR 121 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3fa3 n LYS 122 N 5.32 -0.36 -3.91 -0.78 -0.00 -1.00 -4.84 118.16 112.58 3fa3 n LYS 122 Ca 0.46 -2.17 -0.09 0.00 -0.00 0.00 0.00 58.31 56.52 3fa3 n LYS 122 Cb 0.38 -0.77 -0.08 0.00 -0.00 0.00 0.00 35.03 34.57 3fa3 n LYS 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3fa3 s ARG 123 N -4.98 0.74 0.09 -1.58 1.70 -1.26 -2.86 118.95 110.79 3fa3 s ARG 123 Ca 0.60 -0.94 -0.36 0.00 -0.47 0.00 0.00 55.73 54.55 3fa3 s ARG 123 Cb -0.03 0.29 -0.18 0.00 -0.57 0.00 0.00 34.95 34.47 3fa3 s ARG 123 CO 0.40 -0.21 1.17 0.00 -1.08 0.00 0.00 175.30 175.59 3fa3 h GLY 125 N 3.61 0.00 -3.51 0.00 0.00 -1.99 -2.63 103.07 98.55 3fa3 h GLY 125 Ca -0.47 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.46 3fa3 h GLY 125 CO 0.71 0.00 0.51 1.42 0.00 0.00 0.00 176.54 179.18 3fa3 n HIS 126 N -3.38 2.24 -4.36 5.60 8.25 -1.26 -4.85 115.22 117.46 3fa3 n HIS 126 Ca 0.07 -1.73 -0.25 0.00 -0.26 0.00 0.00 57.72 55.56 3fa3 n HIS 126 Cb 0.73 -0.87 -0.09 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.47 2.83 0.31 2.41 1.43 -1.00 -4.93 118.68 117.26 3fa3 s LEU 127 Ca 0.42 -0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 3fa3 s LEU 127 Cb 0.35 -1.43 -0.10 0.00 0.03 0.00 0.00 46.19 45.04 3fa3 s LEU 127 CO 0.06 0.06 1.28 0.00 0.23 0.00 0.00 176.35 177.98 3fa3 s ALA 128 N -2.07 3.49 0.00 4.21 0.00 -1.26 -4.48 121.76 121.65 3fa3 s ALA 128 Ca 0.27 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3fa3 s ALA 128 Cb -0.07 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3fa3 s ALA 128 CO 0.15 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3fa3 n GLY 129 N 1.08 0.89 3.76 0.00 0.00 -1.26 -5.02 105.19 104.65 3fa3 n GLY 129 Ca 0.01 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3fa3 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fa3 s LYS 130 N -3.34 4.20 -0.14 1.61 1.02 -1.26 -5.01 119.74 116.82 3fa3 s LYS 130 Ca 0.00 2.44 -0.05 0.00 0.02 0.00 0.00 55.97 58.38 3fa3 s LYS 130 Cb 0.00 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 3fa3 s LYS 130 CO 0.00 -0.45 0.05 0.42 -0.92 0.00 0.00 175.35 174.45 3fa3 s ILE 131 N -0.68 4.74 0.18 2.17 -1.09 -1.26 -5.02 121.20 120.24 3fa3 s ILE 131 Ca 0.55 -0.07 0.07 0.00 -2.23 0.00 0.00 60.65 58.98 3fa3 s ILE 131 Cb -0.44 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 3fa3 s ILE 131 CO 0.54 0.54 0.02 -0.76 -1.23 0.00 0.00 174.94 174.05 3fa3 s LEU 132 N -0.31 3.39 0.54 2.97 1.43 -1.26 -1.72 118.68 123.72 3fa3 s LEU 132 Ca 0.08 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3fa3 s LEU 132 Cb -0.12 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3fa3 s LEU 132 CO 0.02 0.07 0.87 0.54 0.23 0.00 0.00 176.35 178.08 3fa3 s VAL 133 N -1.80 4.50 0.79 -1.59 0.11 0.16 -4.59 120.40 117.98 3fa3 s VAL 133 Ca 0.28 0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 59.49 3fa3 s VAL 133 Cb -0.09 -3.75 0.06 0.00 -1.53 0.00 0.00 36.38 31.08 3fa3 s VAL 133 CO 0.20 -0.79 1.09 1.51 -3.33 0.00 0.00 175.10 173.78 3fa3 s ASP 134 N -4.18 4.59 0.20 3.54 -4.77 -1.26 -4.92 116.67 109.87 3fa3 s ASP 134 Ca 0.51 1.32 -0.11 0.00 -3.30 0.00 0.00 52.55 50.96 3fa3 s ASP 134 Cb -0.10 -2.06 0.22 0.00 -1.09 0.00 0.00 42.92 39.88 3fa3 s ASP 134 CO 0.47 -1.91 1.77 0.74 0.70 0.00 0.00 175.17 176.93 3fa3 h THR 135 N -1.05 0.86 0.50 2.11 2.02 -1.98 -2.20 112.91 113.17 3fa3 h THR 135 Ca -0.47 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3fa3 h THR 135 Cb 1.26 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3fa3 h THR 135 CO 0.59 0.08 -0.43 0.44 0.37 0.00 0.00 175.52 176.58 3fa3 h ASP 136 N 0.46 -1.14 -0.85 4.18 3.32 -1.99 0.99 116.42 121.39 3fa3 h ASP 136 Ca 0.27 0.09 0.21 0.00 0.02 0.00 0.00 57.03 57.62 3fa3 h ASP 136 Cb 0.26 0.37 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 3fa3 h ASP 136 CO -0.24 -0.60 0.58 0.74 -1.72 0.00 0.00 179.24 178.00 3fa3 h THR 137 N -0.92 0.65 0.03 0.35 2.02 -1.94 0.27 112.91 113.38 3fa3 h THR 137 Ca -0.05 -0.08 -0.28 0.00 0.77 0.00 0.00 66.41 66.77 3fa3 h THR 137 Cb 0.79 0.40 0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3fa3 h THR 137 CO -0.02 0.04 -1.10 0.22 0.37 0.00 0.00 175.52 175.03 3fa3 h TYR 138 N 0.23 1.03 -0.04 3.16 3.20 -0.25 -2.05 116.97 122.26 3fa3 h TYR 138 Ca 0.43 -0.59 -0.16 0.00 3.14 0.00 0.00 58.73 61.55 3fa3 h TYR 138 Cb 1.31 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3fa3 h TYR 138 CO -0.00 1.43 -0.68 0.28 -1.64 0.00 0.00 178.16 177.54 3fa3 h VAL 139 N 0.36 1.43 -0.53 1.81 2.07 0.36 -0.42 116.25 121.33 3fa3 h VAL 139 Ca -0.15 -2.20 0.06 0.00 0.82 0.00 0.00 66.70 65.24 3fa3 h VAL 139 Cb 1.76 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 33.64 3fa3 h VAL 139 CO 0.21 0.64 0.23 0.74 0.02 0.00 0.00 177.57 179.42 3fa3 h THR 140 N 0.12 0.89 -0.57 2.57 2.02 -1.00 0.12 112.91 117.05 3fa3 h THR 140 Ca -0.02 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3fa3 h THR 140 Cb 1.22 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3fa3 h THR 140 CO 0.10 0.08 0.36 0.03 0.37 0.00 0.00 175.52 176.46 3fa3 h ARG 141 N 0.45 0.77 -0.82 6.66 3.08 -0.35 -0.85 114.38 123.32 3fa3 h ARG 141 Ca 0.25 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.29 3fa3 h ARG 141 Cb 0.22 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3fa3 h ARG 141 CO -0.21 0.54 0.53 0.82 -1.07 0.00 0.00 179.97 180.58 3fa3 h ILE 142 N 0.77 1.07 0.15 2.04 1.08 -0.52 -3.00 117.51 119.11 3fa3 h ILE 142 Ca 0.21 -0.32 -0.21 0.00 -0.39 0.00 0.00 64.86 64.14 3fa3 h ILE 142 Cb -0.05 0.06 0.02 0.00 -3.07 0.00 0.00 36.82 33.78 3fa3 h ILE 142 CO -0.04 0.17 -0.97 -0.09 -0.69 0.00 0.00 178.15 176.53 3fa3 h ARG 143 N 0.93 0.32 -0.92 2.37 2.43 0.10 -2.55 114.38 117.06 3fa3 h ARG 143 Ca 0.34 -0.54 0.24 0.00 -0.81 0.00 0.00 59.98 59.21 3fa3 h ARG 143 Cb 0.17 0.20 -0.17 0.00 -0.42 0.00 0.00 29.97 29.75 3fa3 h ARG 143 CO -0.12 1.26 0.05 0.00 -1.51 0.00 0.00 179.97 179.66 3fa3 h ALA 144 N 0.07 1.10 -0.06 2.80 0.00 -1.13 0.10 119.26 122.15 3fa3 h ALA 144 Ca -0.18 0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3fa3 h ALA 144 Cb 1.71 0.52 0.00 0.00 0.00 0.00 0.00 17.79 20.02 3fa3 h ALA 144 CO 0.15 -0.52 -0.23 0.00 0.00 0.00 0.00 179.25 178.65 3fa3 h ALA 145 N 1.89 0.10 0.16 0.00 0.00 -1.38 0.13 119.26 120.17 3fa3 h ALA 145 Ca 0.55 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3fa3 h ALA 145 Cb 1.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3fa3 h ALA 145 CO -0.83 0.09 -0.25 0.28 0.00 0.00 0.00 179.25 178.54 3fa3 h VAL 146 N -0.27 0.46 -0.77 0.00 2.07 -1.16 0.73 116.25 117.31 3fa3 h VAL 146 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3fa3 h VAL 146 Cb 0.87 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3fa3 h VAL 146 CO 0.05 0.00 0.51 1.56 0.02 0.00 0.00 177.57 179.70 3fa3 h GLN 147 N -0.48 0.87 -0.13 1.57 4.20 -0.74 -1.15 115.11 119.24 3fa3 h GLN 147 Ca 0.02 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 3fa3 h GLN 147 Cb 0.48 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3fa3 h GLN 147 CO -0.11 0.57 -0.19 0.00 -0.67 0.00 0.00 178.83 178.43 3fa3 h ALA 148 N 1.56 0.20 -0.05 3.87 0.00 -0.34 -2.05 119.26 122.45 3fa3 h ALA 148 Ca 0.32 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fa3 h ALA 148 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3fa3 h ALA 148 CO -0.10 0.13 -0.13 -0.09 0.00 0.00 0.00 179.25 179.06 3fa3 h ARG 149 N -0.03 -0.18 0.00 0.00 2.43 -0.32 -2.73 114.38 113.55 3fa3 h ARG 149 Ca 0.01 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3fa3 h ARG 149 Cb 0.75 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3fa3 h ARG 149 CO 0.04 -0.12 -0.24 -0.56 -1.51 0.00 0.00 179.97 177.58 3fa3 h GLN 150 N -0.19 0.00 0.00 0.20 3.07 -1.28 -0.25 115.11 116.66 3fa3 h GLN 150 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.79 3fa3 h GLN 150 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.83 3fa3 h GLN 150 CO -0.16 0.24 -0.08 -0.09 0.09 0.00 0.00 178.83 178.83 3fa3 h ARG 151 N 0.00 0.00 -0.05 0.06 2.43 -1.08 -3.02 114.38 112.73 3fa3 h ARG 151 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3fa3 h ARG 151 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3fa3 h ARG 151 CO 0.03 0.08 0.00 0.44 -1.51 0.00 0.00 179.97 179.01 3fa3 n ILE 152 N -3.48 0.31 -1.33 1.20 -5.35 -0.62 -4.97 119.36 105.11 3fa3 n ILE 152 Ca -0.02 -0.66 -0.01 0.00 -0.27 0.00 0.00 62.75 61.80 3fa3 n ILE 152 Cb 0.21 0.91 -0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.13 0.41 3.77 3.28 0.00 -0.29 -5.01 105.19 107.48 3fa3 n GLY 153 Ca 0.03 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.98 7.36 0.00 1.61 0.15 -0.26 -4.96 113.70 114.62 3fa3 s SER 154 Ca 0.00 1.61 0.30 0.00 0.70 0.00 0.00 55.95 58.56 3fa3 s SER 154 Cb 0.00 -2.50 1.55 0.00 -1.71 0.00 0.00 66.02 63.36 3fa3 s SER 154 CO 0.00 0.16 2.06 0.47 1.20 0.00 0.00 173.24 177.13 3fa3 n ASP 155 N 1.89 0.05 -4.58 5.45 8.00 -1.26 -4.49 116.55 121.62 3fa3 n ASP 155 Ca -0.05 -0.31 -0.62 0.00 0.71 0.00 0.00 54.79 54.52 3fa3 n ASP 155 Cb 0.49 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 41.28 3fa3 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fa3 n ILE 156 N -1.21 0.00 -2.76 0.53 3.06 -1.26 -4.78 119.36 112.93 3fa3 n ILE 156 Ca 0.16 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.99 3fa3 n ILE 156 Cb 0.23 -0.19 -0.03 0.00 0.54 0.00 0.00 39.64 40.18 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 1.17 4.81 -0.28 9.51 1.01 -0.34 -4.94 120.40 131.33 3fa3 s VAL 157 Ca 0.96 1.88 -0.09 0.00 0.00 0.00 0.00 61.98 64.73 3fa3 s VAL 157 Cb -1.35 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 30.75 3fa3 s VAL 157 CO 0.66 -0.01 0.14 -0.69 0.00 0.00 0.00 175.10 175.20 3fa3 s VAL 158 N 2.23 4.73 -0.13 2.92 1.01 -1.26 -1.77 120.40 128.14 3fa3 s VAL 158 Ca 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 3fa3 s VAL 158 Cb -0.17 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3fa3 s VAL 158 CO 0.14 0.22 -0.05 -0.63 0.00 0.00 0.00 175.10 174.78 3fa3 s ILE 159 N 1.66 3.84 -0.10 2.22 1.01 -0.02 -0.92 121.20 128.89 3fa3 s ILE 159 Ca 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 3fa3 s ILE 159 Cb -0.16 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 3fa3 s ILE 159 CO 0.07 0.53 -0.05 0.00 0.00 0.00 0.00 174.94 175.48 3fa3 s ALA 160 N -0.03 3.00 0.06 9.38 0.00 -0.83 -1.39 121.76 131.95 3fa3 s ALA 160 Ca 0.01 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.19 3fa3 s ALA 160 Cb -0.13 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 3fa3 s ALA 160 CO 0.03 0.43 -0.20 0.50 0.00 0.00 0.00 175.76 176.52 3fa3 s ARG 161 N -0.34 1.25 -0.04 0.00 3.52 -0.16 -0.16 118.95 123.02 3fa3 s ARG 161 Ca 0.05 -1.00 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 3fa3 s ARG 161 Cb -0.12 -1.40 0.03 0.00 -1.56 0.00 0.00 34.95 31.89 3fa3 s ARG 161 CO 0.02 0.35 -0.00 -0.08 -0.81 0.00 0.00 175.30 174.78 3fa3 s THR 162 N -0.94 0.21 -2.45 4.11 -1.32 -0.53 -3.58 115.64 111.14 3fa3 s THR 162 Ca 0.06 0.09 0.26 0.00 -1.21 0.00 0.00 61.69 60.89 3fa3 s THR 162 Cb -0.09 -0.32 0.35 0.00 -1.51 0.00 0.00 72.50 70.93 3fa3 s THR 162 CO 0.03 0.16 1.52 0.47 -2.21 0.00 0.00 174.62 174.59 3fa3 n ASP 163 N 4.29 1.86 0.00 8.08 8.00 -1.26 -2.14 116.55 135.38 3fa3 n ASP 163 Ca -0.23 -1.52 0.07 0.00 0.71 0.00 0.00 54.79 53.81 3fa3 n ASP 163 Cb 0.50 0.07 0.38 0.00 -0.02 0.00 0.00 41.12 42.06 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 0.31 0.00 0.08 -2.24 3.41 -1.26 -3.31 113.62 110.62 3fa3 n SER 164 Ca 0.15 -0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.32 3fa3 n SER 164 Cb 0.43 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.00 -0.14 -0.52 1.04 5.85 -1.80 0.34 115.31 120.08 3fa3 h LEU 165 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3fa3 h LEU 165 Cb 0.02 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3fa3 h LEU 165 CO 0.00 0.08 0.06 0.00 -0.34 0.00 0.00 178.44 178.24 3fa3 n GLN 166 N -5.07 0.05 0.00 1.25 10.64 -1.21 -3.18 117.38 119.86 3fa3 n GLN 166 Ca -0.09 0.52 0.00 0.00 -1.83 0.00 0.00 57.00 55.60 3fa3 n GLN 166 Cb 0.17 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 27.82 3fa3 n GLN 166 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 3fa3 n THR 167 N -1.75 0.00 -0.10 -0.39 -1.04 0.22 -4.84 114.28 106.39 3fa3 n THR 167 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 3fa3 n THR 167 Cb 0.07 -0.42 -0.11 0.00 -1.82 0.00 0.00 70.33 68.05 3fa3 n THR 167 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3fa3 n HIS 168 N -2.27 0.00 0.00 -1.42 8.25 0.94 -5.13 115.22 115.60 3fa3 n HIS 168 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3fa3 n HIS 168 Cb 0.40 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 2.28 1.36 0.35 -1.41 0.00 -1.14 -4.81 105.19 101.81 3fa3 n GLY 169 Ca -0.33 -2.19 -0.06 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.98 -0.08 1.61 3.20 -1.90 -1.03 116.97 117.79 3fa3 h TYR 170 Ca 0.00 0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3fa3 h TYR 170 Cb 0.00 0.52 0.01 0.00 1.54 0.00 0.00 36.73 38.79 3fa3 h TYR 170 CO 0.00 -0.39 -0.40 0.93 -1.64 0.00 0.00 178.16 176.66 3fa3 h GLU 171 N -0.17 0.41 -0.41 1.82 4.39 -1.99 -2.04 114.58 116.60 3fa3 h GLU 171 Ca 0.22 -0.34 0.06 0.00 0.34 0.00 0.00 59.36 59.65 3fa3 h GLU 171 Cb 0.55 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 3fa3 h GLU 171 CO -0.68 0.97 0.09 1.49 -1.16 0.00 0.00 179.01 179.72 3fa3 h GLU 172 N -0.05 0.22 -0.89 2.33 4.57 -1.84 0.60 114.58 119.52 3fa3 h GLU 172 Ca -0.03 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.31 3fa3 h GLU 172 Cb 1.05 -0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 29.42 3fa3 h GLU 172 CO 0.08 0.14 -0.26 0.77 -1.18 0.00 0.00 179.01 178.57 3fa3 h SER 173 N 0.23 -0.95 -0.20 1.04 0.02 -1.00 -2.11 113.55 110.57 3fa3 h SER 173 Ca 0.20 0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 61.32 3fa3 h SER 173 Cb 0.23 0.59 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 3fa3 h SER 173 CO -0.25 -0.30 -0.26 0.58 -1.14 0.00 0.00 176.83 175.46 3fa3 h VAL 174 N -0.01 1.33 -0.72 2.27 2.07 -0.31 -1.89 116.25 118.99 3fa3 h VAL 174 Ca 0.40 -1.46 0.14 0.00 0.82 0.00 0.00 66.70 66.61 3fa3 h VAL 174 Cb 0.64 1.80 -0.10 0.00 -1.52 0.00 0.00 31.29 32.11 3fa3 h VAL 174 CO -0.92 0.45 0.22 0.00 0.02 0.00 0.00 177.57 177.34 3fa3 h ALA 175 N 0.63 0.95 -0.12 1.67 0.00 -0.68 0.29 119.26 122.01 3fa3 h ALA 175 Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3fa3 h ALA 175 Cb 0.83 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3fa3 h ALA 175 CO 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 3fa3 h ARG 176 N 0.35 -0.04 -0.98 0.00 3.08 -1.34 0.26 114.38 115.71 3fa3 h ARG 176 Ca 0.39 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.51 3fa3 h ARG 176 Cb 0.62 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.62 3fa3 h ARG 176 CO -0.44 -0.02 0.64 -0.07 -1.07 0.00 0.00 179.97 179.00 3fa3 h LEU 177 N -0.04 1.02 -0.65 3.04 3.38 -0.36 -2.61 115.31 119.09 3fa3 h LEU 177 Ca 0.07 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3fa3 h LEU 177 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3fa3 h LEU 177 CO -0.15 0.66 -0.53 0.03 0.09 0.00 0.00 178.44 178.54 3fa3 h ARG 178 N 1.15 0.39 -0.86 1.13 3.08 -0.26 -0.53 114.38 118.48 3fa3 h ARG 178 Ca 0.42 -0.24 0.20 0.00 0.07 0.00 0.00 59.98 60.43 3fa3 h ARG 178 Cb 0.15 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 3fa3 h ARG 178 CO -0.16 0.83 0.58 0.00 -1.07 0.00 0.00 179.97 180.15 3fa3 h ALA 179 N 1.13 2.32 0.09 0.04 0.00 -0.67 -1.57 119.26 120.59 3fa3 h ALA 179 Ca 0.01 0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.56 3fa3 h ALA 179 Cb 1.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3fa3 h ALA 179 CO 0.09 -0.58 -2.05 0.00 0.00 0.00 0.00 179.25 176.71 3fa3 n ALA 180 N -2.56 0.99 -0.30 0.00 0.00 -0.70 -2.49 120.51 115.45 3fa3 n ALA 180 Ca 0.18 -0.69 0.11 0.00 0.00 0.00 0.00 53.44 53.04 3fa3 n ALA 180 Cb 0.71 -0.55 0.28 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.04 0.41 -0.33 0.00 2.43 -0.94 -1.32 114.38 114.59 3fa3 h ARG 181 Ca -0.46 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 3fa3 h ARG 181 Cb 1.95 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 3fa3 h ARG 181 CO 0.02 0.27 0.13 -0.44 -1.51 0.00 0.00 179.97 178.45 3fa3 h ASP 182 N 0.42 0.46 0.14 -3.80 3.32 -1.26 0.11 116.42 115.82 3fa3 h ASP 182 Ca 0.52 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3fa3 h ASP 182 Cb 0.94 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3fa3 h ASP 182 CO -0.50 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3fa3 n ALA 183 N -2.28 1.34 0.00 3.45 0.00 -0.92 -4.82 120.51 117.28 3fa3 n ALA 183 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3fa3 n ALA 183 Cb 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.89 1.05 3.50 0.00 0.00 0.38 -4.63 105.19 104.60 3fa3 n GLY 184 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3fa3 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 185 N -0.88 -1.84 -0.09 4.61 0.00 -0.58 -4.97 120.51 116.75 3fa3 n ALA 185 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 3fa3 n ALA 185 Cb 0.00 -1.93 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 3fa3 n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fa3 n ASP 186 N -1.90 1.04 -4.04 0.00 8.00 -0.09 -4.69 116.55 114.87 3fa3 n ASP 186 Ca 0.09 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.43 3fa3 n ASP 186 Cb 0.52 0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 42.11 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 -2.43 0.49 -0.04 2.53 1.01 -1.20 -4.32 120.40 116.43 3fa3 s VAL 187 Ca -0.14 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3fa3 s VAL 187 Cb 0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 3fa3 s VAL 187 CO 0.67 -0.32 -0.11 -0.83 0.00 0.00 0.00 175.10 174.52 3fa3 s GLY 188 N -1.36 1.63 -0.35 4.51 0.00 0.11 -1.97 107.32 109.89 3fa3 s GLY 188 Ca -0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.65 3fa3 s GLY 188 CO 0.00 -0.79 0.21 -0.12 0.00 0.00 0.00 173.10 172.40 3fa3 s PHE 189 N -0.83 0.70 -0.52 1.90 5.99 0.77 0.24 117.98 126.23 3fa3 s PHE 189 Ca 0.13 -1.58 -0.28 0.00 0.00 0.00 0.00 56.93 55.20 3fa3 s PHE 189 Cb -0.11 -0.92 0.03 0.00 0.00 0.00 0.00 43.02 42.02 3fa3 s PHE 189 CO 0.03 -0.83 1.13 -1.17 -0.00 0.00 0.00 175.22 174.37 3fa3 s LEU 190 N 1.13 3.63 0.03 6.12 0.20 -1.26 -1.46 118.68 127.07 3fa3 s LEU 190 Ca 0.17 0.23 -0.30 0.00 0.69 0.00 0.00 54.13 54.92 3fa3 s LEU 190 Cb -0.23 -3.31 -0.05 0.00 -0.43 0.00 0.00 46.19 42.17 3fa3 s LEU 190 CO -0.01 -1.32 1.22 -0.70 -0.29 0.00 0.00 176.35 175.24 3fa3 s GLU 191 N 4.55 4.40 0.00 1.98 2.56 -0.91 -4.13 118.70 127.15 3fa3 s GLU 191 Ca 0.44 1.77 0.00 0.00 0.00 0.00 0.00 54.97 57.18 3fa3 s GLU 191 Cb -0.08 -3.41 0.00 0.00 2.00 0.00 0.00 34.13 32.64 3fa3 s GLU 191 CO 0.28 -0.33 0.00 0.41 -0.56 0.00 0.00 175.26 175.06 3fa3 n GLY 192 N 3.29 0.96 3.61 -1.50 0.00 -1.26 -4.53 105.19 105.75 3fa3 n GLY 192 Ca 0.10 -0.49 -0.52 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.09 0.04 -0.04 -0.61 2.08 -1.26 -4.69 119.36 112.78 3fa3 n ILE 193 Ca 0.00 -0.01 0.01 0.00 0.56 0.00 0.00 62.75 63.31 3fa3 n ILE 193 Cb 0.33 -0.90 -0.14 0.00 -0.75 0.00 0.00 39.64 38.19 3fa3 n ILE 193 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3fa3 n THR 194 N 2.79 0.54 -4.48 1.39 -2.24 -1.25 -3.03 114.28 108.00 3fa3 n THR 194 Ca 0.19 -0.55 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 3fa3 n THR 194 Cb 0.19 -0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.08 3fa3 n THR 194 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fa3 s SER 195 N -4.52 3.60 0.53 3.42 0.01 -1.26 -4.41 113.70 111.06 3fa3 s SER 195 Ca -0.07 -0.60 0.34 0.00 1.31 0.00 0.00 55.95 56.92 3fa3 s SER 195 Cb 0.08 -0.42 1.42 0.00 0.21 0.00 0.00 66.02 67.31 3fa3 s SER 195 CO 0.71 0.20 1.99 -0.09 0.41 0.00 0.00 173.24 176.47 3fa3 h ARG 196 N 4.07 0.00 0.00 12.44 2.43 -1.95 -2.63 114.38 128.74 3fa3 h ARG 196 Ca -0.49 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.50 3fa3 h ARG 196 Cb 1.16 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3fa3 h ARG 196 CO 0.44 0.00 -0.84 1.05 -1.51 0.00 0.00 179.97 179.11 3fa3 h GLU 197 N 0.00 0.00 0.00 0.20 -0.00 -2.00 -3.12 114.58 109.66 3fa3 h GLU 197 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.29 3fa3 h GLU 197 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.19 3fa3 h GLU 197 CO 0.00 0.84 -0.35 1.98 -0.00 0.00 0.00 179.01 181.48 3fa3 h MET 198 N 0.00 0.00 0.04 1.06 4.05 -1.90 -1.16 114.93 117.01 3fa3 h MET 198 Ca -0.01 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3fa3 h MET 198 Cb 1.51 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.31 3fa3 h MET 198 CO 0.11 0.35 -0.02 0.00 0.23 0.00 0.00 176.91 177.58 3fa3 h ALA 199 N 1.65 -0.05 -0.81 0.39 0.00 -1.42 -1.95 119.26 117.06 3fa3 h ALA 199 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fa3 h ALA 199 Cb 0.79 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3fa3 h ALA 199 CO 0.05 -0.40 0.54 0.00 0.00 0.00 0.00 179.25 179.44 3fa3 h ARG 200 N -0.32 1.07 0.00 0.00 3.08 -1.49 -3.11 114.38 113.61 3fa3 h ARG 200 Ca -0.01 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.80 3fa3 h ARG 200 Cb 0.29 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3fa3 h ARG 200 CO 0.01 0.71 -0.86 0.37 -1.07 0.00 0.00 179.97 179.13 3fa3 h GLN 201 N 1.10 0.03 -0.05 0.04 4.15 -0.88 -3.20 115.11 116.30 3fa3 h GLN 201 Ca 0.30 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.53 3fa3 h GLN 201 Cb -0.13 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3fa3 h GLN 201 CO -0.06 0.87 -0.64 -0.39 -1.93 0.00 0.00 178.83 176.67 3fa3 h VAL 202 N 0.01 1.41 -0.07 2.39 -1.51 -1.29 -2.10 116.25 115.09 3fa3 h VAL 202 Ca -0.01 -2.08 0.03 0.00 -1.23 0.00 0.00 66.70 63.40 3fa3 h VAL 202 Cb 1.51 2.08 -0.03 0.00 -2.13 0.00 0.00 31.29 32.72 3fa3 h VAL 202 CO 0.11 0.61 -0.10 0.40 -1.23 0.00 0.00 177.57 177.37 3fa3 h ILE 203 N 0.15 0.74 0.00 7.19 2.04 -1.59 0.14 117.51 126.18 3fa3 h ILE 203 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3fa3 h ILE 203 Cb 1.16 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3fa3 h ILE 203 CO 0.10 0.00 -0.33 -0.61 0.00 0.00 0.00 178.15 177.30 3fa3 h GLN 204 N -0.13 0.00 0.01 2.37 4.15 -1.54 -2.44 115.11 117.53 3fa3 h GLN 204 Ca 0.06 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.25 3fa3 h GLN 204 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.91 3fa3 h GLN 204 CO -0.15 0.33 -0.97 -0.44 -1.93 0.00 0.00 178.83 175.68 3fa3 h ASP 205 N 0.00 0.52 -1.89 -0.69 5.19 -1.09 -3.28 116.42 115.18 3fa3 h ASP 205 Ca -0.00 -0.43 -0.65 0.00 -0.62 0.00 0.00 57.03 55.33 3fa3 h ASP 205 Cb 0.74 -0.16 -0.37 0.00 0.18 0.00 0.00 39.33 39.72 3fa3 h ASP 205 CO 0.04 1.23 -0.11 0.18 -3.12 0.00 0.00 179.24 177.46 3fa3 n LEU 206 N -3.73 5.58 -4.75 1.55 4.77 0.48 -5.06 117.00 115.85 3fa3 n LEU 206 Ca -0.07 -5.27 -0.41 0.00 -0.03 0.00 0.00 56.01 50.23 3fa3 n LEU 206 Cb 0.85 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3fa3 n LEU 206 CO 0.51 2.14 1.12 0.00 -1.33 0.00 0.00 177.39 179.84 3fa3 s ALA 207 N -3.74 3.64 0.00 -1.18 0.00 -0.93 -2.28 121.76 117.27 3fa3 s ALA 207 Ca 0.48 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3fa3 s ALA 207 Cb 0.36 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3fa3 s ALA 207 CO -0.22 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.17 3fa3 n GLY 208 N 2.11 2.93 3.56 0.00 0.00 -1.26 -5.03 105.19 107.49 3fa3 n GLY 208 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.88 3.14 0.06 1.61 -0.00 -0.97 -5.03 118.94 114.89 3fa3 s TRP 209 Ca 0.00 0.24 -0.36 0.00 -0.00 0.00 0.00 56.10 55.99 3fa3 s TRP 209 Cb 0.00 -3.12 -0.15 0.00 -0.00 0.00 0.00 33.47 30.20 3fa3 s TRP 209 CO 0.00 -0.65 1.54 -2.30 -0.00 0.00 0.00 176.95 175.55 3fa3 n PRO 210 N 6.01 1.69 -4.19 5.86 -0.02 -1.26 -4.72 135.00 138.37 3fa3 n PRO 210 Ca -0.02 0.61 -0.27 0.00 -2.02 0.00 0.00 63.50 61.80 3fa3 n PRO 210 Cb 0.48 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 3fa3 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fa3 s LEU 211 N 1.38 3.35 -0.05 2.45 1.43 -1.26 0.05 118.68 126.02 3fa3 s LEU 211 Ca 0.84 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 3fa3 s LEU 211 Cb -0.82 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 3fa3 s LEU 211 CO 0.45 0.10 -0.21 -0.22 0.23 0.00 0.00 176.35 176.70 3fa3 s LEU 212 N -2.89 2.34 -0.25 1.79 0.20 0.14 -0.62 118.68 119.40 3fa3 s LEU 212 Ca 0.27 -0.38 -0.01 0.00 0.69 0.00 0.00 54.13 54.70 3fa3 s LEU 212 Cb -0.10 -1.45 0.03 0.00 -0.43 0.00 0.00 46.19 44.25 3fa3 s LEU 212 CO 0.19 0.29 -0.07 -0.22 -0.29 0.00 0.00 176.35 176.25 3fa3 s LEU 213 N -0.41 3.17 -0.79 -0.68 2.96 0.50 -4.39 118.68 119.04 3fa3 s LEU 213 Ca 0.04 -0.89 -0.25 0.00 -0.22 0.00 0.00 54.13 52.82 3fa3 s LEU 213 Cb -0.12 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 44.97 3fa3 s LEU 213 CO 0.02 -0.13 1.23 0.21 -1.32 0.00 0.00 176.35 176.36 3fa3 s ASN 214 N 1.32 6.26 -1.28 3.68 2.47 -1.26 -1.25 114.94 124.88 3fa3 s ASN 214 Ca -0.00 -0.87 -0.13 0.00 0.42 0.00 0.00 52.86 52.27 3fa3 s ASN 214 Cb -0.17 -2.52 0.14 0.00 -1.45 0.00 0.00 41.25 37.25 3fa3 s ASN 214 CO -0.05 -1.63 1.71 0.80 -3.72 0.00 0.00 177.10 174.21 3fa3 n MET 215 N 8.72 3.35 -3.06 0.43 0.00 0.19 -4.91 117.12 121.84 3fa3 n MET 215 Ca 0.09 -3.51 -0.40 0.00 -0.00 0.00 0.00 57.70 53.88 3fa3 n MET 215 Cb 0.49 -3.12 -0.05 0.00 0.00 0.00 0.00 33.22 30.54 3fa3 n MET 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3fa3 s VAL 216 N 1.89 5.04 0.45 1.12 1.01 -1.26 -4.38 120.40 124.27 3fa3 s VAL 216 Ca 0.44 1.43 -0.21 0.00 0.00 0.00 0.00 61.98 63.65 3fa3 s VAL 216 Cb 0.04 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 3fa3 s VAL 216 CO 0.01 0.26 0.98 -1.61 0.00 0.00 0.00 175.10 174.74 3fa3 s GLU 217 N 0.73 4.07 -1.52 2.72 2.02 -1.26 -4.05 118.70 121.41 3fa3 s GLU 217 Ca 0.37 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.55 3fa3 s GLU 217 Cb -0.18 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.90 3fa3 s GLU 217 CO 0.18 -0.18 0.00 0.72 0.02 0.00 0.00 175.26 176.00 3fa3 n HIS 218 N -0.80 -0.27 -0.23 1.61 8.25 -1.26 -4.92 115.22 117.59 3fa3 n HIS 218 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3fa3 n HIS 218 Cb 0.54 -2.90 0.00 0.00 1.12 0.00 0.00 29.99 28.75 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 -1.05 2.59 0.06 -1.41 0.00 -1.26 -4.98 105.19 99.14 3fa3 n GLY 219 Ca -0.17 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.24 3fa3 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fa3 n ALA 220 N -3.00 2.96 -2.87 4.61 0.00 -1.26 -4.87 120.51 116.07 3fa3 n ALA 220 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 3fa3 n ALA 220 Cb 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 3fa3 n ALA 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fa3 s THR 221 N -2.79 4.66 0.75 0.00 2.01 -1.17 -3.96 115.64 115.15 3fa3 s THR 221 Ca 0.19 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.99 3fa3 s THR 221 Cb 0.19 -3.14 0.05 0.00 0.01 0.00 0.00 72.50 69.61 3fa3 s THR 221 CO 0.57 0.40 1.12 -2.84 -0.69 0.00 0.00 174.62 173.18 3fa3 s PRO 222 N 0.93 2.22 -0.20 4.92 0.02 -1.26 -4.51 135.00 137.12 3fa3 s PRO 222 Ca 0.04 1.39 -0.29 0.00 0.02 0.00 0.00 61.00 62.17 3fa3 s PRO 222 Cb -0.14 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 3fa3 s PRO 222 CO 0.03 -1.70 2.01 -1.12 -0.33 0.00 0.00 177.00 175.89 3fa3 s SER 223 N -2.81 5.83 -0.21 2.53 0.01 -1.26 -4.97 113.70 112.82 3fa3 s SER 223 Ca 0.66 1.86 0.01 0.00 1.31 0.00 0.00 55.95 59.80 3fa3 s SER 223 Cb -0.21 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.53 3fa3 s SER 223 CO 0.50 -1.66 -0.16 -0.63 0.41 0.00 0.00 173.24 171.69 3fa3 s ILE 224 N 6.96 2.15 0.83 1.44 1.01 -1.26 -5.13 121.20 127.21 3fa3 s ILE 224 Ca 0.90 -1.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 3fa3 s ILE 224 Cb -0.31 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3fa3 s ILE 224 CO 0.35 0.33 0.31 -1.54 0.00 0.00 0.00 174.94 174.39 3fa3 n SER 225 N 4.56 -2.16 -0.03 3.58 3.41 -1.26 -4.77 113.62 116.95 3fa3 n SER 225 Ca -0.18 0.45 -0.15 0.00 -0.26 0.00 0.00 58.87 58.73 3fa3 n SER 225 Cb 0.47 -1.15 -0.11 0.00 -0.26 0.00 0.00 64.21 63.16 3fa3 n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fa3 h ALA 226 N -0.88 0.04 -0.90 7.33 0.00 -2.00 0.36 119.26 123.21 3fa3 h ALA 226 Ca -0.44 -0.44 0.26 0.00 0.00 0.00 0.00 54.91 54.28 3fa3 h ALA 226 Cb 1.32 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 3fa3 h ALA 226 CO 0.37 0.05 0.64 0.00 0.00 0.00 0.00 179.25 180.31 3fa3 h ALA 227 N 0.29 2.80 0.12 0.00 0.00 -2.00 -0.95 119.26 119.52 3fa3 h ALA 227 Ca -0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3fa3 h ALA 227 Cb 0.93 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3fa3 h ALA 227 CO 0.04 -1.06 -0.90 1.49 0.00 0.00 0.00 179.25 178.82 3fa3 h GLU 228 N 0.03 0.25 -0.89 0.00 4.81 -1.89 -2.90 114.58 114.00 3fa3 h GLU 228 Ca 0.43 -0.43 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3fa3 h GLU 228 Cb 1.67 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 31.15 3fa3 h GLU 228 CO -0.02 1.21 0.58 0.00 -0.73 0.00 0.00 179.01 180.04 3fa3 h ALA 229 N 0.03 1.55 0.10 2.92 0.00 0.10 0.14 119.26 124.09 3fa3 h ALA 229 Ca -0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fa3 h ALA 229 Cb 1.61 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3fa3 h ALA 229 CO 0.11 0.31 -0.05 -0.22 0.00 0.00 0.00 179.25 179.40 3fa3 h LYS 230 N 0.98 -0.13 -0.61 0.00 3.64 -1.33 -1.08 116.57 118.05 3fa3 h LYS 230 Ca 0.39 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.89 3fa3 h LYS 230 Cb 0.24 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 31.97 3fa3 h LYS 230 CO -0.15 -0.08 -0.17 -1.91 -2.27 0.00 0.00 179.45 174.87 3fa3 n GLU 231 N -2.36 -0.07 0.31 1.90 2.13 -1.09 0.80 120.64 122.25 3fa3 n GLU 231 Ca -0.02 0.95 0.17 0.00 0.66 0.00 0.00 57.16 58.92 3fa3 n GLU 231 Cb 0.05 -1.41 0.92 0.00 0.27 0.00 0.00 31.44 31.27 3fa3 n GLU 231 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 3fa3 h MET 232 N 0.00 0.00 0.00 5.31 2.86 -0.53 -3.45 114.93 119.13 3fa3 h MET 232 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3fa3 h MET 232 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3fa3 h MET 232 CO -0.62 0.00 0.00 0.41 1.06 0.00 0.00 176.91 177.76 3fa3 n GLY 233 N -1.18 1.10 3.84 8.32 0.00 0.24 -4.89 105.19 112.61 3fa3 n GLY 233 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 3.32 -0.13 1.61 0.40 -0.43 -4.75 117.98 116.00 3fa3 s PHE 234 Ca 0.00 1.43 0.14 0.00 -0.60 0.00 0.00 56.93 57.89 3fa3 s PHE 234 Cb 0.00 -2.84 -0.19 0.00 0.51 0.00 0.00 43.02 40.49 3fa3 s PHE 234 CO 0.00 -0.79 0.09 0.54 0.70 0.00 0.00 175.22 175.76 3fa3 n ARG 235 N -2.27 1.42 -4.38 0.44 5.12 0.21 -4.46 116.66 112.74 3fa3 n ARG 235 Ca 0.07 -0.03 -0.20 0.00 -1.93 0.00 0.00 57.85 55.77 3fa3 n ARG 235 Cb 0.54 -1.38 -0.14 0.00 -1.16 0.00 0.00 32.46 30.32 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 -2.46 1.01 -0.04 0.55 1.01 -0.51 -0.48 121.20 120.28 3fa3 s ILE 236 Ca -0.07 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.78 3fa3 s ILE 236 Cb 0.05 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 3fa3 s ILE 236 CO 0.62 0.07 -0.15 -0.51 0.00 0.00 0.00 174.94 174.97 3fa3 s ILE 237 N -0.68 1.26 0.14 2.92 2.07 -0.42 -0.37 121.20 126.11 3fa3 s ILE 237 Ca 0.02 -0.62 0.09 0.00 -1.41 0.00 0.00 60.65 58.73 3fa3 s ILE 237 Cb -0.07 -1.09 -0.04 0.00 0.13 0.00 0.00 42.46 41.39 3fa3 s ILE 237 CO 0.01 0.37 -0.21 0.27 -1.91 0.00 0.00 174.94 173.47 3fa3 s ILE 238 N 0.12 1.86 -0.51 2.00 -4.36 -0.38 -1.58 121.20 118.35 3fa3 s ILE 238 Ca -0.04 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.64 3fa3 s ILE 238 Cb -0.11 -1.76 0.17 0.00 1.25 0.00 0.00 42.46 42.01 3fa3 s ILE 238 CO 0.02 -0.14 0.38 -0.36 0.24 0.00 0.00 174.94 175.08 3fa3 s PHE 239 N -1.51 2.00 0.30 1.37 0.40 -0.91 0.53 117.98 120.16 3fa3 s PHE 239 Ca 0.12 -2.67 0.05 0.00 -0.60 0.00 0.00 56.93 53.83 3fa3 s PHE 239 Cb -0.08 -1.60 0.80 0.00 0.51 0.00 0.00 43.02 42.65 3fa3 s PHE 239 CO 0.06 -0.73 1.44 -2.30 0.70 0.00 0.00 175.22 174.39 3fa3 n PRO 240 N 2.61 -0.07 -1.00 0.24 -0.02 -1.26 -0.13 135.00 135.37 3fa3 n PRO 240 Ca 0.25 1.35 -0.10 0.00 -2.02 0.00 0.00 63.50 62.98 3fa3 n PRO 240 Cb 0.42 -2.20 0.25 0.00 -0.02 0.00 0.00 33.50 31.95 3fa3 n PRO 240 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3fa3 n PHE 241 N -5.30 2.28 -0.23 6.00 3.01 -1.26 -4.14 117.46 117.82 3fa3 n PHE 241 Ca 0.24 -1.45 0.07 0.00 1.01 0.00 0.00 57.45 57.32 3fa3 n PHE 241 Cb 0.80 -0.70 0.33 0.00 -0.01 0.00 0.00 39.48 39.89 3fa3 n PHE 241 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fa3 h ALA 242 N 1.79 1.67 0.00 4.37 0.00 -1.59 -2.29 119.26 123.21 3fa3 h ALA 242 Ca 0.35 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 3fa3 h ALA 242 Cb 2.31 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 3fa3 h ALA 242 CO 0.75 0.19 -1.59 0.00 0.00 0.00 0.00 179.25 178.60 3fa3 n ALA 243 N -2.43 1.83 0.02 0.00 0.00 -1.19 -4.56 120.51 114.17 3fa3 n ALA 243 Ca 0.12 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 3fa3 n ALA 243 Cb 0.26 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 3fa3 n ALA 243 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fa3 h LEU 244 N 0.00 -0.09 0.00 0.00 6.46 -1.78 -1.93 115.31 117.98 3fa3 h LEU 244 Ca -0.22 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 3fa3 h LEU 244 Cb 1.45 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.40 3fa3 h LEU 244 CO 0.01 0.43 0.00 0.61 -0.62 0.00 0.00 178.44 178.87 3fa3 n GLY 245 N 0.32 -3.08 0.25 3.75 0.00 -0.87 -0.35 105.19 105.22 3fa3 n GLY 245 Ca -0.08 0.50 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 3fa3 n GLY 245 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fa3 h PRO 246 N 0.00 -0.14 -0.65 1.61 0.11 -1.77 -2.14 132.00 129.02 3fa3 h PRO 246 Ca 0.00 0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.26 3fa3 h PRO 246 Cb 0.00 0.03 -0.11 0.00 0.11 0.00 0.00 31.00 31.03 3fa3 h PRO 246 CO 0.00 -0.09 0.01 0.00 -0.21 0.00 0.00 178.00 177.71 3fa3 h ALA 247 N 1.09 0.66 -0.09 -0.75 0.00 -0.92 0.49 119.26 119.75 3fa3 h ALA 247 Ca 0.18 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.33 3fa3 h ALA 247 Cb 0.43 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3fa3 h ALA 247 CO -0.46 -0.39 -0.14 0.28 0.00 0.00 0.00 179.25 178.54 3fa3 h VAL 248 N 0.12 0.64 0.14 0.00 2.07 -0.29 -2.19 116.25 116.74 3fa3 h VAL 248 Ca 0.35 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.86 3fa3 h VAL 248 Cb 0.57 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3fa3 h VAL 248 CO -0.56 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 176.97 3fa3 h ALA 249 N 0.85 -0.19 -0.60 1.67 0.00 -0.46 -1.38 119.26 119.16 3fa3 h ALA 249 Ca 0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3fa3 h ALA 249 Cb 0.29 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3fa3 h ALA 249 CO -0.20 -0.57 0.05 0.00 0.00 0.00 0.00 179.25 178.53 3fa3 h ALA 250 N 0.60 0.80 -0.57 0.00 0.00 -1.03 -2.63 119.26 116.42 3fa3 h ALA 250 Ca -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3fa3 h ALA 250 Cb 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3fa3 h ALA 250 CO 0.03 0.59 0.23 0.52 0.00 0.00 0.00 179.25 180.62 3fa3 h MET 251 N 0.92 0.84 -0.90 0.00 2.86 -1.40 0.69 114.93 117.94 3fa3 h MET 251 Ca 0.18 -0.15 0.12 0.00 -2.06 0.00 0.00 59.70 57.79 3fa3 h MET 251 Cb 0.48 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 3fa3 h MET 251 CO 0.02 0.72 0.53 -0.09 1.06 0.00 0.00 176.91 179.15 3fa3 h ARG 252 N 0.78 0.79 0.00 1.72 2.43 -1.10 -1.82 114.38 117.18 3fa3 h ARG 252 Ca 0.19 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3fa3 h ARG 252 Cb 0.19 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3fa3 h ARG 252 CO -0.02 0.53 -1.12 1.49 -1.51 0.00 0.00 179.97 179.34 3fa3 h GLU 253 N 0.82 0.00 -0.11 0.20 4.81 -1.28 -2.91 114.58 116.11 3fa3 h GLU 253 Ca 0.46 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.52 3fa3 h GLU 253 Cb 0.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3fa3 h GLU 253 CO -0.29 0.19 -0.64 0.00 -0.73 0.00 0.00 179.01 177.54 3fa3 h ALA 254 N 1.67 0.68 0.00 2.92 0.00 -0.61 -2.51 119.26 121.41 3fa3 h ALA 254 Ca -0.08 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 3fa3 h ALA 254 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3fa3 h ALA 254 CO 0.03 0.73 -0.34 0.52 0.00 0.00 0.00 179.25 180.18 3fa3 h MET 255 N 0.31 0.00 -0.20 0.00 2.86 -1.43 0.14 114.93 116.60 3fa3 h MET 255 Ca -0.01 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 3fa3 h MET 255 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3fa3 h MET 255 CO 0.11 0.34 -0.46 1.49 1.06 0.00 0.00 176.91 179.45 3fa3 h GLU 256 N 0.00 0.66 -0.88 1.72 4.57 -1.35 -0.63 114.58 118.66 3fa3 h GLU 256 Ca -0.00 -0.45 0.01 0.00 -1.18 0.00 0.00 59.36 57.74 3fa3 h GLU 256 Cb 0.80 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 3fa3 h GLU 256 CO 0.04 1.07 0.57 -0.22 -1.18 0.00 0.00 179.01 179.29 3fa3 h LYS 257 N 0.35 1.17 -0.12 1.92 3.64 -1.43 -2.73 116.57 119.37 3fa3 h LYS 257 Ca -0.00 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 3fa3 h LYS 257 Cb 1.07 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3fa3 h LYS 257 CO 0.10 0.78 -0.48 1.25 -2.27 0.00 0.00 179.45 178.84 3fa3 h LEU 258 N 1.20 0.32 -0.09 5.20 5.85 -0.61 0.32 115.31 127.49 3fa3 h LEU 258 Ca 0.32 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3fa3 h LEU 258 Cb -0.12 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3fa3 h LEU 258 CO -0.07 0.75 -0.03 0.11 -0.34 0.00 0.00 178.44 178.86 3fa3 h LYS 259 N 0.24 -0.02 0.00 1.25 1.79 -0.85 -2.80 116.57 116.18 3fa3 h LYS 259 Ca 0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3fa3 h LYS 259 Cb 0.93 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3fa3 h LYS 259 CO 0.08 -0.01 -0.03 0.00 -1.08 0.00 0.00 179.45 178.40 3fa3 h ARG 260 N -0.02 0.00 0.00 3.15 3.08 -1.42 -3.39 114.38 115.78 3fa3 h ARG 260 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3fa3 h ARG 260 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3fa3 h ARG 260 CO -0.10 0.41 0.00 -0.25 -1.07 0.00 0.00 179.97 178.96 3fa3 n ASP 261 N -4.70 0.00 -1.04 7.04 8.00 0.11 -4.86 116.55 121.10 3fa3 n ASP 261 Ca -0.05 0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 3fa3 n ASP 261 Cb 0.21 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.58 1.26 3.64 0.44 0.00 -1.06 -4.87 105.19 105.18 3fa3 n GLY 262 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.10 0.00 0.01 -0.61 2.07 -1.26 -5.10 121.20 114.21 3fa3 s ILE 263 Ca 0.00 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 3fa3 s ILE 263 Cb 0.00 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.52 3fa3 s ILE 263 CO 0.00 0.00 0.91 -0.65 -1.91 0.00 0.00 174.94 173.29 3fa3 h PRO 264 N 5.90 -0.46 -0.86 3.50 0.11 -1.90 -3.41 132.00 134.88 3fa3 h PRO 264 Ca -0.29 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3fa3 h PRO 264 Cb 1.20 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3fa3 h PRO 264 CO 0.14 -0.30 0.00 0.41 -0.21 0.00 0.00 178.00 178.04 3fa3 n GLY 265 N -0.42 0.65 3.76 -0.55 0.00 -1.26 -4.84 105.19 102.54 3fa3 n GLY 265 Ca -0.06 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3fa3 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fa3 s LEU 266 N -0.86 3.89 -0.11 0.99 1.43 -1.26 -4.91 118.68 117.84 3fa3 s LEU 266 Ca 0.00 2.50 -0.39 0.00 -1.03 0.00 0.00 54.13 55.21 3fa3 s LEU 266 Cb 0.00 -4.31 -0.17 0.00 0.03 0.00 0.00 46.19 41.74 3fa3 s LEU 266 CO 0.00 -1.29 1.50 -0.67 0.23 0.00 0.00 176.35 176.12 3fa3 n ASP 267 N -0.88 1.77 -0.43 2.29 2.03 -1.26 -4.86 116.55 115.21 3fa3 n ASP 267 Ca 0.10 1.11 0.33 0.00 0.52 0.00 0.00 54.79 56.85 3fa3 n ASP 267 Cb 0.47 -1.12 0.53 0.00 -0.72 0.00 0.00 41.12 40.27 3fa3 n ASP 267 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3fa3 n LYS 268 N 3.70 -0.01 0.08 -0.67 4.76 -1.26 -1.36 118.16 123.39 3fa3 n LYS 268 Ca 0.23 0.79 0.09 0.00 -2.87 0.00 0.00 58.31 56.54 3fa3 n LYS 268 Cb 0.14 -1.71 0.40 0.00 -1.84 0.00 0.00 35.03 32.02 3fa3 n LYS 268 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3fa3 n GLU 269 N -3.59 0.11 -2.42 1.97 2.13 -1.26 -3.82 120.64 113.76 3fa3 n GLU 269 Ca 0.30 0.41 -0.41 0.00 0.66 0.00 0.00 57.16 58.11 3fa3 n GLU 269 Cb 1.27 -1.73 0.01 0.00 0.27 0.00 0.00 31.44 31.26 3fa3 n GLU 269 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3fa3 n MET 270 N -1.94 4.78 -2.03 5.31 2.81 -0.47 -4.76 117.12 120.82 3fa3 n MET 270 Ca 0.02 -4.07 -0.35 0.00 -1.81 0.00 0.00 57.70 51.49 3fa3 n MET 270 Cb 0.16 -2.59 0.03 0.00 -0.71 0.00 0.00 33.22 30.11 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 -2.38 2.90 0.21 2.03 -4.23 -1.25 -4.86 115.64 108.06 3fa3 s THR 271 Ca 0.43 0.53 -0.09 0.00 -1.18 0.00 0.00 61.69 61.39 3fa3 s THR 271 Cb 0.16 -3.17 0.15 0.00 1.34 0.00 0.00 72.50 70.98 3fa3 s THR 271 CO -0.07 -0.15 1.80 -0.65 -0.54 0.00 0.00 174.62 175.02 3fa3 h PRO 272 N 0.81 0.66 -0.94 3.99 0.11 -1.97 0.13 132.00 134.79 3fa3 h PRO 272 Ca -0.50 -0.04 0.22 0.00 0.11 0.00 0.00 66.00 65.80 3fa3 h PRO 272 Cb 1.28 -0.15 -0.18 0.00 0.11 0.00 0.00 31.00 32.06 3fa3 h PRO 272 CO 0.55 0.43 -0.11 1.04 -0.21 0.00 0.00 178.00 179.71 3fa3 n GLN 273 N -4.80 -0.08 0.10 1.05 3.00 -1.26 1.00 117.38 116.39 3fa3 n GLN 273 Ca 0.09 1.44 -0.13 0.00 -0.01 0.00 0.00 57.00 58.38 3fa3 n GLN 273 Cb 0.19 -2.21 -0.08 0.00 0.00 0.00 0.00 30.24 28.14 3fa3 n GLN 273 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 3fa3 h MET 274 N 0.00 -0.21 -0.94 -1.09 1.85 -1.10 -1.65 114.93 111.79 3fa3 h MET 274 Ca 0.51 0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.69 3fa3 h MET 274 Cb 0.92 0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.93 3fa3 h MET 274 CO -0.93 0.00 0.59 -0.07 -0.40 0.00 0.00 176.91 176.11 3fa3 h LEU 275 N -0.41 0.92 -0.07 3.39 -0.00 0.81 -0.38 115.31 119.58 3fa3 h LEU 275 Ca -0.02 0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 3fa3 h LEU 275 Cb 0.32 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 3fa3 h LEU 275 CO 0.04 0.57 -0.29 -0.26 -0.00 0.00 0.00 178.44 178.49 3fa3 h PHE 276 N 1.04 0.43 -0.66 1.13 0.05 0.63 -2.69 116.94 116.87 3fa3 h PHE 276 Ca 0.42 -0.18 0.16 0.00 3.82 0.00 0.00 57.97 62.18 3fa3 h PHE 276 Cb 0.24 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.08 3fa3 h PHE 276 CO -0.02 0.91 0.46 0.00 -0.18 0.00 0.00 178.31 179.48 3fa3 h ARG 277 N -0.17 0.20 -0.89 1.51 3.08 -1.16 0.82 114.38 117.78 3fa3 h ARG 277 Ca -0.02 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.13 3fa3 h ARG 277 Cb 0.93 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 3fa3 h ARG 277 CO 0.06 0.13 0.58 0.28 -1.07 0.00 0.00 179.97 179.95 3fa3 h VAL 278 N 0.21 0.93 -0.99 2.04 2.07 -0.72 -2.24 116.25 117.55 3fa3 h VAL 278 Ca 0.32 -0.29 -0.67 0.00 0.82 0.00 0.00 66.70 66.89 3fa3 h VAL 278 Cb 0.97 0.02 -0.29 0.00 -1.52 0.00 0.00 31.29 30.47 3fa3 h VAL 278 CO -0.06 0.15 0.86 0.00 0.02 0.00 0.00 177.57 178.54 3fa3 n GLY 280 N -0.89 0.01 0.28 0.00 0.00 -0.84 -4.91 105.19 98.83 3fa3 n GLY 280 Ca 0.62 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.78 -0.98 0.99 5.85 -1.65 0.15 115.31 118.89 3fa3 h LEU 281 Ca -0.26 0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3fa3 h LEU 281 Cb 1.16 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 3fa3 h LEU 281 CO 0.31 -0.25 0.65 0.44 -0.34 0.00 0.00 178.44 179.26 3fa3 h ASP 282 N -0.07 1.13 -0.17 1.25 3.32 -1.87 -0.99 116.42 119.01 3fa3 h ASP 282 Ca 0.27 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 3fa3 h ASP 282 Cb 0.50 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3fa3 h ASP 282 CO -0.64 0.82 -0.46 -0.08 -1.72 0.00 0.00 179.24 177.16 3fa3 h GLU 283 N 1.34 0.62 -1.00 3.56 4.57 -1.89 -2.95 114.58 118.83 3fa3 h GLU 283 Ca 0.36 -0.43 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 3fa3 h GLU 283 Cb -0.15 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.43 3fa3 h GLU 283 CO -0.08 1.05 0.64 0.77 -1.18 0.00 0.00 179.01 180.21 3fa3 h SER 284 N 0.29 1.00 0.52 1.04 0.02 0.54 -2.76 113.55 114.19 3fa3 h SER 284 Ca -0.01 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 3fa3 h SER 284 Cb 1.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3fa3 h SER 284 CO 0.10 0.61 -0.72 0.24 -1.14 0.00 0.00 176.83 175.91 3fa3 h MET 285 N 1.11 0.17 -0.25 3.45 2.86 -1.20 -3.08 114.93 117.98 3fa3 h MET 285 Ca 0.45 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 3fa3 h MET 285 Cb 0.26 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3fa3 h MET 285 CO -0.20 0.82 -0.04 0.87 1.06 0.00 0.00 176.91 179.42 3fa3 h LYS 286 N 0.11 0.48 -0.86 1.72 1.57 -1.32 0.95 116.57 119.21 3fa3 h LYS 286 Ca -0.02 -0.17 0.17 0.00 -1.87 0.00 0.00 60.65 58.75 3fa3 h LYS 286 Cb 1.28 -0.03 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 3fa3 h LYS 286 CO 0.11 0.68 -0.25 0.28 -0.57 0.00 0.00 179.45 179.70 3fa3 h VAL 287 N 0.23 0.11 -0.23 0.50 2.07 -1.51 3.19 116.25 120.62 3fa3 h VAL 287 Ca 0.07 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.43 3fa3 h VAL 287 Cb 0.50 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3fa3 h VAL 287 CO 0.02 0.00 -0.49 -0.78 0.02 0.00 0.00 177.57 176.34 3fa3 h ASP 288 N -0.01 0.69 -0.01 0.57 3.58 -1.43 -2.28 116.42 117.54 3fa3 h ASP 288 Ca 0.40 -0.35 -0.26 0.00 0.42 0.00 0.00 57.03 57.24 3fa3 h ASP 288 Cb 0.63 -0.20 0.02 0.00 1.72 0.00 0.00 39.33 41.50 3fa3 h ASP 288 CO -0.89 1.06 -1.01 0.00 -2.88 0.00 0.00 179.24 175.52 3fa3 h ALA 289 N 0.96 0.13 -0.40 -0.78 0.00 0.13 -0.19 119.26 119.11 3fa3 h ALA 289 Ca 0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3fa3 h ALA 289 Cb 1.03 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3fa3 h ALA 289 CO 0.10 0.66 -0.07 1.96 0.00 0.00 0.00 179.25 181.90 3fa3 h GLN 290 N 0.37 0.67 -0.67 0.00 4.20 0.57 -2.74 115.11 117.52 3fa3 h GLN 290 Ca -0.13 -0.19 0.09 0.00 0.06 0.00 0.00 58.65 58.48 3fa3 h GLN 290 Cb 1.67 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.33 3fa3 h GLN 290 CO 0.20 0.74 0.44 0.00 -0.67 0.00 0.00 178.83 179.54 3fa3 h ALA 291 N 1.30 1.86 0.00 3.87 0.00 -1.39 -3.45 119.26 121.45 3fa3 h ALA 291 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fa3 h ALA 291 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fa3 h ALA 291 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3fa3 n GLY 292 N -1.48 1.34 3.55 0.00 0.00 -1.03 -5.10 105.19 102.46 3fa3 n GLY 292 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -0.52 0.39 -0.02 0.00 -0.09 -4.93 105.19 100.02 3fa3 n GLY 293 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 0.35 2.31 0.33 4.61 0.00 -1.26 -4.19 120.51 122.66 3fa3 n ALA 294 Ca 0.12 -0.83 0.22 0.00 0.00 0.00 0.00 53.44 52.95 3fa3 n ALA 294 Cb 0.29 -0.29 1.18 0.00 0.00 0.00 0.00 19.45 20.63 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 1.50 1.08 -3.30 0.00 0.00 -1.91 -3.23 119.26 113.40 3fa3 h ALA 295 Ca 0.00 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3fa3 h ALA 295 Cb 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.88 3fa3 h ALA 295 CO 0.00 -0.01 -0.72 -0.06 0.00 0.00 0.00 179.25 178.46 3fa3 s PHE 296 N -4.21 2.60 -0.07 0.00 0.40 -1.26 -4.93 117.98 110.51 3fa3 s PHE 296 Ca -0.05 -2.51 0.10 0.00 -0.60 0.00 0.00 56.93 53.86 3fa3 s PHE 296 Cb 0.13 -2.28 0.15 0.00 0.51 0.00 0.00 43.02 41.52 3fa3 s PHE 296 CO 0.42 -0.85 1.04 -3.47 0.70 0.00 0.00 175.22 173.06 3fa3 n ASP 297 N 4.05 1.41 0.00 1.36 -0.08 -1.22 -4.55 116.55 117.52 3fa3 n ASP 297 Ca 0.04 -2.47 0.00 0.00 -1.51 0.00 0.00 54.79 50.84 3fa3 n ASP 297 Cb 0.38 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.57 3fa3 n ASP 297 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fa3 n GLY 298 N -0.78 1.00 5.29 0.27 0.00 -1.26 -5.13 105.19 104.58 3fa3 n GLY 298 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.30 1.70 -0.02 0.00 -1.26 -4.50 105.19 101.41 3fa3 n GLY 299 Ca 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 3fa3 n GLY 299 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fa3 n VAL 300 N 0.00 0.20 0.16 1.61 0.24 -1.26 -4.91 118.33 114.37 3fa3 n VAL 300 Ca 0.00 -1.00 0.02 0.00 -2.04 0.00 0.00 64.34 61.32 3fa3 n VAL 300 Cb 0.00 0.89 0.02 0.00 -1.47 0.00 0.00 33.84 33.28 3fa3 n VAL 300 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79