#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1al2 n LEU 2 N 0.00 3.74 -4.64 0.99 7.94 -1.26 -4.90 117.00 118.88 1al2 n LEU 2 Ca 0.00 0.86 -0.47 0.00 -1.11 0.00 0.00 56.01 55.28 1al2 n LEU 2 Cb 0.00 -1.46 -0.05 0.00 0.53 0.00 0.00 43.42 42.45 1al2 n LEU 2 CO 0.00 -0.00 1.59 -2.65 -1.11 0.00 0.00 177.39 175.21 1al2 n PRO 3 N 7.31 2.11 -4.24 1.96 -0.02 -1.26 -4.98 135.00 135.88 1al2 n PRO 3 Ca 0.23 0.74 -0.18 0.00 -2.02 0.00 0.00 63.50 62.26 1al2 n PRO 3 Cb 0.36 -2.74 -0.11 0.00 -0.02 0.00 0.00 33.50 30.99 1al2 n PRO 3 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1al2 s VAL 4 N 5.03 1.32 -0.17 -1.45 -7.23 -1.26 -5.14 120.40 111.51 1al2 s VAL 4 Ca 0.95 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1al2 s VAL 4 Cb -0.64 -1.48 0.05 0.00 0.56 0.00 0.00 36.38 34.87 1al2 s VAL 4 CO 0.48 -0.38 -0.00 -0.32 -0.31 0.00 0.00 175.10 174.57 1al2 s MET 5 N -2.54 0.96 0.07 4.82 1.75 -1.26 -5.10 119.30 117.99 1al2 s MET 5 Ca 0.08 -0.40 -0.30 0.00 -1.25 0.00 0.00 55.69 53.81 1al2 s MET 5 Cb -0.06 -1.91 -0.09 0.00 2.84 0.00 0.00 34.83 35.61 1al2 s MET 5 CO 0.03 -0.51 1.88 -0.80 -0.65 0.00 0.00 175.02 174.97 1al2 s ASN 6 N 1.77 6.46 0.37 1.11 0.01 -1.26 -5.02 114.94 118.39 1al2 s ASN 6 Ca 0.00 2.67 -0.00 0.00 -0.71 0.00 0.00 52.86 54.83 1al2 s ASN 6 Cb -0.16 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 1al2 s ASN 6 CO -0.07 -1.02 0.59 0.42 -1.51 0.00 0.00 177.10 175.50 1al2 s THR 7 N 3.69 4.93 0.42 1.60 -4.23 -1.26 -5.03 115.64 115.77 1al2 s THR 7 Ca 0.84 -0.41 -0.23 0.00 -1.18 0.00 0.00 61.69 60.71 1al2 s THR 7 Cb -0.43 -3.81 -0.12 0.00 1.34 0.00 0.00 72.50 69.48 1al2 s THR 7 CO 0.38 -0.55 0.66 -2.65 -0.54 0.00 0.00 174.62 171.92 1al2 n PRO 8 N -1.87 0.74 0.00 3.99 -0.02 -1.26 -2.20 135.00 134.38 1al2 n PRO 8 Ca -0.03 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1al2 n PRO 8 Cb 0.56 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1al2 n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1al2 n GLY 9 N 1.64 3.40 3.65 -1.23 0.00 -1.26 -5.04 105.19 106.37 1al2 n GLY 9 Ca 0.11 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.63 1al2 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1al2 n SER 10 N 0.01 2.56 0.00 1.61 7.64 -0.93 -2.13 113.62 122.38 1al2 n SER 10 Ca 0.00 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1al2 n SER 10 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1al2 n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1al2 n ASN 11 N 4.11 0.00 -4.77 6.43 3.02 -1.26 -5.03 115.26 117.75 1al2 n ASN 11 Ca 0.20 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.43 1al2 n ASN 11 Cb 0.23 -0.30 0.07 0.00 -0.61 0.00 0.00 39.78 39.17 1al2 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1al2 s GLN 12 N -0.09 2.51 -0.37 3.52 -2.07 -0.90 -5.03 119.66 117.23 1al2 s GLN 12 Ca 0.00 1.26 -0.00 0.00 -1.82 0.00 0.00 55.36 54.80 1al2 s GLN 12 Cb 0.00 -1.92 0.10 0.00 -1.09 0.00 0.00 33.01 30.10 1al2 s GLN 12 CO 0.00 -1.46 0.12 -0.47 -1.32 0.00 0.00 175.29 172.16 1al2 s TYR 13 N -2.65 3.62 -0.24 9.60 5.04 -1.26 -5.07 117.35 126.38 1al2 s TYR 13 Ca 0.64 -2.59 -0.22 0.00 -2.44 0.00 0.00 57.07 52.46 1al2 s TYR 13 Cb -0.19 -2.97 -0.01 0.00 0.35 0.00 0.00 41.96 39.14 1al2 s TYR 13 CO 0.49 -0.95 0.72 -1.17 -1.34 0.00 0.00 175.55 173.31 1al2 s LEU 14 N 1.06 4.08 0.54 6.97 2.96 -1.26 -4.95 118.68 128.08 1al2 s LEU 14 Ca 0.08 0.88 0.36 0.00 -0.22 0.00 0.00 54.13 55.22 1al2 s LEU 14 Cb -0.21 -3.01 1.76 0.00 0.50 0.00 0.00 46.19 45.23 1al2 s LEU 14 CO -0.05 -0.42 2.08 0.71 -1.32 0.00 0.00 176.35 177.35 1al2 h THR 15 N 5.39 0.00 -0.52 3.68 1.35 -2.07 -1.36 112.91 119.38 1al2 h THR 15 Ca -0.26 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1al2 h THR 15 Cb 1.11 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1al2 h THR 15 CO 0.82 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.09 1al2 n ALA 16 N -2.01 2.42 -1.11 6.62 0.00 -1.26 -5.00 120.51 120.17 1al2 n ALA 16 Ca -0.01 -0.94 -0.29 0.00 0.00 0.00 0.00 53.44 52.19 1al2 n ALA 16 Cb 0.17 -0.96 0.20 0.00 0.00 0.00 0.00 19.45 18.86 1al2 n ALA 16 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1al2 s ASP 17 N -1.07 1.89 -0.42 0.00 -4.77 -0.51 -5.03 116.67 106.76 1al2 s ASP 17 Ca 0.37 0.99 0.06 0.00 -3.30 0.00 0.00 52.55 50.67 1al2 s ASP 17 Cb 0.19 -1.51 0.22 0.00 -1.09 0.00 0.00 42.92 40.73 1al2 s ASP 17 CO 0.26 -3.56 0.54 -3.20 0.70 0.00 0.00 175.17 169.90 1al2 n ASN 18 N -4.43 -0.74 -4.61 2.11 5.15 -1.26 -5.11 115.26 106.37 1al2 n ASN 18 Ca 0.08 -2.70 -0.24 0.00 -0.60 0.00 0.00 54.58 51.12 1al2 n ASN 18 Cb 0.58 -0.08 -0.08 0.00 -0.53 0.00 0.00 39.78 39.67 1al2 n ASN 18 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1al2 s PHE 19 N -0.40 2.57 0.63 1.20 0.08 -1.26 -5.13 117.98 115.67 1al2 s PHE 19 Ca 0.34 -0.31 -0.13 0.00 0.12 0.00 0.00 56.93 56.94 1al2 s PHE 19 Cb 0.13 -1.24 -0.02 0.00 -0.57 0.00 0.00 43.02 41.31 1al2 s PHE 19 CO -0.15 0.59 1.05 -0.65 -0.10 0.00 0.00 175.22 175.96 1al2 s GLN 20 N -3.66 3.25 0.08 0.44 -0.21 -1.26 -5.10 119.66 113.20 1al2 s GLN 20 Ca 0.32 1.04 -0.20 0.00 0.02 0.00 0.00 55.36 56.54 1al2 s GLN 20 Cb -0.04 -2.03 0.05 0.00 1.00 0.00 0.00 33.01 31.98 1al2 s GLN 20 CO 0.19 -0.86 0.47 -1.54 -2.12 0.00 0.00 175.29 171.44 1al2 s SER 21 N -3.34 -0.37 0.38 5.90 1.04 -1.26 -5.15 113.70 110.90 1al2 s SER 21 Ca 0.60 -0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.76 1al2 s SER 21 Cb -0.14 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.37 1al2 s SER 21 CO 0.45 -0.77 1.24 -2.16 0.98 0.00 0.00 173.24 172.99 1al2 s PRO 22 N -2.95 4.14 -0.18 4.02 0.04 -1.26 -4.97 135.00 133.84 1al2 s PRO 22 Ca -0.02 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 1al2 s PRO 22 Cb -0.00 -2.84 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 1al2 s PRO 22 CO -0.06 -0.31 0.93 0.00 0.04 0.00 0.00 177.00 177.60 1al2 h ALA 24 N 7.35 1.02 -2.76 0.00 0.00 -2.09 -3.35 119.26 119.43 1al2 h ALA 24 Ca -0.26 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.01 1al2 h ALA 24 Cb 1.11 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.48 1al2 h ALA 24 CO 0.89 0.04 -0.66 1.28 0.00 0.00 0.00 179.25 180.79 1al2 n LEU 25 N -3.16 2.46 -4.72 0.00 4.77 -1.26 -5.11 117.00 109.97 1al2 n LEU 25 Ca -0.00 -5.09 -0.36 0.00 -0.03 0.00 0.00 56.01 50.53 1al2 n LEU 25 Cb 0.29 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 1al2 n LEU 25 CO 0.27 1.84 0.87 -2.16 -1.33 0.00 0.00 177.39 176.88 1al2 s PRO 26 N -1.39 2.31 -0.92 3.23 0.04 -1.26 -3.34 135.00 133.67 1al2 s PRO 26 Ca 0.29 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1al2 s PRO 26 Cb 0.01 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1al2 s PRO 26 CO -0.15 -1.76 0.00 0.39 0.04 0.00 0.00 177.00 175.53 1al2 n GLU 27 N -2.29 -1.21 -1.69 4.56 -0.58 -1.26 -4.90 120.64 113.27 1al2 n GLU 27 Ca 0.15 0.51 -0.43 0.00 -0.42 0.00 0.00 57.16 56.97 1al2 n GLU 27 Cb 0.49 -4.68 -0.03 0.00 -0.57 0.00 0.00 31.44 26.64 1al2 n GLU 27 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1al2 n PHE 28 N -1.60 2.56 -2.14 -0.32 -0.00 -1.21 -4.91 117.46 109.84 1al2 n PHE 28 Ca -0.09 -0.03 -0.29 0.00 -0.00 0.00 0.00 57.45 57.03 1al2 n PHE 28 Cb 0.29 -2.68 -0.05 0.00 -0.00 0.00 0.00 39.48 37.04 1al2 n PHE 28 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1al2 s ASP 29 N 2.30 5.36 0.28 -2.13 2.15 -1.26 -4.97 116.67 118.40 1al2 s ASP 29 Ca 0.81 -1.07 -0.30 0.00 0.43 0.00 0.00 52.55 52.43 1al2 s ASP 29 Cb -0.54 -2.57 -0.11 0.00 -0.30 0.00 0.00 42.92 39.40 1al2 s ASP 29 CO 0.38 -2.60 1.51 -0.69 -0.17 0.00 0.00 175.17 173.60 1al2 s VAL 30 N 9.41 2.33 0.03 1.11 1.01 -1.26 -4.97 120.40 128.05 1al2 s VAL 30 Ca 0.66 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 1al2 s VAL 30 Cb -0.04 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1al2 s VAL 30 CO 0.02 0.05 1.34 -0.89 0.00 0.00 0.00 175.10 175.61 1al2 s THR 31 N -0.14 3.75 0.82 3.92 2.01 -1.26 -5.01 115.64 119.73 1al2 s THR 31 Ca 0.60 1.18 -0.13 0.00 0.31 0.00 0.00 61.69 63.66 1al2 s THR 31 Cb -0.45 -3.76 0.09 0.00 0.01 0.00 0.00 72.50 68.39 1al2 s THR 31 CO 0.47 0.03 1.20 -2.16 -0.69 0.00 0.00 174.62 173.48 1al2 s PRO 32 N 1.86 1.55 0.75 4.92 0.04 -1.26 -5.02 135.00 137.84 1al2 s PRO 32 Ca 0.62 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 1al2 s PRO 32 Cb -0.31 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.50 1al2 s PRO 32 CO 0.27 -2.28 1.09 -1.25 0.04 0.00 0.00 177.00 174.87 1al2 s PRO 33 N -4.22 2.44 0.35 0.56 0.04 -1.26 -5.08 135.00 127.83 1al2 s PRO 33 Ca 0.72 1.14 0.08 0.00 0.04 0.00 0.00 61.00 62.98 1al2 s PRO 33 Cb -0.28 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1al2 s PRO 33 CO 0.52 -1.50 -0.05 0.96 0.04 0.00 0.00 177.00 176.97 1al2 s ILE 34 N -2.89 1.97 -1.21 0.56 -4.36 -1.26 -5.05 121.20 108.95 1al2 s ILE 34 Ca 0.61 -2.12 -0.15 0.00 -0.26 0.00 0.00 60.65 58.73 1al2 s ILE 34 Cb -0.17 -2.70 0.15 0.00 1.25 0.00 0.00 42.46 40.99 1al2 s ILE 34 CO 0.55 -0.16 1.47 -0.62 0.24 0.00 0.00 174.94 176.42 1al2 s ASP 35 N -3.59 7.02 0.07 4.36 2.15 -1.26 -4.95 116.67 120.47 1al2 s ASP 35 Ca 0.33 -2.87 -0.31 0.00 0.43 0.00 0.00 52.55 50.13 1al2 s ASP 35 Cb 0.05 -2.43 -0.07 0.00 -0.30 0.00 0.00 42.92 40.18 1al2 s ASP 35 CO 0.16 -0.82 1.32 -0.63 -0.17 0.00 0.00 175.17 175.03 1al2 s ILE 36 N 2.02 3.64 0.67 4.11 1.01 -1.26 -5.02 121.20 126.38 1al2 s ILE 36 Ca 0.44 1.15 -0.17 0.00 0.00 0.00 0.00 60.65 62.07 1al2 s ILE 36 Cb -0.02 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1al2 s ILE 36 CO 0.01 0.07 1.25 -2.84 0.00 0.00 0.00 174.94 173.43 1al2 s PRO 37 N 1.37 2.43 0.00 2.79 0.02 -1.26 -4.18 135.00 136.17 1al2 s PRO 37 Ca 0.62 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1al2 s PRO 37 Cb -0.33 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1al2 s PRO 37 CO 0.29 -1.65 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 1al2 n GLY 38 N 0.66 0.79 3.75 0.52 0.00 -1.26 -5.04 105.19 104.62 1al2 n GLY 38 Ca 0.15 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1al2 n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1al2 s GLU 39 N -2.18 4.31 -0.14 1.61 2.12 -1.26 -5.02 118.70 118.15 1al2 s GLU 39 Ca 0.00 2.24 -0.03 0.00 0.36 0.00 0.00 54.97 57.54 1al2 s GLU 39 Cb 0.00 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 1al2 s GLU 39 CO 0.00 -0.32 -0.03 0.08 -0.54 0.00 0.00 175.26 174.46 1al2 s VAL 40 N -0.41 4.00 -0.07 3.70 1.01 -1.26 -5.02 120.40 122.35 1al2 s VAL 40 Ca 0.55 -0.33 0.18 0.00 0.00 0.00 0.00 61.98 62.38 1al2 s VAL 40 Cb -0.40 -2.73 -0.28 0.00 0.00 0.00 0.00 36.38 32.97 1al2 s VAL 40 CO 0.46 0.52 0.32 0.29 0.00 0.00 0.00 175.10 176.70 1al2 n LYS 41 N 3.18 0.72 -3.76 2.72 4.76 -1.26 -5.00 118.16 119.52 1al2 n LYS 41 Ca -0.18 -0.13 -0.12 0.00 -2.87 0.00 0.00 58.31 55.01 1al2 n LYS 41 Cb 0.53 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 32.14 1al2 n LYS 41 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1al2 s ASN 42 N -4.50 -0.28 0.57 4.39 3.84 -1.26 -5.05 114.94 112.65 1al2 s ASN 42 Ca -0.08 0.54 0.26 0.00 0.21 0.00 0.00 52.86 53.80 1al2 s ASN 42 Cb 0.10 0.50 1.53 0.00 -0.55 0.00 0.00 41.25 42.83 1al2 s ASN 42 CO 0.78 -0.12 2.06 0.24 -2.79 0.00 0.00 177.10 177.27 1al2 h MET 43 N 6.34 0.00 0.00 0.43 2.86 -2.02 -0.95 114.93 121.58 1al2 h MET 43 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1al2 h MET 43 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1al2 h MET 43 CO 0.35 0.00 0.00 0.52 1.06 0.00 0.00 176.91 178.84 1al2 h MET 44 N 0.00 0.00 -0.89 1.72 2.86 -1.96 -1.11 114.93 115.55 1al2 h MET 44 Ca 0.14 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1al2 h MET 44 Cb 0.66 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 1al2 h MET 44 CO -0.00 0.00 0.55 0.93 1.06 0.00 0.00 176.91 179.45 1al2 h GLU 45 N 0.00 1.19 -0.40 1.72 5.08 -1.60 -1.72 114.58 118.86 1al2 h GLU 45 Ca 0.00 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1al2 h GLU 45 Cb 0.26 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1al2 h GLU 45 CO 0.00 0.82 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.54 1al2 h LEU 46 N 1.22 0.82 -2.04 1.33 3.38 -1.36 -2.18 115.31 116.48 1al2 h LEU 46 Ca 0.32 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1al2 h LEU 46 Cb -0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1al2 h LEU 46 CO -0.06 1.01 -0.09 0.00 0.09 0.00 0.00 178.44 179.39 1al2 h ALA 47 N 1.05 1.30 -0.00 1.53 0.00 -1.18 -2.30 119.26 119.65 1al2 h ALA 47 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1al2 h ALA 47 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1al2 h ALA 47 CO 0.06 0.11 -0.03 0.39 0.00 0.00 0.00 179.25 179.78 1al2 n GLU 48 N -3.64 0.20 -2.82 0.00 1.02 -0.69 -0.52 120.64 114.19 1al2 n GLU 48 Ca -0.02 -0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 1al2 n GLU 48 Cb 0.21 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 1al2 n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1al2 s ILE 49 N -2.81 4.91 -0.10 -3.67 1.01 -0.87 -4.54 121.20 115.14 1al2 s ILE 49 Ca 0.20 1.84 -0.34 0.00 0.00 0.00 0.00 60.65 62.35 1al2 s ILE 49 Cb 0.19 -4.22 -0.11 0.00 0.01 0.00 0.00 42.46 38.33 1al2 s ILE 49 CO 0.51 0.16 1.90 0.47 0.00 0.00 0.00 174.94 177.98 1al2 n ASP 50 N 4.11 3.45 -4.39 3.58 8.00 -1.26 -4.62 116.55 125.41 1al2 n ASP 50 Ca 0.04 0.94 -0.25 0.00 0.71 0.00 0.00 54.79 56.23 1al2 n ASP 50 Cb 0.51 -1.38 -0.12 0.00 -0.02 0.00 0.00 41.12 40.11 1al2 n ASP 50 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1al2 s THR 51 N 4.30 2.17 0.09 -3.53 -4.23 -0.91 -4.92 115.64 108.61 1al2 s THR 51 Ca 0.93 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 59.17 1al2 s THR 51 Cb -0.68 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1al2 s THR 51 CO 0.51 -0.17 1.03 -0.32 -0.54 0.00 0.00 174.62 175.14 1al2 s MET 52 N -2.65 4.60 -0.01 3.99 1.75 -1.26 -1.77 119.30 123.94 1al2 s MET 52 Ca 0.18 1.55 -0.27 0.00 -1.25 0.00 0.00 55.69 55.91 1al2 s MET 52 Cb -0.07 -3.37 -0.04 0.00 2.84 0.00 0.00 34.83 34.19 1al2 s MET 52 CO 0.09 0.04 0.85 0.42 -0.65 0.00 0.00 175.02 175.77 1al2 s ILE 53 N 0.37 4.90 -1.45 10.11 1.01 0.44 -4.87 121.20 131.71 1al2 s ILE 53 Ca 0.51 1.78 -0.14 0.00 0.00 0.00 0.00 60.65 62.80 1al2 s ILE 53 Cb -0.25 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.04 1al2 s ILE 53 CO 0.30 0.22 2.31 -0.81 0.00 0.00 0.00 174.94 176.97 1al2 n PRO 54 N 3.68 2.89 -0.24 2.79 -0.04 -1.25 -4.49 135.00 138.34 1al2 n PRO 54 Ca 0.02 -2.50 -0.03 0.00 -0.04 0.00 0.00 63.50 60.95 1al2 n PRO 54 Cb 0.51 -3.20 0.08 0.00 -0.04 0.00 0.00 33.50 30.84 1al2 n PRO 54 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1al2 h PHE 55 N 5.96 0.79 -2.76 0.54 0.04 -1.53 -3.36 116.94 116.61 1al2 h PHE 55 Ca 0.60 0.02 -0.78 0.00 2.80 0.00 0.00 57.97 60.61 1al2 h PHE 55 Cb 0.59 -0.26 -0.24 0.00 2.20 0.00 0.00 35.95 38.24 1al2 h PHE 55 CO 1.51 0.45 0.97 -3.47 -0.60 0.00 0.00 178.31 177.17 1al2 n ASP 56 N -4.68 5.65 -1.76 2.17 -0.08 -0.36 -4.84 116.55 112.65 1al2 n ASP 56 Ca 0.07 -3.14 -0.10 0.00 -1.51 0.00 0.00 54.79 50.11 1al2 n ASP 56 Cb 0.09 -1.40 0.01 0.00 2.34 0.00 0.00 41.12 42.15 1al2 n ASP 56 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1al2 n LEU 57 N 3.08 5.94 -4.70 -2.67 4.77 -1.26 -4.02 117.00 118.14 1al2 n LEU 57 Ca 0.30 -2.96 -0.33 0.00 -0.03 0.00 0.00 56.01 53.00 1al2 n LEU 57 Cb 0.38 -1.11 0.13 0.00 -2.33 0.00 0.00 43.42 40.48 1al2 n LEU 57 CO 0.63 1.18 0.74 -0.94 -1.33 0.00 0.00 177.39 177.67 1al2 s SER 58 N 1.05 3.63 0.37 -1.43 1.04 -1.26 -4.51 113.70 112.59 1al2 s SER 58 Ca 0.21 2.24 0.14 0.00 0.48 0.00 0.00 55.95 59.02 1al2 s SER 58 Cb 0.15 -2.57 0.98 0.00 0.10 0.00 0.00 66.02 64.68 1al2 s SER 58 CO -0.01 -2.64 1.79 0.00 0.98 0.00 0.00 173.24 173.36 1al2 h ALA 59 N -1.09 2.04 0.00 5.32 0.00 -1.95 0.19 119.26 123.76 1al2 h ALA 59 Ca -0.45 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 1al2 h ALA 59 Cb 1.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1al2 h ALA 59 CO 0.46 -0.42 -1.43 1.79 0.00 0.00 0.00 179.25 179.65 1al2 h THR 60 N 0.51 0.72 0.00 0.00 1.35 -1.96 -3.38 112.91 110.16 1al2 h THR 60 Ca 0.57 -2.35 -0.14 0.00 -0.55 0.00 0.00 66.41 63.93 1al2 h THR 60 Cb 1.25 2.25 -0.02 0.00 -1.73 0.00 0.00 68.15 69.89 1al2 h THR 60 CO -0.31 0.41 -1.21 0.11 -0.25 0.00 0.00 175.52 174.28 1al2 h LYS 61 N 0.00 0.00 -7.10 4.72 1.57 -1.54 -3.47 116.57 110.75 1al2 h LYS 61 Ca -0.19 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.03 1al2 h LYS 61 Cb 1.74 0.00 0.16 0.00 0.08 0.00 0.00 32.23 34.21 1al2 h LYS 61 CO 0.06 0.30 0.53 -1.59 -0.57 0.00 0.00 179.45 178.19 1al2 s LYS 62 N -2.97 2.60 -1.38 3.15 -2.85 0.57 -2.68 119.74 116.18 1al2 s LYS 62 Ca -0.01 2.09 -0.05 0.00 -1.00 0.00 0.00 55.97 57.00 1al2 s LYS 62 Cb 0.09 -1.89 0.03 0.00 -2.06 0.00 0.00 37.83 34.00 1al2 s LYS 62 CO 0.80 -1.57 0.37 0.09 0.10 0.00 0.00 175.35 175.14 1al2 n ASN 63 N -1.82 -4.80 -4.07 0.03 3.02 -1.26 -4.96 115.26 101.40 1al2 n ASN 63 Ca 0.15 -0.18 -0.10 0.00 -0.03 0.00 0.00 54.58 54.42 1al2 n ASN 63 Cb 0.48 -3.96 -0.09 0.00 -0.61 0.00 0.00 39.78 35.60 1al2 n ASN 63 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1al2 s THR 64 N -2.96 0.09 0.50 3.41 -4.23 -1.09 -5.04 115.64 106.32 1al2 s THR 64 Ca 0.24 -1.69 0.23 0.00 -1.18 0.00 0.00 61.69 59.29 1al2 s THR 64 Cb -0.12 -1.94 0.40 0.00 1.34 0.00 0.00 72.50 72.19 1al2 s THR 64 CO 0.29 -0.41 1.95 0.24 -0.54 0.00 0.00 174.62 176.15 1al2 h MET 65 N 2.74 0.13 -0.14 3.99 2.86 -1.93 -2.53 114.93 120.03 1al2 h MET 65 Ca -0.34 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.34 1al2 h MET 65 Cb 1.21 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1al2 h MET 65 CO 0.55 0.08 0.12 0.93 1.06 0.00 0.00 176.91 179.65 1al2 h GLU 66 N 0.13 0.00 0.00 1.72 4.39 -1.97 -2.64 114.58 116.21 1al2 h GLU 66 Ca 0.32 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 1al2 h GLU 66 Cb 1.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1al2 h GLU 66 CO -0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.80 1al2 h MET 67 N 0.00 0.00 0.00 2.33 -0.00 -1.39 -1.26 114.93 114.61 1al2 h MET 67 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 1al2 h MET 67 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1al2 h MET 67 CO -0.00 0.01 -0.27 0.66 -0.00 0.00 0.00 176.91 177.31 1al2 n TYR 68 N -3.44 0.20 -3.37 -0.10 4.01 -0.99 -1.22 117.16 112.24 1al2 n TYR 68 Ca -0.03 0.06 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 1al2 n TYR 68 Cb 0.09 -0.49 -0.09 0.00 -0.31 0.00 0.00 39.34 38.54 1al2 n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1al2 s ARG 69 N -3.04 3.34 -0.38 -0.72 0.52 -0.48 -4.58 118.95 113.61 1al2 s ARG 69 Ca 0.11 -0.60 -0.19 0.00 -0.52 0.00 0.00 55.73 54.53 1al2 s ARG 69 Cb 0.17 -3.88 0.01 0.00 0.52 0.00 0.00 34.95 31.76 1al2 s ARG 69 CO 0.63 -0.67 0.58 0.08 0.02 0.00 0.00 175.30 175.94 1al2 s VAL 70 N 2.04 4.94 -0.11 3.52 1.01 -0.55 -4.78 120.40 126.46 1al2 s VAL 70 Ca 0.11 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1al2 s VAL 70 Cb -0.17 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1al2 s VAL 70 CO 0.12 -0.34 1.04 -0.60 0.00 0.00 0.00 175.10 175.32 1al2 s ARG 71 N 2.57 4.39 0.27 2.72 3.52 -1.26 -0.99 118.95 130.17 1al2 s ARG 71 Ca 0.21 1.43 0.08 0.00 -0.13 0.00 0.00 55.73 57.32 1al2 s ARG 71 Cb -0.15 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1al2 s ARG 71 CO 0.15 -0.38 0.10 -0.51 -0.81 0.00 0.00 175.30 173.85 1al2 s LEU 72 N 2.20 3.46 0.21 -0.88 1.43 0.96 -4.99 118.68 121.07 1al2 s LEU 72 Ca 0.49 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 53.01 1al2 s LEU 72 Cb -0.19 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1al2 s LEU 72 CO 0.17 -0.05 0.33 -0.94 0.23 0.00 0.00 176.35 176.09 1al2 s SER 73 N -3.77 0.01 -0.02 2.29 1.04 -1.26 -1.30 113.70 110.70 1al2 s SER 73 Ca 0.33 -1.00 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1al2 s SER 73 Cb -0.07 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1al2 s SER 73 CO 0.22 -0.98 0.66 -0.90 0.98 0.00 0.00 173.24 173.22 1al2 n ASP 74 N -0.29 1.26 -4.53 7.02 5.75 -0.05 -4.27 116.55 121.45 1al2 n ASP 74 Ca -0.03 -2.07 -0.36 0.00 -0.01 0.00 0.00 54.79 52.33 1al2 n ASP 74 Cb 0.63 -0.46 0.08 0.00 -1.03 0.00 0.00 41.12 40.35 1al2 n ASP 74 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1al2 n LYS 75 N 0.01 0.32 -1.55 0.11 2.85 -1.26 -4.72 118.16 113.91 1al2 n LYS 75 Ca 0.02 0.16 -0.38 0.00 -1.05 0.00 0.00 58.31 57.06 1al2 n LYS 75 Cb 0.29 -2.00 0.04 0.00 -0.65 0.00 0.00 35.03 32.72 1al2 n LYS 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1al2 n PRO 76 N -1.34 0.77 -1.60 -1.58 -0.02 -1.26 -4.62 135.00 125.35 1al2 n PRO 76 Ca 0.11 0.30 -0.50 0.00 -2.02 0.00 0.00 63.50 61.39 1al2 n PRO 76 Cb 0.50 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 1al2 n PRO 76 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1al2 n HIS 77 N -1.59 1.62 -4.32 6.00 -0.00 -1.26 -5.01 115.22 110.65 1al2 n HIS 77 Ca 0.12 0.58 -0.19 0.00 -0.00 0.00 0.00 57.72 58.23 1al2 n HIS 77 Cb 0.46 -2.36 -0.11 0.00 -0.00 0.00 0.00 29.99 27.99 1al2 n HIS 77 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1al2 s THR 78 N 0.36 1.69 -1.02 3.57 -1.32 -1.26 -5.03 115.64 112.63 1al2 s THR 78 Ca 0.80 -2.03 0.16 0.00 -1.21 0.00 0.00 61.69 59.40 1al2 s THR 78 Cb -0.87 -1.89 0.67 0.00 -1.51 0.00 0.00 72.50 68.90 1al2 s THR 78 CO 0.47 -0.48 1.56 0.47 -2.21 0.00 0.00 174.62 174.44 1al2 n ASP 79 N -0.01 4.55 -4.84 8.08 8.00 -1.26 -4.50 116.55 126.57 1al2 n ASP 79 Ca -0.11 -2.49 -0.35 0.00 0.71 0.00 0.00 54.79 52.55 1al2 n ASP 79 Cb 0.59 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1al2 n ASP 79 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1al2 s ASP 80 N -0.82 6.82 0.35 -2.24 1.01 -1.26 -1.85 116.67 118.68 1al2 s ASP 80 Ca 0.47 1.10 -0.28 0.00 0.71 0.00 0.00 52.55 54.55 1al2 s ASP 80 Cb 0.31 -2.30 -0.10 0.00 1.01 0.00 0.00 42.92 41.85 1al2 s ASP 80 CO 0.21 0.07 1.29 -2.16 0.21 0.00 0.00 175.17 174.79 1al2 s PRO 81 N -2.07 4.28 0.05 8.23 0.04 -1.26 -4.58 135.00 139.68 1al2 s PRO 81 Ca 0.40 2.17 -0.17 0.00 0.04 0.00 0.00 61.00 63.43 1al2 s PRO 81 Cb -0.15 -3.00 -0.19 0.00 0.04 0.00 0.00 34.50 31.21 1al2 s PRO 81 CO 0.19 -0.23 1.22 0.82 0.04 0.00 0.00 177.00 179.04 1al2 h ILE 82 N 2.90 1.36 -3.47 0.56 2.04 -0.78 -3.48 117.51 116.63 1al2 h ILE 82 Ca -0.49 -1.92 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 1al2 h ILE 82 Cb 1.23 2.24 -0.15 0.00 -0.74 0.00 0.00 36.82 39.40 1al2 h ILE 82 CO 0.65 0.58 -0.22 -1.48 0.00 0.00 0.00 178.15 177.67 1al2 s LEU 83 N -8.49 0.87 -0.01 1.44 0.05 -1.22 -4.99 118.68 106.33 1al2 s LEU 83 Ca -0.12 -0.36 0.01 0.00 0.05 0.00 0.00 54.13 53.71 1al2 s LEU 83 Cb 0.06 1.42 0.01 0.00 -2.05 0.00 0.00 46.19 45.63 1al2 s LEU 83 CO 0.85 -0.72 -0.03 0.00 -0.55 0.00 0.00 176.35 175.89 1al2 s LEU 85 N 0.31 0.69 0.06 0.00 0.20 0.64 -5.00 118.68 115.58 1al2 s LEU 85 Ca -0.03 0.54 -0.27 0.00 0.69 0.00 0.00 54.13 55.05 1al2 s LEU 85 Cb -0.06 0.83 -0.05 0.00 -0.43 0.00 0.00 46.19 46.48 1al2 s LEU 85 CO -0.01 -0.13 0.85 -0.44 -0.29 0.00 0.00 176.35 176.34 1al2 s SER 86 N 0.71 7.32 -1.27 3.68 0.01 -1.26 -0.63 113.70 122.25 1al2 s SER 86 Ca -0.05 1.59 -0.18 0.00 1.31 0.00 0.00 55.95 58.61 1al2 s SER 86 Cb -0.06 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1al2 s SER 86 CO -0.04 -0.04 1.88 -0.11 0.41 0.00 0.00 173.24 175.33 1al2 n LEU 87 N 2.91 4.86 -3.36 2.44 7.94 0.04 -4.66 117.00 127.18 1al2 n LEU 87 Ca 0.00 -3.75 -0.26 0.00 -1.11 0.00 0.00 56.01 50.90 1al2 n LEU 87 Cb 0.50 -1.69 -0.09 0.00 0.53 0.00 0.00 43.42 42.67 1al2 n LEU 87 CO 0.49 -0.10 -0.22 -1.20 -1.11 0.00 0.00 177.39 175.24 1al2 n SER 88 N 9.11 0.78 0.26 1.96 7.64 -1.26 -3.19 113.62 128.92 1al2 n SER 88 Ca 0.49 -2.76 0.10 0.00 1.01 0.00 0.00 58.87 57.71 1al2 n SER 88 Cb 0.45 -0.63 0.69 0.00 -1.01 0.00 0.00 64.21 63.70 1al2 n SER 88 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1al2 h PRO 89 N 4.66 0.00 0.00 1.43 0.13 -1.92 0.74 132.00 137.04 1al2 h PRO 89 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1al2 h PRO 89 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1al2 h PRO 89 CO 0.51 0.10 -1.17 0.00 -0.23 0.00 0.00 178.00 177.21 1al2 n ALA 90 N -2.40 2.76 -0.00 -0.56 0.00 -1.26 -3.06 120.51 115.99 1al2 n ALA 90 Ca -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 1al2 n ALA 90 Cb 0.18 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1al2 n ALA 90 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1al2 n SER 91 N -2.43 4.70 -4.69 0.00 3.41 -0.32 -4.51 113.62 109.77 1al2 n SER 91 Ca -0.00 -0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 1al2 n SER 91 Cb 0.53 0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.80 1al2 n SER 91 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1al2 n ASP 92 N -2.15 3.56 0.29 4.04 -0.08 0.10 -4.76 116.55 117.56 1al2 n ASP 92 Ca -0.00 1.07 0.14 0.00 -1.51 0.00 0.00 54.79 54.49 1al2 n ASP 92 Cb 0.50 -1.50 0.86 0.00 2.34 0.00 0.00 41.12 43.32 1al2 n ASP 92 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1al2 h PRO 93 N 6.44 0.00 0.00 -0.67 0.13 -1.94 0.69 132.00 136.65 1al2 h PRO 93 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1al2 h PRO 93 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1al2 h PRO 93 CO 0.92 0.03 -0.49 0.00 -0.23 0.00 0.00 178.00 178.24 1al2 h ARG 94 N 0.00 0.00 0.00 0.86 3.08 -1.88 -3.37 114.38 113.07 1al2 h ARG 94 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1al2 h ARG 94 Cb 0.08 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1al2 h ARG 94 CO 0.00 0.49 -2.28 1.28 -1.07 0.00 0.00 179.97 178.39 1al2 n LEU 95 N -3.33 0.93 0.28 3.04 4.77 -0.07 -3.90 117.00 118.73 1al2 n LEU 95 Ca 0.01 -0.04 0.18 0.00 -0.03 0.00 0.00 56.01 56.13 1al2 n LEU 95 Cb 0.67 0.05 0.93 0.00 -2.33 0.00 0.00 43.42 42.75 1al2 n LEU 95 CO 0.39 0.59 1.15 0.77 -1.33 0.00 0.00 177.39 178.97 1al2 h SER 96 N 0.00 0.00 -0.15 -1.43 4.64 -0.88 -1.47 113.55 114.26 1al2 h SER 96 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1al2 h SER 96 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 1al2 h SER 96 CO -0.01 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.36 1al2 n HIS 97 N -3.29 0.18 -1.11 4.77 8.25 -1.26 -2.74 115.22 120.02 1al2 n HIS 97 Ca -0.01 -0.12 -0.29 0.00 -0.26 0.00 0.00 57.72 57.05 1al2 n HIS 97 Cb 0.28 -0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.56 1al2 n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1al2 s THR 98 N -1.42 2.33 0.23 1.59 -4.23 -0.55 -4.69 115.64 108.90 1al2 s THR 98 Ca 0.26 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.80 1al2 s THR 98 Cb 0.17 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.68 1al2 s THR 98 CO 0.24 -0.14 1.90 -0.03 -0.54 0.00 0.00 174.62 176.05 1al2 h MET 99 N -1.81 1.13 -0.04 3.99 1.85 -1.92 0.61 114.93 118.74 1al2 h MET 99 Ca -0.53 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 58.52 1al2 h MET 99 Cb 1.31 -0.26 -0.03 0.00 0.43 0.00 0.00 31.60 33.05 1al2 h MET 99 CO 0.55 0.75 -0.13 1.25 -0.40 0.00 0.00 176.91 178.93 1al2 h LEU 100 N 1.17 -0.37 -0.21 3.39 5.85 -1.86 -1.64 115.31 121.64 1al2 h LEU 100 Ca 0.34 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.16 1al2 h LEU 100 Cb -0.07 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1al2 h LEU 100 CO -0.09 -0.17 -0.01 1.23 -0.34 0.00 0.00 178.44 179.06 1al2 h GLY 101 N -0.19 0.19 0.46 3.75 0.00 -1.54 -0.92 103.07 104.81 1al2 h GLY 101 Ca 0.06 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.50 1al2 h GLY 101 CO -0.16 -0.04 0.25 0.83 0.00 0.00 0.00 176.54 177.42 1al2 h GLU 102 N 0.06 0.44 -0.40 4.80 4.39 -0.70 -1.21 114.58 121.97 1al2 h GLU 102 Ca 0.10 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 1al2 h GLU 102 Cb 0.12 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1al2 h GLU 102 CO -0.17 0.29 -0.22 0.82 -1.16 0.00 0.00 179.01 178.58 1al2 h ILE 103 N 0.46 1.28 -0.23 3.13 2.04 -0.87 -2.58 117.51 120.74 1al2 h ILE 103 Ca 0.30 -1.36 0.07 0.00 1.00 0.00 0.00 64.86 64.86 1al2 h ILE 103 Cb 0.34 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1al2 h ILE 103 CO -0.28 0.46 0.17 -0.07 0.00 0.00 0.00 178.15 178.43 1al2 h LEU 104 N 0.65 0.00 0.00 1.44 4.07 -0.83 -1.00 115.31 119.64 1al2 h LEU 104 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1al2 h LEU 104 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1al2 h LEU 104 CO 0.06 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 178.01 1al2 n ASN 105 N -4.45 0.00 -1.08 -0.43 3.02 -0.49 -1.40 115.26 110.43 1al2 n ASN 105 Ca 0.02 -0.36 0.12 0.00 -0.03 0.00 0.00 54.58 54.33 1al2 n ASN 105 Cb 0.31 -0.14 0.25 0.00 -0.61 0.00 0.00 39.78 39.60 1al2 n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1al2 n TYR 106 N -1.14 0.51 -4.20 3.10 4.01 -0.38 -3.43 117.16 115.64 1al2 n TYR 106 Ca 0.13 -0.26 -0.15 0.00 -0.16 0.00 0.00 57.90 57.46 1al2 n TYR 106 Cb 0.12 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.04 1al2 n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1al2 s TYR 107 N -1.49 1.16 -0.05 -0.72 2.02 -0.49 0.13 117.35 117.90 1al2 s TYR 107 Ca 0.39 -0.64 0.13 0.00 -0.37 0.00 0.00 57.07 56.58 1al2 s TYR 107 Cb 0.22 -0.62 -0.19 0.00 -0.40 0.00 0.00 41.96 40.97 1al2 s TYR 107 CO 0.31 0.04 0.80 1.15 -1.57 0.00 0.00 175.55 176.28 1al2 h THR 108 N 3.48 0.83 -4.04 -0.71 2.02 -0.27 -3.43 112.91 110.80 1al2 h THR 108 Ca -0.38 -2.55 -0.54 0.00 0.77 0.00 0.00 66.41 63.71 1al2 h THR 108 Cb 1.19 2.35 -0.31 0.00 -1.74 0.00 0.00 68.15 69.64 1al2 h THR 108 CO 0.53 0.47 -0.83 -1.00 0.37 0.00 0.00 175.52 175.06 1al2 s HIS 109 N -2.72 1.59 0.13 3.16 3.76 -0.68 -1.43 115.29 119.11 1al2 s HIS 109 Ca -0.03 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.54 1al2 s HIS 109 Cb 0.08 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 1al2 s HIS 109 CO 0.82 -0.11 -0.15 1.67 -0.85 0.00 0.00 174.74 176.12 1al2 s TRP 110 N -0.10 1.47 0.08 1.40 1.48 -0.04 -1.45 118.94 121.77 1al2 s TRP 110 Ca -0.00 -0.55 -0.18 0.00 -1.06 0.00 0.00 56.10 54.31 1al2 s TRP 110 Cb -0.10 -0.76 0.04 0.00 -1.16 0.00 0.00 33.47 31.49 1al2 s TRP 110 CO 0.01 0.18 0.42 0.00 -4.06 0.00 0.00 176.95 173.50 1al2 s ALA 111 N -2.21 -1.02 0.00 2.67 0.00 -0.27 -0.16 121.76 120.78 1al2 s ALA 111 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1al2 s ALA 111 Cb -0.05 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1al2 s ALA 111 CO 0.04 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1al2 n GLY 112 N 0.20 1.89 3.83 0.00 0.00 -1.26 -0.76 105.19 109.09 1al2 n GLY 112 Ca -0.17 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.35 1al2 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1al2 s SER 113 N 0.00 6.93 0.30 1.61 0.01 -1.26 -4.18 113.70 117.11 1al2 s SER 113 Ca 0.00 1.52 0.07 0.00 1.31 0.00 0.00 55.95 58.85 1al2 s SER 113 Cb 0.00 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 1al2 s SER 113 CO 0.00 -0.23 -0.06 -0.76 0.41 0.00 0.00 173.24 172.60 1al2 s LEU 114 N -2.87 2.52 -0.06 2.44 1.43 -0.45 -0.93 118.68 120.75 1al2 s LEU 114 Ca 0.56 -1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 1al2 s LEU 114 Cb -0.11 -0.69 0.02 0.00 0.03 0.00 0.00 46.19 45.44 1al2 s LEU 114 CO 0.17 -0.33 0.16 -1.59 0.23 0.00 0.00 176.35 174.98 1al2 s LYS 115 N -3.71 0.16 -0.24 1.70 -2.85 -0.03 0.36 119.74 115.14 1al2 s LYS 115 Ca 0.30 0.28 -0.07 0.00 -1.00 0.00 0.00 55.97 55.49 1al2 s LYS 115 Cb 0.04 0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.79 1al2 s LYS 115 CO 0.13 -0.07 0.05 -0.06 0.10 0.00 0.00 175.35 175.50 1al2 s PHE 116 N 0.43 3.07 -0.16 1.78 0.40 -0.34 -1.79 117.98 121.37 1al2 s PHE 116 Ca -0.03 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.80 1al2 s PHE 116 Cb -0.04 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 1al2 s PHE 116 CO -0.02 -0.36 -0.10 0.99 0.70 0.00 0.00 175.22 176.43 1al2 s THR 117 N 1.49 3.21 -0.12 0.64 2.01 -0.13 -0.44 115.64 122.29 1al2 s THR 117 Ca 0.06 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1al2 s THR 117 Cb -0.15 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1al2 s THR 117 CO 0.02 0.50 0.04 -0.36 -0.69 0.00 0.00 174.62 174.13 1al2 s PHE 118 N 0.65 3.27 -0.25 4.92 0.08 0.11 -0.26 117.98 126.50 1al2 s PHE 118 Ca -0.05 0.20 -0.07 0.00 0.12 0.00 0.00 56.93 57.13 1al2 s PHE 118 Cb -0.15 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1al2 s PHE 118 CO 0.02 0.40 0.05 -1.17 -0.10 0.00 0.00 175.22 174.43 1al2 s LEU 119 N -0.48 3.37 -0.29 -0.37 2.96 0.96 -1.41 118.68 123.41 1al2 s LEU 119 Ca 0.10 -0.30 -0.28 0.00 -0.22 0.00 0.00 54.13 53.43 1al2 s LEU 119 Cb -0.12 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1al2 s LEU 119 CO 0.02 -0.05 1.02 0.12 -1.32 0.00 0.00 176.35 176.14 1al2 s PHE 120 N 1.58 3.22 -0.25 5.38 5.36 -0.88 -1.23 117.98 131.16 1al2 s PHE 120 Ca 0.06 1.24 0.13 0.00 -0.96 0.00 0.00 56.93 57.40 1al2 s PHE 120 Cb -0.15 -3.48 0.61 0.00 -0.34 0.00 0.00 43.02 39.65 1al2 s PHE 120 CO 0.02 -0.64 1.56 0.00 -1.46 0.00 0.00 175.22 174.70 1al2 n GLY 122 N -0.45 -1.45 3.91 0.00 0.00 -1.25 -4.57 105.19 101.37 1al2 n GLY 122 Ca 0.30 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 1al2 n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1al2 s SER 123 N -1.14 5.33 0.37 1.61 1.04 -1.26 -4.96 113.70 114.68 1al2 s SER 123 Ca 0.00 0.77 0.06 0.00 0.48 0.00 0.00 55.95 57.26 1al2 s SER 123 Cb 0.00 -1.61 0.76 0.00 0.10 0.00 0.00 66.02 65.27 1al2 s SER 123 CO 0.00 -1.30 1.97 -0.03 0.98 0.00 0.00 173.24 174.86 1al2 h MET 124 N -0.44 0.70 0.00 4.02 4.05 -2.00 -1.82 114.93 119.45 1al2 h MET 124 Ca -0.45 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1al2 h MET 124 Cb 1.27 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1al2 h MET 124 CO 0.62 0.46 0.00 0.52 0.23 0.00 0.00 176.91 178.74 1al2 h MET 125 N 0.72 0.00 -6.40 0.39 2.86 -1.97 -3.43 114.93 107.11 1al2 h MET 125 Ca 0.30 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.40 1al2 h MET 125 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1al2 h MET 125 CO -0.10 0.00 0.48 0.00 1.06 0.00 0.00 176.91 178.35 1al2 s ALA 126 N -3.68 3.28 0.40 6.32 0.00 -0.69 -4.44 121.76 122.96 1al2 s ALA 126 Ca 0.00 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1al2 s ALA 126 Cb 0.10 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 1al2 s ALA 126 CO 0.45 -0.38 0.11 0.95 0.00 0.00 0.00 175.76 176.89 1al2 s THR 127 N 1.26 2.25 0.00 0.00 -4.23 -0.17 -4.88 115.64 109.87 1al2 s THR 127 Ca 0.54 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1al2 s THR 127 Cb -0.23 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1al2 s THR 127 CO 0.26 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1al2 n GLY 128 N -1.13 2.44 3.23 3.99 0.00 -1.26 -1.48 105.19 110.99 1al2 n GLY 128 Ca -0.03 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1al2 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1al2 s LYS 129 N -2.00 3.15 0.20 1.61 1.02 -1.26 -0.61 119.74 121.84 1al2 s LYS 129 Ca 0.00 -0.79 0.09 0.00 0.02 0.00 0.00 55.97 55.29 1al2 s LYS 129 Cb 0.00 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1al2 s LYS 129 CO 0.00 0.00 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.85 1al2 s LEU 130 N 0.82 3.03 -0.27 3.17 1.43 -0.18 -0.35 118.68 126.33 1al2 s LEU 130 Ca -0.06 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.39 1al2 s LEU 130 Cb -0.15 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1al2 s LEU 130 CO -0.01 0.08 0.03 -0.22 0.23 0.00 0.00 176.35 176.46 1al2 s LEU 131 N -3.04 3.51 -0.22 1.79 0.20 0.39 -0.19 118.68 121.11 1al2 s LEU 131 Ca 0.27 -0.61 -0.10 0.00 0.69 0.00 0.00 54.13 54.38 1al2 s LEU 131 Cb -0.08 -1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 43.81 1al2 s LEU 131 CO 0.16 -0.13 0.13 -0.69 -0.29 0.00 0.00 176.35 175.53 1al2 s VAL 132 N 1.48 5.18 0.04 1.68 1.01 0.01 -0.63 120.40 129.17 1al2 s VAL 132 Ca 0.03 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.20 1al2 s VAL 132 Cb -0.16 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1al2 s VAL 132 CO 0.00 0.39 -0.22 -0.55 0.00 0.00 0.00 175.10 174.72 1al2 s SER 133 N 0.79 2.62 -0.17 3.32 0.15 0.56 -0.88 113.70 120.09 1al2 s SER 133 Ca 0.07 -0.52 -0.00 0.00 0.70 0.00 0.00 55.95 56.19 1al2 s SER 133 Cb -0.13 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 63.99 1al2 s SER 133 CO 0.02 0.19 -0.06 -0.47 1.20 0.00 0.00 173.24 174.12 1al2 s TYR 134 N -0.77 1.81 -0.41 3.44 5.04 0.81 -1.18 117.35 126.09 1al2 s TYR 134 Ca 0.08 -1.17 -0.11 0.00 -2.44 0.00 0.00 57.07 53.43 1al2 s TYR 134 Cb -0.09 -1.36 0.05 0.00 0.35 0.00 0.00 41.96 40.91 1al2 s TYR 134 CO 0.02 -0.64 0.26 0.00 -1.34 0.00 0.00 175.55 173.84 1al2 s ALA 135 N 1.60 3.33 0.76 3.97 0.00 -0.05 -0.84 121.76 130.54 1al2 s ALA 135 Ca 0.00 -1.91 -0.15 0.00 0.00 0.00 0.00 51.96 49.90 1al2 s ALA 135 Cb -0.16 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1al2 s ALA 135 CO -0.08 -1.53 0.58 -2.30 0.00 0.00 0.00 175.76 172.43 1al2 n PRO 136 N 5.01 0.22 -1.24 0.00 -0.02 -1.26 -0.63 135.00 137.08 1al2 n PRO 136 Ca -0.11 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1al2 n PRO 136 Cb 0.45 -1.90 0.20 0.00 -0.02 0.00 0.00 33.50 32.23 1al2 n PRO 136 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1al2 s PRO 137 N -3.02 -0.16 0.00 0.52 0.04 -1.26 -4.60 135.00 126.51 1al2 s PRO 137 Ca 0.65 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1al2 s PRO 137 Cb -0.32 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1al2 s PRO 137 CO 0.59 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.98 1al2 n GLY 138 N -1.39 2.59 2.61 0.56 0.00 -1.26 -4.99 105.19 103.32 1al2 n GLY 138 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1al2 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al2 n ALA 139 N -0.64 0.34 -1.73 4.61 0.00 -1.26 -5.08 120.51 116.74 1al2 n ALA 139 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 53.44 51.39 1al2 n ALA 139 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 19.45 20.29 1al2 n ALA 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1al2 s ASP 140 N -3.02 6.46 0.14 0.00 1.01 -1.26 -4.94 116.67 115.06 1al2 s ASP 140 Ca 0.02 2.68 -0.35 0.00 0.71 0.00 0.00 52.55 55.61 1al2 s ASP 140 Cb -0.00 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.23 1al2 s ASP 140 CO 0.01 -1.01 1.50 -2.65 0.21 0.00 0.00 175.17 173.23 1al2 n PRO 141 N 6.49 1.85 -1.98 8.23 -0.02 -1.26 -4.85 135.00 143.46 1al2 n PRO 141 Ca 0.18 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1al2 n PRO 141 Cb 0.40 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1al2 n PRO 141 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1al2 s PRO 142 N 0.71 4.20 0.00 0.52 0.02 -1.26 -4.85 135.00 134.35 1al2 s PRO 142 Ca 0.80 2.26 0.06 0.00 0.02 0.00 0.00 61.00 64.14 1al2 s PRO 142 Cb -0.76 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.07 1al2 s PRO 142 CO 0.41 -0.74 0.50 1.63 -0.33 0.00 0.00 177.00 178.47 1al2 n LYS 143 N 5.95 2.21 -4.16 5.54 4.76 -1.26 -4.95 118.16 126.25 1al2 n LYS 143 Ca 0.16 -0.50 -0.15 0.00 -2.87 0.00 0.00 58.31 54.95 1al2 n LYS 143 Cb 0.41 -0.97 -0.13 0.00 -1.84 0.00 0.00 35.03 32.50 1al2 n LYS 143 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1al2 s LYS 144 N -1.00 0.53 0.32 1.97 -0.14 -1.26 -4.21 119.74 115.95 1al2 s LYS 144 Ca 0.05 -0.44 0.10 0.00 -1.36 0.00 0.00 55.97 54.33 1al2 s LYS 144 Cb 0.05 -0.44 0.93 0.00 -1.68 0.00 0.00 37.83 36.69 1al2 s LYS 144 CO 0.15 0.11 1.70 -0.09 -0.76 0.00 0.00 175.35 176.46 1al2 h ARG 145 N 5.41 0.43 -0.87 1.68 2.43 -1.75 -0.91 114.38 120.81 1al2 h ARG 145 Ca -0.32 -0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.05 1al2 h ARG 145 Cb 1.19 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.51 1al2 h ARG 145 CO 0.46 0.29 0.28 -0.22 -1.51 0.00 0.00 179.97 179.27 1al2 h LYS 146 N 0.45 0.27 0.11 0.20 3.64 -1.97 0.15 116.57 119.42 1al2 h LYS 146 Ca 0.66 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.88 1al2 h LYS 146 Cb 1.36 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1al2 h LYS 146 CO -0.54 0.18 -0.63 0.93 -2.27 0.00 0.00 179.45 177.11 1al2 h GLU 147 N 0.28 0.24 -0.87 1.90 3.07 -1.60 -3.36 114.58 114.23 1al2 h GLU 147 Ca 0.54 -0.40 0.04 0.00 -0.50 0.00 0.00 59.36 59.04 1al2 h GLU 147 Cb 1.05 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 29.06 1al2 h GLU 147 CO -0.60 1.19 0.57 0.00 -1.40 0.00 0.00 179.01 178.78 1al2 h ALA 148 N 0.07 1.47 -1.01 3.43 0.00 -1.05 -1.83 119.26 120.34 1al2 h ALA 148 Ca -0.11 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 54.99 1al2 h ALA 148 Cb 1.50 -0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1al2 h ALA 148 CO 0.12 0.44 0.62 1.98 0.00 0.00 0.00 179.25 182.41 1al2 h MET 149 N 1.07 0.55 0.00 0.00 1.85 -0.86 -2.31 114.93 115.23 1al2 h MET 149 Ca 0.35 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.41 1al2 h MET 149 Cb 0.06 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 31.96 1al2 h MET 149 CO -0.11 0.37 0.00 1.28 -0.40 0.00 0.00 176.91 178.05 1al2 n LEU 150 N -4.74 0.69 0.00 3.39 4.77 -0.69 -4.79 117.00 115.63 1al2 n LEU 150 Ca 0.25 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 1al2 n LEU 150 Cb 0.73 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1al2 n LEU 150 CO 0.22 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 1al2 n GLY 151 N 0.07 1.85 3.70 -0.72 0.00 -0.87 -5.05 105.19 104.18 1al2 n GLY 151 Ca 0.02 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1al2 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1al2 s THR 152 N 1.19 3.04 0.14 2.61 2.01 -0.02 -4.86 115.64 119.76 1al2 s THR 152 Ca 0.00 0.61 -0.18 0.00 0.31 0.00 0.00 61.69 62.43 1al2 s THR 152 Cb 0.00 -3.39 0.04 0.00 0.01 0.00 0.00 72.50 69.16 1al2 s THR 152 CO 0.00 0.02 0.47 -1.38 -0.69 0.00 0.00 174.62 173.03 1al2 s HIS 153 N 1.98 -0.28 -0.10 4.92 -0.00 -1.26 -0.13 115.29 120.41 1al2 s HIS 153 Ca 0.70 -0.01 0.02 0.00 -0.00 0.00 0.00 55.06 55.78 1al2 s HIS 153 Cb -0.39 0.35 0.01 0.00 -0.00 0.00 0.00 32.58 32.55 1al2 s HIS 153 CO 0.31 -0.76 -0.16 0.08 -0.00 0.00 0.00 174.74 174.20 1al2 s VAL 154 N -3.80 1.52 -0.40 -5.38 1.01 -0.06 -4.99 120.40 108.30 1al2 s VAL 154 Ca 0.03 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 1al2 s VAL 154 Cb 0.01 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1al2 s VAL 154 CO -0.11 0.44 0.58 -0.63 0.00 0.00 0.00 175.10 175.38 1al2 s ILE 155 N 0.78 4.92 -0.37 2.22 1.01 -1.26 -0.81 121.20 127.69 1al2 s ILE 155 Ca -0.11 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 1al2 s ILE 155 Cb -0.16 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.22 1al2 s ILE 155 CO 0.02 -0.43 0.79 0.86 0.00 0.00 0.00 174.94 176.19 1al2 s TRP 156 N 2.60 3.11 -0.28 3.97 -0.00 0.73 -4.95 118.94 124.12 1al2 s TRP 156 Ca 0.21 0.56 -0.17 0.00 -0.00 0.00 0.00 56.10 56.69 1al2 s TRP 156 Cb -0.15 -3.42 -0.03 0.00 -0.00 0.00 0.00 33.47 29.87 1al2 s TRP 156 CO 0.16 -0.75 0.49 0.34 -0.00 0.00 0.00 176.95 177.20 1al2 s ASP 157 N 1.85 6.38 0.16 5.86 2.15 -1.26 -1.01 116.67 130.80 1al2 s ASP 157 Ca 0.32 0.40 -0.30 0.00 0.43 0.00 0.00 52.55 53.39 1al2 s ASP 157 Cb -0.13 -2.27 -0.08 0.00 -0.30 0.00 0.00 42.92 40.14 1al2 s ASP 157 CO 0.17 -0.30 1.24 -0.63 -0.17 0.00 0.00 175.17 175.48 1al2 s ILE 158 N 2.29 3.55 0.00 4.11 1.01 0.21 -4.95 121.20 127.43 1al2 s ILE 158 Ca 0.20 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.09 1al2 s ILE 158 Cb -0.16 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1al2 s ILE 158 CO 0.10 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1al2 n GLY 159 N 2.53 1.56 0.37 6.18 0.00 -1.26 -4.53 105.19 110.05 1al2 n GLY 159 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1al2 n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1al2 h LEU 160 N 0.00 1.12 -8.43 0.99 3.38 -1.98 -3.27 115.31 107.11 1al2 h LEU 160 Ca 0.00 -0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.40 1al2 h LEU 160 Cb 0.00 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.40 1al2 h LEU 160 CO 0.00 0.81 1.06 -1.10 0.09 0.00 0.00 178.44 179.30 1al2 s GLN 161 N -6.07 3.25 0.55 1.13 -1.52 -1.26 -4.85 119.66 110.89 1al2 s GLN 161 Ca -0.13 -0.04 0.23 0.00 -1.95 0.00 0.00 55.36 53.47 1al2 s GLN 161 Cb 0.18 -4.15 1.53 0.00 -0.22 0.00 0.00 33.01 30.35 1al2 s GLN 161 CO 0.81 -2.05 2.19 0.66 -0.25 0.00 0.00 175.29 176.66 1al2 h SER 162 N 10.18 0.00 -2.52 5.90 4.64 -1.95 -3.46 113.55 126.35 1al2 h SER 162 Ca -0.27 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.44 1al2 h SER 162 Cb 1.06 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.01 1al2 h SER 162 CO 1.25 0.02 -0.74 -0.44 -0.87 0.00 0.00 176.83 176.05 1al2 s SER 163 N -6.59 3.91 0.01 4.97 0.01 -1.26 -2.08 113.70 112.66 1al2 s SER 163 Ca -0.05 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1al2 s SER 163 Cb 0.16 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.88 1al2 s SER 163 CO 0.61 0.06 -0.01 0.00 0.41 0.00 0.00 173.24 174.30 1al2 s THR 165 N -0.63 2.83 -0.18 0.00 2.01 -1.26 -0.71 115.64 117.70 1al2 s THR 165 Ca -0.07 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 1al2 s THR 165 Cb -0.04 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1al2 s THR 165 CO -0.00 0.54 -0.03 -0.32 -0.69 0.00 0.00 174.62 174.12 1al2 s MET 166 N 0.17 3.60 -0.18 4.92 1.75 0.42 -4.98 119.30 124.99 1al2 s MET 166 Ca -0.09 -0.54 -0.19 0.00 -1.25 0.00 0.00 55.69 53.62 1al2 s MET 166 Cb -0.15 -2.97 -0.03 0.00 2.84 0.00 0.00 34.83 34.51 1al2 s MET 166 CO 0.05 0.10 0.52 0.08 -0.65 0.00 0.00 175.02 175.12 1al2 s VAL 167 N 0.75 5.11 -0.64 10.11 1.01 -1.26 -1.19 120.40 134.29 1al2 s VAL 167 Ca -0.01 0.98 -0.23 0.00 0.00 0.00 0.00 61.98 62.71 1al2 s VAL 167 Cb -0.14 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1al2 s VAL 167 CO 0.02 0.20 0.99 -0.69 0.00 0.00 0.00 175.10 175.62 1al2 s VAL 168 N 1.46 4.27 0.44 2.92 1.01 0.16 -4.99 120.40 125.66 1al2 s VAL 168 Ca 0.25 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 1al2 s VAL 168 Cb -0.15 -4.67 -0.08 0.00 0.00 0.00 0.00 36.38 31.47 1al2 s VAL 168 CO 0.10 -1.41 1.12 -2.16 0.00 0.00 0.00 175.10 172.74 1al2 s PRO 169 N 4.22 3.92 -0.37 2.72 0.04 -1.26 -1.34 135.00 142.93 1al2 s PRO 169 Ca 0.26 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 1al2 s PRO 169 Cb -0.15 -2.45 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1al2 s PRO 169 CO 0.13 -0.39 2.33 1.87 0.04 0.00 0.00 177.00 180.98 1al2 n TRP 170 N -0.34 1.67 -3.75 0.56 -0.00 -1.26 -4.86 117.44 109.46 1al2 n TRP 170 Ca 0.06 0.01 -0.30 0.00 -0.00 0.00 0.00 57.50 57.28 1al2 n TRP 170 Cb 0.49 -2.67 -0.15 0.00 -0.00 0.00 0.00 31.31 28.98 1al2 n TRP 170 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1al2 s ILE 171 N 10.23 1.08 0.03 5.87 1.01 -1.26 -4.97 121.20 133.18 1al2 s ILE 171 Ca 1.00 -1.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1al2 s ILE 171 Cb -0.29 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1al2 s ILE 171 CO 0.31 -0.72 0.06 -0.55 0.00 0.00 0.00 174.94 174.04 1al2 s SER 172 N 1.31 0.20 -0.06 3.58 0.15 -1.26 -4.93 113.70 112.69 1al2 s SER 172 Ca 0.11 -0.51 -0.24 0.00 0.70 0.00 0.00 55.95 56.01 1al2 s SER 172 Cb -0.19 0.19 -0.26 0.00 -1.71 0.00 0.00 66.02 64.05 1al2 s SER 172 CO -0.19 -0.44 0.97 -0.55 1.20 0.00 0.00 173.24 174.24 1al2 h ASN 173 N 3.99 0.28 -4.09 5.45 -1.07 -1.94 -3.46 115.58 114.75 1al2 h ASN 173 Ca -0.32 -0.85 -0.49 0.00 0.07 0.00 0.00 56.30 54.71 1al2 h ASN 173 Cb 1.19 -0.09 0.03 0.00 -2.07 0.00 0.00 38.32 37.38 1al2 h ASN 173 CO 0.48 1.10 0.31 0.42 0.07 0.00 0.00 177.43 179.81 1al2 s THR 174 N -2.85 4.68 0.04 6.14 -4.23 -1.26 -4.97 115.64 113.19 1al2 s THR 174 Ca -0.15 0.88 0.22 0.00 -1.18 0.00 0.00 61.69 61.46 1al2 s THR 174 Cb 0.01 -3.79 0.21 0.00 1.34 0.00 0.00 72.50 70.27 1al2 s THR 174 CO 0.76 -0.83 1.74 0.71 -0.54 0.00 0.00 174.62 176.46 1al2 h THR 175 N 0.46 0.57 -3.83 3.99 1.35 -1.97 -3.43 112.91 110.05 1al2 h THR 175 Ca -0.46 -1.32 -0.21 0.00 -0.55 0.00 0.00 66.41 63.87 1al2 h THR 175 Cb 1.19 1.91 -0.25 0.00 -1.73 0.00 0.00 68.15 69.26 1al2 h THR 175 CO 0.62 0.26 -0.71 -0.31 -0.25 0.00 0.00 175.52 175.12 1al2 s TYR 176 N -3.49 0.12 0.24 4.73 1.51 -1.26 -4.77 117.35 114.43 1al2 s TYR 176 Ca 0.02 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1al2 s TYR 176 Cb 0.09 -0.08 -0.03 0.00 -0.11 0.00 0.00 41.96 41.82 1al2 s TYR 176 CO 0.66 -0.07 0.39 1.03 -1.11 0.00 0.00 175.55 176.45 1al2 s ARG 177 N -0.55 3.46 0.39 -0.62 0.52 0.78 -4.88 118.95 118.05 1al2 s ARG 177 Ca -0.06 -0.58 -0.22 0.00 -0.52 0.00 0.00 55.73 54.35 1al2 s ARG 177 Cb -0.04 -2.85 -0.10 0.00 0.52 0.00 0.00 34.95 32.48 1al2 s ARG 177 CO -0.00 0.38 0.93 -0.65 0.02 0.00 0.00 175.30 175.98 1al2 s GLN 178 N -3.81 4.33 -0.08 3.54 -1.52 -1.26 -0.86 119.66 120.00 1al2 s GLN 178 Ca 0.36 1.16 0.02 0.00 -1.95 0.00 0.00 55.36 54.95 1al2 s GLN 178 Cb -0.10 -2.41 0.16 0.00 -0.22 0.00 0.00 33.01 30.45 1al2 s GLN 178 CO 0.30 0.09 1.00 0.25 -0.25 0.00 0.00 175.29 176.68 1al2 n THR 179 N -0.21 1.07 -4.29 -0.19 -2.24 -0.52 -4.80 114.28 103.10 1al2 n THR 179 Ca 0.05 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 1al2 n THR 179 Cb 0.53 -0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 1al2 n THR 179 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1al2 s ILE 180 N -1.03 0.96 -0.12 2.28 -4.36 -1.26 -4.21 121.20 113.45 1al2 s ILE 180 Ca 0.12 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.19 1al2 s ILE 180 Cb 0.10 -2.21 -0.07 0.00 1.25 0.00 0.00 42.46 41.53 1al2 s ILE 180 CO 0.03 -0.43 2.11 0.47 0.24 0.00 0.00 174.94 177.37 1al2 n ASP 181 N -0.34 3.58 -3.67 4.36 8.00 -1.26 -4.91 116.55 122.31 1al2 n ASP 181 Ca -0.06 0.51 -0.15 0.00 0.71 0.00 0.00 54.79 55.80 1al2 n ASP 181 Cb 0.63 -1.53 -0.15 0.00 -0.02 0.00 0.00 41.12 40.06 1al2 n ASP 181 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1al2 s ASP 182 N 6.62 0.54 0.28 -2.24 2.15 -1.26 -5.05 116.67 117.70 1al2 s ASP 182 Ca 0.96 0.42 -0.02 0.00 0.43 0.00 0.00 52.55 54.34 1al2 s ASP 182 Cb -0.41 0.40 0.43 0.00 -0.30 0.00 0.00 42.92 43.04 1al2 s ASP 182 CO 0.39 -0.23 1.90 0.28 -0.17 0.00 0.00 175.17 177.34 1al2 h SER 183 N 8.23 1.01 -0.57 -0.34 0.02 -1.98 -1.77 113.55 118.15 1al2 h SER 183 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1al2 h SER 183 Cb 1.12 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 1al2 h SER 183 CO 0.17 0.66 0.37 0.15 -1.14 0.00 0.00 176.83 177.03 1al2 h PHE 184 N 1.16 0.74 -0.55 3.45 3.57 -2.01 -2.93 116.94 120.37 1al2 h PHE 184 Ca 0.41 0.01 -0.35 0.00 3.53 0.00 0.00 57.97 61.57 1al2 h PHE 184 Cb 0.13 -0.25 -0.22 0.00 2.79 0.00 0.00 35.95 38.41 1al2 h PHE 184 CO -0.00 0.48 -0.13 0.25 -2.23 0.00 0.00 178.31 176.68 1al2 n THR 185 N -4.43 2.71 -2.16 4.41 -2.24 -0.95 -4.87 114.28 106.74 1al2 n THR 185 Ca 0.06 -3.16 -0.36 0.00 -2.27 0.00 0.00 64.05 58.32 1al2 n THR 185 Cb 0.06 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 67.65 1al2 n THR 185 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1al2 s GLU 186 N -3.43 3.44 -0.01 -0.78 -1.05 -0.71 -4.61 118.70 111.56 1al2 s GLU 186 Ca 0.49 1.79 0.20 0.00 -0.15 0.00 0.00 54.97 57.30 1al2 s GLU 186 Cb 0.42 -2.19 -0.25 0.00 -0.44 0.00 0.00 34.13 31.67 1al2 s GLU 186 CO 0.01 -0.82 0.72 0.41 0.95 0.00 0.00 175.26 176.53 1al2 n GLY 187 N 0.41 -0.90 0.00 -3.83 0.00 -1.19 -4.74 105.19 94.93 1al2 n GLY 187 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1al2 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1al2 n GLY 188 N 1.43 -1.06 2.98 -0.02 0.00 -1.26 -4.17 105.19 103.08 1al2 n GLY 188 Ca 0.01 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 1al2 n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1al2 s TYR 189 N 0.00 1.73 -0.15 1.61 2.02 0.20 -0.78 117.35 121.98 1al2 s TYR 189 Ca 0.00 -0.86 -0.10 0.00 -0.37 0.00 0.00 57.07 55.74 1al2 s TYR 189 Cb 0.00 -1.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.18 1al2 s TYR 189 CO 0.00 -0.51 0.20 0.42 -1.57 0.00 0.00 175.55 174.09 1al2 s ILE 190 N 1.36 5.38 0.05 2.71 1.09 0.19 -0.87 121.20 131.11 1al2 s ILE 190 Ca -0.00 0.34 -0.15 0.00 -1.10 0.00 0.00 60.65 59.74 1al2 s ILE 190 Cb -0.14 -3.51 0.02 0.00 -1.06 0.00 0.00 42.46 37.78 1al2 s ILE 190 CO -0.06 0.50 0.33 -0.94 -0.10 0.00 0.00 174.94 174.67 1al2 s SER 191 N -0.18 -0.15 -0.02 3.58 1.04 -0.33 -0.26 113.70 117.38 1al2 s SER 191 Ca 0.14 -0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.44 1al2 s SER 191 Cb -0.12 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 1al2 s SER 191 CO 0.03 -0.63 -0.15 -0.69 0.98 0.00 0.00 173.24 172.78 1al2 s VAL 192 N -2.60 1.19 0.16 5.02 1.01 -0.95 -0.32 120.40 123.91 1al2 s VAL 192 Ca -0.05 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1al2 s VAL 192 Cb -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1al2 s VAL 192 CO -0.04 0.34 -0.11 -0.36 0.00 0.00 0.00 175.10 174.94 1al2 s PHE 193 N -0.12 1.36 -0.17 5.22 0.40 0.20 0.01 117.98 124.87 1al2 s PHE 193 Ca 0.01 -0.71 -0.29 0.00 -0.60 0.00 0.00 56.93 55.34 1al2 s PHE 193 Cb -0.08 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 1al2 s PHE 193 CO 0.00 0.14 1.20 0.71 0.70 0.00 0.00 175.22 177.97 1al2 s TYR 194 N -3.20 3.01 -0.14 0.36 2.02 -1.26 -0.46 117.35 117.68 1al2 s TYR 194 Ca 0.17 1.15 -0.28 0.00 -0.37 0.00 0.00 57.07 57.74 1al2 s TYR 194 Cb 0.02 -3.43 -0.26 0.00 -0.40 0.00 0.00 41.96 37.89 1al2 s TYR 194 CO 0.02 -1.33 0.72 0.37 -1.57 0.00 0.00 175.55 173.76 1al2 h GLN 195 N 7.94 0.01 0.00 -0.62 5.75 -0.96 -3.44 115.11 123.79 1al2 h GLN 195 Ca -0.25 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1al2 h GLN 195 Cb 1.10 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1al2 h GLN 195 CO 0.96 1.01 0.00 0.25 -2.65 0.00 0.00 178.83 178.40 1al2 n THR 196 N -4.57 0.00 -3.64 2.39 -2.24 -0.99 -5.02 114.28 100.21 1al2 n THR 196 Ca -0.12 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1al2 n THR 196 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 1al2 n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1al2 s ARG 197 N 1.48 1.53 0.02 -0.78 1.70 -1.26 -4.43 118.95 117.19 1al2 s ARG 197 Ca 0.00 -0.73 -0.30 0.00 -0.47 0.00 0.00 55.73 54.23 1al2 s ARG 197 Cb 0.00 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 1al2 s ARG 197 CO 0.00 -0.69 1.08 0.42 -1.08 0.00 0.00 175.30 175.04 1al2 s ILE 198 N -3.82 4.49 -0.08 4.99 -1.09 -1.26 -4.20 121.20 120.23 1al2 s ILE 198 Ca 0.06 1.79 0.05 0.00 -2.23 0.00 0.00 60.65 60.31 1al2 s ILE 198 Cb -0.03 -4.14 -0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1al2 s ILE 198 CO -0.03 0.12 -0.24 -0.69 -1.23 0.00 0.00 174.94 172.88 1al2 s VAL 199 N 1.17 1.98 0.14 2.92 1.01 -0.55 -4.32 120.40 122.74 1al2 s VAL 199 Ca 0.55 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1al2 s VAL 199 Cb -0.24 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1al2 s VAL 199 CO 0.28 0.55 -0.18 0.68 0.00 0.00 0.00 175.10 176.42 1al2 s VAL 200 N 0.13 1.65 0.12 2.92 -7.23 -1.26 -1.00 120.40 115.73 1al2 s VAL 200 Ca -0.11 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1al2 s VAL 200 Cb -0.16 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.14 1al2 s VAL 200 CO 0.06 -0.27 0.16 -0.81 -0.31 0.00 0.00 175.10 173.94 1al2 n PRO 201 N 0.59 -0.12 -1.41 4.82 -0.04 -1.26 -5.05 135.00 132.53 1al2 n PRO 201 Ca -0.16 -0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 62.75 1al2 n PRO 201 Cb 0.56 -0.16 0.21 0.00 -0.04 0.00 0.00 33.50 34.07 1al2 n PRO 201 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1al2 s LEU 202 N 0.00 1.52 -1.14 1.53 1.43 -1.26 -3.97 118.68 116.79 1al2 s LEU 202 Ca 0.09 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1al2 s LEU 202 Cb -0.00 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1al2 s LEU 202 CO 0.06 -3.49 0.00 -1.20 0.23 0.00 0.00 176.35 171.96 1al2 n SER 203 N -4.32 -3.95 -4.05 2.29 7.64 -1.26 -4.94 113.62 105.02 1al2 n SER 203 Ca 0.13 0.20 -0.20 0.00 1.01 0.00 0.00 58.87 60.01 1al2 n SER 203 Cb 0.59 -3.39 -0.15 0.00 -1.01 0.00 0.00 64.21 60.25 1al2 n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1al2 s THR 204 N -2.57 0.88 0.14 0.44 2.01 -1.25 -5.11 115.64 110.17 1al2 s THR 204 Ca 0.00 -0.47 -0.35 0.00 0.31 0.00 0.00 61.69 61.19 1al2 s THR 204 Cb 0.00 -0.74 -0.15 0.00 0.01 0.00 0.00 72.50 71.62 1al2 s THR 204 CO 0.00 0.25 1.49 -2.65 -0.69 0.00 0.00 174.62 173.02 1al2 n PRO 205 N 2.89 1.78 0.00 4.92 -0.02 -1.26 -4.88 135.00 138.42 1al2 n PRO 205 Ca -0.14 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.11 1al2 n PRO 205 Cb 0.56 -2.36 0.37 0.00 -0.02 0.00 0.00 33.50 32.05 1al2 n PRO 205 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1al2 n ARG 206 N 3.06 0.54 -4.47 -0.52 1.74 -1.26 -4.87 116.66 110.88 1al2 n ARG 206 Ca 0.17 -0.30 -0.22 0.00 -0.77 0.00 0.00 57.85 56.74 1al2 n ARG 206 Cb 0.25 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.06 1al2 n ARG 206 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1al2 s GLU 207 N -2.66 1.08 0.27 5.56 2.02 -1.26 -0.87 118.70 122.83 1al2 s GLU 207 Ca 0.20 -0.76 -0.15 0.00 0.02 0.00 0.00 54.97 54.28 1al2 s GLU 207 Cb 0.19 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 33.32 1al2 s GLU 207 CO 0.57 0.28 0.57 0.00 0.02 0.00 0.00 175.26 176.70 1al2 s MET 208 N -1.02 1.68 0.03 1.61 0.23 -0.42 -5.00 119.30 116.42 1al2 s MET 208 Ca 0.04 -1.20 0.03 0.00 -1.03 0.00 0.00 55.69 53.52 1al2 s MET 208 Cb -0.08 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 1al2 s MET 208 CO 0.01 -0.73 -0.02 -0.51 -2.03 0.00 0.00 175.02 171.74 1al2 s ASP 209 N -3.00 4.92 0.10 -1.18 1.01 -1.26 -0.03 116.67 117.24 1al2 s ASP 209 Ca 0.19 -0.11 0.06 0.00 0.71 0.00 0.00 52.55 53.41 1al2 s ASP 209 Cb -0.03 -1.21 -0.04 0.00 1.01 0.00 0.00 42.92 42.66 1al2 s ASP 209 CO 0.09 0.25 -0.06 0.27 0.21 0.00 0.00 175.17 175.93 1al2 s ILE 210 N -1.12 3.60 0.07 0.77 -4.36 -0.16 -0.75 121.20 119.25 1al2 s ILE 210 Ca 0.20 -1.18 0.07 0.00 -0.26 0.00 0.00 60.65 59.49 1al2 s ILE 210 Cb -0.11 -2.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 1al2 s ILE 210 CO 0.12 0.11 -0.14 -0.76 0.24 0.00 0.00 174.94 174.50 1al2 s LEU 211 N -2.26 2.83 0.07 0.37 1.43 -0.37 -1.48 118.68 119.27 1al2 s LEU 211 Ca 0.23 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 53.02 1al2 s LEU 211 Cb -0.11 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1al2 s LEU 211 CO 0.15 0.23 -0.23 -0.83 0.23 0.00 0.00 176.35 175.90 1al2 s GLY 212 N -1.76 1.29 0.01 -3.19 0.00 -1.26 -0.03 107.32 102.38 1al2 s GLY 212 Ca 0.17 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1al2 s GLY 212 CO 0.09 -1.17 -0.11 -1.36 0.00 0.00 0.00 173.10 170.55 1al2 s PHE 213 N -0.93 0.94 0.02 1.90 0.40 0.64 -0.42 117.98 120.52 1al2 s PHE 213 Ca 0.09 -0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1al2 s PHE 213 Cb -0.10 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 1al2 s PHE 213 CO 0.03 -0.01 -0.22 0.54 0.70 0.00 0.00 175.22 176.26 1al2 s VAL 214 N -0.54 1.79 0.11 -0.44 0.11 -0.73 -0.96 120.40 119.75 1al2 s VAL 214 Ca 0.01 -1.12 -0.16 0.00 -2.93 0.00 0.00 61.98 57.78 1al2 s VAL 214 Cb -0.06 -1.52 0.03 0.00 -1.53 0.00 0.00 36.38 33.31 1al2 s VAL 214 CO 0.00 0.36 0.40 -0.94 -3.33 0.00 0.00 175.10 171.59 1al2 s SER 215 N -0.90 -0.23 0.32 3.54 1.04 -0.74 -2.14 113.70 114.58 1al2 s SER 215 Ca 0.09 -0.28 -0.22 0.00 0.48 0.00 0.00 55.95 56.02 1al2 s SER 215 Cb -0.09 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.40 1al2 s SER 215 CO 0.01 -0.82 0.86 0.00 0.98 0.00 0.00 173.24 174.27 1al2 s ALA 216 N -3.61 3.24 0.66 5.32 0.00 0.32 -0.85 121.76 126.84 1al2 s ALA 216 Ca 0.02 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.23 1al2 s ALA 216 Cb 0.02 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.12 1al2 s ALA 216 CO -0.11 0.22 1.01 0.00 0.00 0.00 0.00 175.76 176.89 1al2 n ASN 218 N -2.84 0.25 -1.50 0.00 2.04 -1.26 -1.46 115.26 110.49 1al2 n ASN 218 Ca 0.06 0.54 0.08 0.00 -0.44 0.00 0.00 54.58 54.82 1al2 n ASN 218 Cb 0.58 -0.54 0.33 0.00 -2.53 0.00 0.00 39.78 37.61 1al2 n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1al2 n ASP 219 N -1.82 4.44 -4.78 0.53 5.75 -1.26 -4.97 116.55 114.44 1al2 n ASP 219 Ca -0.01 -2.44 -0.37 0.00 -0.01 0.00 0.00 54.79 51.97 1al2 n ASP 219 Cb 0.15 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 39.62 1al2 n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1al2 s PHE 220 N -1.88 3.57 0.08 2.11 2.19 -0.54 -4.20 117.98 119.31 1al2 s PHE 220 Ca 0.47 0.75 -0.07 0.00 0.33 0.00 0.00 56.93 58.41 1al2 s PHE 220 Cb 0.30 -2.31 -0.01 0.00 -1.31 0.00 0.00 43.02 39.69 1al2 s PHE 220 CO 0.22 0.41 0.15 -1.54 1.83 0.00 0.00 175.22 176.28 1al2 s SER 221 N -0.14 0.18 0.18 6.13 1.04 0.06 -4.99 113.70 116.16 1al2 s SER 221 Ca 0.20 -0.70 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1al2 s SER 221 Cb -0.14 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1al2 s SER 221 CO 0.08 -0.69 -0.14 0.68 0.98 0.00 0.00 173.24 174.14 1al2 s VAL 222 N -3.79 1.56 0.33 5.02 -7.23 -1.26 -1.11 120.40 113.92 1al2 s VAL 222 Ca 0.05 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.01 1al2 s VAL 222 Cb 0.05 -1.91 0.03 0.00 0.56 0.00 0.00 36.38 35.11 1al2 s VAL 222 CO -0.10 -0.58 0.64 0.00 -0.31 0.00 0.00 175.10 174.75 1al2 s ARG 223 N -3.45 1.96 -0.30 4.82 1.70 -0.53 -5.01 118.95 118.14 1al2 s ARG 223 Ca 0.19 -1.41 -0.09 0.00 -0.47 0.00 0.00 55.73 53.94 1al2 s ARG 223 Cb -0.01 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 34.93 1al2 s ARG 223 CO 0.05 -0.88 0.24 -0.11 -1.08 0.00 0.00 175.30 173.52 1al2 n LEU 224 N -0.50 -6.61 -4.73 -1.89 0.00 -1.26 -1.68 117.00 100.32 1al2 n LEU 224 Ca -0.04 0.83 -0.41 0.00 0.00 0.00 0.00 56.01 56.39 1al2 n LEU 224 Cb 0.60 -2.86 0.00 0.00 0.00 0.00 0.00 43.42 41.17 1al2 n LEU 224 CO 0.25 -2.31 0.99 -0.11 0.00 0.00 0.00 177.39 176.20 1al2 n LEU 225 N 0.43 4.27 -3.72 -1.96 7.94 -1.26 -0.57 117.00 122.12 1al2 n LEU 225 Ca 0.02 1.18 -0.10 0.00 -1.11 0.00 0.00 56.01 56.00 1al2 n LEU 225 Cb 0.29 -1.55 -0.05 0.00 0.53 0.00 0.00 43.42 42.65 1al2 n LEU 225 CO 0.39 -0.29 0.17 0.00 -1.11 0.00 0.00 177.39 176.55 1al2 s ARG 226 N -2.11 1.18 0.31 1.96 1.70 0.12 -4.82 118.95 117.29 1al2 s ARG 226 Ca 0.57 -0.83 -0.28 0.00 -0.47 0.00 0.00 55.73 54.72 1al2 s ARG 226 Cb -0.51 0.47 -0.09 0.00 -0.57 0.00 0.00 34.95 34.25 1al2 s ARG 226 CO 0.61 -0.47 1.10 -0.51 -1.08 0.00 0.00 175.30 174.94 1al2 s ASP 227 N -2.85 7.10 0.62 -2.89 1.01 -1.26 -4.42 116.67 113.97 1al2 s ASP 227 Ca 0.07 2.23 -0.12 0.00 0.71 0.00 0.00 52.55 55.44 1al2 s ASP 227 Cb 0.01 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1al2 s ASP 227 CO -0.07 -0.26 1.03 0.28 0.21 0.00 0.00 175.17 176.36 1al2 s THR 228 N -1.28 4.54 -2.47 -1.27 -1.32 -1.22 -4.84 115.64 107.77 1al2 s THR 228 Ca 0.48 0.89 0.25 0.00 -1.21 0.00 0.00 61.69 62.10 1al2 s THR 228 Cb -0.30 -3.75 0.24 0.00 -1.51 0.00 0.00 72.50 67.18 1al2 s THR 228 CO 0.38 -1.01 1.38 0.35 -2.21 0.00 0.00 174.62 173.51 1al2 n THR 229 N -2.62 0.00 1.93 5.08 -2.24 -1.26 -4.52 114.28 110.65 1al2 n THR 229 Ca 0.06 -0.33 0.08 0.00 -2.27 0.00 0.00 64.05 61.60 1al2 n THR 229 Cb 0.54 1.04 0.47 0.00 -2.10 0.00 0.00 70.33 70.28 1al2 n THR 229 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1al2 n HIS 230 N 0.45 0.02 -3.72 4.78 8.25 -1.26 -4.69 115.22 119.05 1al2 n HIS 230 Ca 0.14 -0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.45 1al2 n HIS 230 Cb 0.47 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 1al2 n HIS 230 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1al2 s ILE 231 N -1.98 0.03 0.23 1.59 1.10 -1.26 -5.18 121.20 115.73 1al2 s ILE 231 Ca 0.25 -0.22 -0.10 0.00 -0.51 0.00 0.00 60.65 60.07 1al2 s ILE 231 Cb 0.12 -0.64 -0.01 0.00 0.15 0.00 0.00 42.46 42.07 1al2 s ILE 231 CO 0.19 -0.12 0.38 -1.83 -2.11 0.00 0.00 174.94 171.45 1al2 s GLU 232 N -0.66 1.45 -0.43 3.50 -1.05 -1.26 -4.97 118.70 115.28 1al2 s GLU 232 Ca -0.08 -1.35 0.06 0.00 -0.15 0.00 0.00 54.97 53.45 1al2 s GLU 232 Cb -0.04 0.41 0.22 0.00 -0.44 0.00 0.00 34.13 34.29 1al2 s GLU 232 CO 0.03 -0.57 0.48 0.94 0.95 0.00 0.00 175.26 177.09 1al2 n GLN 233 N -0.35 0.72 -2.13 -4.83 7.27 -1.26 -5.09 117.38 111.72 1al2 n GLN 233 Ca -0.01 -3.37 -0.42 0.00 0.07 0.00 0.00 57.00 53.27 1al2 n GLN 233 Cb 0.63 -1.49 -0.03 0.00 2.41 0.00 0.00 30.24 31.76 1al2 n GLN 233 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1al2 s LYS 234 N -0.88 4.28 0.00 3.69 -0.14 -1.26 -5.36 119.74 120.07 1al2 s LYS 234 Ca 0.34 2.11 0.00 0.00 -1.36 0.00 0.00 55.97 57.06 1al2 s LYS 234 Cb 0.12 -3.38 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 1al2 s LYS 234 CO -0.14 -0.54 0.00 0.00 -0.76 0.00 0.00 175.35 173.92