#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pez s PRO 2 N 0.00 2.69 0.46 0.00 0.04 -1.26 -4.57 135.00 132.35 1pez s PRO 2 Ca 0.00 0.95 0.14 0.00 0.04 0.00 0.00 61.00 62.14 1pez s PRO 2 Cb 0.00 -1.96 1.08 0.00 0.04 0.00 0.00 34.50 33.66 1pez s PRO 2 CO 0.00 -1.27 2.02 0.38 0.04 0.00 0.00 177.00 178.17 1pez h ASP 3 N -0.85 0.28 0.68 6.66 2.03 -1.92 -1.49 116.42 121.82 1pez h ASP 3 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1pez h ASP 3 Cb 1.22 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1pez h ASP 3 CO 0.56 0.18 0.00 0.35 -1.03 0.00 0.00 179.24 179.30 1pez n THR 4 N -4.47 0.13 -1.64 1.15 -2.24 -1.26 -4.83 114.28 101.12 1pez n THR 4 Ca 0.06 0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.49 1pez n THR 4 Cb 0.30 -0.58 0.04 0.00 -2.10 0.00 0.00 70.33 67.99 1pez n THR 4 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1pez n SER 5 N -1.37 1.26 0.00 3.42 2.88 -0.56 -4.87 113.62 114.36 1pez n SER 5 Ca 0.10 0.89 0.10 0.00 -1.33 0.00 0.00 58.87 58.63 1pez n SER 5 Cb 0.26 -1.42 0.45 0.00 -0.75 0.00 0.00 64.21 62.75 1pez n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pez n SER 6 N -0.49 0.00 -0.51 -3.46 3.41 -1.26 -2.46 113.62 108.85 1pez n SER 6 Ca 0.12 0.34 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 1pez n SER 6 Cb 0.45 -0.43 0.49 0.00 -0.26 0.00 0.00 64.21 64.46 1pez n SER 6 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pez n SER 7 N -1.43 1.60 -4.53 4.04 3.41 -1.26 -4.68 113.62 110.77 1pez n SER 7 Ca 0.06 -1.54 -0.41 0.00 -0.26 0.00 0.00 58.87 56.72 1pez n SER 7 Cb 0.21 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1pez n SER 7 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1pez s ASN 8 N -1.98 6.28 0.00 4.04 3.84 -1.03 -4.85 114.94 121.25 1pez s ASN 8 Ca 0.37 -0.89 0.28 0.00 0.21 0.00 0.00 52.86 52.83 1pez s ASN 8 Cb 0.21 -2.53 1.10 0.00 -0.55 0.00 0.00 41.25 39.47 1pez s ASN 8 CO 0.33 -1.65 1.82 0.29 -2.79 0.00 0.00 177.10 175.10 1pez n LYS 9 N 8.85 0.06 0.00 0.43 5.02 -1.26 -3.83 118.16 127.43 1pez n LYS 9 Ca 0.12 -0.01 0.11 0.00 -2.02 0.00 0.00 58.31 56.50 1pez n LYS 9 Cb 0.49 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.04 1pez n LYS 9 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pez n GLN 10 N -1.46 0.26 -3.67 1.97 3.00 -1.26 -0.15 117.38 116.06 1pez n GLN 10 Ca 0.07 -0.19 -0.22 0.00 -0.01 0.00 0.00 57.00 56.65 1pez n GLN 10 Cb 0.33 -1.50 -0.18 0.00 0.00 0.00 0.00 30.24 28.90 1pez n GLN 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1pez s ASN 11 N -2.88 1.60 0.00 1.08 3.84 -1.25 -4.54 114.94 112.79 1pez s ASN 11 Ca 0.12 -0.17 0.07 0.00 0.21 0.00 0.00 52.86 53.09 1pez s ASN 11 Cb 0.17 -0.23 0.17 0.00 -0.55 0.00 0.00 41.25 40.82 1pez s ASN 11 CO 0.75 -0.27 1.09 0.49 -2.79 0.00 0.00 177.10 176.36 1pez n PHE 12 N 5.26 0.25 0.30 0.43 3.01 -1.26 -4.66 117.46 120.79 1pez n PHE 12 Ca -0.05 -0.40 0.19 0.00 1.01 0.00 0.00 57.45 58.20 1pez n PHE 12 Cb 0.50 -0.03 0.89 0.00 -0.01 0.00 0.00 39.48 40.83 1pez n PHE 12 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1pez h SER 13 N 1.36 0.00 -0.10 4.37 0.02 -1.84 -1.26 113.55 116.10 1pez h SER 13 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pez h SER 13 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1pez h SER 13 CO 0.00 0.01 0.00 0.35 -1.14 0.00 0.00 176.83 176.05 1pez n THR 14 N -3.12 0.11 -3.42 -2.27 -2.24 -1.26 -4.51 114.28 97.56 1pez n THR 14 Ca -0.01 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 61.11 1pez n THR 14 Cb 0.21 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 1pez n THR 14 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1pez s ASP 15 N -1.87 5.32 -0.17 3.42 1.01 -0.48 -3.77 116.67 120.14 1pez s ASP 15 Ca 0.33 -0.58 -0.01 0.00 0.71 0.00 0.00 52.55 53.00 1pez s ASP 15 Cb 0.20 -0.69 0.05 0.00 1.01 0.00 0.00 42.92 43.50 1pez s ASP 15 CO 0.31 -0.64 -0.02 -0.69 0.21 0.00 0.00 175.17 174.34 1pez s VAL 16 N -2.40 0.93 0.12 -1.27 1.01 -1.26 -4.36 120.40 113.17 1pez s VAL 16 Ca 0.49 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1pez s VAL 16 Cb -0.06 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1pez s VAL 16 CO 0.29 0.02 0.78 -0.63 0.00 0.00 0.00 175.10 175.57 1pez s ILE 17 N 1.70 4.51 -0.28 2.22 1.01 0.17 -2.40 121.20 128.13 1pez s ILE 17 Ca -0.00 1.68 -0.04 0.00 0.00 0.00 0.00 60.65 62.29 1pez s ILE 17 Cb -0.16 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.20 1pez s ILE 17 CO -0.07 0.46 0.01 -0.47 0.00 0.00 0.00 174.94 174.87 1pez s TYR 18 N -0.71 3.13 -0.26 3.97 5.04 0.92 0.41 117.35 129.85 1pez s TYR 18 Ca 0.37 -1.31 -0.24 0.00 -2.44 0.00 0.00 57.07 53.44 1pez s TYR 18 Cb -0.22 -2.16 -0.00 0.00 0.35 0.00 0.00 41.96 39.93 1pez s TYR 18 CO 0.25 -0.67 0.82 -1.14 -1.34 0.00 0.00 175.55 173.47 1pez s GLN 19 N 1.40 4.14 -0.18 4.97 0.74 0.85 -1.26 119.66 130.32 1pez s GLN 19 Ca 0.01 0.86 -0.03 0.00 0.05 0.00 0.00 55.36 56.25 1pez s GLN 19 Cb -0.17 -3.66 -0.01 0.00 1.10 0.00 0.00 33.01 30.26 1pez s GLN 19 CO -0.01 -0.55 -0.06 0.42 -0.55 0.00 0.00 175.29 174.54 1pez s ILE 20 N 2.87 3.39 -0.89 -2.34 1.01 0.10 -0.54 121.20 124.80 1pez s ILE 20 Ca 0.34 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 1pez s ILE 20 Cb -0.15 -2.50 0.11 0.00 0.01 0.00 0.00 42.46 39.93 1pez s ILE 20 CO 0.08 0.46 1.13 0.12 0.00 0.00 0.00 174.94 176.74 1pez s PHE 21 N 0.96 2.99 0.18 3.97 5.36 -1.26 -3.13 117.98 127.05 1pez s PHE 21 Ca -0.01 -1.21 -0.07 0.00 -0.96 0.00 0.00 56.93 54.69 1pez s PHE 21 Cb -0.15 -4.32 0.28 0.00 -0.34 0.00 0.00 43.02 38.49 1pez s PHE 21 CO 0.00 -1.56 1.06 2.41 -1.46 0.00 0.00 175.22 175.67 1pez n THR 22 N 5.70 -0.30 0.27 0.12 -1.04 -1.26 0.13 114.28 117.90 1pez n THR 22 Ca 0.20 1.56 0.13 0.00 -2.04 0.00 0.00 64.05 63.91 1pez n THR 22 Cb 0.49 -2.14 0.74 0.00 -1.82 0.00 0.00 70.33 67.59 1pez n THR 22 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1pez h ASP 23 N 0.00 0.00 -0.51 8.00 3.58 -1.79 -3.02 116.42 122.68 1pez h ASP 23 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1pez h ASP 23 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1pez h ASP 23 CO -0.69 0.11 0.00 0.54 -2.88 0.00 0.00 179.24 176.32 1pez n ARG 24 N -3.59 2.77 0.00 0.28 5.12 0.12 -0.63 116.66 120.73 1pez n ARG 24 Ca -0.02 -2.31 0.00 0.00 -1.93 0.00 0.00 57.85 53.60 1pez n ARG 24 Cb 0.24 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1pez n ARG 24 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1pez n PHE 25 N 1.03 0.00 -3.68 -1.55 7.35 -1.09 -1.75 117.46 117.77 1pez n PHE 25 Ca 0.17 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.76 1pez n PHE 25 Cb 0.51 -0.06 -0.11 0.00 0.35 0.00 0.00 39.48 40.17 1pez n PHE 25 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pez s SER 26 N -2.84 -0.26 -0.82 -2.13 0.15 -1.26 -4.54 113.70 101.99 1pez s SER 26 Ca 0.00 0.86 -0.22 0.00 0.70 0.00 0.00 55.95 57.29 1pez s SER 26 Cb 0.00 0.95 0.08 0.00 -1.71 0.00 0.00 66.02 65.34 1pez s SER 26 CO 0.00 -0.21 1.14 -0.62 1.20 0.00 0.00 173.24 174.75 1pez s ASP 27 N 2.01 6.37 0.00 5.45 2.15 -1.26 -1.64 116.67 129.75 1pez s ASP 27 Ca -0.05 -1.32 0.25 0.00 0.43 0.00 0.00 52.55 51.86 1pez s ASP 27 Cb -0.10 -2.46 0.45 0.00 -0.30 0.00 0.00 42.92 40.51 1pez s ASP 27 CO -0.12 -1.39 1.37 0.61 -0.17 0.00 0.00 175.17 175.47 1pez n GLY 28 N 5.67 -1.15 2.64 2.66 0.00 -1.26 -4.69 105.19 109.06 1pez n GLY 28 Ca 0.12 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1pez n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pez s ASN 29 N -2.95 2.14 0.60 1.61 2.47 -1.26 -4.72 114.94 112.83 1pez s ASN 29 Ca 0.12 -1.54 0.31 0.00 0.42 0.00 0.00 52.86 52.17 1pez s ASN 29 Cb 0.18 0.14 1.88 0.00 -1.45 0.00 0.00 41.25 42.00 1pez s ASN 29 CO 0.70 -0.33 2.27 -0.65 -3.72 0.00 0.00 177.10 175.37 1pez h PRO 30 N 7.50 0.00 -0.27 0.43 0.11 -1.92 -2.88 132.00 134.97 1pez h PRO 30 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1pez h PRO 30 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1pez h PRO 30 CO 0.28 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 178.12 1pez h ALA 31 N 2.00 1.58 -0.32 -0.75 0.00 -1.99 -2.50 119.26 117.27 1pez h ALA 31 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pez h ALA 31 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pez h ALA 31 CO -0.00 0.32 0.00 0.27 0.00 0.00 0.00 179.25 179.84 1pez n ASN 32 N -4.37 2.06 -4.74 0.00 0.23 -1.09 -4.94 115.26 102.42 1pez n ASN 32 Ca 0.01 -1.90 -0.41 0.00 -0.53 0.00 0.00 54.58 51.74 1pez n ASN 32 Cb 0.18 -0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 37.63 1pez n ASN 32 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1pez s ASN 33 N -1.22 6.83 1.09 0.53 0.01 -0.94 -4.23 114.94 117.01 1pez s ASN 33 Ca 0.29 2.45 -0.12 0.00 -0.71 0.00 0.00 52.86 54.77 1pez s ASN 33 Cb 0.16 -2.61 0.22 0.00 0.41 0.00 0.00 41.25 39.43 1pez s ASN 33 CO 0.22 -0.58 0.95 -2.65 -1.51 0.00 0.00 177.10 173.52 1pez n PRO 34 N 2.75 -1.71 -4.56 -0.60 -0.02 -1.26 -5.03 135.00 124.57 1pez n PRO 34 Ca 0.07 -0.46 -0.26 0.00 -2.02 0.00 0.00 63.50 60.83 1pez n PRO 34 Cb 0.42 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 1pez n PRO 34 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1pez s THR 35 N -2.46 1.12 0.00 3.45 -4.23 -1.26 -4.65 115.64 107.61 1pez s THR 35 Ca 0.67 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1pez s THR 35 Cb -0.24 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1pez s THR 35 CO 0.63 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 1pez n GLY 36 N -0.92 2.26 0.00 3.99 0.00 -1.26 -2.60 105.19 106.66 1pez n GLY 36 Ca -0.07 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.53 1pez n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pez n ALA 37 N 7.42 1.41 0.97 4.61 0.00 -1.26 -1.85 120.51 131.81 1pez n ALA 37 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1pez n ALA 37 Cb 0.00 -1.10 0.31 0.00 0.00 0.00 0.00 19.45 18.66 1pez n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pez n ALA 38 N -1.35 2.49 -2.74 0.00 0.00 -1.07 -4.95 120.51 112.89 1pez n ALA 38 Ca 0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.66 1pez n ALA 38 Cb 0.06 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 1pez n ALA 38 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1pez s PHE 39 N -1.77 0.72 -0.35 0.00 5.36 -0.77 -1.72 117.98 119.44 1pez s PHE 39 Ca 0.34 -0.57 0.05 0.00 -0.96 0.00 0.00 56.93 55.80 1pez s PHE 39 Cb 0.20 -0.43 0.18 0.00 -0.34 0.00 0.00 43.02 42.63 1pez s PHE 39 CO 0.30 -0.09 0.53 0.34 -1.46 0.00 0.00 175.22 174.83 1pez s ASP 40 N -1.83 -0.65 0.67 6.13 2.15 -0.48 -4.84 116.67 117.81 1pez s ASP 40 Ca -0.06 -0.66 0.45 0.00 0.43 0.00 0.00 52.55 52.71 1pez s ASP 40 Cb -0.07 1.54 2.43 0.00 -0.30 0.00 0.00 42.92 46.52 1pez s ASP 40 CO -0.00 -0.25 2.37 1.23 -0.17 0.00 0.00 175.17 178.35 1pez h GLY 41 N 7.45 0.00 0.19 2.66 0.00 -1.81 0.09 103.07 111.66 1pez h GLY 41 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1pez h GLY 41 CO 0.16 0.00 -0.13 -1.30 0.00 0.00 0.00 176.54 175.27 1pez n THR 42 N -3.07 0.00 -3.99 4.70 -2.24 -1.26 -4.94 114.28 103.47 1pez n THR 42 Ca -0.03 -0.15 -0.28 0.00 -2.27 0.00 0.00 64.05 61.33 1pez n THR 42 Cb 0.07 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1pez n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pez n THR 44 N -4.44 1.50 -3.08 0.00 -1.04 -1.26 -4.68 114.28 101.28 1pez n THR 44 Ca -0.29 -0.73 -0.45 0.00 -2.04 0.00 0.00 64.05 60.54 1pez n THR 44 Cb 0.68 -1.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 1pez n THR 44 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1pez s ASN 45 N -6.09 6.34 0.00 8.00 3.84 -1.26 -4.92 114.94 120.86 1pez s ASN 45 Ca -0.19 -1.66 0.00 0.00 0.21 0.00 0.00 52.86 51.22 1pez s ASN 45 Cb 0.07 -2.32 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 1pez s ASN 45 CO 0.75 -1.07 0.48 0.18 -2.79 0.00 0.00 177.10 174.64 1pez n LEU 46 N 6.22 0.08 -0.32 3.21 4.77 -1.26 -2.44 117.00 127.26 1pez n LEU 46 Ca 0.00 -0.04 0.04 0.00 -0.03 0.00 0.00 56.01 55.98 1pez n LEU 46 Cb 0.45 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1pez n LEU 46 CO 0.54 0.02 0.40 0.54 -1.33 0.00 0.00 177.39 177.56 1pez n ARG 47 N -0.38 0.38 -4.28 3.23 1.74 -1.26 -4.85 116.66 111.23 1pez n ARG 47 Ca 0.00 -1.06 -0.24 0.00 -0.77 0.00 0.00 57.85 55.78 1pez n ARG 47 Cb 0.02 -1.15 -0.08 0.00 -1.02 0.00 0.00 32.46 30.23 1pez n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pez s LEU 48 N -0.68 3.05 0.29 0.55 1.02 -1.02 -1.45 118.68 120.44 1pez s LEU 48 Ca 0.10 -0.92 -0.29 0.00 0.02 0.00 0.00 54.13 53.03 1pez s LEU 48 Cb 0.07 -1.45 -0.10 0.00 0.02 0.00 0.00 46.19 44.72 1pez s LEU 48 CO 0.10 -0.23 1.40 -0.31 0.02 0.00 0.00 176.35 177.32 1pez s TYR 49 N -2.49 2.99 -0.02 0.29 1.51 -0.70 -4.81 117.35 114.12 1pez s TYR 49 Ca 0.35 1.16 0.16 0.00 -1.01 0.00 0.00 57.07 57.74 1pez s TYR 49 Cb -0.01 -3.79 -0.25 0.00 -0.11 0.00 0.00 41.96 37.79 1pez s TYR 49 CO 0.20 -2.44 0.36 0.00 -1.11 0.00 0.00 175.55 172.56 1pez n GLY 51 N 1.58 2.04 3.62 0.00 0.00 -1.25 -4.50 105.19 106.68 1pez n GLY 51 Ca -0.03 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.50 1pez n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pez n GLY 52 N 0.00 0.66 1.68 -0.02 0.00 0.20 -4.26 105.19 103.45 1pez n GLY 52 Ca 0.00 0.66 -0.10 0.00 0.00 0.00 0.00 46.02 46.58 1pez n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pez n ASP 53 N 2.74 -0.44 0.13 1.61 5.68 -0.65 -3.56 116.55 122.05 1pez n ASP 53 Ca 0.17 -2.10 -0.02 0.00 -0.50 0.00 0.00 54.79 52.34 1pez n ASP 53 Cb 0.23 0.97 0.16 0.00 -1.14 0.00 0.00 41.12 41.34 1pez n ASP 53 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1pez h TRP 54 N 1.55 0.03 -0.13 2.11 6.55 -1.48 -2.81 115.95 121.77 1pez h TRP 54 Ca -0.13 -0.01 -0.07 0.00 0.95 0.00 0.00 58.89 59.63 1pez h TRP 54 Cb 0.62 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.90 1pez h TRP 54 CO 0.00 0.65 -0.24 0.37 -1.05 0.00 0.00 178.44 178.16 1pez h GLN 55 N 0.02 0.24 -0.49 0.49 5.75 -1.89 -0.13 115.11 119.10 1pez h GLN 55 Ca -0.01 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.29 1pez h GLN 55 Cb 1.11 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 1pez h GLN 55 CO 0.08 0.47 -0.18 0.78 -2.65 0.00 0.00 178.83 177.34 1pez h GLY 56 N 0.94 1.08 0.94 2.39 0.00 -1.59 0.38 103.07 107.22 1pez h GLY 56 Ca 0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.38 1pez h GLY 56 CO 0.04 0.85 0.06 -2.22 0.00 0.00 0.00 176.54 175.26 1pez h ILE 57 N 0.85 1.24 -0.75 2.60 2.04 -1.23 -1.34 117.51 120.93 1pez h ILE 57 Ca 0.12 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.18 1pez h ILE 57 Cb 0.76 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 1pez h ILE 57 CO 0.06 0.30 0.41 0.40 0.00 0.00 0.00 178.15 179.32 1pez h ILE 58 N 0.51 0.90 -0.58 -0.67 2.04 -0.79 -0.16 117.51 118.77 1pez h ILE 58 Ca 0.12 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1pez h ILE 58 Cb 0.38 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1pez h ILE 58 CO 0.01 0.13 0.10 0.78 0.00 0.00 0.00 178.15 179.16 1pez h ASN 59 N 0.70 0.93 1.17 1.72 2.35 -0.47 -1.14 115.58 120.85 1pez h ASN 59 Ca 0.36 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1pez h ASN 59 Cb 0.32 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1pez h ASN 59 CO -0.24 0.95 0.00 0.11 -1.65 0.00 0.00 177.43 176.60 1pez h LYS 60 N 0.87 0.00 0.18 0.81 1.79 -0.59 0.10 116.57 119.73 1pez h LYS 60 Ca 0.18 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.34 1pez h LYS 60 Cb 0.42 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1pez h LYS 60 CO 0.01 0.00 -1.44 0.82 -1.08 0.00 0.00 179.45 177.76 1pez h ILE 61 N 0.00 1.29 0.00 1.86 2.04 -0.62 -2.97 117.51 119.11 1pez h ILE 61 Ca 0.00 -2.83 -0.17 0.00 1.00 0.00 0.00 64.86 62.86 1pez h ILE 61 Cb 0.59 2.92 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1pez h ILE 61 CO 0.00 0.85 -0.81 0.78 0.00 0.00 0.00 178.15 178.96 1pez h ASN 62 N 0.10 0.00 -0.41 1.72 -0.26 -0.81 -3.30 115.58 112.62 1pez h ASN 62 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1pez h ASN 62 Cb 2.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.33 1pez h ASN 62 CO 0.22 0.81 0.00 -0.90 -1.06 0.00 0.00 177.43 176.50 1pez n ASP 63 N -3.32 2.47 0.00 5.81 5.68 -0.01 -4.96 116.55 122.22 1pez n ASP 63 Ca 0.01 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1pez n ASP 63 Cb 0.86 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1pez n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pez n GLY 64 N 1.26 0.81 0.08 6.12 0.00 -1.24 -4.96 105.19 107.25 1pez n GLY 64 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1pez n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pez h TYR 65 N 0.00 0.00 0.16 1.61 3.20 -1.82 0.04 116.97 120.16 1pez h TYR 65 Ca 0.00 0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.62 1pez h TYR 65 Cb 0.00 0.02 0.03 0.00 1.54 0.00 0.00 36.73 38.32 1pez h TYR 65 CO 0.00 -0.01 -1.10 -0.07 -1.64 0.00 0.00 178.16 175.34 1pez h LEU 66 N 0.05 0.69 -0.16 2.82 3.38 -1.89 -3.13 115.31 117.08 1pez h LEU 66 Ca 0.06 -0.89 0.03 0.00 0.09 0.00 0.00 57.88 57.16 1pez h LEU 66 Cb 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1pez h LEU 66 CO -0.10 1.53 -0.01 0.74 0.09 0.00 0.00 178.44 180.69 1pez h THR 67 N -0.03 0.88 0.00 0.22 2.02 -1.78 -1.59 112.91 112.63 1pez h THR 67 Ca -0.18 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1pez h THR 67 Cb 1.84 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1pez h THR 67 CO 0.21 0.01 -0.04 1.23 0.37 0.00 0.00 175.52 177.30 1pez h GLY 68 N 0.04 0.00 1.61 2.16 0.00 -1.09 -1.98 103.07 103.81 1pez h GLY 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1pez h GLY 68 CO -0.13 0.00 -0.39 1.98 0.00 0.00 0.00 176.54 178.00 1pez h MET 69 N 0.00 0.00 0.00 4.80 -1.53 -1.25 -3.45 114.93 113.50 1pez h MET 69 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1pez h MET 69 Cb 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 1pez h MET 69 CO 0.00 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.46 1pez n GLY 70 N 1.14 0.74 3.73 1.39 0.00 -0.75 -2.57 105.19 108.87 1pez n GLY 70 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1pez n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pez s VAL 71 N -2.04 3.19 0.00 1.61 1.01 -0.92 -4.61 120.40 118.63 1pez s VAL 71 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1pez s VAL 71 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1pez s VAL 71 CO 0.00 0.13 0.72 0.35 0.00 0.00 0.00 175.10 176.29 1pez n THR 72 N 2.92 0.50 -3.54 3.92 -2.24 -1.01 -4.51 114.28 110.33 1pez n THR 72 Ca 0.07 -0.67 -0.17 0.00 -2.27 0.00 0.00 64.05 61.02 1pez n THR 72 Cb 0.42 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1pez n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pez s ALA 73 N -0.50 -1.78 0.05 6.98 0.00 -1.11 -1.54 121.76 123.86 1pez s ALA 73 Ca 0.00 1.44 0.05 0.00 0.00 0.00 0.00 51.96 53.46 1pez s ALA 73 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1pez s ALA 73 CO 0.00 -0.36 -0.15 0.96 0.00 0.00 0.00 175.76 176.21 1pez s ILE 74 N -0.94 1.22 -0.19 0.00 -4.36 -0.49 -0.05 121.20 116.38 1pez s ILE 74 Ca -0.09 -1.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 1pez s ILE 74 Cb -0.01 -1.11 0.03 0.00 1.25 0.00 0.00 42.46 42.62 1pez s ILE 74 CO 0.08 -0.00 -0.16 0.86 0.24 0.00 0.00 174.94 175.96 1pez s TRP 75 N -0.92 2.71 0.31 1.37 -0.00 -0.39 0.32 118.94 122.34 1pez s TRP 75 Ca 0.02 -1.69 0.08 0.00 -0.00 0.00 0.00 56.10 54.51 1pez s TRP 75 Cb -0.08 -1.82 -0.04 0.00 -0.00 0.00 0.00 33.47 31.53 1pez s TRP 75 CO 0.02 -0.79 0.13 0.96 -0.00 0.00 0.00 176.95 177.27 1pez s ILE 76 N 1.31 3.37 0.76 5.86 -4.36 -0.11 0.01 121.20 128.05 1pez s ILE 76 Ca 0.01 -1.67 -0.15 0.00 -0.26 0.00 0.00 60.65 58.58 1pez s ILE 76 Cb -0.15 -3.03 0.03 0.00 1.25 0.00 0.00 42.46 40.57 1pez s ILE 76 CO -0.10 -0.25 1.05 -1.20 0.24 0.00 0.00 174.94 174.67 1pez n SER 77 N -1.12 0.67 -4.65 4.36 7.64 -1.18 -2.03 113.62 117.30 1pez n SER 77 Ca -0.04 0.63 -0.51 0.00 1.01 0.00 0.00 58.87 59.96 1pez n SER 77 Cb 0.60 -1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.30 1pez n SER 77 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1pez n GLN 78 N -2.36 1.53 0.18 1.43 7.27 -1.26 -4.36 117.38 119.82 1pez n GLN 78 Ca 0.13 0.56 0.13 0.00 0.07 0.00 0.00 57.00 57.88 1pez n GLN 78 Cb 0.50 -2.27 0.31 0.00 2.41 0.00 0.00 30.24 31.19 1pez n GLN 78 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1pez h PRO 79 N 6.19 0.00 -7.21 3.69 0.13 -1.88 -3.44 132.00 129.48 1pez h PRO 79 Ca -0.47 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 1pez h PRO 79 Cb 1.30 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.58 1pez h PRO 79 CO 0.87 0.00 0.35 0.14 -0.23 0.00 0.00 178.00 179.13 1pez s VAL 80 N -3.21 2.54 0.14 1.56 -7.23 -1.26 -0.65 120.40 112.29 1pez s VAL 80 Ca 0.08 0.24 -0.31 0.00 -1.81 0.00 0.00 61.98 60.17 1pez s VAL 80 Cb 0.08 -2.69 -0.10 0.00 0.56 0.00 0.00 36.38 34.23 1pez s VAL 80 CO 0.62 -0.17 1.74 -0.70 -0.31 0.00 0.00 175.10 176.28 1pez s GLU 81 N -4.18 4.16 0.47 4.82 2.12 0.03 -3.81 118.70 122.29 1pez s GLU 81 Ca 0.70 2.52 0.08 0.00 0.36 0.00 0.00 54.97 58.63 1pez s GLU 81 Cb -0.25 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.75 1pez s GLU 81 CO 0.48 -0.77 0.57 -0.80 -0.54 0.00 0.00 175.26 174.20 1pez s ASN 82 N 2.09 5.33 0.81 -1.70 0.02 -1.26 -0.82 114.94 119.40 1pez s ASN 82 Ca 0.77 -0.65 -0.11 0.00 -1.02 0.00 0.00 52.86 51.85 1pez s ASN 82 Cb -0.45 -0.33 0.08 0.00 0.02 0.00 0.00 41.25 40.56 1pez s ASN 82 CO 0.34 -0.90 1.10 0.27 0.02 0.00 0.00 177.10 177.92 1pez s ILE 83 N -2.48 3.09 -1.70 0.60 -4.36 -0.84 -4.71 121.20 110.80 1pez s ILE 83 Ca 0.54 0.35 0.18 0.00 -0.26 0.00 0.00 60.65 61.46 1pez s ILE 83 Cb -0.07 -2.79 0.02 0.00 1.25 0.00 0.00 42.46 40.87 1pez s ILE 83 CO 0.33 -0.46 0.93 -1.22 0.24 0.00 0.00 174.94 174.75 1pez n TYR 84 N -3.66 0.00 -1.54 1.37 4.01 -1.26 -4.63 117.16 111.46 1pez n TYR 84 Ca 0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.46 1pez n TYR 84 Cb 0.53 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.63 1pez n TYR 84 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1pez n SER 85 N 0.07 0.71 -4.07 7.72 7.64 -1.26 -4.98 113.62 119.46 1pez n SER 85 Ca 0.08 0.75 -0.34 0.00 1.01 0.00 0.00 58.87 60.37 1pez n SER 85 Cb 0.38 -1.40 -0.12 0.00 -1.01 0.00 0.00 64.21 62.05 1pez n SER 85 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1pez s ILE 86 N -1.61 3.02 -0.04 0.44 1.01 -1.26 -4.57 121.20 118.19 1pez s ILE 86 Ca 0.76 -2.48 -0.30 0.00 0.00 0.00 0.00 60.65 58.63 1pez s ILE 86 Cb -0.39 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 1pez s ILE 86 CO 0.47 -0.72 1.02 -0.63 0.00 0.00 0.00 174.94 175.08 1pez s ILE 87 N 0.65 4.75 -0.47 2.92 1.01 0.26 -4.73 121.20 125.59 1pez s ILE 87 Ca 0.12 1.99 -0.18 0.00 0.00 0.00 0.00 60.65 62.58 1pez s ILE 87 Cb -0.22 -4.28 0.05 0.00 0.01 0.00 0.00 42.46 38.02 1pez s ILE 87 CO -0.04 0.09 0.54 0.21 0.00 0.00 0.00 174.94 175.73 1pez s ASN 88 N 1.07 6.22 -0.57 3.58 3.84 -1.26 0.58 114.94 128.40 1pez s ASN 88 Ca 0.51 -0.83 -0.11 0.00 0.21 0.00 0.00 52.86 52.64 1pez s ASN 88 Cb -0.21 -2.26 0.14 0.00 -0.55 0.00 0.00 41.25 38.38 1pez s ASN 88 CO 0.24 -0.76 0.47 -0.31 -2.79 0.00 0.00 177.10 173.95 1pez s TYR 89 N 2.38 3.43 -1.19 0.43 2.02 0.88 -4.62 117.35 120.68 1pez s TYR 89 Ca 0.14 -1.81 -0.04 0.00 -0.37 0.00 0.00 57.07 54.98 1pez s TYR 89 Cb -0.19 -3.61 -0.02 0.00 -0.40 0.00 0.00 41.96 37.75 1pez s TYR 89 CO 0.13 -0.99 0.85 0.43 -1.57 0.00 0.00 175.55 174.40 1pez n SER 90 N 4.71 -3.28 0.00 2.29 7.64 -1.26 -2.47 113.62 121.25 1pez n SER 90 Ca -0.04 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1pez n SER 90 Cb 0.41 -4.56 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 1pez n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pez n GLY 91 N -1.38 1.57 3.28 0.23 0.00 -1.26 -5.02 105.19 102.62 1pez n GLY 91 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1pez n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pez s VAL 92 N -3.38 2.91 0.39 1.61 1.01 -1.03 -5.09 120.40 116.81 1pez s VAL 92 Ca 0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1pez s VAL 92 Cb 0.00 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 1pez s VAL 92 CO 0.00 0.49 1.06 0.20 0.00 0.00 0.00 175.10 176.85 1pez s ASN 93 N 1.01 6.77 -0.00 3.32 0.01 -1.26 -0.08 114.94 124.72 1pez s ASN 93 Ca -0.01 2.08 0.00 0.00 -0.71 0.00 0.00 52.86 54.22 1pez s ASN 93 Cb -0.15 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.92 1pez s ASN 93 CO -0.02 -0.48 -0.01 0.20 -1.51 0.00 0.00 177.10 175.28 1pez s ASN 94 N -1.48 0.07 0.49 -1.22 0.01 0.20 -4.75 114.94 108.25 1pez s ASN 94 Ca 0.57 -0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.71 1pez s ASN 94 Cb -0.23 -0.01 -0.00 0.00 0.41 0.00 0.00 41.25 41.42 1pez s ASN 94 CO 0.29 0.01 0.02 0.35 -1.51 0.00 0.00 177.10 176.26 1pez n THR 95 N 3.08 0.00 -0.57 1.60 -2.24 -0.53 -0.58 114.28 115.05 1pez n THR 95 Ca -0.12 -2.35 -0.15 0.00 -2.27 0.00 0.00 64.05 59.16 1pez n THR 95 Cb 0.60 0.52 0.15 0.00 -2.10 0.00 0.00 70.33 69.49 1pez n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pez n ALA 96 N -1.37 4.58 -0.10 6.98 0.00 -1.26 -4.58 120.51 124.75 1pez n ALA 96 Ca -0.20 -1.99 0.26 0.00 0.00 0.00 0.00 53.44 51.51 1pez n ALA 96 Cb 0.63 -1.29 0.72 0.00 0.00 0.00 0.00 19.45 19.50 1pez n ALA 96 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1pez h TYR 97 N 0.97 0.00 0.00 0.00 -0.00 -1.90 0.20 116.97 116.24 1pez h TYR 97 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.13 1pez h TYR 97 Cb 2.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.98 1pez h TYR 97 CO 1.10 0.00 0.00 1.12 -0.00 0.00 0.00 178.16 180.38 1pez h HIS 98 N 0.00 0.00 0.00 0.10 2.07 -1.97 -3.41 115.15 111.94 1pez h HIS 98 Ca 0.36 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.88 1pez h HIS 98 Cb 1.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.50 1pez h HIS 98 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 1pez n GLY 99 N 1.09 0.40 0.52 6.13 0.00 0.71 -4.46 105.19 109.58 1pez n GLY 99 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1pez n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pez n TYR 100 N -2.79 0.10 -3.42 1.61 4.01 -1.26 -4.44 117.16 110.96 1pez n TYR 100 Ca 0.00 -0.05 -0.35 0.00 -0.16 0.00 0.00 57.90 57.34 1pez n TYR 100 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 1pez n TYR 100 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1pez n TRP 101 N 0.25 3.60 -1.87 -0.72 8.01 -1.26 -4.82 117.44 120.64 1pez n TRP 101 Ca 0.18 -3.76 -0.34 0.00 -1.31 0.00 0.00 57.50 52.27 1pez n TRP 101 Cb 0.35 -1.02 0.04 0.00 -2.01 0.00 0.00 31.31 28.67 1pez n TRP 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1pez s ALA 102 N -2.03 2.48 0.00 6.99 0.00 -0.37 -1.98 121.76 126.85 1pez s ALA 102 Ca 0.32 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1pez s ALA 102 Cb 0.02 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1pez s ALA 102 CO -0.04 -1.23 0.00 2.89 0.00 0.00 0.00 175.76 177.38 1pez n ARG 103 N -2.06 1.26 -3.42 0.00 1.85 0.00 -3.77 116.66 110.53 1pez n ARG 103 Ca 0.12 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.82 1pez n ARG 103 Cb 0.51 -0.67 -0.11 0.00 -1.05 0.00 0.00 32.46 31.15 1pez n ARG 103 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1pez s ASP 104 N -1.79 0.94 0.00 2.89 -1.08 -1.12 0.90 116.67 117.42 1pez s ASP 104 Ca 0.00 -0.10 0.22 0.00 -0.52 0.00 0.00 52.55 52.15 1pez s ASP 104 Cb 0.00 0.69 1.07 0.00 -1.46 0.00 0.00 42.92 43.22 1pez s ASP 104 CO 0.00 -0.32 1.72 0.49 0.52 0.00 0.00 175.17 177.58 1pez n PHE 105 N 5.34 0.00 -0.19 -5.34 3.01 -1.26 -2.76 117.46 116.25 1pez n PHE 105 Ca -0.04 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.52 1pez n PHE 105 Cb 0.49 -0.36 0.25 0.00 -0.01 0.00 0.00 39.48 39.85 1pez n PHE 105 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1pez n LYS 106 N -1.36 2.67 -4.36 -1.08 5.02 -1.26 -4.87 118.16 112.91 1pez n LYS 106 Ca 0.09 -2.39 -0.19 0.00 -2.02 0.00 0.00 58.31 53.80 1pez n LYS 106 Cb 0.21 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1pez n LYS 106 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pez s LYS 107 N -1.07 1.39 0.48 1.97 1.02 -1.15 -4.84 119.74 117.54 1pez s LYS 107 Ca 0.39 -1.69 0.04 0.00 0.02 0.00 0.00 55.97 54.73 1pez s LYS 107 Cb 0.21 -0.88 0.02 0.00 -0.52 0.00 0.00 37.83 36.65 1pez s LYS 107 CO 0.28 0.00 0.67 0.95 -0.92 0.00 0.00 175.35 176.33 1pez s THR 108 N -3.20 3.10 -0.50 2.17 -4.23 -1.26 -0.79 115.64 110.93 1pez s THR 108 Ca 0.27 -0.77 -0.22 0.00 -1.18 0.00 0.00 61.69 59.79 1pez s THR 108 Cb 0.04 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.81 1pez s THR 108 CO 0.09 -0.07 0.76 0.21 -0.54 0.00 0.00 174.62 175.07 1pez s ASN 109 N -4.35 6.31 0.59 3.99 3.84 0.17 -3.27 114.94 122.22 1pez s ASN 109 Ca 0.54 -0.51 0.29 0.00 0.21 0.00 0.00 52.86 53.39 1pez s ASN 109 Cb -0.10 -2.36 1.39 0.00 -0.55 0.00 0.00 41.25 39.63 1pez s ASN 109 CO 0.36 -0.99 1.79 1.55 -2.79 0.00 0.00 177.10 177.02 1pez h PRO 110 N 9.08 0.00 -0.40 0.43 0.13 -1.91 0.20 132.00 139.53 1pez h PRO 110 Ca -0.26 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1pez h PRO 110 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1pez h PRO 110 CO 0.99 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.62 1pez h ALA 111 N 1.29 1.02 0.21 -0.56 0.00 -1.92 -3.01 119.26 116.29 1pez h ALA 111 Ca 0.28 -0.32 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 1pez h ALA 111 Cb 1.55 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 19.20 1pez h ALA 111 CO -0.00 0.59 -1.51 1.88 0.00 0.00 0.00 179.25 180.21 1pez h TYR 112 N 0.65 0.80 0.00 0.00 0.05 -0.93 -3.43 116.97 114.11 1pez h TYR 112 Ca 0.11 -0.59 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1pez h TYR 112 Cb 0.61 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1pez h TYR 112 CO 0.03 1.52 0.00 0.41 -1.05 0.00 0.00 178.16 179.07 1pez n GLY 113 N 1.71 -1.62 4.01 3.88 0.00 -0.53 -1.27 105.19 111.38 1pez n GLY 113 Ca -0.17 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 1pez n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pez s THR 114 N -2.09 2.09 0.17 2.61 -4.23 -1.26 -3.88 115.64 109.05 1pez s THR 114 Ca 0.00 -0.76 -0.15 0.00 -1.18 0.00 0.00 61.69 59.61 1pez s THR 114 Cb 0.00 -2.34 0.05 0.00 1.34 0.00 0.00 72.50 71.55 1pez s THR 114 CO 0.00 0.00 1.77 0.40 -0.54 0.00 0.00 174.62 176.25 1pez h ILE 115 N -0.29 0.93 -0.99 2.99 1.08 -1.98 -0.98 117.51 118.27 1pez h ILE 115 Ca -0.33 -0.13 0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1pez h ILE 115 Cb 1.27 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 35.47 1pez h ILE 115 CO 0.39 0.07 0.65 0.00 -0.69 0.00 0.00 178.15 178.57 1pez h ALA 116 N 1.25 1.33 -0.15 1.87 0.00 -1.99 0.41 119.26 121.99 1pez h ALA 116 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pez h ALA 116 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pez h ALA 116 CO -0.16 0.52 0.08 -0.44 0.00 0.00 0.00 179.25 179.25 1pez h ASP 117 N 1.23 0.18 -0.95 0.00 3.32 -1.69 0.03 116.42 118.54 1pez h ASP 117 Ca 0.40 -0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.45 1pez h ASP 117 Cb 0.04 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.47 1pez h ASP 117 CO -0.14 0.21 0.60 0.15 -1.72 0.00 0.00 179.24 178.35 1pez h PHE 118 N 0.14 1.11 -0.67 4.55 3.57 -0.20 0.16 116.94 125.59 1pez h PHE 118 Ca 0.05 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1pez h PHE 118 Cb 0.07 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 1pez h PHE 118 CO -0.04 0.54 0.25 1.96 -2.23 0.00 0.00 178.31 178.79 1pez h GLN 119 N 1.06 1.01 -0.16 1.11 4.20 -0.48 -1.10 115.11 120.76 1pez h GLN 119 Ca 0.43 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 1pez h GLN 119 Cb 0.25 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1pez h GLN 119 CO -0.20 0.85 -0.35 -0.91 -0.67 0.00 0.00 178.83 177.55 1pez h ASN 120 N 0.95 0.35 -0.40 1.46 2.35 0.37 -1.59 115.58 119.07 1pez h ASN 120 Ca 0.22 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1pez h ASN 120 Cb 0.23 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1pez h ASN 120 CO -0.02 0.68 0.07 0.25 -1.65 0.00 0.00 177.43 176.77 1pez h LEU 121 N 0.29 0.62 -0.60 1.61 5.85 -0.28 0.66 115.31 123.46 1pez h LEU 121 Ca 0.03 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1pez h LEU 121 Cb 0.76 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1pez h LEU 121 CO 0.06 0.72 0.35 0.40 -0.34 0.00 0.00 178.44 179.62 1pez h ILE 122 N 0.51 1.19 -0.22 4.05 1.08 -0.98 -0.72 117.51 122.41 1pez h ILE 122 Ca 0.12 -0.44 -0.04 0.00 -0.39 0.00 0.00 64.86 64.11 1pez h ILE 122 Cb 0.35 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1pez h ILE 122 CO 0.01 0.20 -0.02 0.00 -0.69 0.00 0.00 178.15 177.65 1pez h ALA 123 N 1.17 0.30 -0.23 1.87 0.00 -1.10 -1.04 119.26 120.22 1pez h ALA 123 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1pez h ALA 123 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1pez h ALA 123 CO -0.04 0.04 0.10 0.00 0.00 0.00 0.00 179.25 179.36 1pez h ALA 124 N 0.78 0.30 0.27 0.00 0.00 -0.77 0.97 119.26 120.82 1pez h ALA 124 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pez h ALA 124 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pez h ALA 124 CO 0.01 -0.12 -0.20 0.00 0.00 0.00 0.00 179.25 178.94 1pez h ALA 125 N 0.95 -0.46 -0.40 0.00 0.00 -1.12 -2.58 119.26 115.65 1pez h ALA 125 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pez h ALA 125 Cb 0.15 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1pez h ALA 125 CO -0.01 -0.78 0.16 0.45 0.00 0.00 0.00 179.25 179.07 1pez h HIS 126 N -0.48 0.55 0.00 0.00 3.86 -1.12 0.63 115.15 118.59 1pez h HIS 126 Ca -0.02 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1pez h HIS 126 Cb 0.42 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1pez h HIS 126 CO -0.12 0.44 -0.04 0.00 0.86 0.00 0.00 177.93 179.06 1pez h ALA 127 N 1.62 1.15 -0.36 2.45 0.00 -0.48 -1.06 119.26 122.57 1pez h ALA 127 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pez h ALA 127 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pez h ALA 127 CO -0.01 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.92 1pez n LYS 128 N -3.35 3.43 -3.71 0.00 4.76 -0.34 -4.96 118.16 113.98 1pez n LYS 128 Ca -0.02 -2.86 -0.26 0.00 -2.87 0.00 0.00 58.31 52.30 1pez n LYS 128 Cb 0.18 -1.90 0.06 0.00 -1.84 0.00 0.00 35.03 31.53 1pez n LYS 128 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1pez n ASN 129 N -0.07 -5.20 -4.19 4.39 3.02 -0.40 -4.99 115.26 107.82 1pez n ASN 129 Ca 0.22 -0.65 -0.33 0.00 -0.03 0.00 0.00 54.58 53.79 1pez n ASN 129 Cb 0.93 -4.55 -0.16 0.00 -0.61 0.00 0.00 39.78 35.39 1pez n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pez s ILE 130 N -3.34 2.35 0.58 2.41 1.01 0.07 -4.77 121.20 119.52 1pez s ILE 130 Ca 0.54 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1pez s ILE 130 Cb -0.25 -1.99 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1pez s ILE 130 CO 0.77 0.52 1.03 -0.54 0.00 0.00 0.00 174.94 176.72 1pez s LYS 131 N 1.07 3.54 -0.14 2.79 1.02 -0.59 -3.35 119.74 124.08 1pez s LYS 131 Ca -0.01 1.00 0.01 0.00 0.02 0.00 0.00 55.97 56.99 1pez s LYS 131 Cb -0.14 -2.07 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1pez s LYS 131 CO -0.06 -0.61 -0.16 0.08 -0.92 0.00 0.00 175.35 173.68 1pez s VAL 132 N -2.73 1.70 -0.09 3.17 1.01 -1.26 -1.40 120.40 120.81 1pez s VAL 132 Ca 0.60 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 1pez s VAL 132 Cb -0.13 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1pez s VAL 132 CO 0.40 0.48 -0.05 -0.63 0.00 0.00 0.00 175.10 175.30 1pez s ILE 133 N 1.25 3.83 0.09 2.22 1.01 0.15 -0.67 121.20 129.07 1pez s ILE 133 Ca 0.01 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.32 1pez s ILE 133 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1pez s ILE 133 CO -0.08 0.58 -0.20 0.27 0.00 0.00 0.00 174.94 175.51 1pez s ILE 134 N -0.62 2.67 0.28 2.92 -4.36 -1.03 -0.93 121.20 120.14 1pez s ILE 134 Ca 0.09 -1.43 -0.28 0.00 -0.26 0.00 0.00 60.65 58.78 1pez s ILE 134 Cb -0.12 -2.17 -0.09 0.00 1.25 0.00 0.00 42.46 41.33 1pez s ILE 134 CO 0.02 0.20 0.96 -0.62 0.24 0.00 0.00 174.94 175.74 1pez s ASP 135 N -1.82 7.45 -0.05 4.36 -1.08 -0.86 -1.09 116.67 123.59 1pez s ASP 135 Ca 0.16 1.93 -0.02 0.00 -0.52 0.00 0.00 52.55 54.10 1pez s ASP 135 Cb -0.10 -2.60 0.03 0.00 -1.46 0.00 0.00 42.92 38.79 1pez s ASP 135 CO 0.07 0.01 0.07 0.12 0.52 0.00 0.00 175.17 175.97 1pez s PHE 136 N -1.38 0.03 -0.72 -5.34 5.36 -0.55 -4.04 117.98 111.33 1pez s PHE 136 Ca 0.46 0.30 0.04 0.00 -0.96 0.00 0.00 56.93 56.77 1pez s PHE 136 Cb -0.23 -0.45 0.20 0.00 -0.34 0.00 0.00 43.02 42.19 1pez s PHE 136 CO 0.29 -0.20 0.60 0.00 -1.46 0.00 0.00 175.22 174.46 1pez n ALA 137 N 5.29 3.64 1.61 11.12 0.00 -1.26 -1.91 120.51 139.00 1pez n ALA 137 Ca -0.04 -4.60 0.09 0.00 0.00 0.00 0.00 53.44 48.90 1pez n ALA 137 Cb 0.50 -1.11 0.56 0.00 0.00 0.00 0.00 19.45 19.40 1pez n ALA 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pez n PRO 138 N 1.74 0.81 -0.02 0.00 -0.04 -1.26 -3.72 135.00 132.51 1pez n PRO 138 Ca 0.22 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1pez n PRO 138 Cb 0.36 -1.37 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 1pez n PRO 138 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1pez h ASN 139 N 0.00 0.68 -5.24 3.54 -1.24 -1.91 -3.45 115.58 107.96 1pez h ASN 139 Ca 0.00 -0.34 -0.10 0.00 0.71 0.00 0.00 56.30 56.57 1pez h ASN 139 Cb 0.00 -0.19 -0.06 0.00 0.73 0.00 0.00 38.32 38.79 1pez h ASN 139 CO 0.00 1.06 -0.02 -1.38 -1.29 0.00 0.00 177.43 175.80 1pez s HIS 140 N -4.09 0.45 0.00 0.67 -3.43 -1.24 -1.52 115.29 106.13 1pez s HIS 140 Ca -0.08 -0.85 0.00 0.00 -0.80 0.00 0.00 55.06 53.33 1pez s HIS 140 Cb 0.11 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 1pez s HIS 140 CO 0.85 -1.18 0.00 0.25 -2.00 0.00 0.00 174.74 172.65 1pez n THR 141 N -0.47 0.00 -3.99 -5.38 -2.24 -1.01 -4.59 114.28 96.61 1pez n THR 141 Ca -0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1pez n THR 141 Cb 0.61 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 1pez n THR 141 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pez s SER 142 N -0.94 0.50 0.22 3.42 1.04 -1.25 -1.23 113.70 115.47 1pez s SER 142 Ca 0.00 -1.30 -0.32 0.00 0.48 0.00 0.00 55.95 54.81 1pez s SER 142 Cb 0.00 0.71 -0.13 0.00 0.10 0.00 0.00 66.02 66.70 1pez s SER 142 CO 0.00 -1.40 1.45 -2.65 0.98 0.00 0.00 173.24 171.63 1pez n PRO 143 N -0.53 2.09 -3.77 4.02 -0.02 -1.26 -1.63 135.00 133.90 1pez n PRO 143 Ca -0.02 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1pez n PRO 143 Cb 0.61 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1pez n PRO 143 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pez s ALA 144 N 0.16 -0.52 -0.12 3.55 0.00 -0.00 -3.33 121.76 121.49 1pez s ALA 144 Ca 0.70 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 1pez s ALA 144 Cb -0.65 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1pez s ALA 144 CO 0.47 -0.55 -0.03 0.45 0.00 0.00 0.00 175.76 176.11 1pez s SER 145 N -2.76 2.19 0.12 0.00 0.15 -1.26 -4.81 113.70 107.33 1pez s SER 145 Ca 0.03 -0.37 -0.23 0.00 0.70 0.00 0.00 55.95 56.08 1pez s SER 145 Cb 0.03 -0.67 -0.06 0.00 -1.71 0.00 0.00 66.02 63.61 1pez s SER 145 CO -0.11 -0.19 1.68 -1.28 1.20 0.00 0.00 173.24 174.54 1pez h SER 146 N 8.23 -0.42 -2.14 5.45 0.87 -1.98 -3.01 113.55 120.56 1pez h SER 146 Ca -0.23 0.07 -0.79 0.00 -1.23 0.00 0.00 61.79 59.60 1pez h SER 146 Cb 1.12 0.18 -0.26 0.00 -0.44 0.00 0.00 62.40 63.00 1pez h SER 146 CO 0.34 -0.19 1.09 -0.90 -0.53 0.00 0.00 176.83 176.64 1pez n ASP 147 N -5.28 7.42 0.00 6.23 5.75 -1.26 -4.34 116.55 125.07 1pez n ASP 147 Ca -0.05 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.04 1pez n ASP 147 Cb 0.20 -1.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.13 1pez n ASP 147 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1pez n GLN 148 N -0.09 0.00 0.05 0.11 7.27 -1.14 -5.04 117.38 118.54 1pez n GLN 148 Ca 0.49 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.59 1pez n GLN 148 Cb 0.26 0.00 0.14 0.00 2.41 0.00 0.00 30.24 33.05 1pez n GLN 148 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1pez n PRO 149 N 0.00 0.03 0.09 3.69 -0.04 -1.23 -1.29 135.00 136.25 1pez n PRO 149 Ca 0.00 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1pez n PRO 149 Cb 0.00 -1.74 0.35 0.00 -0.04 0.00 0.00 33.50 32.07 1pez n PRO 149 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1pez n SER 150 N -1.62 0.79 -4.69 3.54 3.41 -1.26 -4.25 113.62 109.53 1pez n SER 150 Ca -0.00 0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 58.65 1pez n SER 150 Cb 0.13 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 1pez n SER 150 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1pez s PHE 151 N -3.12 2.61 0.00 7.33 5.36 -0.41 -4.78 117.98 124.97 1pez s PHE 151 Ca 0.10 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 1pez s PHE 151 Cb 0.13 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 1pez s PHE 151 CO 0.63 -3.30 0.00 0.00 -1.46 0.00 0.00 175.22 171.09 1pez n ALA 152 N 5.45 0.00 -1.33 11.12 0.00 -1.26 -1.65 120.51 132.84 1pez n ALA 152 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 1pez n ALA 152 Cb 0.42 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.03 1pez n ALA 152 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pez n GLU 153 N 11.04 2.28 -1.92 0.00 1.02 -1.26 -4.90 120.64 126.90 1pez n GLU 153 Ca 0.00 -3.14 -0.10 0.00 -0.02 0.00 0.00 57.16 53.90 1pez n GLU 153 Cb 0.00 -2.12 -0.02 0.00 -0.02 0.00 0.00 31.44 29.28 1pez n GLU 153 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1pez n ASN 154 N -1.09 -2.92 -2.32 1.62 4.05 -0.66 -0.19 115.26 113.75 1pez n ASN 154 Ca 0.54 0.25 -0.20 0.00 0.45 0.00 0.00 54.58 55.62 1pez n ASN 154 Cb 1.34 -2.66 -0.02 0.00 1.23 0.00 0.00 39.78 39.67 1pez n ASN 154 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pez n GLY 155 N -0.48 -0.26 3.77 8.20 0.00 -1.21 -1.28 105.19 113.93 1pez n GLY 155 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1pez n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pez s ARG 156 N -4.91 3.84 -0.13 1.61 0.52 0.73 -4.46 118.95 116.15 1pez s ARG 156 Ca 0.00 2.33 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 1pez s ARG 156 Cb 0.00 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.72 1pez s ARG 156 CO 0.00 -0.66 -0.13 -1.17 0.02 0.00 0.00 175.30 173.36 1pez s LEU 157 N -2.54 2.71 0.09 2.53 2.96 -0.20 -4.59 118.68 119.65 1pez s LEU 157 Ca 0.58 -0.33 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 1pez s LEU 157 Cb -0.42 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1pez s LEU 157 CO 0.54 0.17 -0.22 -0.31 -1.32 0.00 0.00 176.35 175.21 1pez s TYR 158 N 0.31 2.44 -0.57 5.38 1.51 0.26 -1.00 117.35 125.67 1pez s TYR 158 Ca -0.10 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 1pez s TYR 158 Cb -0.16 -1.35 0.15 0.00 -0.11 0.00 0.00 41.96 40.49 1pez s TYR 158 CO 0.06 0.30 0.39 0.34 -1.11 0.00 0.00 175.55 175.52 1pez s ASP 159 N -1.80 5.35 -1.36 2.29 2.15 0.24 -4.20 116.67 119.34 1pez s ASP 159 Ca 0.15 -2.57 -0.07 0.00 0.43 0.00 0.00 52.55 50.49 1pez s ASP 159 Cb -0.10 -1.88 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 1pez s ASP 159 CO 0.06 -0.45 0.44 -3.20 -0.17 0.00 0.00 175.17 171.85 1pez n ASN 160 N 3.90 -1.32 0.00 -0.34 5.15 -1.26 -1.74 115.26 119.64 1pez n ASN 160 Ca 0.04 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 1pez n ASN 160 Cb 0.39 -2.74 0.00 0.00 -0.53 0.00 0.00 39.78 36.91 1pez n ASN 160 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pez n GLY 161 N -2.04 3.10 3.69 8.20 0.00 -1.26 -5.03 105.19 111.84 1pez n GLY 161 Ca -0.26 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1pez n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pez s THR 162 N -0.89 4.51 0.09 2.61 2.01 -0.71 -4.99 115.64 118.26 1pez s THR 162 Ca 0.00 1.80 -0.31 0.00 0.31 0.00 0.00 61.69 63.50 1pez s THR 162 Cb 0.00 -4.16 -0.07 0.00 0.01 0.00 0.00 72.50 68.28 1pez s THR 162 CO 0.00 -0.00 1.35 -0.22 -0.69 0.00 0.00 174.62 175.06 1pez s LEU 163 N 2.12 4.36 -0.20 4.42 2.96 -1.26 0.82 118.68 131.89 1pez s LEU 163 Ca 0.52 2.23 0.01 0.00 -0.22 0.00 0.00 54.13 56.67 1pez s LEU 163 Cb -0.22 -3.58 -0.21 0.00 0.50 0.00 0.00 46.19 42.69 1pez s LEU 163 CO 0.20 -0.63 0.01 0.18 -1.32 0.00 0.00 176.35 174.79 1pez n LEU 164 N 4.18 2.60 0.00 -0.68 4.77 -0.17 -4.90 117.00 122.80 1pez n LEU 164 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1pez n LEU 164 Cb 0.43 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1pez n LEU 164 CO 0.58 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 1pez n GLY 165 N 2.12 1.82 3.69 -0.72 0.00 -1.20 -5.02 105.19 105.88 1pez n GLY 165 Ca -0.40 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 1pez n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pez s GLY 166 N 0.00 2.98 0.25 -0.02 0.00 -1.26 -1.03 107.32 108.24 1pez s GLY 166 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 44.72 44.34 1pez s GLY 166 CO 0.00 -2.07 1.58 -1.82 0.00 0.00 0.00 173.10 170.78 1pez h TYR 167 N 1.44 0.24 -3.46 1.90 3.20 -1.41 -3.37 116.97 115.51 1pez h TYR 167 Ca -0.40 -0.09 -0.54 0.00 3.14 0.00 0.00 58.73 60.84 1pez h TYR 167 Cb 1.31 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 1pez h TYR 167 CO 1.70 0.74 0.19 0.99 -1.64 0.00 0.00 178.16 180.13 1pez s THR 168 N -3.74 4.64 -1.28 1.81 2.01 -1.26 -3.73 115.64 114.10 1pez s THR 168 Ca -0.03 1.69 -0.06 0.00 0.31 0.00 0.00 61.69 63.59 1pez s THR 168 Cb 0.12 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1pez s THR 168 CO 0.79 0.39 0.84 0.59 -0.69 0.00 0.00 174.62 176.53 1pez n ASN 169 N 2.60 -5.78 -3.61 3.53 5.03 -1.26 -4.85 115.26 110.92 1pez n ASN 169 Ca -0.02 -0.38 -0.41 0.00 0.87 0.00 0.00 54.58 54.63 1pez n ASN 169 Cb 0.50 -4.49 -0.04 0.00 -1.02 0.00 0.00 39.78 34.73 1pez n ASN 169 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1pez n ASP 170 N -2.29 3.33 0.08 6.41 2.03 -1.24 -4.63 116.55 120.23 1pez n ASP 170 Ca -0.04 -2.69 -0.01 0.00 0.52 0.00 0.00 54.79 52.57 1pez n ASP 170 Cb 0.58 -1.29 0.28 0.00 -0.72 0.00 0.00 41.12 39.97 1pez n ASP 170 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1pez h THR 171 N 4.20 1.25 0.00 5.18 1.35 -1.91 -2.17 112.91 120.81 1pez h THR 171 Ca 0.49 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1pez h THR 171 Cb 0.60 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1pez h THR 171 CO 1.89 0.36 0.00 1.56 -0.25 0.00 0.00 175.52 179.08 1pez h GLN 172 N 0.28 0.00 -4.04 4.72 4.20 -1.96 -3.47 115.11 114.84 1pez h GLN 172 Ca 0.04 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.54 1pez h GLN 172 Cb 0.60 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.47 1pez h GLN 172 CO 0.04 0.00 -0.43 -1.71 -0.67 0.00 0.00 178.83 176.06 1pez n ASN 173 N -2.88 -3.20 0.15 1.46 5.15 -0.82 -4.93 115.26 110.19 1pez n ASN 173 Ca 0.01 -0.35 0.01 0.00 -0.60 0.00 0.00 54.58 53.66 1pez n ASN 173 Cb 0.32 -3.23 0.21 0.00 -0.53 0.00 0.00 39.78 36.55 1pez n ASN 173 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1pez h LEU 174 N -1.35 0.00 -9.86 1.20 3.38 -1.91 -3.44 115.31 103.33 1pez h LEU 174 Ca -0.35 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.02 1pez h LEU 174 Cb 1.21 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 1pez h LEU 174 CO 0.31 0.54 -0.52 -0.36 0.09 0.00 0.00 178.44 178.50 1pez s PHE 175 N -3.56 2.42 0.14 1.13 0.40 -1.26 0.15 117.98 117.40 1pez s PHE 175 Ca -0.01 -0.68 -0.14 0.00 -0.60 0.00 0.00 56.93 55.50 1pez s PHE 175 Cb 0.12 -1.85 -0.07 0.00 0.51 0.00 0.00 43.02 41.73 1pez s PHE 175 CO 0.74 0.24 0.53 -1.01 0.70 0.00 0.00 175.22 176.42 1pez s HIS 176 N -2.69 3.61 -0.42 0.36 3.76 0.10 -4.66 115.29 115.35 1pez s HIS 176 Ca 0.34 1.04 0.10 0.00 -0.15 0.00 0.00 55.06 56.39 1pez s HIS 176 Cb 0.05 -2.35 0.39 0.00 1.11 0.00 0.00 32.58 31.79 1pez s HIS 176 CO 0.18 0.44 0.92 0.72 -0.85 0.00 0.00 174.74 176.16 1pez n HIS 177 N 0.84 2.11 -0.43 1.40 8.25 -1.26 -4.68 115.22 121.44 1pez n HIS 177 Ca -0.06 -3.45 0.06 0.00 -0.26 0.00 0.00 57.72 54.01 1pez n HIS 177 Cb 0.52 -0.35 0.16 0.00 1.12 0.00 0.00 29.99 31.44 1pez n HIS 177 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pez n ASN 178 N -0.11 3.02 0.00 0.41 3.02 -1.26 -5.10 115.26 115.25 1pez n ASN 178 Ca 0.26 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1pez n ASN 178 Cb 0.63 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1pez n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pez n GLY 179 N -0.04 -1.73 3.67 7.41 0.00 -1.26 -4.86 105.19 108.39 1pez n GLY 179 Ca 0.13 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1pez n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pez s GLY 180 N -0.09 1.90 0.38 -0.02 0.00 -1.26 -0.97 107.32 107.25 1pez s GLY 180 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 44.72 43.43 1pez s GLY 180 CO 0.00 -1.07 0.84 -1.08 0.00 0.00 0.00 173.10 171.79 1pez s THR 181 N -1.27 4.53 -0.43 0.90 -1.32 -0.50 -4.80 115.64 112.76 1pez s THR 181 Ca 0.24 1.22 0.08 0.00 -1.21 0.00 0.00 61.69 62.03 1pez s THR 181 Cb -0.12 -3.60 0.21 0.00 -1.51 0.00 0.00 72.50 67.48 1pez s THR 181 CO 0.17 -0.26 1.17 -0.90 -2.21 0.00 0.00 174.62 172.59 1pez n ASP 182 N -0.51 2.63 -0.99 8.08 5.75 -1.26 -4.76 116.55 125.50 1pez n ASP 182 Ca 0.05 -2.21 -0.13 0.00 -0.01 0.00 0.00 54.79 52.49 1pez n ASP 182 Cb 0.54 -0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 1pez n ASP 182 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1pez n PHE 183 N -0.15 0.00 -0.03 2.11 3.72 -1.26 -4.86 117.46 116.98 1pez n PHE 183 Ca 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.47 1pez n PHE 183 Cb 0.43 -2.83 0.24 0.00 -0.94 0.00 0.00 39.48 36.38 1pez n PHE 183 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1pez h SER 184 N 0.00 0.57 -5.15 4.37 4.64 -1.94 -3.45 113.55 112.59 1pez h SER 184 Ca -0.26 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 60.81 1pez h SER 184 Cb 1.17 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 62.95 1pez h SER 184 CO 0.39 0.67 -0.56 0.42 -0.87 0.00 0.00 176.83 176.87 1pez s THR 185 N -4.89 0.17 0.20 2.95 -4.23 -1.26 -5.03 115.64 103.54 1pez s THR 185 Ca -0.08 -1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 1pez s THR 185 Cb 0.15 -1.18 0.11 0.00 1.34 0.00 0.00 72.50 72.92 1pez s THR 185 CO 0.78 -0.76 1.79 0.74 -0.54 0.00 0.00 174.62 176.64 1pez h THR 186 N 3.34 0.95 -0.76 3.99 2.02 -1.95 -1.11 112.91 119.40 1pez h THR 186 Ca -0.33 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1pez h THR 186 Cb 1.17 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1pez h THR 186 CO 0.57 0.10 0.49 -0.08 0.37 0.00 0.00 175.52 176.98 1pez h GLU 187 N 0.57 0.96 -0.50 6.66 4.81 -1.96 -2.09 114.58 123.03 1pez h GLU 187 Ca 0.26 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1pez h GLU 187 Cb 0.17 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1pez h GLU 187 CO -0.18 0.64 0.12 -0.97 -0.73 0.00 0.00 179.01 177.89 1pez h ASN 188 N 0.99 0.70 0.89 1.04 -0.73 -1.76 -2.48 115.58 114.24 1pez h ASN 188 Ca 0.29 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1pez h ASN 188 Cb -0.07 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.34 1pez h ASN 188 CO -0.08 0.70 -0.03 0.61 -0.37 0.00 0.00 177.43 178.26 1pez n GLY 189 N -0.91 -1.44 0.13 1.57 0.00 -0.49 -3.37 105.19 100.67 1pez n GLY 189 Ca 0.04 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1pez n GLY 189 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pez n ILE 190 N -1.46 1.58 -0.78 -0.61 5.41 -0.85 -4.53 119.36 118.14 1pez n ILE 190 Ca 0.08 -0.43 0.08 0.00 1.00 0.00 0.00 62.75 63.48 1pez n ILE 190 Cb 0.32 -1.75 0.39 0.00 -0.71 0.00 0.00 39.64 37.89 1pez n ILE 190 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1pez n TYR 191 N -3.82 1.85 -4.18 1.39 4.01 -1.02 -4.65 117.16 110.74 1pez n TYR 191 Ca -0.42 -0.67 -0.14 0.00 -0.16 0.00 0.00 57.90 56.50 1pez n TYR 191 Cb 0.91 -0.40 -0.11 0.00 -0.31 0.00 0.00 39.34 39.43 1pez n TYR 191 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1pez s LYS 192 N -2.37 0.86 0.46 -0.72 1.02 -1.22 -4.46 119.74 113.31 1pez s LYS 192 Ca 0.53 -1.17 -0.24 0.00 0.02 0.00 0.00 55.97 55.12 1pez s LYS 192 Cb 0.38 -0.55 -0.07 0.00 -0.52 0.00 0.00 37.83 37.07 1pez s LYS 192 CO 0.20 0.08 1.32 -0.80 -0.92 0.00 0.00 175.35 175.23 1pez s ASN 193 N -2.46 5.92 -0.53 2.83 0.01 -0.14 -4.47 114.94 116.09 1pez s ASN 193 Ca 0.06 2.67 -0.25 0.00 -0.71 0.00 0.00 52.86 54.63 1pez s ASN 193 Cb -0.03 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 39.04 1pez s ASN 193 CO 0.00 -1.12 0.95 -0.76 -1.51 0.00 0.00 177.10 174.66 1pez s LEU 194 N -2.89 4.05 0.00 0.60 1.43 -1.26 -1.41 118.68 119.20 1pez s LEU 194 Ca 0.63 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1pez s LEU 194 Cb -0.38 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1pez s LEU 194 CO 0.47 -1.20 0.00 -1.22 0.23 0.00 0.00 176.35 174.63 1pez n TYR 195 N 7.45 0.00 -0.39 0.29 4.01 -1.26 -1.85 117.16 125.40 1pez n TYR 195 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.82 1pez n TYR 195 Cb 0.48 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.64 1pez n TYR 195 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1pez n ASP 196 N 9.18 2.81 -4.68 7.72 5.75 -1.26 -4.83 116.55 131.25 1pez n ASP 196 Ca 0.00 -2.33 -0.43 0.00 -0.01 0.00 0.00 54.79 52.03 1pez n ASP 196 Cb 0.00 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 39.81 1pez n ASP 196 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pez s LEU 197 N -1.58 4.21 -0.27 -2.12 1.43 -0.77 -0.82 118.68 118.75 1pez s LEU 197 Ca 0.22 1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 54.63 1pez s LEU 197 Cb 0.15 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 1pez s LEU 197 CO 0.09 -0.60 2.23 0.00 0.23 0.00 0.00 176.35 178.29 1pez n ALA 198 N 5.69 1.54 -2.53 4.21 0.00 -0.65 -4.05 120.51 124.73 1pez n ALA 198 Ca 0.11 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1pez n ALA 198 Cb 0.47 -2.83 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 1pez n ALA 198 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pez s ASP 199 N 8.25 6.90 0.47 0.00 2.15 -1.26 -2.39 116.67 130.79 1pez s ASP 199 Ca 1.04 1.34 -0.22 0.00 0.43 0.00 0.00 52.55 55.13 1pez s ASP 199 Cb -0.48 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.53 1pez s ASP 199 CO 0.39 -0.86 1.15 -0.76 -0.17 0.00 0.00 175.17 174.92 1pez s LEU 200 N 3.70 3.97 -0.51 -1.34 1.43 -0.57 0.00 118.68 125.36 1pez s LEU 200 Ca 0.51 2.25 -0.13 0.00 -1.03 0.00 0.00 54.13 55.73 1pez s LEU 200 Cb -0.17 -4.31 0.13 0.00 0.03 0.00 0.00 46.19 41.87 1pez s LEU 200 CO 0.15 -0.94 0.43 0.21 0.23 0.00 0.00 176.35 176.43 1pez s ASN 201 N -1.47 5.97 0.00 2.29 2.47 0.12 -4.64 114.94 119.69 1pez s ASN 201 Ca 0.65 -1.87 0.18 0.00 0.42 0.00 0.00 52.86 52.24 1pez s ASN 201 Cb -0.27 -2.12 0.91 0.00 -1.45 0.00 0.00 41.25 38.32 1pez s ASN 201 CO 0.32 -0.78 1.52 1.41 -3.72 0.00 0.00 177.10 175.86 1pez n HIS 202 N 5.07 0.00 1.02 0.43 8.25 -1.26 -1.47 115.22 127.25 1pez n HIS 202 Ca -0.11 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.48 1pez n HIS 202 Cb 0.40 -0.26 0.32 0.00 1.12 0.00 0.00 29.99 31.58 1pez n HIS 202 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1pez n ASN 203 N -1.26 0.44 -4.65 0.41 2.85 -1.26 -4.44 115.26 107.34 1pez n ASN 203 Ca 0.09 -0.16 -0.43 0.00 -0.11 0.00 0.00 54.58 53.97 1pez n ASN 203 Cb 0.13 0.11 -0.02 0.00 1.24 0.00 0.00 39.78 41.25 1pez n ASN 203 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1pez s ASN 204 N -2.97 7.03 0.37 1.20 3.84 -0.54 -4.70 114.94 119.17 1pez s ASN 204 Ca 0.12 1.27 0.11 0.00 0.21 0.00 0.00 52.86 54.57 1pez s ASN 204 Cb 0.18 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 39.23 1pez s ASN 204 CO 0.66 -0.69 1.87 -1.28 -2.79 0.00 0.00 177.10 174.87 1pez h SER 205 N 7.60 0.59 -0.38 -4.21 0.87 -1.87 -0.33 113.55 115.82 1pez h SER 205 Ca -0.20 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 1pez h SER 205 Cb 1.06 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1pez h SER 205 CO 0.98 0.29 0.08 0.74 -0.53 0.00 0.00 176.83 178.38 1pez h THR 206 N 0.62 1.23 -0.41 2.23 2.02 -1.93 -1.65 112.91 115.01 1pez h THR 206 Ca 0.44 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 1pez h THR 206 Cb 0.79 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1pez h THR 206 CO -0.19 0.28 -0.00 0.58 0.37 0.00 0.00 175.52 176.55 1pez h VAL 207 N 0.47 1.26 0.14 3.16 2.07 -1.58 -1.36 116.25 120.41 1pez h VAL 207 Ca 0.12 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1pez h VAL 207 Cb 0.34 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1pez h VAL 207 CO 0.00 0.35 -0.17 -0.78 0.02 0.00 0.00 177.57 176.99 1pez h ASP 208 N 0.56 -0.47 -0.57 0.57 3.58 -0.98 -1.64 116.42 117.46 1pez h ASP 208 Ca 0.12 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.51 1pez h ASP 208 Cb 0.49 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1pez h ASP 208 CO 0.02 -0.26 -0.05 0.58 -2.88 0.00 0.00 179.24 176.65 1pez h VAL 209 N -0.36 1.27 0.14 2.25 2.07 -1.32 -2.76 116.25 117.53 1pez h VAL 209 Ca 0.01 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1pez h VAL 209 Cb 0.36 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1pez h VAL 209 CO -0.07 0.43 -0.20 0.22 0.02 0.00 0.00 177.57 177.97 1pez h TYR 210 N 0.95 -0.54 -0.70 1.57 3.20 -1.06 -1.02 116.97 119.37 1pez h TYR 210 Ca 0.16 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1pez h TYR 210 Cb 0.61 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 1pez h TYR 210 CO 0.04 -0.30 0.37 -0.07 -1.64 0.00 0.00 178.16 176.56 1pez h LEU 211 N -0.40 0.89 -1.07 2.82 3.38 -1.30 0.42 115.31 120.05 1pez h LEU 211 Ca 0.02 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1pez h LEU 211 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1pez h LEU 211 CO -0.09 0.74 -0.08 0.11 0.09 0.00 0.00 178.44 179.21 1pez h LYS 212 N 0.96 0.57 -0.30 1.13 1.57 -1.33 -1.63 116.57 117.55 1pez h LYS 212 Ca 0.24 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1pez h LYS 212 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1pez h LYS 212 CO -0.04 0.65 -0.41 -0.44 -0.57 0.00 0.00 179.45 178.64 1pez h ASP 213 N 0.53 0.78 0.09 0.86 3.32 -0.73 -3.02 116.42 118.25 1pez h ASP 213 Ca 0.10 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1pez h ASP 213 Cb 0.46 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1pez h ASP 213 CO 0.02 1.09 -0.10 0.00 -1.72 0.00 0.00 179.24 178.53 1pez h ALA 214 N 0.94 -0.19 -0.37 3.45 0.00 -0.20 -2.58 119.26 120.31 1pez h ALA 214 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pez h ALA 214 Cb 0.96 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1pez h ALA 214 CO 0.09 -0.62 0.14 0.97 0.00 0.00 0.00 179.25 179.82 1pez h ILE 215 N -0.22 1.15 -0.95 0.00 6.09 -1.36 -1.95 117.51 120.26 1pez h ILE 215 Ca 0.01 -0.47 0.05 0.00 -1.37 0.00 0.00 64.86 63.07 1pez h ILE 215 Cb 0.22 0.72 -0.06 0.00 0.47 0.00 0.00 36.82 38.18 1pez h ILE 215 CO -0.04 0.18 0.62 0.11 -3.07 0.00 0.00 178.15 175.95 1pez h LYS 216 N 0.52 1.11 -0.52 2.19 1.57 -1.33 0.26 116.57 120.37 1pez h LYS 216 Ca 0.13 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1pez h LYS 216 Cb 0.13 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1pez h LYS 216 CO -0.01 0.74 0.31 1.98 -0.57 0.00 0.00 179.45 181.90 1pez h MET 217 N 1.15 0.61 -0.07 3.15 4.05 -1.07 0.61 114.93 123.36 1pez h MET 217 Ca 0.39 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.65 1pez h MET 217 Cb 0.09 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1pez h MET 217 CO -0.13 0.40 -0.51 -1.49 0.23 0.00 0.00 176.91 175.41 1pez h TRP 218 N 0.62 0.23 -0.53 1.39 4.06 -1.22 -2.05 115.95 118.45 1pez h TRP 218 Ca 0.21 -0.07 -0.09 0.00 2.06 0.00 0.00 58.89 60.99 1pez h TRP 218 Cb 0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 1pez h TRP 218 CO -0.06 0.66 -0.04 -0.07 -3.56 0.00 0.00 178.44 175.36 1pez h LEU 219 N 0.15 0.93 -1.34 -4.49 3.38 -0.40 -2.30 115.31 111.24 1pez h LEU 219 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pez h LEU 219 Cb 0.95 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1pez h LEU 219 CO 0.08 1.01 0.00 0.44 0.09 0.00 0.00 178.44 180.06 1pez h ASP 220 N 0.86 0.00 0.79 -0.43 3.32 -0.48 -2.00 116.42 118.48 1pez h ASP 220 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1pez h ASP 220 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1pez h ASP 220 CO 0.03 0.00 -0.11 0.18 -1.72 0.00 0.00 179.24 177.62 1pez n LEU 221 N -2.99 0.15 0.00 1.55 4.77 -0.81 -4.94 117.00 114.72 1pez n LEU 221 Ca 0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1pez n LEU 221 Cb 0.30 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1pez n LEU 221 CO 0.27 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1pez n GLY 222 N 1.46 0.99 3.69 -0.72 0.00 -0.75 -4.93 105.19 104.93 1pez n GLY 222 Ca 0.08 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1pez n GLY 222 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pez n ILE 223 N -2.01 1.64 0.51 -0.61 -5.35 -1.18 -4.89 119.36 107.48 1pez n ILE 223 Ca 0.00 -0.17 0.05 0.00 -0.27 0.00 0.00 62.75 62.36 1pez n ILE 223 Cb 0.00 -1.16 -0.05 0.00 -1.74 0.00 0.00 39.64 36.70 1pez n ILE 223 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1pez n ASP 224 N -3.44 0.73 -3.63 7.28 8.00 0.15 -4.93 116.55 120.71 1pez n ASP 224 Ca 0.13 -0.86 -0.04 0.00 0.71 0.00 0.00 54.79 54.73 1pez n ASP 224 Cb 0.51 0.86 -0.01 0.00 -0.02 0.00 0.00 41.12 42.45 1pez n ASP 224 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1pez s GLY 225 N -1.88 -0.34 -0.01 0.44 0.00 -1.13 -3.55 107.32 100.84 1pez s GLY 225 Ca 0.06 0.65 0.03 0.00 0.00 0.00 0.00 44.72 45.45 1pez s GLY 225 CO 0.40 0.18 -0.08 -0.42 0.00 0.00 0.00 173.10 173.19 1pez s ILE 226 N -3.02 0.67 -0.35 0.90 1.01 0.64 -2.47 121.20 118.58 1pez s ILE 226 Ca 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1pez s ILE 226 Cb -0.00 -0.58 0.08 0.00 0.01 0.00 0.00 42.46 41.97 1pez s ILE 226 CO -0.03 0.20 0.10 -0.60 0.00 0.00 0.00 174.94 174.61 1pez s ARG 227 N -0.09 2.19 -0.01 2.79 3.00 -0.25 -1.02 118.95 125.56 1pez s ARG 227 Ca 0.02 -1.54 -0.30 0.00 -1.00 0.00 0.00 55.73 52.90 1pez s ARG 227 Cb -0.05 -3.38 -0.03 0.00 0.00 0.00 0.00 34.95 31.50 1pez s ARG 227 CO -0.00 -0.84 1.00 -1.64 0.00 0.00 0.00 175.30 173.82 1pez s MET 228 N 1.19 4.54 0.23 5.12 -1.94 0.64 -1.49 119.30 127.59 1pez s MET 228 Ca 0.02 1.45 -0.28 0.00 -1.71 0.00 0.00 55.69 55.17 1pez s MET 228 Cb -0.21 -3.46 -0.09 0.00 2.01 0.00 0.00 34.83 33.08 1pez s MET 228 CO -0.03 -0.09 0.89 0.34 -0.01 0.00 0.00 175.02 176.12 1pez s ASP 229 N 1.03 7.51 -0.73 3.03 2.15 -0.80 -0.50 116.67 128.36 1pez s ASP 229 Ca 0.52 1.83 -0.13 0.00 0.43 0.00 0.00 52.55 55.20 1pez s ASP 229 Cb -0.21 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.85 1pez s ASP 229 CO 0.27 0.13 0.25 1.33 -0.17 0.00 0.00 175.17 176.99 1pez n VAL 230 N 1.35 -1.14 0.28 1.11 0.24 -1.24 -4.74 118.33 114.19 1pez n VAL 230 Ca -0.02 -0.31 0.15 0.00 -2.04 0.00 0.00 64.34 62.12 1pez n VAL 230 Cb 0.48 -0.99 0.74 0.00 -1.47 0.00 0.00 33.84 32.59 1pez n VAL 230 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1pez h VAL 231 N -0.21 0.00 0.00 3.34 -1.51 -1.67 0.39 116.25 116.59 1pez h VAL 231 Ca -0.38 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1pez h VAL 231 Cb 0.77 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1pez h VAL 231 CO 0.32 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.83 1pez n LYS 232 N -2.60 0.29 -0.38 5.19 4.81 -1.26 -3.32 118.16 120.89 1pez n LYS 232 Ca -0.01 0.05 0.08 0.00 -0.87 0.00 0.00 58.31 57.57 1pez n LYS 232 Cb 0.14 -1.50 0.23 0.00 0.02 0.00 0.00 35.03 33.92 1pez n LYS 232 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1pez n HIS 233 N -1.33 0.74 -4.16 5.64 8.25 0.13 -4.54 115.22 119.94 1pez n HIS 233 Ca 0.11 -0.94 -0.17 0.00 -0.26 0.00 0.00 57.72 56.46 1pez n HIS 233 Cb 0.22 -0.29 -0.12 0.00 1.12 0.00 0.00 29.99 30.93 1pez n HIS 233 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1pez s MET 234 N -2.86 0.81 0.08 -0.41 -1.94 -1.21 -4.47 119.30 109.29 1pez s MET 234 Ca 0.40 -1.00 -0.33 0.00 -1.71 0.00 0.00 55.69 53.05 1pez s MET 234 Cb 0.33 -0.70 -0.12 0.00 2.01 0.00 0.00 34.83 36.35 1pez s MET 234 CO 0.07 0.14 1.75 -2.30 -0.01 0.00 0.00 175.02 174.67 1pez n PRO 235 N 1.08 2.37 -0.21 2.03 -0.02 -1.26 -4.84 135.00 134.15 1pez n PRO 235 Ca -0.20 0.86 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 1pez n PRO 235 Cb 0.55 -2.70 0.21 0.00 -0.02 0.00 0.00 33.50 31.55 1pez n PRO 235 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1pez h PHE 236 N 7.71 0.95 -0.63 6.00 0.04 -1.88 -1.51 116.94 127.62 1pez h PHE 236 Ca -0.46 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.27 1pez h PHE 236 Cb 1.25 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 39.06 1pez h PHE 236 CO 0.75 0.66 0.27 0.78 -0.60 0.00 0.00 178.31 180.17 1pez h GLY 237 N 1.03 1.00 1.08 -1.45 0.00 -1.88 -1.38 103.07 101.47 1pez h GLY 237 Ca 0.25 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1pez h GLY 237 CO -0.04 0.50 0.02 -0.25 0.00 0.00 0.00 176.54 176.76 1pez h TRP 238 N 0.88 1.18 -0.33 5.60 7.01 -1.62 -2.50 115.95 126.18 1pez h TRP 238 Ca 0.21 -0.20 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1pez h TRP 238 Cb 0.17 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 1pez h TRP 238 CO 0.01 1.03 0.03 1.96 -2.79 0.00 0.00 178.44 178.67 1pez h GLN 239 N 1.00 0.50 -0.57 2.65 4.20 -0.97 0.64 115.11 122.55 1pez h GLN 239 Ca 0.18 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1pez h GLN 239 Cb 0.54 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1pez h GLN 239 CO 0.03 0.50 0.05 -0.22 -0.67 0.00 0.00 178.83 178.52 1pez h LYS 240 N 0.48 0.97 0.00 1.46 3.64 -0.93 0.13 116.57 122.32 1pez h LYS 240 Ca 0.11 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1pez h LYS 240 Cb 0.27 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1pez h LYS 240 CO 0.00 0.95 -0.26 0.66 -2.27 0.00 0.00 179.45 178.54 1pez h SER 241 N 0.86 0.00 -0.12 4.20 4.64 -0.90 -0.30 113.55 121.93 1pez h SER 241 Ca 0.17 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1pez h SER 241 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1pez h SER 241 CO 0.02 0.26 -0.33 0.15 -0.87 0.00 0.00 176.83 176.06 1pez h PHE 242 N 0.00 0.56 -0.14 4.77 3.57 -0.07 -2.00 116.94 123.63 1pez h PHE 242 Ca -0.00 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.21 1pez h PHE 242 Cb 0.65 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1pez h PHE 242 CO 0.00 0.95 -0.22 0.52 -2.23 0.00 0.00 178.31 177.32 1pez h MET 243 N 0.02 0.25 -0.36 1.11 2.86 -0.36 -2.07 114.93 116.38 1pez h MET 243 Ca -0.01 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1pez h MET 243 Cb 0.94 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1pez h MET 243 CO 0.07 0.47 -0.35 0.00 1.06 0.00 0.00 176.91 178.16 1pez h ALA 244 N 1.54 0.71 -0.65 6.32 0.00 -1.01 0.14 119.26 126.30 1pez h ALA 244 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1pez h ALA 244 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1pez h ALA 244 CO 0.04 0.66 0.36 0.00 0.00 0.00 0.00 179.25 180.31 1pez h ALA 245 N 0.92 0.84 0.12 0.00 0.00 -0.93 0.25 119.26 120.45 1pez h ALA 245 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pez h ALA 245 Cb 0.91 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1pez h ALA 245 CO 0.08 0.35 -0.06 0.28 0.00 0.00 0.00 179.25 179.90 1pez h VAL 246 N 0.89 1.04 0.00 0.00 2.07 -1.15 -3.01 116.25 116.08 1pez h VAL 246 Ca 0.23 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1pez h VAL 246 Cb 0.04 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1pez h VAL 246 CO -0.04 0.16 -0.40 0.78 0.02 0.00 0.00 177.57 178.09 1pez h ASN 247 N -0.48 0.00 0.00 0.57 2.35 -0.58 0.16 115.58 117.61 1pez h ASN 247 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1pez h ASN 247 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1pez h ASN 247 CO 0.03 0.40 -0.00 0.59 -1.65 0.00 0.00 177.43 176.79 1pez n ASN 248 N -3.94 0.64 0.00 5.81 3.02 0.86 -4.06 115.26 117.60 1pez n ASN 248 Ca -0.02 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1pez n ASN 248 Cb 0.45 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1pez n ASN 248 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pez n TYR 249 N -0.50 0.00 -3.47 3.10 9.36 -0.93 -5.02 117.16 119.70 1pez n TYR 249 Ca 0.22 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.15 1pez n TYR 249 Cb 0.22 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.81 1pez n TYR 249 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1pez s LYS 250 N -0.42 0.51 0.22 2.98 1.02 0.52 -5.09 119.74 119.48 1pez s LYS 250 Ca 0.00 -1.25 -0.31 0.00 0.02 0.00 0.00 55.97 54.43 1pez s LYS 250 Cb 0.00 -1.27 -0.10 0.00 -0.52 0.00 0.00 37.83 35.93 1pez s LYS 250 CO 0.00 -1.19 1.54 -1.25 -0.92 0.00 0.00 175.35 173.53 1pez s PRO 251 N 1.17 4.21 0.01 -1.68 0.04 -1.08 -4.60 135.00 133.07 1pez s PRO 251 Ca 0.17 2.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 1pez s PRO 251 Cb -0.22 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1pez s PRO 251 CO -0.02 -0.56 0.02 0.14 0.04 0.00 0.00 177.00 176.62 1pez s VAL 252 N 0.58 0.08 -0.13 -0.36 -7.23 -1.26 -4.68 120.40 107.40 1pez s VAL 252 Ca 0.66 -0.67 -0.37 0.00 -1.81 0.00 0.00 61.98 59.79 1pez s VAL 252 Cb -0.44 -0.25 -0.14 0.00 0.56 0.00 0.00 36.38 36.11 1pez s VAL 252 CO 0.38 -0.37 1.73 0.33 -0.31 0.00 0.00 175.10 176.86 1pez n PHE 253 N 1.89 2.10 -4.68 2.82 7.35 0.79 -4.69 117.46 123.03 1pez n PHE 253 Ca -0.21 0.34 -0.24 0.00 -0.76 0.00 0.00 57.45 56.57 1pez n PHE 253 Cb 0.56 -2.52 -0.16 0.00 0.35 0.00 0.00 39.48 37.71 1pez n PHE 253 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1pez s THR 254 N 3.10 1.21 -0.01 -2.13 2.01 -1.26 -0.26 115.64 118.30 1pez s THR 254 Ca 0.93 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1pez s THR 254 Cb -0.89 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1pez s THR 254 CO 0.56 0.36 -0.03 0.72 -0.69 0.00 0.00 174.62 175.54 1pez s PHE 255 N 0.15 0.30 0.32 4.92 -0.71 -0.19 -1.60 117.98 121.16 1pez s PHE 255 Ca -0.05 -0.05 0.07 0.00 -1.04 0.00 0.00 56.93 55.86 1pez s PHE 255 Cb -0.11 -0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.46 1pez s PHE 255 CO 0.02 -0.02 0.31 0.20 -1.34 0.00 0.00 175.22 174.40 1pez s GLY 256 N 0.02 1.65 -0.38 1.99 0.00 0.09 -0.26 107.32 110.44 1pez s GLY 256 Ca 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 44.72 43.04 1pez s GLY 256 CO -0.00 -1.50 0.24 1.85 0.00 0.00 0.00 173.10 173.69 1pez s GLU 257 N -4.00 3.04 -0.40 2.90 2.12 0.35 -1.33 118.70 121.38 1pez s GLU 257 Ca 0.40 -0.95 0.02 0.00 0.36 0.00 0.00 54.97 54.80 1pez s GLU 257 Cb -0.07 -3.83 0.12 0.00 0.26 0.00 0.00 34.13 30.61 1pez s GLU 257 CO 0.27 -0.65 0.16 -0.46 -0.54 0.00 0.00 175.26 174.05 1pez s TRP 258 N 1.64 2.64 0.33 5.30 -0.11 -1.26 -2.35 118.94 125.12 1pez s TRP 258 Ca 0.04 -2.58 -0.29 0.00 1.22 0.00 0.00 56.10 54.49 1pez s TRP 258 Cb -0.19 -2.32 -0.12 0.00 -1.50 0.00 0.00 33.47 29.35 1pez s TRP 258 CO 0.09 -0.84 1.46 0.34 -4.62 0.00 0.00 176.95 173.38 1pez n PHE 259 N 3.92 2.67 -4.53 5.86 -0.00 -1.26 -4.75 117.46 119.38 1pez n PHE 259 Ca 0.04 0.42 -0.22 0.00 -0.00 0.00 0.00 57.45 57.68 1pez n PHE 259 Cb 0.38 -2.51 -0.16 0.00 -0.00 0.00 0.00 39.48 37.18 1pez n PHE 259 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1pez s LEU 260 N -1.07 1.80 0.87 -2.13 1.43 -1.26 -5.10 118.68 113.22 1pez s LEU 260 Ca 0.59 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 1pez s LEU 260 Cb -0.53 -0.69 0.17 0.00 0.03 0.00 0.00 46.19 45.17 1pez s LEU 260 CO 0.57 0.08 1.19 -0.83 0.23 0.00 0.00 176.35 177.60 1pez s GLY 261 N 0.21 1.77 0.22 -3.19 0.00 -1.26 -4.84 107.32 100.24 1pez s GLY 261 Ca -0.05 -1.44 -0.32 0.00 0.00 0.00 0.00 44.72 42.92 1pez s GLY 261 CO 0.01 -0.75 1.53 -0.62 0.00 0.00 0.00 173.10 173.28 1pez n VAL 262 N -3.39 0.57 -0.85 1.40 0.31 -1.26 -1.49 118.33 113.62 1pez n VAL 262 Ca 0.15 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1pez n VAL 262 Cb 0.60 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1pez n VAL 262 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1pez n ASN 263 N 2.74 -2.46 -4.68 4.52 3.02 -1.26 -4.97 115.26 112.17 1pez n ASN 263 Ca 0.13 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.28 1pez n ASN 263 Cb 0.32 -1.95 -0.05 0.00 -0.61 0.00 0.00 39.78 37.50 1pez n ASN 263 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pez s GLU 264 N -0.93 4.30 -0.23 3.52 2.12 -0.55 -5.02 118.70 121.91 1pez s GLU 264 Ca 0.00 0.83 0.01 0.00 0.36 0.00 0.00 54.97 56.17 1pez s GLU 264 Cb 0.00 -3.54 0.05 0.00 0.26 0.00 0.00 34.13 30.90 1pez s GLU 264 CO 0.00 -0.20 -0.09 0.08 -0.54 0.00 0.00 175.26 174.51 1pez s VAL 265 N 1.72 1.77 -0.29 3.70 1.01 -1.26 -4.75 120.40 122.31 1pez s VAL 265 Ca 0.34 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1pez s VAL 265 Cb -0.17 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1pez s VAL 265 CO 0.13 0.02 0.06 -0.55 0.00 0.00 0.00 175.10 174.75 1pez s SER 266 N 1.30 5.01 0.40 3.32 0.15 -1.26 -4.98 113.70 117.64 1pez s SER 266 Ca -0.05 -0.84 0.09 0.00 0.70 0.00 0.00 55.95 55.85 1pez s SER 266 Cb -0.18 -1.83 0.87 0.00 -1.71 0.00 0.00 66.02 63.17 1pez s SER 266 CO -0.07 -0.21 2.00 -0.65 1.20 0.00 0.00 173.24 175.51 1pez h PRO 267 N 8.18 0.56 -0.30 5.44 0.11 -1.99 -0.78 132.00 143.22 1pez h PRO 267 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1pez h PRO 267 Cb 1.11 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1pez h PRO 267 CO 0.59 0.37 0.20 0.93 -0.21 0.00 0.00 178.00 179.89 1pez h GLU 268 N 0.58 0.40 -0.36 1.05 5.08 -1.99 -0.42 114.58 118.92 1pez h GLU 268 Ca 0.25 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1pez h GLU 268 Cb 0.25 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1pez h GLU 268 CO -0.07 0.27 -0.03 -0.97 -1.00 0.00 0.00 179.01 177.21 1pez h ASN 269 N 0.41 -0.21 -0.15 1.42 -1.24 -1.59 0.56 115.58 114.78 1pez h ASN 269 Ca 0.11 0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.23 1pez h ASN 269 Cb -0.04 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1pez h ASN 269 CO -0.02 -0.06 0.03 0.45 -1.29 0.00 0.00 177.43 176.53 1pez h HIS 270 N 0.07 0.04 -0.95 0.67 3.86 -0.93 -2.03 115.15 115.88 1pez h HIS 270 Ca 0.18 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1pez h HIS 270 Cb 0.26 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.68 1pez h HIS 270 CO -0.28 0.01 0.61 -0.22 0.86 0.00 0.00 177.93 178.91 1pez h LYS 271 N 0.09 1.27 -0.48 2.45 3.64 -0.44 -0.51 116.57 122.57 1pez h LYS 271 Ca 0.07 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1pez h LYS 271 Cb 0.06 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1pez h LYS 271 CO -0.10 0.86 0.13 0.35 -2.27 0.00 0.00 179.45 178.43 1pez h PHE 272 N 1.30 0.80 -0.10 1.91 3.57 -0.60 -0.19 116.94 123.63 1pez h PHE 272 Ca 0.35 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 1pez h PHE 272 Cb -0.11 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 1pez h PHE 272 CO 0.00 0.71 -0.37 0.00 -2.23 0.00 0.00 178.31 176.42 1pez h ALA 273 N 1.00 1.19 0.00 2.41 0.00 -0.98 -0.76 119.26 122.12 1pez h ALA 273 Ca 0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1pez h ALA 273 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pez h ALA 273 CO -0.00 0.55 -0.47 -0.91 0.00 0.00 0.00 179.25 178.42 1pez h ASN 274 N 0.18 0.00 0.00 0.00 2.35 -0.76 -3.41 115.58 113.95 1pez h ASN 274 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1pez h ASN 274 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1pez h ASN 274 CO 0.06 0.22 0.00 -0.62 -1.65 0.00 0.00 177.43 175.44 1pez n GLU 275 N -3.05 2.54 0.09 0.81 1.02 -0.11 -4.83 120.64 117.10 1pez n GLU 275 Ca 0.01 -0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 57.03 1pez n GLU 275 Cb 0.63 -0.45 -0.06 0.00 -0.02 0.00 0.00 31.44 31.54 1pez n GLU 275 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1pez h SER 276 N 0.00 0.00 0.00 1.62 4.64 -1.32 -3.48 113.55 115.02 1pez h SER 276 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pez h SER 276 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1pez h SER 276 CO 0.00 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 1pez n GLY 277 N 1.31 0.72 3.16 -0.77 0.00 -1.26 -4.17 105.19 104.18 1pez n GLY 277 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1pez n GLY 277 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1pez s MET 278 N -0.68 0.87 0.04 1.61 0.23 -1.26 -4.86 119.30 115.25 1pez s MET 278 Ca 0.00 -1.39 0.01 0.00 -1.03 0.00 0.00 55.69 53.28 1pez s MET 278 Cb 0.00 0.07 0.01 0.00 -1.53 0.00 0.00 34.83 33.38 1pez s MET 278 CO 0.00 -0.16 0.05 -1.13 -2.03 0.00 0.00 175.02 171.75 1pez n SER 279 N -0.07 0.16 -4.18 -1.18 3.41 -0.63 -4.50 113.62 106.64 1pez n SER 279 Ca -0.09 -1.10 -0.11 0.00 -0.26 0.00 0.00 58.87 57.32 1pez n SER 279 Cb 0.63 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1pez n SER 279 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pez s LEU 280 N 0.00 2.45 0.13 1.04 1.43 -1.26 -0.73 118.68 121.73 1pez s LEU 280 Ca 0.04 -1.03 -0.31 0.00 -1.03 0.00 0.00 54.13 51.80 1pez s LEU 280 Cb -0.00 -0.07 -0.08 0.00 0.03 0.00 0.00 46.19 46.07 1pez s LEU 280 CO 0.02 -0.48 1.39 -0.76 0.23 0.00 0.00 176.35 176.76 1pez s LEU 281 N -3.06 4.37 -1.36 1.79 1.43 -0.44 -1.47 118.68 119.94 1pez s LEU 281 Ca 0.13 2.36 -0.16 0.00 -1.03 0.00 0.00 54.13 55.43 1pez s LEU 281 Cb 0.05 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.74 1pez s LEU 281 CO -0.04 -0.65 1.92 -0.67 0.23 0.00 0.00 176.35 177.14 1pez n ASP 282 N 3.80 4.54 -0.08 2.29 -0.08 0.18 -4.70 116.55 122.50 1pez n ASP 282 Ca 0.11 -2.89 -0.04 0.00 -1.51 0.00 0.00 54.79 50.46 1pez n ASP 282 Cb 0.42 -1.72 0.18 0.00 2.34 0.00 0.00 41.12 42.35 1pez n ASP 282 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1pez h PHE 283 N 6.98 0.76 -0.77 -0.67 -1.00 -1.85 -1.51 116.94 118.89 1pez h PHE 283 Ca 0.49 -0.11 0.09 0.00 2.81 0.00 0.00 57.97 61.25 1pez h PHE 283 Cb 0.78 -0.21 -0.07 0.00 3.61 0.00 0.00 35.95 40.07 1pez h PHE 283 CO 1.44 0.74 0.42 -0.09 -1.61 0.00 0.00 178.31 179.21 1pez h ARG 284 N 0.66 0.70 0.31 1.51 2.43 -1.87 0.24 114.38 118.37 1pez h ARG 284 Ca 0.13 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1pez h ARG 284 Cb 0.48 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1pez h ARG 284 CO 0.02 0.46 -0.15 0.35 -1.51 0.00 0.00 179.97 179.15 1pez h PHE 285 N 0.72 -0.39 -0.33 2.20 3.04 -1.84 -2.72 116.94 117.61 1pez h PHE 285 Ca 0.37 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.36 1pez h PHE 285 Cb 0.34 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.93 1pez h PHE 285 CO -0.08 -0.07 0.06 0.00 -2.02 0.00 0.00 178.31 176.21 1pez h ALA 286 N -0.17 0.35 -0.86 2.41 0.00 -0.82 -0.35 119.26 119.82 1pez h ALA 286 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pez h ALA 286 Cb 0.49 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1pez h ALA 286 CO 0.07 -0.34 0.44 1.96 0.00 0.00 0.00 179.25 181.38 1pez h GLN 287 N 0.18 1.21 -0.40 0.00 1.08 -0.60 -1.20 115.11 115.38 1pez h GLN 287 Ca 0.16 -0.16 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 1pez h GLN 287 Cb 0.18 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1pez h GLN 287 CO -0.21 0.91 -0.31 -0.22 -0.95 0.00 0.00 178.83 178.04 1pez h LYS 288 N 1.21 0.90 -0.66 1.46 1.63 -1.12 -1.86 116.57 118.13 1pez h LYS 288 Ca 0.30 -0.43 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1pez h LYS 288 Cb 0.07 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1pez h LYS 288 CO -0.04 1.08 0.34 0.28 -3.45 0.00 0.00 179.45 177.66 1pez h VAL 289 N 0.75 1.20 -0.29 2.00 2.07 -0.64 -0.95 116.25 120.40 1pez h VAL 289 Ca 0.08 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1pez h VAL 289 Cb 0.88 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1pez h VAL 289 CO 0.08 0.23 -0.10 0.03 0.02 0.00 0.00 177.57 177.83 1pez h ARG 290 N 0.92 0.58 -0.05 1.57 3.08 -0.99 0.92 114.38 120.41 1pez h ARG 290 Ca 0.23 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1pez h ARG 290 Cb 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1pez h ARG 290 CO -0.04 0.79 -0.05 1.96 -1.07 0.00 0.00 179.97 181.57 1pez h GLN 291 N 0.33 -0.07 -0.05 0.04 4.20 -0.93 0.48 115.11 119.11 1pez h GLN 291 Ca 0.07 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1pez h GLN 291 Cb 0.60 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1pez h GLN 291 CO 0.03 -0.04 -0.12 0.28 -0.67 0.00 0.00 178.83 178.31 1pez h VAL 292 N -0.07 1.43 0.00 -0.54 2.07 -1.17 0.33 116.25 118.30 1pez h VAL 292 Ca 0.04 -1.45 -0.14 0.00 0.82 0.00 0.00 66.70 65.97 1pez h VAL 292 Cb 0.13 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1pez h VAL 292 CO -0.10 0.40 -1.84 0.49 0.02 0.00 0.00 177.57 176.55 1pez n PHE 293 N -4.65 0.37 -0.06 1.57 3.72 0.31 -4.48 117.46 114.25 1pez n PHE 293 Ca -0.08 0.12 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 1pez n PHE 293 Cb 0.36 -0.84 -0.04 0.00 -0.94 0.00 0.00 39.48 38.03 1pez n PHE 293 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1pez n ARG 294 N -2.60 0.35 0.01 -1.08 0.63 0.48 -4.82 116.66 109.63 1pez n ARG 294 Ca -0.13 0.15 0.11 0.00 -0.92 0.00 0.00 57.85 57.06 1pez n ARG 294 Cb 0.79 -1.10 0.02 0.00 0.45 0.00 0.00 32.46 32.62 1pez n ARG 294 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pez n ASP 295 N -3.97 0.71 -3.17 6.15 8.00 0.14 -4.99 116.55 119.42 1pez n ASP 295 Ca -0.19 -0.53 -0.19 0.00 0.71 0.00 0.00 54.79 54.58 1pez n ASP 295 Cb 0.50 0.78 0.07 0.00 -0.02 0.00 0.00 41.12 42.45 1pez n ASP 295 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pez n ASN 296 N -1.66 -4.66 -0.61 -2.24 5.15 1.00 -4.92 115.26 107.32 1pez n ASN 296 Ca 0.04 -0.49 0.06 0.00 -0.60 0.00 0.00 54.58 53.59 1pez n ASN 296 Cb 0.37 -4.47 0.11 0.00 -0.53 0.00 0.00 39.78 35.26 1pez n ASN 296 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1pez n THR 297 N -4.39 0.49 -3.51 -0.44 -2.24 -0.20 -5.00 114.28 98.99 1pez n THR 297 Ca -0.07 -0.75 -0.10 0.00 -2.27 0.00 0.00 64.05 60.86 1pez n THR 297 Cb 0.58 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 1pez n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pez s ASP 298 N -1.02 -0.46 0.07 3.42 -1.08 -1.23 -4.96 116.67 111.41 1pez s ASP 298 Ca 0.20 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.14 1pez s ASP 298 Cb 0.12 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 42.14 1pez s ASP 298 CO 0.17 -0.93 0.04 -0.46 0.52 0.00 0.00 175.17 174.51 1pez n ASN 299 N -0.36 1.51 0.12 -0.34 0.23 -1.26 -3.93 115.26 111.23 1pez n ASN 299 Ca -0.13 -1.26 0.09 0.00 -0.53 0.00 0.00 54.58 52.75 1pez n ASN 299 Cb 0.63 0.01 0.58 0.00 -2.08 0.00 0.00 39.78 38.92 1pez n ASN 299 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1pez h MET 300 N 0.00 0.18 -0.27 -3.83 2.86 -1.56 0.37 114.93 112.69 1pez h MET 300 Ca -0.05 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1pez h MET 300 Cb 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1pez h MET 300 CO 0.08 0.12 0.12 1.88 1.06 0.00 0.00 176.91 180.16 1pez h TYR 301 N 0.19 0.35 -0.12 -0.22 0.05 -1.83 0.36 116.97 115.75 1pez h TYR 301 Ca 0.10 -0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.68 1pez h TYR 301 Cb 0.19 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.82 1pez h TYR 301 CO -0.00 0.28 -0.76 0.78 -1.05 0.00 0.00 178.16 177.41 1pez h GLY 302 N 0.48 0.69 0.88 3.88 0.00 -1.31 -0.97 103.07 106.71 1pez h GLY 302 Ca 0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 1pez h GLY 302 CO -0.01 0.87 0.03 -2.00 0.00 0.00 0.00 176.54 175.42 1pez h LEU 303 N 0.43 0.46 -0.48 3.11 5.85 -0.86 -1.41 115.31 122.42 1pez h LEU 303 Ca -0.04 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.43 1pez h LEU 303 Cb 1.36 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1pez h LEU 303 CO 0.15 0.63 0.27 0.50 -0.34 0.00 0.00 178.44 179.64 1pez h LYS 304 N 0.29 0.52 -0.87 1.25 3.64 -0.31 -1.36 116.57 119.73 1pez h LYS 304 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1pez h LYS 304 Cb 0.37 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1pez h LYS 304 CO 0.01 0.34 0.55 0.00 -2.27 0.00 0.00 179.45 178.08 1pez h ALA 305 N 1.23 1.10 -0.47 5.00 0.00 -0.96 -0.98 119.26 124.17 1pez h ALA 305 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pez h ALA 305 Cb 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1pez h ALA 305 CO -0.11 0.54 0.22 1.98 0.00 0.00 0.00 179.25 181.88 1pez h MET 306 N 1.18 0.69 -0.33 0.00 1.85 -0.80 0.27 114.93 117.79 1pez h MET 306 Ca 0.31 -0.11 -0.03 0.00 -0.61 0.00 0.00 59.70 59.27 1pez h MET 306 Cb -0.09 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.81 1pez h MET 306 CO -0.06 0.59 0.10 -0.07 -0.40 0.00 0.00 176.91 177.07 1pez h LEU 307 N 0.62 0.48 -0.33 3.39 3.38 -0.86 0.23 115.31 122.23 1pez h LEU 307 Ca 0.16 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1pez h LEU 307 Cb 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1pez h LEU 307 CO -0.02 0.56 -0.69 -0.33 0.09 0.00 0.00 178.44 178.05 1pez h GLU 308 N 0.38 0.62 0.13 1.13 5.08 -1.12 -2.42 114.58 118.38 1pez h GLU 308 Ca 0.11 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1pez h GLU 308 Cb 0.25 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1pez h GLU 308 CO -0.00 1.09 -0.06 0.78 -1.00 0.00 0.00 179.01 179.82 1pez h GLY 309 N 0.92 -0.18 1.76 -3.84 0.00 -0.39 -2.81 103.07 98.52 1pez h GLY 309 Ca -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1pez h GLY 309 CO 0.13 -0.07 -0.07 1.48 0.00 0.00 0.00 176.54 178.01 1pez h SER 310 N -0.50 0.29 0.24 0.19 4.64 -1.03 0.81 113.55 118.19 1pez h SER 310 Ca -0.02 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1pez h SER 310 Cb 0.40 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1pez h SER 310 CO 0.03 0.40 -0.16 0.00 -0.87 0.00 0.00 176.83 176.23 1pez h ALA 311 N 1.64 1.53 0.05 5.18 0.00 -1.39 -1.01 119.26 125.26 1pez h ALA 311 Ca 0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1pez h ALA 311 Cb 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1pez h ALA 311 CO 0.02 0.20 -1.76 0.00 0.00 0.00 0.00 179.25 177.71 1pez h ALA 312 N 1.84 0.60 0.02 0.00 0.00 -0.89 -3.39 119.26 117.43 1pez h ALA 312 Ca -0.00 -1.39 -0.22 0.00 0.00 0.00 0.00 54.91 53.30 1pez h ALA 312 Cb 0.33 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1pez h ALA 312 CO 0.02 1.44 -1.02 -0.44 0.00 0.00 0.00 179.25 179.25 1pez h ASP 313 N 0.03 0.06 -3.74 0.00 3.32 -0.64 -3.44 116.42 112.02 1pez h ASP 313 Ca -0.31 -0.07 -0.63 0.00 0.02 0.00 0.00 57.03 56.04 1pez h ASP 313 Cb 2.01 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 41.39 1pez h ASP 313 CO 0.09 1.04 -0.40 -0.31 -1.72 0.00 0.00 179.24 177.94 1pez s TYR 314 N -2.73 3.26 0.41 4.55 2.02 -0.40 -4.85 117.35 119.61 1pez s TYR 314 Ca 0.00 0.27 0.08 0.00 -0.37 0.00 0.00 57.07 57.05 1pez s TYR 314 Cb 0.10 -2.43 0.87 0.00 -0.40 0.00 0.00 41.96 40.11 1pez s TYR 314 CO 0.83 -0.12 2.06 0.00 -1.57 0.00 0.00 175.55 176.75 1pez h ALA 315 N 8.03 1.71 -2.11 3.71 0.00 -1.88 -3.11 119.26 125.61 1pez h ALA 315 Ca -0.35 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 53.94 1pez h ALA 315 Cb 1.17 -0.15 -0.41 0.00 0.00 0.00 0.00 17.79 18.41 1pez h ALA 315 CO 0.62 0.26 -0.82 1.04 0.00 0.00 0.00 179.25 180.35 1pez n GLN 316 N -4.47 1.73 0.14 0.00 3.00 -1.26 -4.92 117.38 111.60 1pez n GLN 316 Ca 0.03 -4.03 0.16 0.00 -0.01 0.00 0.00 57.00 53.14 1pez n GLN 316 Cb 0.07 -1.80 0.74 0.00 0.00 0.00 0.00 30.24 29.25 1pez n GLN 316 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1pez h VAL 317 N 2.67 0.68 0.00 5.09 3.04 -1.84 -0.62 116.25 125.27 1pez h VAL 317 Ca 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 1pez h VAL 317 Cb 0.76 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1pez h VAL 317 CO 0.67 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.70 1pez n ASP 318 N -4.18 0.05 -0.77 3.17 8.00 -1.26 -2.25 116.55 119.31 1pez n ASP 318 Ca 0.03 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.17 1pez n ASP 318 Cb 0.37 -0.52 0.19 0.00 -0.02 0.00 0.00 41.12 41.14 1pez n ASP 318 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1pez n ASP 319 N -1.56 2.48 -4.72 -2.24 8.00 -0.24 -3.90 116.55 114.38 1pez n ASP 319 Ca 0.04 -1.79 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 1pez n ASP 319 Cb 0.18 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 1pez n ASP 319 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1pez s GLN 320 N -2.08 4.62 -0.48 -1.24 -1.52 -0.96 -4.44 119.66 113.56 1pez s GLN 320 Ca 0.29 1.46 -0.24 0.00 -1.95 0.00 0.00 55.36 54.92 1pez s GLN 320 Cb 0.20 -3.41 0.03 0.00 -0.22 0.00 0.00 33.01 29.61 1pez s GLN 320 CO 0.35 0.06 0.85 0.08 -0.25 0.00 0.00 175.29 176.39 1pez s VAL 321 N 0.52 4.55 0.40 1.09 1.01 -0.54 -0.77 120.40 126.65 1pez s VAL 321 Ca 0.50 0.44 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 1pez s VAL 321 Cb -0.23 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 1pez s VAL 321 CO 0.29 -0.85 0.73 0.42 0.00 0.00 0.00 175.10 175.69 1pez s THR 322 N 3.55 4.86 0.13 3.92 -4.23 -0.32 0.50 115.64 124.04 1pez s THR 322 Ca 0.31 0.42 -0.26 0.00 -1.18 0.00 0.00 61.69 60.98 1pez s THR 322 Cb -0.12 -3.76 0.07 0.00 1.34 0.00 0.00 72.50 70.03 1pez s THR 322 CO 0.22 -0.56 0.97 0.72 -0.54 0.00 0.00 174.62 175.44 1pez s PHE 323 N -2.40 -0.15 -0.24 3.99 -0.71 -1.26 0.30 117.98 117.50 1pez s PHE 323 Ca 0.49 -0.12 0.06 0.00 -1.04 0.00 0.00 56.93 56.32 1pez s PHE 323 Cb -0.10 0.62 -0.07 0.00 -1.21 0.00 0.00 43.02 42.25 1pez s PHE 323 CO 0.34 -0.77 0.24 0.44 -1.34 0.00 0.00 175.22 174.14 1pez n ILE 324 N -0.44 0.00 -3.82 -4.49 -5.35 -1.26 -3.96 119.36 100.04 1pez n ILE 324 Ca -0.06 -0.31 -0.02 0.00 -0.27 0.00 0.00 62.75 62.08 1pez n ILE 324 Cb 0.61 0.88 0.01 0.00 -1.74 0.00 0.00 39.64 39.39 1pez n ILE 324 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1pez s ASP 325 N -1.81 -0.05 0.00 7.28 1.47 -1.26 -4.66 116.67 117.63 1pez s ASP 325 Ca 0.01 -0.46 0.00 0.00 1.18 0.00 0.00 52.55 53.29 1pez s ASP 325 Cb 0.05 0.40 0.00 0.00 -0.34 0.00 0.00 42.92 43.03 1pez s ASP 325 CO 0.26 -0.77 0.00 -0.46 0.68 0.00 0.00 175.17 174.88 1pez n ASN 326 N -0.88 0.00 0.00 2.11 0.23 -1.26 -4.54 115.26 110.92 1pez n ASN 326 Ca -0.04 -0.75 0.10 0.00 -0.53 0.00 0.00 54.58 53.35 1pez n ASN 326 Cb 0.60 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.85 1pez n ASN 326 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pez n HIS 327 N 0.00 0.00 -0.92 -2.53 1.44 -1.26 -2.82 115.22 109.13 1pez n HIS 327 Ca 0.00 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 1pez n HIS 327 Cb 0.00 -0.14 0.14 0.00 0.12 0.00 0.00 29.99 30.11 1pez n HIS 327 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1pez n ASP 328 N -1.14 2.53 -4.10 4.39 8.00 -1.26 -4.51 116.55 120.46 1pez n ASP 328 Ca 0.12 -2.93 -0.08 0.00 0.71 0.00 0.00 54.79 52.61 1pez n ASP 328 Cb 0.11 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.72 1pez n ASP 328 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1pez s MET 329 N -2.62 0.78 0.37 -1.24 -1.94 -1.13 -4.90 119.30 108.62 1pez s MET 329 Ca 0.30 -1.30 -0.26 0.00 -1.71 0.00 0.00 55.69 52.71 1pez s MET 329 Cb 0.25 0.24 -0.09 0.00 2.01 0.00 0.00 34.83 37.24 1pez s MET 329 CO 0.04 -0.19 1.17 -1.21 -0.01 0.00 0.00 175.02 174.82 1pez s GLU 330 N -3.97 4.22 0.36 2.03 2.02 -1.26 -4.64 118.70 117.46 1pez s GLU 330 Ca 0.14 1.87 -0.25 0.00 0.02 0.00 0.00 54.97 56.76 1pez s GLU 330 Cb 0.07 -2.83 -0.13 0.00 0.10 0.00 0.00 34.13 31.35 1pez s GLU 330 CO -0.05 -0.19 0.78 0.54 0.02 0.00 0.00 175.26 176.36 1pez n ARG 331 N 0.39 0.91 -0.21 1.61 5.12 0.76 -4.81 116.66 120.43 1pez n ARG 331 Ca 0.03 0.32 -0.05 0.00 -1.93 0.00 0.00 57.85 56.23 1pez n ARG 331 Cb 0.46 -1.67 0.06 0.00 -1.16 0.00 0.00 32.46 30.14 1pez n ARG 331 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1pez h PHE 332 N 1.32 0.70 -3.40 -1.55 3.04 -1.85 -3.40 116.94 111.80 1pez h PHE 332 Ca -0.40 0.02 -0.57 0.00 3.98 0.00 0.00 57.97 61.00 1pez h PHE 332 Cb 1.37 -0.23 -0.07 0.00 2.56 0.00 0.00 35.95 39.59 1pez h PHE 332 CO 0.42 0.40 0.86 -1.58 -2.02 0.00 0.00 178.31 176.39 1pez s HIS 333 N -6.13 3.07 0.11 0.41 2.46 -1.26 -4.96 115.29 108.99 1pez s HIS 333 Ca -0.13 1.08 -0.21 0.00 0.47 0.00 0.00 55.06 56.27 1pez s HIS 333 Cb 0.14 -3.86 -0.07 0.00 -0.13 0.00 0.00 32.58 28.66 1pez s HIS 333 CO 0.75 -0.88 0.64 0.00 -2.47 0.00 0.00 174.74 172.79 1pez s ALA 334 N 3.83 3.54 0.31 1.58 0.00 -1.26 -4.19 121.76 125.58 1pez s ALA 334 Ca 0.46 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1pez s ALA 334 Cb -0.11 -2.75 0.88 0.00 0.00 0.00 0.00 23.12 21.14 1pez s ALA 334 CO 0.19 0.36 1.64 0.77 0.00 0.00 0.00 175.76 178.72 1pez h SER 335 N 4.45 0.15 -0.59 0.00 0.02 -1.95 -0.02 113.55 115.61 1pez h SER 335 Ca -0.49 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1pez h SER 335 Cb 1.21 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1pez h SER 335 CO 0.64 -0.19 0.00 -0.46 -1.14 0.00 0.00 176.83 175.69 1pez n ASN 336 N -5.20 4.12 -4.93 3.07 6.94 -1.26 -4.97 115.26 113.04 1pez n ASN 336 Ca 0.26 -2.32 -0.26 0.00 -0.02 0.00 0.00 54.58 52.25 1pez n ASN 336 Cb 0.83 -0.52 -0.02 0.00 -2.36 0.00 0.00 39.78 37.71 1pez n ASN 336 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pez s ALA 337 N -1.69 3.70 0.05 -2.53 0.00 -0.02 -5.05 121.76 116.22 1pez s ALA 337 Ca 0.45 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 1pez s ALA 337 Cb 0.28 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 21.21 1pez s ALA 337 CO 0.23 0.12 1.32 1.21 0.00 0.00 0.00 175.76 178.65 1pez s ASN 338 N -3.67 6.92 0.64 0.00 3.84 -1.26 -4.90 114.94 116.51 1pez s ASN 338 Ca 0.41 2.13 0.40 0.00 0.21 0.00 0.00 52.86 56.00 1pez s ASN 338 Cb -0.10 -2.57 2.19 0.00 -0.55 0.00 0.00 41.25 40.21 1pez s ASN 338 CO 0.33 -0.62 2.31 0.03 -2.79 0.00 0.00 177.10 176.36 1pez h ARG 339 N 7.19 0.00 0.00 0.43 3.08 -1.96 -2.47 114.38 120.64 1pez h ARG 339 Ca -0.40 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 1pez h ARG 339 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1pez h ARG 339 CO 0.86 0.01 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.58 1pez h ARG 340 N 0.00 0.00 -0.55 0.04 9.65 -1.99 -2.12 114.38 119.41 1pez h ARG 340 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1pez h ARG 340 Cb 0.06 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1pez h ARG 340 CO 0.00 0.10 0.19 0.87 2.80 0.00 0.00 179.97 183.93 1pez h LYS 341 N 0.00 0.85 -0.34 0.20 1.57 -1.76 0.12 116.57 117.20 1pez h LYS 341 Ca -0.00 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1pez h LYS 341 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1pez h LYS 341 CO 0.01 0.76 -0.21 1.25 -0.57 0.00 0.00 179.45 180.69 1pez h LEU 342 N 0.76 0.78 -0.66 2.94 6.46 -1.64 -2.39 115.31 121.56 1pez h LEU 342 Ca 0.18 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1pez h LEU 342 Cb 0.26 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1pez h LEU 342 CO -0.01 1.04 0.42 -0.33 -0.62 0.00 0.00 178.44 178.93 1pez h GLU 343 N 0.52 0.89 -0.28 1.25 5.08 -1.07 -0.50 114.58 120.46 1pez h GLU 343 Ca 0.07 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1pez h GLU 343 Cb 0.77 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1pez h GLU 343 CO 0.06 0.62 -0.02 1.96 -1.00 0.00 0.00 179.01 180.62 1pez h GLN 344 N 0.90 0.51 -0.58 2.33 4.20 -0.78 -0.75 115.11 120.95 1pez h GLN 344 Ca 0.24 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1pez h GLN 344 Cb -0.06 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1pez h GLN 344 CO -0.05 0.68 0.38 0.00 -0.67 0.00 0.00 178.83 179.18 1pez h ALA 345 N 0.81 1.60 -0.00 3.87 0.00 -1.21 0.14 119.26 124.47 1pez h ALA 345 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pez h ALA 345 Cb 0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pez h ALA 345 CO 0.02 0.37 -0.00 1.25 0.00 0.00 0.00 179.25 180.89 1pez h LEU 346 N 0.77 0.00 -1.26 0.00 5.85 -0.90 -1.60 115.31 118.18 1pez h LEU 346 Ca 0.21 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1pez h LEU 346 Cb -0.08 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1pez h LEU 346 CO -0.05 0.43 0.46 0.00 -0.34 0.00 0.00 178.44 178.94 1pez h ALA 347 N 0.57 1.45 -0.25 1.25 0.00 -0.56 -0.87 119.26 120.85 1pez h ALA 347 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pez h ALA 347 Cb 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1pez h ALA 347 CO 0.00 0.49 0.04 0.35 0.00 0.00 0.00 179.25 180.14 1pez h PHE 348 N 0.98 0.44 -0.41 0.00 3.57 -0.68 -2.80 116.94 118.04 1pez h PHE 348 Ca 0.26 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1pez h PHE 348 Cb -0.08 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1pez h PHE 348 CO 0.00 0.53 0.09 1.15 -2.23 0.00 0.00 178.31 177.85 1pez h THR 349 N 0.23 1.23 0.00 4.41 2.02 -0.83 -1.99 112.91 117.98 1pez h THR 349 Ca 0.08 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1pez h THR 349 Cb 0.32 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1pez h THR 349 CO 0.00 0.28 -0.03 -0.07 0.37 0.00 0.00 175.52 176.07 1pez h LEU 350 N 0.53 0.00 -1.82 2.58 3.38 -1.16 -2.81 115.31 116.01 1pez h LEU 350 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1pez h LEU 350 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pez h LEU 350 CO 0.00 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1pez n THR 351 N -3.27 0.25 -2.89 0.22 -2.24 -1.06 -4.84 114.28 100.45 1pez n THR 351 Ca -0.02 -0.63 -0.20 0.00 -2.27 0.00 0.00 64.05 60.93 1pez n THR 351 Cb 0.19 1.06 0.02 0.00 -2.10 0.00 0.00 70.33 69.50 1pez n THR 351 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pez s SER 352 N -0.99 5.56 0.76 3.42 0.01 -0.77 -4.90 113.70 116.80 1pez s SER 352 Ca 0.16 -0.05 -0.13 0.00 1.31 0.00 0.00 55.95 57.24 1pez s SER 352 Cb 0.11 -1.02 0.05 0.00 0.21 0.00 0.00 66.02 65.37 1pez s SER 352 CO 0.15 -0.88 1.15 0.00 0.41 0.00 0.00 173.24 174.08 1pez s ARG 353 N -4.56 2.08 0.00 12.44 3.03 -1.26 -4.84 118.95 125.84 1pez s ARG 353 Ca 0.53 1.54 0.00 0.00 2.03 0.00 0.00 55.73 59.83 1pez s ARG 353 Cb -0.10 -1.85 0.00 0.00 -1.03 0.00 0.00 34.95 31.97 1pez s ARG 353 CO 0.36 -1.83 0.00 0.41 -1.13 0.00 0.00 175.30 173.11 1pez n GLY 354 N -0.10 0.09 2.77 3.88 0.00 -1.25 -4.86 105.19 105.71 1pez n GLY 354 Ca 0.12 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1pez n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pez s VAL 355 N 0.00 1.13 0.27 1.61 1.01 0.05 -4.53 120.40 119.94 1pez s VAL 355 Ca 0.00 -1.69 -0.30 0.00 0.00 0.00 0.00 61.98 59.99 1pez s VAL 355 Cb 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 1pez s VAL 355 CO 0.00 -0.70 1.37 -2.16 0.00 0.00 0.00 175.10 173.61 1pez s PRO 356 N 1.33 4.32 -0.07 2.72 0.04 -1.26 -1.17 135.00 140.91 1pez s PRO 356 Ca 0.11 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.43 1pez s PRO 356 Cb -0.19 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1pez s PRO 356 CO -0.19 -0.31 -0.20 0.00 0.04 0.00 0.00 177.00 176.33 1pez s ALA 357 N -0.40 1.84 -0.21 8.56 0.00 0.15 -0.66 121.76 131.04 1pez s ALA 357 Ca 0.55 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1pez s ALA 357 Cb -0.40 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1pez s ALA 357 CO 0.46 0.29 -0.12 0.42 0.00 0.00 0.00 175.76 176.81 1pez s ILE 358 N 0.18 2.68 0.04 0.00 1.01 0.17 -4.38 121.20 120.89 1pez s ILE 358 Ca -0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1pez s ILE 358 Cb -0.15 -2.21 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 1pez s ILE 358 CO 0.05 0.44 1.56 -0.47 0.00 0.00 0.00 174.94 176.52 1pez s TYR 359 N 1.37 2.54 0.25 3.97 5.04 -1.26 -0.10 117.35 129.15 1pez s TYR 359 Ca 0.04 0.49 -0.28 0.00 -2.44 0.00 0.00 57.07 54.88 1pez s TYR 359 Cb -0.14 -3.85 -0.15 0.00 0.35 0.00 0.00 41.96 38.16 1pez s TYR 359 CO -0.08 -3.36 0.81 2.48 -1.34 0.00 0.00 175.55 174.06 1pez n TYR 360 N 5.63 0.54 0.00 4.97 4.11 0.30 -1.55 117.16 131.16 1pez n TYR 360 Ca 0.15 0.82 0.00 0.00 -0.00 0.00 0.00 57.90 58.87 1pez n TYR 360 Cb 0.42 -2.13 0.00 0.00 -0.00 0.00 0.00 39.34 37.63 1pez n TYR 360 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pez n GLY 361 N 1.56 2.26 0.37 -7.48 0.00 -1.26 -4.89 105.19 95.75 1pez n GLY 361 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1pez n GLY 361 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pez h THR 362 N 0.00 1.06 0.00 2.61 2.02 -1.64 0.11 112.91 117.08 1pez h THR 362 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1pez h THR 362 Cb 0.00 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.22 1pez h THR 362 CO 0.00 0.21 0.00 -1.84 0.37 0.00 0.00 175.52 174.26 1pez n GLU 363 N -4.52 0.26 -0.20 6.66 0.00 -1.26 -1.72 120.64 119.86 1pez n GLU 363 Ca 0.16 0.12 0.06 0.00 0.00 0.00 0.00 57.16 57.49 1pez n GLU 363 Cb 0.22 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.31 1pez n GLU 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1pez n GLN 364 N -1.27 2.88 -2.63 3.44 1.13 0.37 -4.10 117.38 117.21 1pez n GLN 364 Ca 0.08 -2.12 -0.21 0.00 -1.94 0.00 0.00 57.00 52.82 1pez n GLN 364 Cb 0.14 -1.32 0.01 0.00 0.11 0.00 0.00 30.24 29.17 1pez n GLN 364 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1pez n TYR 365 N 0.38 -1.35 -1.79 1.08 4.01 -0.70 -4.93 117.16 113.85 1pez n TYR 365 Ca 0.12 0.20 -0.41 0.00 -0.16 0.00 0.00 57.90 57.65 1pez n TYR 365 Cb 0.47 -4.13 -0.01 0.00 -0.31 0.00 0.00 39.34 35.36 1pez n TYR 365 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1pez s MET 366 N -5.28 4.12 0.24 -0.72 -1.94 -1.11 -4.94 119.30 109.67 1pez s MET 366 Ca 0.12 2.57 0.10 0.00 -1.71 0.00 0.00 55.69 56.76 1pez s MET 366 Cb -0.05 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 1pez s MET 366 CO 0.14 -0.60 -0.10 -1.12 -0.01 0.00 0.00 175.02 173.34 1pez s SER 367 N 0.31 4.12 0.00 3.03 0.01 -1.26 -4.43 113.70 115.48 1pez s SER 367 Ca 0.60 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1pez s SER 367 Cb -0.47 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.14 1pez s SER 367 CO 0.52 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.83 1pez n GLY 368 N -0.44 3.47 0.00 3.44 0.00 -1.26 -4.87 105.19 105.53 1pez n GLY 368 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1pez n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pez n GLY 369 N -0.84 -0.48 3.65 -0.02 0.00 -1.26 -0.17 105.19 106.07 1pez n GLY 369 Ca 0.00 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 1pez n GLY 369 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pez s THR 370 N 0.00 2.32 0.05 2.61 -4.23 -1.26 -2.52 115.64 112.61 1pez s THR 370 Ca 0.00 0.11 -0.37 0.00 -1.18 0.00 0.00 61.69 60.25 1pez s THR 370 Cb 0.00 -2.42 -0.19 0.00 1.34 0.00 0.00 72.50 71.23 1pez s THR 370 CO 0.00 -0.14 0.92 -0.67 -0.54 0.00 0.00 174.62 174.19 1pez n ASP 371 N -4.25 -0.31 -0.98 3.99 2.03 -1.26 -1.45 116.55 114.32 1pez n ASP 371 Ca 0.06 1.14 0.11 0.00 0.52 0.00 0.00 54.79 56.62 1pez n ASP 371 Cb 0.55 -0.91 0.26 0.00 -0.72 0.00 0.00 41.12 40.29 1pez n ASP 371 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1pez n PRO 372 N 1.36 2.28 0.20 -0.67 -0.04 -1.26 -4.93 135.00 131.93 1pez n PRO 372 Ca 0.19 -1.93 0.14 0.00 -0.04 0.00 0.00 63.50 61.86 1pez n PRO 372 Cb 0.12 -1.48 0.70 0.00 -0.04 0.00 0.00 33.50 32.80 1pez n PRO 372 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1pez h ASP 373 N 3.80 0.00 -0.24 3.54 3.32 -1.45 -0.36 116.42 125.03 1pez h ASP 373 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pez h ASP 373 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1pez h ASP 373 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 1pez n ASN 374 N -2.43 2.36 -1.88 6.45 0.23 -1.05 -4.24 115.26 114.69 1pez n ASN 374 Ca -0.01 -1.82 -0.21 0.00 -0.53 0.00 0.00 54.58 52.00 1pez n ASN 374 Cb 0.07 -0.15 0.04 0.00 -2.08 0.00 0.00 39.78 37.66 1pez n ASN 374 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1pez n ARG 375 N 0.78 3.35 -1.41 -3.83 1.74 -0.14 -4.87 116.66 112.28 1pez n ARG 375 Ca 0.17 -4.03 -0.31 0.00 -0.77 0.00 0.00 57.85 52.92 1pez n ARG 375 Cb 0.44 -2.21 0.09 0.00 -1.02 0.00 0.00 32.46 29.76 1pez n ARG 375 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pez s ALA 376 N -3.57 2.26 0.34 7.54 0.00 -1.26 -4.86 121.76 122.21 1pez s ALA 376 Ca 0.50 0.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 1pez s ALA 376 Cb 0.41 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 20.24 1pez s ALA 376 CO 0.03 -1.69 1.28 0.50 0.00 0.00 0.00 175.76 175.87 1pez s ARG 377 N -5.00 4.33 0.11 0.00 3.52 -1.26 -4.89 118.95 115.76 1pez s ARG 377 Ca 0.60 2.15 -0.31 0.00 -0.13 0.00 0.00 55.73 58.05 1pez s ARG 377 Cb -0.16 -3.03 -0.10 0.00 -1.56 0.00 0.00 34.95 30.10 1pez s ARG 377 CO 0.55 -0.19 1.87 1.51 -0.81 0.00 0.00 175.30 178.24 1pez n ILE 378 N 0.73 0.44 0.73 4.11 3.06 -0.72 -4.85 119.36 122.86 1pez n ILE 378 Ca 0.00 -0.08 0.12 0.00 -2.50 0.00 0.00 62.75 60.30 1pez n ILE 378 Cb 0.42 -2.18 0.49 0.00 0.54 0.00 0.00 39.64 38.91 1pez n ILE 378 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1pez n PRO 379 N 6.02 0.11 -3.48 9.51 -0.04 -1.26 -4.92 135.00 140.94 1pez n PRO 379 Ca 0.18 0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.66 1pez n PRO 379 Cb 0.38 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1pez n PRO 379 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pez s SER 380 N -3.63 -0.57 -0.26 3.54 0.15 -1.26 -5.03 113.70 106.64 1pez s SER 380 Ca 0.11 0.31 0.11 0.00 0.70 0.00 0.00 55.95 57.17 1pez s SER 380 Cb 0.14 0.53 0.46 0.00 -1.71 0.00 0.00 66.02 65.44 1pez s SER 380 CO 0.49 -0.75 1.18 0.49 1.20 0.00 0.00 173.24 175.86 1pez n PHE 381 N 0.22 1.93 -2.68 3.44 3.72 -1.26 -4.96 117.46 117.87 1pez n PHE 381 Ca -0.17 -2.01 -0.39 0.00 -0.05 0.00 0.00 57.45 54.84 1pez n PHE 381 Cb 0.61 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.79 1pez n PHE 381 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pez s SER 382 N -3.50 7.40 0.00 4.37 0.15 -1.26 -4.95 113.70 115.91 1pez s SER 382 Ca 0.45 2.00 0.21 0.00 0.70 0.00 0.00 55.95 59.31 1pez s SER 382 Cb 0.39 -2.60 0.38 0.00 -1.71 0.00 0.00 66.02 62.47 1pez s SER 382 CO 0.00 -0.03 1.33 0.35 1.20 0.00 0.00 173.24 176.09 1pez n THR 383 N 1.04 0.50 1.27 6.45 -2.24 -1.26 -4.49 114.28 115.55 1pez n THR 383 Ca -0.00 -0.75 0.13 0.00 -2.27 0.00 0.00 64.05 61.16 1pez n THR 383 Cb 0.48 0.97 0.33 0.00 -2.10 0.00 0.00 70.33 70.00 1pez n THR 383 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1pez n SER 384 N 1.31 2.02 -4.79 3.42 7.64 -1.26 -4.58 113.62 117.38 1pez n SER 384 Ca 0.17 -1.62 -0.34 0.00 1.01 0.00 0.00 58.87 58.09 1pez n SER 384 Cb 0.56 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 1pez n SER 384 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1pez s THR 385 N -2.07 3.70 0.23 0.44 -4.23 -1.26 -4.94 115.64 107.52 1pez s THR 385 Ca 0.32 1.07 -0.07 0.00 -1.18 0.00 0.00 61.69 61.83 1pez s THR 385 Cb 0.20 -3.44 0.20 0.00 1.34 0.00 0.00 72.50 70.81 1pez s THR 385 CO 0.35 -0.22 1.88 0.74 -0.54 0.00 0.00 174.62 176.83 1pez h THR 386 N 1.54 1.15 -0.84 3.99 2.02 -1.92 -2.15 112.91 116.70 1pez h THR 386 Ca -0.50 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1pez h THR 386 Cb 1.23 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1pez h THR 386 CO 0.59 0.20 0.48 0.00 0.37 0.00 0.00 175.52 177.15 1pez h ALA 387 N 1.35 1.26 -0.40 6.16 0.00 -1.92 0.39 119.26 126.09 1pez h ALA 387 Ca 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1pez h ALA 387 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1pez h ALA 387 CO -0.11 0.61 0.14 -0.92 0.00 0.00 0.00 179.25 178.97 1pez h TYR 388 N 1.17 0.63 -0.36 0.00 5.03 -1.58 -2.33 116.97 119.54 1pez h TYR 388 Ca 0.30 -0.06 -0.06 0.00 2.58 0.00 0.00 58.73 61.49 1pez h TYR 388 Cb -0.00 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 1pez h TYR 388 CO 0.01 0.58 -0.04 1.96 -1.32 0.00 0.00 178.16 179.35 1pez h GLN 389 N 0.50 0.58 -0.09 1.82 4.20 -0.86 -0.82 115.11 120.44 1pez h GLN 389 Ca 0.13 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1pez h GLN 389 Cb 0.24 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1pez h GLN 389 CO -0.01 0.63 0.06 0.28 -0.67 0.00 0.00 178.83 179.12 1pez h VAL 390 N 0.54 1.03 -0.46 -0.54 2.07 -0.62 -0.91 116.25 117.36 1pez h VAL 390 Ca 0.11 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1pez h VAL 390 Cb 0.41 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1pez h VAL 390 CO 0.02 0.03 0.02 0.40 0.02 0.00 0.00 177.57 178.06 1pez h ILE 391 N 0.11 1.23 -0.70 4.57 2.04 -1.19 -1.49 117.51 122.08 1pez h ILE 391 Ca 0.03 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1pez h ILE 391 Cb -0.00 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1pez h ILE 391 CO -0.01 0.33 0.22 -0.61 0.00 0.00 0.00 178.15 178.08 1pez h GLN 392 N 0.70 1.09 0.00 2.37 4.15 -0.77 0.80 115.11 123.45 1pez h GLN 392 Ca 0.14 -0.24 -0.19 0.00 0.77 0.00 0.00 58.65 59.14 1pez h GLN 392 Cb 0.40 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1pez h GLN 392 CO 0.01 0.94 -0.94 0.87 -1.93 0.00 0.00 178.83 177.78 1pez h LYS 393 N 1.03 0.00 0.01 1.69 1.57 -0.93 -3.40 116.57 116.54 1pez h LYS 393 Ca 0.23 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.63 1pez h LYS 393 Cb 0.31 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 1pez h LYS 393 CO -0.01 0.79 -2.37 1.28 -0.57 0.00 0.00 179.45 178.58 1pez n LEU 394 N -3.27 1.27 -0.18 2.94 4.77 -0.58 -4.51 117.00 117.44 1pez n LEU 394 Ca -0.01 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 1pez n LEU 394 Cb 0.89 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.95 1pez n LEU 394 CO 0.45 0.67 0.99 0.00 -1.33 0.00 0.00 177.39 178.17 1pez h ALA 395 N 0.59 0.69 0.00 -1.18 0.00 -1.04 -1.85 119.26 116.47 1pez h ALA 395 Ca -0.54 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1pez h ALA 395 Cb 2.10 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1pez h ALA 395 CO -0.01 -0.17 -0.01 -1.35 0.00 0.00 0.00 179.25 177.71 1pez h PRO 396 N 0.41 0.00 0.00 0.00 0.11 -1.78 -2.22 132.00 128.52 1pez h PRO 396 Ca 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 1pez h PRO 396 Cb 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1pez h PRO 396 CO -0.25 0.01 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.44 1pez h LEU 397 N 0.00 0.00 -1.63 2.35 3.38 -1.56 -0.66 115.31 117.18 1pez h LEU 397 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pez h LEU 397 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pez h LEU 397 CO 0.00 0.05 -0.09 0.03 0.09 0.00 0.00 178.44 178.52 1pez h ARG 398 N 0.00 0.00 0.05 1.13 3.08 -1.52 0.29 114.38 117.41 1pez h ARG 398 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1pez h ARG 398 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1pez h ARG 398 CO 0.01 0.09 -1.57 1.63 -1.07 0.00 0.00 179.97 179.05 1pez n LYS 399 N -3.30 0.64 0.09 0.04 4.76 -0.33 -4.42 118.16 115.63 1pez n LYS 399 Ca -0.00 0.45 -0.03 0.00 -2.87 0.00 0.00 58.31 55.86 1pez n LYS 399 Cb 0.30 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 31.71 1pez n LYS 399 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pez h SER 400 N -0.59 0.00 -3.84 4.39 4.64 -1.28 -3.42 113.55 113.45 1pez h SER 400 Ca -0.39 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.28 1pez h SER 400 Cb 1.60 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.28 1pez h SER 400 CO -0.10 0.76 -0.70 0.21 -0.87 0.00 0.00 176.83 176.13 1pez s ASN 401 N -6.54 4.68 0.38 4.97 3.84 0.10 -4.96 114.94 117.41 1pez s ASN 401 Ca 0.02 -2.34 0.25 0.00 0.21 0.00 0.00 52.86 50.99 1pez s ASN 401 Cb 0.09 -1.64 1.34 0.00 -0.55 0.00 0.00 41.25 40.49 1pez s ASN 401 CO 0.79 -0.35 1.75 1.55 -2.79 0.00 0.00 177.10 178.05 1pez h PRO 402 N 7.38 0.00 -0.42 0.43 0.13 -1.82 -1.05 132.00 136.65 1pez h PRO 402 Ca -0.05 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.00 1pez h PRO 402 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1pez h PRO 402 CO 0.56 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.28 1pez h ALA 403 N 1.95 1.13 0.02 -0.56 0.00 -1.82 0.26 119.26 120.23 1pez h ALA 403 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 1pez h ALA 403 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1pez h ALA 403 CO 0.00 0.55 -0.95 0.82 0.00 0.00 0.00 179.25 179.67 1pez h ILE 404 N 0.65 1.58 0.23 0.00 2.04 -1.48 0.20 117.51 120.74 1pez h ILE 404 Ca 0.12 -2.96 -0.32 0.00 1.00 0.00 0.00 64.86 62.71 1pez h ILE 404 Cb 0.48 2.66 0.03 0.00 -0.74 0.00 0.00 36.82 39.25 1pez h ILE 404 CO 0.03 0.85 -1.42 0.00 0.00 0.00 0.00 178.15 177.61 1pez h ALA 405 N 0.97 -0.12 0.00 1.87 0.00 -1.47 -3.41 119.26 117.09 1pez h ALA 405 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1pez h ALA 405 Cb 1.64 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1pez h ALA 405 CO 0.14 0.68 0.00 0.66 0.00 0.00 0.00 179.25 180.73 1pez n TYR 406 N -3.77 0.00 -1.12 0.00 4.01 0.90 -4.63 117.16 112.55 1pez n TYR 406 Ca -0.18 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.24 1pez n TYR 406 Cb 1.06 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 40.21 1pez n TYR 406 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1pez s GLY 407 N -0.57 1.96 0.82 2.72 0.00 0.72 -4.93 107.32 108.03 1pez s GLY 407 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 44.72 45.25 1pez s GLY 407 CO 0.00 1.05 1.11 -1.35 0.00 0.00 0.00 173.10 173.91 1pez s SER 408 N -2.54 4.33 -0.11 1.64 1.04 -0.60 -4.70 113.70 112.76 1pez s SER 408 Ca 0.69 1.19 0.03 0.00 0.48 0.00 0.00 55.95 58.34 1pez s SER 408 Cb -0.24 -1.89 0.01 0.00 0.10 0.00 0.00 66.02 64.00 1pez s SER 408 CO 0.52 -2.06 -0.20 -0.89 0.98 0.00 0.00 173.24 171.59 1pez s THR 409 N -3.21 1.79 -0.03 2.02 2.01 -1.26 -2.82 115.64 114.14 1pez s THR 409 Ca 0.61 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 1pez s THR 409 Cb -0.14 -1.59 0.03 0.00 0.01 0.00 0.00 72.50 70.81 1pez s THR 409 CO 0.54 0.50 0.02 -1.58 -0.69 0.00 0.00 174.62 173.40 1pez s GLN 410 N 0.67 0.17 0.05 4.92 0.74 -0.49 -4.96 119.66 120.75 1pez s GLN 410 Ca -0.12 0.14 -0.31 0.00 0.05 0.00 0.00 55.36 55.13 1pez s GLN 410 Cb -0.16 -0.43 -0.06 0.00 1.10 0.00 0.00 33.01 33.46 1pez s GLN 410 CO 0.03 -0.17 1.28 -2.00 -0.55 0.00 0.00 175.29 173.87 1pez s GLU 411 N 1.19 4.37 0.00 1.67 -6.30 -1.26 -0.16 118.70 118.21 1pez s GLU 411 Ca -0.08 1.86 0.02 0.00 -2.50 0.00 0.00 54.97 54.28 1pez s GLU 411 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 34.13 30.59 1pez s GLU 411 CO -0.02 -0.38 0.17 0.54 0.02 0.00 0.00 175.26 175.59 1pez n ARG 412 N 4.34 5.23 -3.64 4.30 1.74 0.47 -4.93 116.66 124.17 1pez n ARG 412 Ca 0.10 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.98 1pez n ARG 412 Cb 0.45 -0.68 -0.07 0.00 -1.02 0.00 0.00 32.46 31.14 1pez n ARG 412 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1pez s TRP 413 N -1.08 -0.57 -0.16 -1.55 -0.00 -1.08 -4.46 118.94 110.05 1pez s TRP 413 Ca 0.01 1.39 -0.30 0.00 -0.00 0.00 0.00 56.10 57.21 1pez s TRP 413 Cb 0.02 0.34 0.11 0.00 -0.00 0.00 0.00 33.47 33.94 1pez s TRP 413 CO 0.09 -0.28 0.93 -1.50 -0.00 0.00 0.00 176.95 176.19 1pez s ILE 414 N 0.29 0.00 0.06 5.86 2.07 -1.26 -1.29 121.20 126.94 1pez s ILE 414 Ca 0.02 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.24 1pez s ILE 414 Cb -0.05 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.55 1pez s ILE 414 CO -0.04 0.00 0.12 -0.46 -1.91 0.00 0.00 174.94 172.64 1pez n ASN 415 N 1.00 -0.34 -0.25 4.50 0.23 -0.54 -4.96 115.26 114.90 1pez n ASN 415 Ca -0.12 -1.27 0.04 0.00 -0.53 0.00 0.00 54.58 52.70 1pez n ASN 415 Cb 0.57 0.57 0.14 0.00 -2.08 0.00 0.00 39.78 38.99 1pez n ASN 415 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1pez h ASN 416 N 0.32 -0.40 0.00 0.53 -0.26 -1.98 -3.11 115.58 110.67 1pez h ASN 416 Ca -0.05 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1pez h ASN 416 Cb 0.20 0.36 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1pez h ASN 416 CO 0.07 -0.19 -0.73 0.47 -1.06 0.00 0.00 177.43 175.99 1pez n ASP 417 N -5.37 0.72 -4.32 5.81 8.00 -1.26 -1.88 116.55 118.26 1pez n ASP 417 Ca 0.13 -0.83 -0.32 0.00 0.71 0.00 0.00 54.79 54.48 1pez n ASP 417 Cb 0.45 1.02 -0.16 0.00 -0.02 0.00 0.00 41.12 42.42 1pez n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pez s VAL 418 N -2.42 2.24 -0.04 2.53 1.01 -1.18 -1.25 120.40 121.29 1pez s VAL 418 Ca 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1pez s VAL 418 Cb 0.11 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1pez s VAL 418 CO 0.61 0.58 0.04 -0.22 0.00 0.00 0.00 175.10 176.11 1pez s LEU 419 N -0.41 0.43 -0.23 3.92 2.96 -0.55 -1.46 118.68 123.34 1pez s LEU 419 Ca 0.04 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1pez s LEU 419 Cb -0.12 -0.17 0.04 0.00 0.50 0.00 0.00 46.19 46.44 1pez s LEU 419 CO 0.01 -0.21 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.07 1pez s ILE 420 N 1.87 2.29 0.27 6.68 1.01 -0.41 -1.29 121.20 131.62 1pez s ILE 420 Ca 0.01 -1.22 0.11 0.00 0.00 0.00 0.00 60.65 59.56 1pez s ILE 420 Cb -0.12 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 1pez s ILE 420 CO -0.03 0.25 -0.16 -0.72 0.00 0.00 0.00 174.94 174.28 1pez s TYR 421 N 1.23 2.38 -0.05 3.97 1.13 -0.30 -0.40 117.35 125.32 1pez s TYR 421 Ca -0.01 -0.31 0.06 0.00 -1.41 0.00 0.00 57.07 55.40 1pez s TYR 421 Cb -0.16 -1.05 -0.01 0.00 -1.10 0.00 0.00 41.96 39.64 1pez s TYR 421 CO -0.08 0.68 -0.22 -2.00 -2.51 0.00 0.00 175.55 171.42 1pez s GLU 422 N -3.49 2.23 -0.09 -3.49 2.12 0.78 -1.08 118.70 115.67 1pez s GLU 422 Ca 0.30 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 1pez s GLU 422 Cb -0.06 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 1pez s GLU 422 CO 0.16 0.35 -0.03 1.03 -0.54 0.00 0.00 175.26 176.22 1pez s ARG 423 N -0.13 3.01 -0.08 4.30 1.81 0.50 -1.40 118.95 126.95 1pez s ARG 423 Ca -0.02 -0.48 -0.06 0.00 -1.72 0.00 0.00 55.73 53.44 1pez s ARG 423 Cb -0.13 -2.73 0.03 0.00 -0.45 0.00 0.00 34.95 31.67 1pez s ARG 423 CO 0.03 0.61 0.20 0.21 -0.68 0.00 0.00 175.30 175.67 1pez s LYS 424 N -0.64 0.21 -0.29 3.54 2.20 -1.13 -1.59 119.74 122.04 1pez s LYS 424 Ca 0.10 0.33 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 1pez s LYS 424 Cb -0.12 0.05 0.19 0.00 -1.51 0.00 0.00 37.83 36.43 1pez s LYS 424 CO 0.02 -0.06 0.56 0.12 -0.36 0.00 0.00 175.35 175.63 1pez s PHE 425 N 0.40 -1.58 0.00 4.03 5.36 -0.71 -1.56 117.98 123.93 1pez s PHE 425 Ca -0.02 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 1pez s PHE 425 Cb -0.04 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 1pez s PHE 425 CO -0.02 -0.94 0.00 0.41 -1.46 0.00 0.00 175.22 173.21 1pez n GLY 426 N 5.42 2.24 2.22 13.12 0.00 -1.26 -2.38 105.19 124.54 1pez n GLY 426 Ca 0.01 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 1pez n GLY 426 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pez n SER 427 N 0.56 5.80 -3.78 1.61 7.64 -1.26 -4.81 113.62 119.38 1pez n SER 427 Ca 0.00 -2.81 -0.14 0.00 1.01 0.00 0.00 58.87 56.93 1pez n SER 427 Cb 0.00 -1.33 -0.15 0.00 -1.01 0.00 0.00 64.21 61.72 1pez n SER 427 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1pez s ASN 428 N 1.24 0.01 0.02 6.43 0.01 -1.00 -2.26 114.94 119.39 1pez s ASN 428 Ca 0.63 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.89 1pez s ASN 428 Cb 0.35 0.02 -0.02 0.00 0.41 0.00 0.00 41.25 42.01 1pez s ASN 428 CO -0.10 -0.11 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.65 1pez s VAL 429 N 0.91 0.17 -0.07 1.60 1.01 -0.08 -1.74 120.40 122.20 1pez s VAL 429 Ca -0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1pez s VAL 429 Cb -0.10 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.05 1pez s VAL 429 CO -0.03 -0.37 0.16 0.00 0.00 0.00 0.00 175.10 174.86 1pez s ALA 430 N -1.13 -0.31 -0.12 5.51 0.00 -0.62 -0.84 121.76 124.25 1pez s ALA 430 Ca -0.12 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.60 1pez s ALA 430 Cb -0.08 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 1pez s ALA 430 CO -0.01 -0.18 -0.21 0.08 0.00 0.00 0.00 175.76 175.45 1pez s VAL 431 N 1.22 2.29 -0.10 0.00 1.01 0.19 -0.37 120.40 124.63 1pez s VAL 431 Ca -0.09 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1pez s VAL 431 Cb -0.11 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1pez s VAL 431 CO -0.06 0.55 -0.21 -0.69 0.00 0.00 0.00 175.10 174.68 1pez s VAL 432 N 0.45 1.87 -0.13 2.92 1.01 -0.24 -0.77 120.40 125.51 1pez s VAL 432 Ca -0.15 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1pez s VAL 432 Cb -0.17 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1pez s VAL 432 CO 0.06 0.52 -0.14 0.00 0.00 0.00 0.00 175.10 175.54 1pez s ALA 433 N 0.55 2.58 -0.04 5.51 0.00 -0.23 -1.15 121.76 128.98 1pez s ALA 433 Ca -0.15 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1pez s ALA 433 Cb -0.17 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.79 1pez s ALA 433 CO 0.05 0.25 -0.06 0.08 0.00 0.00 0.00 175.76 176.08 1pez s VAL 434 N 0.35 0.62 -0.33 0.00 1.01 -0.41 -0.88 120.40 120.77 1pez s VAL 434 Ca -0.12 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1pez s VAL 434 Cb -0.16 -0.62 0.10 0.00 0.00 0.00 0.00 36.38 35.70 1pez s VAL 434 CO 0.06 0.24 0.04 0.21 0.00 0.00 0.00 175.10 175.65 1pez s ASN 435 N 0.76 4.63 0.52 3.32 2.47 -0.18 -1.49 114.94 124.97 1pez s ASN 435 Ca -0.11 -2.02 0.34 0.00 0.42 0.00 0.00 52.86 51.49 1pez s ASN 435 Cb -0.14 -1.51 1.46 0.00 -1.45 0.00 0.00 41.25 39.61 1pez s ASN 435 CO 0.01 -0.37 1.99 0.08 -3.72 0.00 0.00 177.10 175.09 1pez h ARG 436 N 7.69 0.00 -6.38 0.43 -0.00 -1.47 -2.84 114.38 111.82 1pez h ARG 436 Ca -0.07 0.00 -0.57 0.00 -0.00 0.00 0.00 59.98 59.34 1pez h ARG 436 Cb 1.02 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.95 1pez h ARG 436 CO 0.51 0.00 1.19 1.21 -0.00 0.00 0.00 179.97 182.88 1pez s ASN 437 N -5.38 6.09 0.07 0.08 3.84 -1.26 -4.71 114.94 113.66 1pez s ASN 437 Ca 0.01 1.12 0.24 0.00 0.21 0.00 0.00 52.86 54.44 1pez s ASN 437 Cb 0.09 -2.53 0.97 0.00 -0.55 0.00 0.00 41.25 39.23 1pez s ASN 437 CO 0.50 -1.58 1.76 0.18 -2.79 0.00 0.00 177.10 175.16 1pez n LEU 438 N 9.63 0.22 0.00 3.21 4.32 -1.26 -0.37 117.00 132.75 1pez n LEU 438 Ca 0.20 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.72 1pez n LEU 438 Cb 0.47 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1pez n LEU 438 CO 0.69 -0.16 0.22 0.59 -1.22 0.00 0.00 177.39 177.51 1pez n ASN 439 N -1.72 0.88 -3.81 -1.43 4.13 -1.26 -4.58 115.26 107.47 1pez n ASN 439 Ca 0.05 -1.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.08 1pez n ASN 439 Cb 0.30 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.37 1pez n ASN 439 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pez s ALA 440 N -0.00 0.83 0.97 5.41 0.00 -1.24 -5.00 121.76 122.73 1pez s ALA 440 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1pez s ALA 440 Cb 0.00 -0.75 0.17 0.00 0.00 0.00 0.00 23.12 22.54 1pez s ALA 440 CO 0.00 -0.41 1.09 -2.14 0.00 0.00 0.00 175.76 174.30 1pez s PRO 441 N 1.81 0.69 -0.03 0.00 0.02 -1.26 -4.29 135.00 131.93 1pez s PRO 441 Ca 0.03 0.75 0.02 0.00 0.02 0.00 0.00 61.00 61.82 1pez s PRO 441 Cb -0.13 -1.75 0.01 0.00 0.02 0.00 0.00 34.50 32.66 1pez s PRO 441 CO -0.05 -2.61 -0.08 0.00 -0.33 0.00 0.00 177.00 173.93 1pez s ALA 442 N -2.88 0.81 -0.49 -1.55 0.00 0.27 -4.92 121.76 113.00 1pez s ALA 442 Ca 0.65 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.18 1pez s ALA 442 Cb -0.19 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1pez s ALA 442 CO 0.58 0.09 0.59 0.45 0.00 0.00 0.00 175.76 177.47 1pez s SER 443 N 0.44 6.23 -0.40 0.00 0.15 -1.26 0.14 113.70 118.99 1pez s SER 443 Ca -0.07 -0.85 -0.17 0.00 0.70 0.00 0.00 55.95 55.56 1pez s SER 443 Cb -0.11 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1pez s SER 443 CO 0.01 -0.83 0.46 -0.63 1.20 0.00 0.00 173.24 173.44 1pez s ILE 444 N 2.54 5.06 0.04 6.45 1.09 -0.13 -4.99 121.20 131.26 1pez s ILE 444 Ca 0.15 -0.16 0.04 0.00 -1.10 0.00 0.00 60.65 59.57 1pez s ILE 444 Cb -0.19 -4.02 -0.02 0.00 -1.06 0.00 0.00 42.46 37.17 1pez s ILE 444 CO 0.13 -0.37 -0.11 -0.94 -0.10 0.00 0.00 174.94 173.54 1pez s SER 445 N 1.82 1.32 0.00 3.58 1.04 -1.26 -1.98 113.70 118.21 1pez s SER 445 Ca 0.14 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1pez s SER 445 Cb -0.16 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1pez s SER 445 CO 0.14 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1pez n GLY 446 N 1.72 0.73 3.68 7.32 0.00 -1.26 -5.02 105.19 112.36 1pez n GLY 446 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1pez n GLY 446 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pez s LEU 447 N 0.00 4.31 -0.07 0.99 2.96 -1.26 -4.96 118.68 120.65 1pez s LEU 447 Ca 0.00 2.09 0.05 0.00 -0.22 0.00 0.00 54.13 56.05 1pez s LEU 447 Cb 0.00 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 1pez s LEU 447 CO 0.00 -0.73 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.39 1pez s VAL 448 N 2.59 2.38 0.41 1.68 1.01 -1.26 -0.62 120.40 126.58 1pez s VAL 448 Ca 0.64 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1pez s VAL 448 Cb -0.31 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1pez s VAL 448 CO 0.26 0.57 0.19 0.42 0.00 0.00 0.00 175.10 176.53 1pez s THR 449 N -0.20 0.35 -1.06 3.92 -4.23 0.55 -4.90 115.64 110.07 1pez s THR 449 Ca -0.02 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.67 1pez s THR 449 Cb -0.13 -2.33 0.62 0.00 1.34 0.00 0.00 72.50 72.00 1pez s THR 449 CO 0.03 0.00 1.53 -1.20 -0.54 0.00 0.00 174.62 174.45 1pez n SER 450 N -1.53 4.27 -4.75 3.99 7.64 -1.26 -4.25 113.62 117.73 1pez n SER 450 Ca -0.02 -2.40 -0.41 0.00 1.01 0.00 0.00 58.87 57.05 1pez n SER 450 Cb 0.64 -0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1pez n SER 450 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pez s LEU 451 N -1.74 4.52 0.80 -3.43 1.43 -1.26 -4.98 118.68 114.01 1pez s LEU 451 Ca 0.45 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.59 1pez s LEU 451 Cb 0.29 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.97 1pez s LEU 451 CO 0.22 -0.18 1.14 -2.84 0.23 0.00 0.00 176.35 174.92 1pez s PRO 452 N -0.80 1.86 0.32 1.29 0.02 -1.26 -4.27 135.00 132.16 1pez s PRO 452 Ca 0.47 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 1pez s PRO 452 Cb -0.30 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.27 1pez s PRO 452 CO 0.37 -1.99 1.50 0.94 -0.33 0.00 0.00 177.00 177.49 1pez n GLN 453 N -3.44 2.53 -1.11 5.54 7.27 -1.25 -4.82 117.38 122.08 1pez n GLN 453 Ca 0.11 0.89 0.00 0.00 0.07 0.00 0.00 57.00 58.08 1pez n GLN 453 Cb 0.52 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.55 1pez n GLN 453 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pez n GLY 454 N 1.47 0.11 3.76 1.69 0.00 0.52 -4.98 105.19 107.77 1pez n GLY 454 Ca 0.06 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 1pez n GLY 454 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pez s SER 455 N -1.87 5.91 -0.12 1.61 0.15 -1.26 -0.72 113.70 117.40 1pez s SER 455 Ca 0.00 0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.94 1pez s SER 455 Cb 0.00 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1pez s SER 455 CO 0.00 0.33 -0.15 -0.31 1.20 0.00 0.00 173.24 174.31 1pez s TYR 456 N -0.57 2.05 0.27 3.44 2.02 0.52 -4.99 117.35 120.10 1pez s TYR 456 Ca 0.11 -1.03 -0.24 0.00 -0.37 0.00 0.00 57.07 55.54 1pez s TYR 456 Cb -0.12 -1.49 -0.09 0.00 -0.40 0.00 0.00 41.96 39.86 1pez s TYR 456 CO 0.02 -0.54 0.86 -0.80 -1.57 0.00 0.00 175.55 173.51 1pez s ASN 457 N 1.15 7.27 0.06 2.29 0.01 -1.26 -0.79 114.94 123.67 1pez s ASN 457 Ca -0.03 1.69 -0.31 0.00 -0.71 0.00 0.00 52.86 53.50 1pez s ASN 457 Cb -0.14 -2.52 -0.08 0.00 0.41 0.00 0.00 41.25 38.91 1pez s ASN 457 CO -0.05 0.00 1.72 -0.62 -1.51 0.00 0.00 177.10 176.64 1pez s ASP 458 N -1.57 6.56 0.54 -1.22 2.15 -1.25 -4.72 116.67 117.16 1pez s ASP 458 Ca 0.46 2.52 0.19 0.00 0.43 0.00 0.00 52.55 56.16 1pez s ASP 458 Cb -0.19 -2.56 1.41 0.00 -0.30 0.00 0.00 42.92 41.28 1pez s ASP 458 CO 0.23 -0.93 2.17 0.58 -0.17 0.00 0.00 175.17 177.06 1pez h VAL 459 N 4.96 0.88 0.00 1.11 2.07 -1.11 0.23 116.25 124.39 1pez h VAL 459 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1pez h VAL 459 Cb 1.21 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1pez h VAL 459 CO 0.94 0.00 0.00 0.18 0.02 0.00 0.00 177.57 178.71 1pez n LEU 460 N -4.37 0.00 -2.06 2.57 4.77 -1.26 -4.89 117.00 111.76 1pez n LEU 460 Ca -0.03 0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 1pez n LEU 460 Cb 0.09 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1pez n LEU 460 CO 0.32 -0.00 -0.22 0.61 -1.33 0.00 0.00 177.39 176.77 1pez n GLY 461 N 0.75 0.45 2.51 -0.72 0.00 0.82 -0.88 105.19 108.12 1pez n GLY 461 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1pez n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pez n GLY 462 N -0.72 0.89 0.35 -0.02 0.00 -1.26 -4.91 105.19 99.51 1pez n GLY 462 Ca -0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1pez n GLY 462 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pez h LEU 463 N 0.00 0.75 -3.71 0.99 5.85 -1.35 0.09 115.31 117.93 1pez h LEU 463 Ca 0.00 0.10 -0.48 0.00 0.84 0.00 0.00 57.88 58.35 1pez h LEU 463 Cb 0.00 -0.03 -0.29 0.00 0.37 0.00 0.00 40.66 40.71 1pez h LEU 463 CO 0.00 0.24 -0.09 0.18 -0.34 0.00 0.00 178.44 178.43 1pez n LEU 464 N -4.78 5.52 -2.08 2.25 4.77 -1.26 -4.90 117.00 116.52 1pez n LEU 464 Ca 0.24 -4.31 -0.18 0.00 -0.03 0.00 0.00 56.01 51.73 1pez n LEU 464 Cb 0.62 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1pez n LEU 464 CO 0.21 1.66 -0.21 0.59 -1.33 0.00 0.00 177.39 178.30 1pez n ASN 465 N -0.91 -5.24 -4.43 -1.43 4.13 0.02 -1.76 115.26 105.65 1pez n ASN 465 Ca 0.47 -0.03 -0.29 0.00 1.68 0.00 0.00 54.58 56.40 1pez n ASN 465 Cb 0.93 -4.30 0.18 0.00 -1.54 0.00 0.00 39.78 35.04 1pez n ASN 465 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pez s GLY 466 N -2.23 1.61 0.27 7.41 0.00 -1.22 -4.45 107.32 108.71 1pez s GLY 466 Ca 0.02 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1pez s GLY 466 CO 0.02 -0.04 0.17 0.54 0.00 0.00 0.00 173.10 173.80 1pez s ASN 467 N -4.06 1.11 0.24 1.64 4.22 -1.26 -4.47 114.94 112.36 1pez s ASN 467 Ca 0.67 -1.54 -0.25 0.00 -2.14 0.00 0.00 52.86 49.61 1pez s ASN 467 Cb -0.12 0.41 -0.09 0.00 1.28 0.00 0.00 41.25 42.73 1pez s ASN 467 CO 0.54 -0.90 0.84 -0.89 -2.04 0.00 0.00 177.10 174.65 1pez s THR 468 N -3.75 4.33 -0.04 0.54 2.01 -1.26 -3.81 115.64 113.66 1pez s THR 468 Ca 0.38 1.69 0.02 0.00 0.31 0.00 0.00 61.69 64.09 1pez s THR 468 Cb 0.05 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1pez s THR 468 CO 0.18 0.33 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.16 1pez s LEU 469 N -1.62 3.20 -0.21 4.42 2.96 0.03 -4.96 118.68 122.50 1pez s LEU 469 Ca 0.42 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1pez s LEU 469 Cb -0.21 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1pez s LEU 469 CO 0.25 0.33 -0.14 -0.44 -1.32 0.00 0.00 176.35 175.03 1pez s SER 470 N -1.05 3.68 -0.14 3.68 0.01 -1.26 -0.35 113.70 118.27 1pez s SER 470 Ca 0.14 -0.79 -0.01 0.00 1.31 0.00 0.00 55.95 56.60 1pez s SER 470 Cb -0.11 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 1pez s SER 470 CO 0.04 -0.06 -0.11 -0.69 0.41 0.00 0.00 173.24 172.84 1pez s VAL 471 N 1.28 3.26 0.00 3.43 1.01 0.10 -0.96 120.40 128.53 1pez s VAL 471 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1pez s VAL 471 Cb -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1pez s VAL 471 CO -0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1pez n GLY 472 N 3.58 1.17 3.83 4.51 0.00 0.28 -0.35 105.19 118.20 1pez n GLY 472 Ca -0.18 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1pez n GLY 472 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pez s SER 473 N -1.00 6.85 0.00 1.61 1.04 -1.26 -3.42 113.70 117.51 1pez s SER 473 Ca 0.00 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1pez s SER 473 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1pez s SER 473 CO 0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1pez n GLY 474 N -0.63 0.97 2.38 7.32 0.00 -1.26 -3.78 105.19 110.19 1pez n GLY 474 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1pez n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pez n GLY 475 N -2.00 0.57 3.70 -0.02 0.00 -1.22 -4.66 105.19 101.56 1pez n GLY 475 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1pez n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pez s ALA 476 N -2.40 3.38 0.16 4.61 0.00 -1.25 -0.33 121.76 125.93 1pez s ALA 476 Ca 0.00 0.58 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 1pez s ALA 476 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 1pez s ALA 476 CO 0.00 -0.54 0.58 0.00 0.00 0.00 0.00 175.76 175.80 1pez s ALA 477 N 1.68 3.55 0.43 0.00 0.00 0.21 -0.56 121.76 127.06 1pez s ALA 477 Ca 0.53 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.23 1pez s ALA 477 Cb -0.23 -2.59 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 1pez s ALA 477 CO 0.24 0.43 0.94 -1.54 0.00 0.00 0.00 175.76 175.82 1pez s SER 478 N -1.69 6.87 0.19 0.00 1.04 -0.14 -4.48 113.70 115.50 1pez s SER 478 Ca 0.39 1.63 -0.30 0.00 0.48 0.00 0.00 55.95 58.14 1pez s SER 478 Cb -0.15 -2.52 -0.17 0.00 0.10 0.00 0.00 66.02 63.28 1pez s SER 478 CO 0.19 -0.38 0.79 0.59 0.98 0.00 0.00 173.24 175.41 1pez n ASN 479 N -0.77 -0.19 -3.71 7.02 5.03 -1.26 -4.75 115.26 116.64 1pez n ASN 479 Ca 0.07 1.15 -0.10 0.00 0.87 0.00 0.00 54.58 56.56 1pez n ASN 479 Cb 0.54 -1.05 -0.06 0.00 -1.02 0.00 0.00 39.78 38.19 1pez n ASN 479 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1pez s PHE 480 N -0.75 -0.10 -0.22 3.10 -0.71 -0.84 -5.03 117.98 113.43 1pez s PHE 480 Ca 0.68 -0.23 -0.14 0.00 -1.04 0.00 0.00 56.93 56.20 1pez s PHE 480 Cb -0.92 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 1pez s PHE 480 CO 0.56 -0.64 0.31 0.99 -1.34 0.00 0.00 175.22 175.11 1pez s THR 481 N -3.67 5.25 -0.42 -4.49 2.01 -1.26 -0.96 115.64 112.10 1pez s THR 481 Ca 0.03 0.50 -0.17 0.00 0.31 0.00 0.00 61.69 62.36 1pez s THR 481 Cb 0.02 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1pez s THR 481 CO -0.11 0.28 0.42 -0.22 -0.69 0.00 0.00 174.62 174.29 1pez s LEU 482 N 1.30 4.91 0.94 4.42 2.96 0.12 -4.92 118.68 128.40 1pez s LEU 482 Ca 0.14 -0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 53.23 1pez s LEU 482 Cb -0.14 -2.35 0.10 0.00 0.50 0.00 0.00 46.19 44.29 1pez s LEU 482 CO 0.07 -0.56 0.82 0.00 -1.32 0.00 0.00 176.35 175.35 1pez n ALA 483 N 5.53 -1.62 -1.75 5.97 0.00 -1.26 -0.57 120.51 126.81 1pez n ALA 483 Ca -0.08 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1pez n ALA 483 Cb 0.47 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 1pez n ALA 483 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pez s ALA 484 N -2.53 3.90 0.00 0.00 0.00 -1.26 -0.11 121.76 121.76 1pez s ALA 484 Ca 0.62 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1pez s ALA 484 Cb -0.22 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1pez s ALA 484 CO 0.62 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1pez n GLY 485 N 3.71 0.18 3.77 0.00 0.00 0.51 -4.87 105.19 108.48 1pez n GLY 485 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1pez n GLY 485 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pez s GLY 486 N -2.00 2.96 -0.07 -0.02 0.00 0.84 -4.77 107.32 104.26 1pez s GLY 486 Ca 0.00 1.31 -0.03 0.00 0.00 0.00 0.00 44.72 46.01 1pez s GLY 486 CO 0.00 1.94 0.13 -1.59 0.00 0.00 0.00 173.10 173.59 1pez s THR 487 N -1.19 -0.18 0.08 0.90 2.01 -0.72 -1.01 115.64 115.53 1pez s THR 487 Ca 0.53 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.89 1pez s THR 487 Cb -0.40 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1pez s THR 487 CO 0.53 0.13 -0.09 0.00 -0.69 0.00 0.00 174.62 174.51 1pez s ALA 488 N 1.96 0.95 -0.05 7.40 0.00 -0.06 -3.38 121.76 128.59 1pez s ALA 488 Ca 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1pez s ALA 488 Cb -0.12 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1pez s ALA 488 CO -0.05 -0.06 0.01 0.08 0.00 0.00 0.00 175.76 175.74 1pez s VAL 489 N -2.34 0.19 -0.01 0.00 1.01 -1.26 -1.06 120.40 116.93 1pez s VAL 489 Ca 0.02 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1pez s VAL 489 Cb -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1pez s VAL 489 CO -0.01 0.20 -0.23 0.26 0.00 0.00 0.00 175.10 175.32 1pez s TRP 490 N 1.64 2.03 0.17 5.22 0.51 0.05 -0.42 118.94 128.14 1pez s TRP 490 Ca -0.01 -0.38 -0.06 0.00 -2.12 0.00 0.00 56.10 53.52 1pez s TRP 490 Cb -0.13 -1.29 -0.02 0.00 -0.81 0.00 0.00 33.47 31.22 1pez s TRP 490 CO -0.03 -0.01 0.22 1.14 -0.51 0.00 0.00 176.95 177.76 1pez s GLN 491 N -0.65 1.13 -0.19 4.98 -2.07 -1.26 0.55 119.66 122.16 1pez s GLN 491 Ca 0.09 -1.31 -0.10 0.00 -1.82 0.00 0.00 55.36 52.22 1pez s GLN 491 Cb -0.09 0.34 0.06 0.00 -1.09 0.00 0.00 33.01 32.23 1pez s GLN 491 CO -0.00 -0.39 0.45 -0.47 -1.32 0.00 0.00 175.29 173.55 1pez s TYR 492 N -4.02 -0.68 0.04 9.60 5.04 -0.02 -4.98 117.35 122.33 1pez s TYR 492 Ca 0.22 1.42 0.04 0.00 -2.44 0.00 0.00 57.07 56.31 1pez s TYR 492 Cb 0.05 0.32 -0.02 0.00 0.35 0.00 0.00 41.96 42.66 1pez s TYR 492 CO 0.03 -0.38 -0.11 0.95 -1.34 0.00 0.00 175.55 174.70 1pez s THR 493 N 1.53 0.82 0.10 4.34 -4.23 -1.26 -0.90 115.64 116.04 1pez s THR 493 Ca -0.09 -1.00 -0.26 0.00 -1.18 0.00 0.00 61.69 59.16 1pez s THR 493 Cb -0.08 -0.80 0.08 0.00 1.34 0.00 0.00 72.50 73.03 1pez s THR 493 CO -0.14 -0.17 0.87 0.00 -0.54 0.00 0.00 174.62 174.64 1pez s ALA 494 N -1.05 -1.68 0.34 3.99 0.00 -0.96 -5.02 121.76 117.40 1pez s ALA 494 Ca -0.03 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1pez s ALA 494 Cb -0.08 0.60 -0.11 0.00 0.00 0.00 0.00 23.12 23.53 1pez s ALA 494 CO 0.01 -0.87 1.41 0.00 0.00 0.00 0.00 175.76 176.31 1pez s ALA 495 N -3.33 3.55 -0.17 0.00 0.00 -1.26 -4.61 121.76 115.95 1pez s ALA 495 Ca 0.08 1.42 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 1pez s ALA 495 Cb -0.02 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1pez s ALA 495 CO -0.04 -0.86 0.26 0.99 0.00 0.00 0.00 175.76 176.11 1pez s THR 496 N -0.99 5.33 -0.03 0.00 2.01 -1.26 -4.71 115.64 115.99 1pez s THR 496 Ca 0.52 0.47 -0.21 0.00 0.31 0.00 0.00 61.69 62.78 1pez s THR 496 Cb -0.43 -3.60 -0.28 0.00 0.01 0.00 0.00 72.50 68.20 1pez s THR 496 CO 0.57 0.40 0.98 0.00 -0.69 0.00 0.00 174.62 175.87 1pez h ALA 497 N 6.71 -0.02 -2.65 7.40 0.00 -1.94 -3.34 119.26 125.41 1pez h ALA 497 Ca -0.41 -0.64 -0.58 0.00 0.00 0.00 0.00 54.91 53.28 1pez h ALA 497 Cb 1.16 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1pez h ALA 497 CO 0.76 0.36 -0.23 0.95 0.00 0.00 0.00 179.25 181.09 1pez s THR 498 N -2.76 5.07 0.14 0.00 -4.23 -1.26 -4.86 115.64 107.74 1pez s THR 498 Ca -0.13 0.37 -0.32 0.00 -1.18 0.00 0.00 61.69 60.43 1pez s THR 498 Cb 0.02 -3.64 -0.11 0.00 1.34 0.00 0.00 72.50 70.11 1pez s THR 498 CO 0.83 0.17 1.81 -2.65 -0.54 0.00 0.00 174.62 174.24 1pez n PRO 499 N 0.54 2.75 -3.78 3.99 -0.02 -1.11 -4.27 135.00 133.10 1pez n PRO 499 Ca -0.05 1.00 -0.23 0.00 -2.02 0.00 0.00 63.50 62.20 1pez n PRO 499 Cb 0.52 -2.88 -0.18 0.00 -0.02 0.00 0.00 33.50 30.95 1pez n PRO 499 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pez s THR 500 N 2.38 0.35 -0.21 3.45 2.01 0.86 -3.95 115.64 120.54 1pez s THR 500 Ca 0.81 0.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.73 1pez s THR 500 Cb -0.50 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1pez s THR 500 CO 0.37 0.25 0.67 -0.63 -0.69 0.00 0.00 174.62 174.59 1pez s ILE 501 N 1.93 4.98 -0.21 1.82 1.01 -1.26 -1.31 121.20 128.17 1pez s ILE 501 Ca 0.04 1.26 0.16 0.00 0.00 0.00 0.00 60.65 62.11 1pez s ILE 501 Cb -0.12 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.14 1pez s ILE 501 CO -0.05 0.07 0.43 0.61 0.00 0.00 0.00 174.94 176.00 1pez n GLY 502 N 3.82 -0.65 3.56 6.18 0.00 0.73 -4.96 105.19 113.86 1pez n GLY 502 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1pez n GLY 502 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pez s HIS 503 N -2.93 -0.43 -0.01 1.61 5.65 -0.83 -4.80 115.29 113.56 1pez s HIS 503 Ca -0.03 0.68 0.00 0.00 0.25 0.00 0.00 55.06 55.96 1pez s HIS 503 Cb 0.11 0.45 0.01 0.00 -1.18 0.00 0.00 32.58 31.97 1pez s HIS 503 CO 0.65 -0.42 0.00 0.08 -0.65 0.00 0.00 174.74 174.41 1pez s VAL 504 N -1.37 0.02 -0.24 0.89 1.01 -1.26 -1.05 120.40 118.39 1pez s VAL 504 Ca -0.03 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1pez s VAL 504 Cb -0.00 -0.05 0.07 0.00 0.00 0.00 0.00 36.38 36.39 1pez s VAL 504 CO 0.02 0.03 0.73 -0.83 0.00 0.00 0.00 175.10 175.05 1pez s GLY 505 N 0.27 -0.52 0.90 4.51 0.00 -0.50 -4.48 107.32 107.51 1pez s GLY 505 Ca -0.02 1.98 -0.12 0.00 0.00 0.00 0.00 44.72 46.56 1pez s GLY 505 CO -0.01 1.66 1.14 2.56 0.00 0.00 0.00 173.10 178.46 1pez s PRO 506 N 0.19 1.22 0.00 2.90 0.04 -1.26 0.97 135.00 139.05 1pez s PRO 506 Ca -0.01 0.26 0.23 0.00 0.04 0.00 0.00 61.00 61.51 1pez s PRO 506 Cb -0.04 -1.85 0.51 0.00 0.04 0.00 0.00 34.50 33.16 1pez s PRO 506 CO 0.02 -2.14 1.45 -1.33 0.04 0.00 0.00 177.00 175.04 1pez n MET 507 N -3.72 2.50 -3.66 4.56 2.81 -1.26 -4.84 117.12 113.51 1pez n MET 507 Ca 0.07 -2.30 -0.06 0.00 -1.81 0.00 0.00 57.70 53.60 1pez n MET 507 Cb 0.59 -1.52 -0.08 0.00 -0.71 0.00 0.00 33.22 31.51 1pez n MET 507 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1pez s MET 508 N -1.36 0.41 0.01 0.03 -2.45 -1.26 -1.05 119.30 113.64 1pez s MET 508 Ca 0.41 1.17 -0.29 0.00 -1.25 0.00 0.00 55.69 55.73 1pez s MET 508 Cb 0.23 0.50 0.11 0.00 1.25 0.00 0.00 34.83 36.91 1pez s MET 508 CO 0.31 -0.23 1.19 0.00 1.05 0.00 0.00 175.02 177.34 1pez s ALA 509 N 2.65 -2.06 0.47 4.11 0.00 -0.76 -4.83 121.76 121.33 1pez s ALA 509 Ca -0.03 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 1pez s ALA 509 Cb -0.12 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1pez s ALA 509 CO -0.15 -1.00 0.73 -1.59 0.00 0.00 0.00 175.76 173.75 1pez s LYS 510 N -2.66 3.16 0.53 0.00 -2.85 -1.26 -0.29 119.74 116.36 1pez s LYS 510 Ca 0.13 -0.25 -0.21 0.00 -1.00 0.00 0.00 55.97 54.64 1pez s LYS 510 Cb 0.03 -2.48 -0.07 0.00 -2.06 0.00 0.00 37.83 33.25 1pez s LYS 510 CO -0.03 -0.31 0.99 -2.30 0.10 0.00 0.00 175.35 173.80 1pez n PRO 511 N -2.19 1.12 0.00 1.78 -0.02 -1.26 -2.56 135.00 131.87 1pez n PRO 511 Ca 0.01 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1pez n PRO 511 Cb 0.57 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1pez n PRO 511 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pez n GLY 512 N 1.23 3.30 3.77 -1.23 0.00 0.79 -4.92 105.19 108.13 1pez n GLY 512 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1pez n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pez s VAL 513 N -2.58 3.75 -0.14 1.61 1.01 -1.06 -4.63 120.40 118.37 1pez s VAL 513 Ca 0.00 1.53 -0.19 0.00 0.00 0.00 0.00 61.98 63.32 1pez s VAL 513 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1pez s VAL 513 CO 0.00 0.19 0.55 -0.89 0.00 0.00 0.00 175.10 174.95 1pez s THR 514 N -1.44 5.12 0.29 3.92 2.01 -1.26 -0.72 115.64 123.55 1pez s THR 514 Ca 0.51 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.66 1pez s THR 514 Cb -0.25 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1pez s THR 514 CO 0.32 0.24 0.10 0.27 -0.69 0.00 0.00 174.62 174.86 1pez s ILE 515 N 1.11 3.57 -0.18 1.82 -4.36 -0.18 -4.71 121.20 118.27 1pez s ILE 515 Ca 0.28 -1.70 -0.01 0.00 -0.26 0.00 0.00 60.65 58.96 1pez s ILE 515 Cb -0.16 -3.03 -0.00 0.00 1.25 0.00 0.00 42.46 40.52 1pez s ILE 515 CO 0.11 -0.30 -0.11 -0.89 0.24 0.00 0.00 174.94 173.99 1pez s THR 516 N -2.31 2.90 -0.31 8.37 2.01 0.27 -2.36 115.64 124.22 1pez s THR 516 Ca 0.34 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 1pez s THR 516 Cb -0.06 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.21 1pez s THR 516 CO 0.22 0.48 0.06 -0.63 -0.69 0.00 0.00 174.62 174.07 1pez s ILE 517 N 1.12 3.65 0.14 1.82 1.01 -0.21 -1.41 121.20 127.33 1pez s ILE 517 Ca 0.01 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.76 1pez s ILE 517 Cb -0.14 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1pez s ILE 517 CO -0.03 -0.02 -0.04 -1.81 0.00 0.00 0.00 174.94 173.04 1pez s ASP 518 N 1.41 4.66 0.00 3.58 1.01 -0.21 -0.29 116.67 126.82 1pez s ASP 518 Ca -0.00 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 52.88 1pez s ASP 518 Cb -0.18 -0.96 0.00 0.00 1.01 0.00 0.00 42.92 42.78 1pez s ASP 518 CO 0.01 0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1pez n GLY 519 N 0.21 -0.62 3.11 0.21 0.00 -0.56 -0.19 105.19 107.34 1pez n GLY 519 Ca -0.11 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1pez n GLY 519 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pez s ARG 520 N -1.52 0.60 -0.41 1.61 1.81 -0.43 -4.25 118.95 116.37 1pez s ARG 520 Ca 0.00 -0.90 0.00 0.00 -1.72 0.00 0.00 55.73 53.11 1pez s ARG 520 Cb 0.00 0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.73 1pez s ARG 520 CO 0.00 -0.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.89 1pez n GLY 521 N 0.55 0.67 0.23 -3.53 0.00 -1.15 -0.09 105.19 101.86 1pez n GLY 521 Ca -0.17 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.44 1pez n GLY 521 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1pez h PHE 522 N 0.00 0.00 0.00 1.61 0.04 -1.53 -2.93 116.94 114.13 1pez h PHE 522 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1pez h PHE 522 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1pez h PHE 522 CO 0.17 0.17 0.00 0.41 -0.60 0.00 0.00 178.31 178.46 1pez n GLY 523 N 0.09 -0.66 0.12 -1.45 0.00 -1.26 -4.60 105.19 97.43 1pez n GLY 523 Ca 0.00 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.44 1pez n GLY 523 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pez h SER 524 N 0.00 0.00 -2.94 1.61 4.64 -1.88 -1.97 113.55 113.00 1pez h SER 524 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1pez h SER 524 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1pez h SER 524 CO 0.00 0.08 -0.26 -0.44 -0.87 0.00 0.00 176.83 175.34 1pez s SER 525 N -5.51 6.72 0.14 4.97 0.01 -1.26 -4.64 113.70 114.13 1pez s SER 525 Ca -0.00 0.85 -0.34 0.00 1.31 0.00 0.00 55.95 57.77 1pez s SER 525 Cb 0.09 -2.21 -0.15 0.00 0.21 0.00 0.00 66.02 63.96 1pez s SER 525 CO 0.78 0.34 1.44 0.29 0.41 0.00 0.00 173.24 176.50 1pez n LYS 526 N 1.89 1.71 0.00 12.44 5.02 -1.26 -4.15 118.16 133.81 1pez n LYS 526 Ca -0.15 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1pez n LYS 526 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1pez n LYS 526 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pez n GLY 527 N 2.86 2.08 3.13 0.72 0.00 -1.26 -4.26 105.19 108.45 1pez n GLY 527 Ca 0.17 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1pez n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pez s THR 528 N 4.15 1.04 -0.07 2.61 2.01 0.35 -4.61 115.64 121.11 1pez s THR 528 Ca 0.00 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.11 1pez s THR 528 Cb 0.00 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1pez s THR 528 CO 0.00 0.01 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.03 1pez s VAL 529 N -0.81 2.36 -0.08 3.82 1.01 0.05 -0.56 120.40 126.19 1pez s VAL 529 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1pez s VAL 529 Cb -0.08 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1pez s VAL 529 CO 0.01 0.57 -0.17 -0.31 0.00 0.00 0.00 175.10 175.20 1pez s TYR 530 N -0.15 2.66 -0.53 5.22 1.51 0.23 -0.27 117.35 126.03 1pez s TYR 530 Ca -0.03 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1pez s TYR 530 Cb -0.14 -1.69 0.14 0.00 -0.11 0.00 0.00 41.96 40.16 1pez s TYR 530 CO 0.04 -0.07 0.31 -0.06 -1.11 0.00 0.00 175.55 174.65 1pez s PHE 531 N -0.20 3.40 0.00 2.71 0.40 -0.29 -2.37 117.98 121.64 1pez s PHE 531 Ca -0.01 -2.85 0.00 0.00 -0.60 0.00 0.00 56.93 53.47 1pez s PHE 531 Cb -0.13 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.34 1pez s PHE 531 CO 0.03 -0.84 0.00 0.41 0.70 0.00 0.00 175.22 175.52 1pez n GLY 532 N 3.61 1.59 0.06 4.36 0.00 -0.24 -2.09 105.19 112.48 1pez n GLY 532 Ca 0.05 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1pez n GLY 532 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pez n THR 533 N 0.00 0.36 -2.26 2.61 -2.24 -1.26 -4.90 114.28 106.59 1pez n THR 533 Ca 0.00 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 1pez n THR 533 Cb 0.00 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1pez n THR 533 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1pez s THR 534 N -3.15 3.59 -0.15 4.28 2.01 -0.89 -5.01 115.64 116.31 1pez s THR 534 Ca 0.07 1.13 -0.09 0.00 0.31 0.00 0.00 61.69 63.10 1pez s THR 534 Cb 0.13 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1pez s THR 534 CO 0.71 0.08 0.16 0.00 -0.69 0.00 0.00 174.62 174.88 1pez s ALA 535 N 1.22 3.77 -0.10 7.40 0.00 -1.26 -1.13 121.76 131.64 1pez s ALA 535 Ca 0.63 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.97 1pez s ALA 535 Cb -0.34 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1pez s ALA 535 CO 0.29 0.37 -0.16 0.08 0.00 0.00 0.00 175.76 176.35 1pez s VAL 536 N -0.30 1.52 0.22 0.00 1.01 0.63 -4.99 120.40 118.48 1pez s VAL 536 Ca 0.12 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1pez s VAL 536 Cb -0.12 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1pez s VAL 536 CO 0.02 0.44 0.43 -0.94 0.00 0.00 0.00 175.10 175.05 1pez s SER 537 N 0.89 -0.08 0.03 3.32 1.04 -1.26 -0.77 113.70 116.87 1pez s SER 537 Ca -0.09 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1pez s SER 537 Cb -0.15 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1pez s SER 537 CO -0.00 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1pez n GLY 538 N -0.33 0.35 0.37 7.32 0.00 -1.26 -4.20 105.19 107.43 1pez n GLY 538 Ca -0.04 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1pez n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pez h ALA 539 N 0.00 1.98 0.00 4.61 0.00 -1.99 -0.94 119.26 122.91 1pez h ALA 539 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pez h ALA 539 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1pez h ALA 539 CO 0.00 -0.17 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 1pez n ASP 540 N -4.50 0.41 -4.43 0.00 9.92 -1.26 -3.75 116.55 112.95 1pez n ASP 540 Ca 0.14 0.60 -0.44 0.00 -0.53 0.00 0.00 54.79 54.56 1pez n ASP 540 Cb 0.45 -0.69 -0.03 0.00 -0.64 0.00 0.00 41.12 40.22 1pez n ASP 540 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1pez s ILE 541 N -3.19 4.81 0.25 0.53 1.01 -0.36 -0.92 121.20 123.33 1pez s ILE 541 Ca 0.06 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.17 1pez s ILE 541 Cb 0.10 -4.69 0.22 0.00 0.01 0.00 0.00 42.46 38.09 1pez s ILE 541 CO 0.35 -1.39 1.78 0.74 0.00 0.00 0.00 174.94 176.42 1pez h THR 542 N 5.71 0.81 -3.08 2.92 2.02 -0.82 -3.45 112.91 117.03 1pez h THR 542 Ca 0.05 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1pez h THR 542 Cb 1.04 0.08 -0.15 0.00 -1.74 0.00 0.00 68.15 67.38 1pez h THR 542 CO 1.07 0.12 -0.03 -0.94 0.37 0.00 0.00 175.52 176.11 1pez s SER 543 N -5.50 -0.33 -0.20 4.18 1.04 -1.06 -5.00 113.70 106.82 1pez s SER 543 Ca -0.12 -0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.14 1pez s SER 543 Cb 0.20 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.87 1pez s SER 543 CO 0.78 -0.77 0.48 0.86 0.98 0.00 0.00 173.24 175.57 1pez s TRP 544 N -3.03 -0.78 0.24 5.02 -0.11 -1.26 -1.15 118.94 117.87 1pez s TRP 544 Ca -0.02 1.56 -0.08 0.00 1.22 0.00 0.00 56.10 58.78 1pez s TRP 544 Cb 0.00 0.38 -0.01 0.00 -1.50 0.00 0.00 33.47 32.34 1pez s TRP 544 CO -0.06 -0.43 0.37 -1.83 -4.62 0.00 0.00 176.95 170.38 1pez s GLU 545 N 1.79 1.48 0.38 5.86 -1.05 -0.59 -4.74 118.70 121.83 1pez s GLU 545 Ca -0.08 -1.42 0.18 0.00 -0.15 0.00 0.00 54.97 53.51 1pez s GLU 545 Cb -0.09 0.41 1.13 0.00 -0.44 0.00 0.00 34.13 35.14 1pez s GLU 545 CO -0.15 -0.58 1.72 0.22 0.95 0.00 0.00 175.26 177.42 1pez h ASP 546 N 2.35 0.46 -0.01 0.83 3.58 -1.67 -2.61 116.42 119.35 1pez h ASP 546 Ca -0.29 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1pez h ASP 546 Cb 1.25 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1pez h ASP 546 CO 0.41 -0.00 -0.18 0.35 -2.88 0.00 0.00 179.24 176.94 1pez n THR 547 N -4.76 0.00 -3.72 2.25 -2.24 -1.26 -1.50 114.28 103.05 1pez n THR 547 Ca 0.29 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 1pez n THR 547 Cb 0.98 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 70.22 1pez n THR 547 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1pez s GLN 548 N -1.26 0.38 -0.05 -0.78 0.74 -0.98 -1.50 119.66 116.21 1pez s GLN 548 Ca 0.08 0.65 0.05 0.00 0.05 0.00 0.00 55.36 56.19 1pez s GLN 548 Cb 0.08 0.05 -0.01 0.00 1.10 0.00 0.00 33.01 34.23 1pez s GLN 548 CO 0.22 -0.12 -0.22 0.42 -0.55 0.00 0.00 175.29 175.05 1pez s ILE 549 N 0.93 1.82 -0.26 -2.34 1.01 0.60 -1.54 121.20 121.41 1pez s ILE 549 Ca -0.06 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 1pez s ILE 549 Cb -0.07 -1.55 0.04 0.00 0.01 0.00 0.00 42.46 40.90 1pez s ILE 549 CO -0.07 0.51 -0.06 -0.75 0.00 0.00 0.00 174.94 174.57 1pez s LYS 550 N -0.06 2.56 0.01 2.79 2.47 -0.30 -1.04 119.74 126.17 1pez s LYS 550 Ca -0.05 -1.16 0.01 0.00 -1.56 0.00 0.00 55.97 53.22 1pez s LYS 550 Cb -0.13 -3.00 -0.01 0.00 -1.46 0.00 0.00 37.83 33.23 1pez s LYS 550 CO 0.03 -0.50 -0.04 0.54 0.16 0.00 0.00 175.35 175.54 1pez s VAL 551 N 1.24 0.28 0.11 4.02 0.11 -1.00 -0.41 120.40 124.77 1pez s VAL 551 Ca -0.04 -0.40 -0.29 0.00 -2.93 0.00 0.00 61.98 58.32 1pez s VAL 551 Cb -0.18 -0.29 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 1pez s VAL 551 CO -0.04 -0.08 0.91 -0.54 -3.33 0.00 0.00 175.10 172.02 1pez s LYS 552 N -0.52 4.67 0.10 1.54 1.02 -0.10 -1.01 119.74 125.44 1pez s LYS 552 Ca -0.03 1.37 -0.31 0.00 0.02 0.00 0.00 55.97 57.02 1pez s LYS 552 Cb -0.04 -3.36 -0.09 0.00 -0.52 0.00 0.00 37.83 33.83 1pez s LYS 552 CO -0.00 0.27 1.56 0.42 -0.92 0.00 0.00 175.35 176.68 1pez s ILE 553 N -0.18 3.01 0.75 2.17 1.01 0.10 -4.82 121.20 123.24 1pez s ILE 553 Ca 0.44 0.61 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 1pez s ILE 553 Cb -0.23 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 38.89 1pez s ILE 553 CO 0.29 0.02 1.10 -2.16 0.00 0.00 0.00 174.94 174.18 1pez s PRO 554 N 1.89 2.38 -1.43 2.79 0.04 -1.26 -0.15 135.00 139.26 1pez s PRO 554 Ca 0.70 1.23 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 1pez s PRO 554 Cb -0.40 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1pez s PRO 554 CO 0.31 -1.56 2.66 0.00 0.04 0.00 0.00 177.00 178.45 1pez n ALA 555 N -3.26 6.57 -2.45 8.56 0.00 -1.26 -4.54 120.51 124.13 1pez n ALA 555 Ca 0.09 -3.25 -0.23 0.00 0.00 0.00 0.00 53.44 50.06 1pez n ALA 555 Cb 0.53 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.65 1pez n ALA 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pez s VAL 556 N 2.67 4.40 0.61 0.00 -7.23 -1.26 -5.06 120.40 114.53 1pez s VAL 556 Ca 0.60 -0.53 -0.19 0.00 -1.81 0.00 0.00 61.98 60.05 1pez s VAL 556 Cb 0.16 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 1pez s VAL 556 CO -0.05 -0.40 1.31 0.00 -0.31 0.00 0.00 175.10 175.65 1pez s ALA 557 N -2.44 2.54 0.41 1.32 0.00 -1.26 -4.91 121.76 117.42 1pez s ALA 557 Ca 0.45 1.25 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 1pez s ALA 557 Cb -0.10 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 1pez s ALA 557 CO 0.37 -1.50 1.33 0.41 0.00 0.00 0.00 175.76 176.37 1pez n GLY 558 N 0.82 0.72 0.00 0.00 0.00 -1.26 -4.90 105.19 100.57 1pez n GLY 558 Ca 0.14 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1pez n GLY 558 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pez n GLY 559 N 0.71 -1.63 3.61 -0.02 0.00 -0.45 -4.56 105.19 102.85 1pez n GLY 559 Ca 0.05 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1pez n GLY 559 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pez s ASN 560 N -3.05 5.86 0.16 1.61 2.47 -1.26 -0.69 114.94 120.03 1pez s ASN 560 Ca 0.00 0.03 0.09 0.00 0.42 0.00 0.00 52.86 53.40 1pez s ASN 560 Cb 0.00 -2.06 -0.04 0.00 -1.45 0.00 0.00 41.25 37.70 1pez s ASN 560 CO 0.00 0.04 -0.19 -0.31 -3.72 0.00 0.00 177.10 172.92 1pez s TYR 561 N 1.18 1.86 -0.11 0.43 1.51 0.20 -4.92 117.35 117.50 1pez s TYR 561 Ca 0.06 -0.45 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 1pez s TYR 561 Cb -0.14 -0.94 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1pez s TYR 561 CO 0.05 0.32 0.40 -0.80 -1.11 0.00 0.00 175.55 174.42 1pez s ASN 562 N -2.55 6.63 -0.12 2.29 0.01 -1.26 -1.30 114.94 118.64 1pez s ASN 562 Ca 0.15 0.75 -0.07 0.00 -0.71 0.00 0.00 52.86 52.97 1pez s ASN 562 Cb -0.07 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1pez s ASN 562 CO 0.06 0.10 0.15 -0.63 -1.51 0.00 0.00 177.10 175.27 1pez s ILE 563 N 0.21 5.50 0.00 0.60 -1.09 0.11 -1.08 121.20 125.46 1pez s ILE 563 Ca 0.23 0.22 -0.24 0.00 -2.23 0.00 0.00 60.65 58.63 1pez s ILE 563 Cb -0.15 -3.41 0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1pez s ILE 563 CO 0.09 0.61 0.53 -0.75 -1.23 0.00 0.00 174.94 174.19 1pez s LYS 564 N -1.05 0.97 0.20 2.79 2.20 -1.00 -0.36 119.74 123.49 1pez s LYS 564 Ca 0.15 -0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1pez s LYS 564 Cb -0.12 0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1pez s LYS 564 CO 0.04 -0.32 -0.01 0.14 -0.36 0.00 0.00 175.35 174.85 1pez s VAL 565 N -1.78 0.90 0.01 4.02 -7.23 -1.26 0.78 120.40 115.84 1pez s VAL 565 Ca -0.09 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.07 1pez s VAL 565 Cb -0.01 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 1pez s VAL 565 CO 0.04 -0.41 -0.04 0.00 -0.31 0.00 0.00 175.10 174.38 1pez s ALA 566 N -3.51 0.29 0.96 1.32 0.00 0.28 -0.63 121.76 120.46 1pez s ALA 566 Ca 0.26 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 1pez s ALA 566 Cb 0.06 -0.03 0.18 0.00 0.00 0.00 0.00 23.12 23.32 1pez s ALA 566 CO 0.06 0.03 1.23 0.54 0.00 0.00 0.00 175.76 177.62 1pez s ASN 567 N -0.43 3.16 0.46 0.00 2.20 -0.71 -0.50 114.94 119.12 1pez s ASN 567 Ca -0.02 0.55 0.24 0.00 -0.94 0.00 0.00 52.86 52.69 1pez s ASN 567 Cb -0.03 -0.82 1.25 0.00 -2.00 0.00 0.00 41.25 39.65 1pez s ASN 567 CO -0.00 -2.73 1.83 0.00 -2.94 0.00 0.00 177.10 173.26 1pez h ALA 568 N -1.63 2.49 0.00 3.54 0.00 -1.74 0.35 119.26 122.27 1pez h ALA 568 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pez h ALA 568 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1pez h ALA 568 CO 0.48 -0.81 0.00 0.00 0.00 0.00 0.00 179.25 178.92 1pez n ALA 569 N -2.58 2.17 -0.01 0.00 0.00 -1.26 -4.91 120.51 113.92 1pez n ALA 569 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1pez n ALA 569 Cb 0.89 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1pez n ALA 569 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pez n GLY 570 N 1.14 0.46 3.69 0.00 0.00 0.12 -5.06 105.19 105.54 1pez n GLY 570 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1pez n GLY 570 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pez s THR 571 N -2.02 3.92 0.47 2.61 2.01 -1.26 -4.73 115.64 116.64 1pez s THR 571 Ca 0.00 1.28 -0.17 0.00 0.31 0.00 0.00 61.69 63.11 1pez s THR 571 Cb 0.00 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 1pez s THR 571 CO 0.00 -0.00 0.94 0.00 -0.69 0.00 0.00 174.62 174.87 1pez s ALA 572 N 2.34 3.09 0.40 7.40 0.00 -1.26 -1.74 121.76 132.00 1pez s ALA 572 Ca 0.61 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1pez s ALA 572 Cb -0.29 -3.08 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1pez s ALA 572 CO 0.25 -0.07 0.52 -1.13 0.00 0.00 0.00 175.76 175.32 1pez n SER 573 N -1.20 1.61 -4.75 0.00 3.41 0.19 -4.67 113.62 108.23 1pez n SER 573 Ca 0.06 -2.13 -0.30 0.00 -0.26 0.00 0.00 58.87 56.25 1pez n SER 573 Cb 0.54 -0.25 0.12 0.00 -0.26 0.00 0.00 64.21 64.36 1pez n SER 573 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pez s ASN 574 N -3.48 3.80 -0.14 4.04 4.22 -1.25 -4.76 114.94 117.35 1pez s ASN 574 Ca 0.39 1.41 -0.13 0.00 -2.14 0.00 0.00 52.86 52.39 1pez s ASN 574 Cb -0.03 -2.10 -0.05 0.00 1.28 0.00 0.00 41.25 40.35 1pez s ASN 574 CO 0.25 -2.42 0.28 -0.69 -2.04 0.00 0.00 177.10 172.47 1pez s VAL 575 N -3.02 5.30 -0.38 3.54 1.01 -1.26 -4.60 120.40 120.99 1pez s VAL 575 Ca 0.63 0.52 -0.06 0.00 0.00 0.00 0.00 61.98 63.06 1pez s VAL 575 Cb -0.17 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1pez s VAL 575 CO 0.56 0.44 0.17 -0.47 0.00 0.00 0.00 175.10 175.80 1pez s TYR 576 N 0.09 3.36 0.77 5.22 6.14 0.51 -4.94 117.35 128.50 1pez s TYR 576 Ca 0.17 -1.75 -0.05 0.00 0.64 0.00 0.00 57.07 56.07 1pez s TYR 576 Cb -0.13 -2.73 0.16 0.00 0.42 0.00 0.00 41.96 39.69 1pez s TYR 576 CO 0.05 -0.84 1.05 -0.40 0.64 0.00 0.00 175.55 176.05 1pez n ASP 577 N 4.78 0.87 -1.17 4.32 5.75 -1.26 0.10 116.55 129.93 1pez n ASP 577 Ca -0.09 -1.86 -0.12 0.00 -0.01 0.00 0.00 54.79 52.70 1pez n ASP 577 Cb 0.43 -0.73 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 1pez n ASP 577 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1pez n ASN 578 N -3.22 -4.12 -4.72 -1.12 5.15 -1.21 -4.86 115.26 101.16 1pez n ASN 578 Ca 0.16 0.13 -0.41 0.00 -0.60 0.00 0.00 54.58 53.85 1pez n ASN 578 Cb 0.55 -3.03 -0.04 0.00 -0.53 0.00 0.00 39.78 36.73 1pez n ASN 578 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1pez s PHE 579 N -2.53 3.70 -0.25 1.20 5.36 -0.42 -4.85 117.98 120.20 1pez s PHE 579 Ca 0.00 1.64 -0.06 0.00 -0.96 0.00 0.00 56.93 57.55 1pez s PHE 579 Cb 0.00 -3.02 -0.02 0.00 -0.34 0.00 0.00 43.02 39.64 1pez s PHE 579 CO 0.00 0.10 0.03 -2.00 -1.46 0.00 0.00 175.22 171.89 1pez s GLU 580 N 0.55 3.48 -0.30 10.12 2.12 -0.21 0.59 118.70 135.06 1pez s GLU 580 Ca 0.47 -0.58 -0.18 0.00 0.36 0.00 0.00 54.97 55.04 1pez s GLU 580 Cb -0.21 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1pez s GLU 580 CO 0.27 -0.23 0.52 0.08 -0.54 0.00 0.00 175.26 175.36 1pez s VAL 581 N 1.55 5.04 0.80 3.70 1.01 0.13 -1.84 120.40 130.79 1pez s VAL 581 Ca 0.06 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 1pez s VAL 581 Cb -0.15 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1pez s VAL 581 CO 0.01 -0.04 1.09 -0.76 0.00 0.00 0.00 175.10 175.40 1pez s LEU 582 N 2.37 2.67 0.00 3.92 1.43 0.60 -1.34 118.68 128.33 1pez s LEU 582 Ca 0.21 1.46 0.29 0.00 -1.03 0.00 0.00 54.13 55.06 1pez s LEU 582 Cb -0.15 -4.09 1.28 0.00 0.03 0.00 0.00 46.19 43.26 1pez s LEU 582 CO 0.11 -2.04 1.87 -1.20 0.23 0.00 0.00 176.35 175.33 1pez n SER 583 N -3.49 1.06 0.00 2.29 7.64 -1.26 -4.44 113.62 115.42 1pez n SER 583 Ca 0.07 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.59 1pez n SER 583 Cb 0.55 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1pez n SER 583 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pez n GLY 584 N 1.12 0.27 3.66 0.23 0.00 -1.26 -4.96 105.19 104.25 1pez n GLY 584 Ca 0.20 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 1pez n GLY 584 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pez n ASP 585 N 1.82 0.80 -4.48 1.61 8.00 -1.26 -4.78 116.55 118.25 1pez n ASP 585 Ca 0.00 0.61 -0.30 0.00 0.71 0.00 0.00 54.79 55.81 1pez n ASP 585 Cb 0.00 -1.47 -0.12 0.00 -0.02 0.00 0.00 41.12 39.51 1pez n ASP 585 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1pez s GLN 586 N -3.84 1.96 0.05 -1.24 -1.52 -1.26 -0.53 119.66 113.28 1pez s GLN 586 Ca 0.73 -1.06 0.03 0.00 -1.95 0.00 0.00 55.36 53.11 1pez s GLN 586 Cb -0.31 -2.17 -0.02 0.00 -0.22 0.00 0.00 33.01 30.29 1pez s GLN 586 CO 0.51 0.51 -0.10 0.14 -0.25 0.00 0.00 175.29 176.10 1pez s VAL 587 N -1.04 0.79 -0.24 1.09 -7.23 -0.24 -4.79 120.40 108.74 1pez s VAL 587 Ca 0.17 -1.04 -0.19 0.00 -1.81 0.00 0.00 61.98 59.10 1pez s VAL 587 Cb -0.11 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 1pez s VAL 587 CO 0.08 -0.22 0.57 -0.55 -0.31 0.00 0.00 175.10 174.67 1pez s SER 588 N -1.40 6.55 -0.06 4.85 0.15 -1.26 -1.38 113.70 121.13 1pez s SER 588 Ca -0.05 0.66 0.05 0.00 0.70 0.00 0.00 55.95 57.31 1pez s SER 588 Cb -0.09 -2.31 -0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1pez s SER 588 CO 0.01 -0.29 -0.21 -0.69 1.20 0.00 0.00 173.24 173.26 1pez s VAL 589 N 2.19 1.74 -0.23 4.45 1.01 0.02 -2.91 120.40 126.66 1pez s VAL 589 Ca 0.25 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1pez s VAL 589 Cb -0.16 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1pez s VAL 589 CO 0.09 0.49 0.62 -0.60 0.00 0.00 0.00 175.10 175.70 1pez s ARG 590 N 0.13 4.15 -0.17 2.72 3.52 0.03 -0.34 118.95 128.99 1pez s ARG 590 Ca -0.09 0.56 -0.12 0.00 -0.13 0.00 0.00 55.73 55.95 1pez s ARG 590 Cb -0.14 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 1pez s ARG 590 CO 0.04 -0.34 0.21 -0.06 -0.81 0.00 0.00 175.30 174.35 1pez s PHE 591 N 2.25 3.45 -0.07 5.12 0.40 0.12 -1.11 117.98 128.14 1pez s PHE 591 Ca 0.27 0.48 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 1pez s PHE 591 Cb -0.16 -2.24 0.01 0.00 0.51 0.00 0.00 43.02 41.15 1pez s PHE 591 CO 0.09 0.29 -0.12 0.08 0.70 0.00 0.00 175.22 176.26 1pez s VAL 592 N 0.31 1.17 -0.10 -0.44 1.01 0.38 -1.55 120.40 121.18 1pez s VAL 592 Ca 0.13 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1pez s VAL 592 Cb -0.12 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1pez s VAL 592 CO 0.01 0.37 -0.16 0.54 0.00 0.00 0.00 175.10 175.86 1pez s VAL 593 N 0.76 1.52 0.09 2.92 0.11 -0.21 -0.90 120.40 124.68 1pez s VAL 593 Ca -0.13 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 1pez s VAL 593 Cb -0.16 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 1pez s VAL 593 CO 0.03 0.44 0.25 0.20 -3.33 0.00 0.00 175.10 172.69 1pez s ASN 594 N 0.82 6.38 -1.16 3.54 0.01 0.22 -0.86 114.94 123.90 1pez s ASN 594 Ca -0.10 0.32 -0.01 0.00 -0.71 0.00 0.00 52.86 52.36 1pez s ASN 594 Cb -0.16 -1.98 0.00 0.00 0.41 0.00 0.00 41.25 39.53 1pez s ASN 594 CO 0.01 0.13 0.97 0.59 -1.51 0.00 0.00 177.10 177.29 1pez n ASN 595 N 0.16 -2.44 -4.14 -1.22 3.02 -1.06 -1.31 115.26 108.27 1pez n ASN 595 Ca -0.05 -0.58 -0.38 0.00 -0.03 0.00 0.00 54.58 53.54 1pez n ASN 595 Cb 0.51 -4.89 -0.07 0.00 -0.61 0.00 0.00 39.78 34.72 1pez n ASN 595 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pez s ALA 596 N -3.34 3.99 0.35 5.41 0.00 1.00 -4.58 121.76 124.59 1pez s ALA 596 Ca 0.05 -3.56 -0.26 0.00 0.00 0.00 0.00 51.96 48.19 1pez s ALA 596 Cb -0.02 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 1pez s ALA 596 CO 0.69 -2.15 1.05 0.95 0.00 0.00 0.00 175.76 176.30 1pez s THR 597 N -0.68 3.72 0.17 0.00 -4.23 -1.26 -4.77 115.64 108.58 1pez s THR 597 Ca 0.22 1.44 -0.04 0.00 -1.18 0.00 0.00 61.69 62.14 1pez s THR 597 Cb -0.13 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 1pez s THR 597 CO -0.08 0.13 0.17 0.42 -0.54 0.00 0.00 174.62 174.72 1pez s THR 598 N -1.50 0.06 0.17 3.99 -4.23 -1.26 -5.09 115.64 107.78 1pez s THR 598 Ca 0.53 -1.75 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 1pez s THR 598 Cb -0.24 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1pez s THR 598 CO 0.31 -0.26 0.24 0.00 -0.54 0.00 0.00 174.62 174.38 1pez s ALA 599 N -4.05 3.82 0.13 3.99 0.00 -1.26 -5.00 121.76 119.38 1pez s ALA 599 Ca 0.26 -1.14 -0.35 0.00 0.00 0.00 0.00 51.96 50.73 1pez s ALA 599 Cb 0.05 -1.61 -0.15 0.00 0.00 0.00 0.00 23.12 21.41 1pez s ALA 599 CO 0.05 0.47 1.43 1.28 0.00 0.00 0.00 175.76 178.98 1pez n LEU 600 N -0.65 2.25 0.00 0.00 4.77 -1.26 -0.62 117.00 121.50 1pez n LEU 600 Ca -0.08 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1pez n LEU 600 Cb 0.55 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1pez n LEU 600 CO 0.46 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1pez n GLY 601 N 2.82 2.64 3.75 -0.72 0.00 -1.26 -5.03 105.19 107.39 1pez n GLY 601 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1pez n GLY 601 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pez s GLN 602 N -0.79 4.13 0.16 1.61 0.74 0.21 -4.70 119.66 121.02 1pez s GLN 602 Ca 0.00 0.03 0.05 0.00 0.05 0.00 0.00 55.36 55.50 1pez s GLN 602 Cb 0.00 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 1pez s GLN 602 CO 0.00 0.34 -0.12 -0.80 -0.55 0.00 0.00 175.29 174.16 1pez s ASN 603 N 0.17 2.02 -0.02 6.67 0.01 -0.61 -4.53 114.94 118.65 1pez s ASN 603 Ca 0.15 -0.99 -0.15 0.00 -0.71 0.00 0.00 52.86 51.16 1pez s ASN 603 Cb -0.13 -0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.43 1pez s ASN 603 CO 0.03 -0.27 0.41 -0.69 -1.51 0.00 0.00 177.10 175.07 1pez s VAL 604 N -3.12 5.06 0.32 1.60 1.01 -1.26 -0.22 120.40 123.80 1pez s VAL 604 Ca 0.17 0.84 0.04 0.00 0.00 0.00 0.00 61.98 63.03 1pez s VAL 604 Cb 0.01 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1pez s VAL 604 CO 0.02 0.54 0.03 -0.31 0.00 0.00 0.00 175.10 175.39 1pez s TYR 605 N -0.79 1.97 -0.05 5.22 1.51 0.13 -1.14 117.35 124.20 1pez s TYR 605 Ca 0.24 -0.90 0.06 0.00 -1.01 0.00 0.00 57.07 55.46 1pez s TYR 605 Cb -0.16 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 1pez s TYR 605 CO 0.12 0.07 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.23 1pez s LEU 606 N -3.48 2.14 0.03 -1.29 2.96 0.45 -0.82 118.68 118.67 1pez s LEU 606 Ca 0.35 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1pez s LEU 606 Cb 0.08 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 1pez s LEU 606 CO 0.15 0.27 -0.06 0.28 -1.32 0.00 0.00 176.35 175.67 1pez s THR 607 N -0.29 0.34 0.18 3.68 -1.32 -0.78 0.57 115.64 118.03 1pez s THR 607 Ca 0.00 -1.03 -0.08 0.00 -1.21 0.00 0.00 61.69 59.37 1pez s THR 607 Cb -0.13 -0.49 0.03 0.00 -1.51 0.00 0.00 72.50 70.41 1pez s THR 607 CO 0.02 -0.45 0.41 0.61 -2.21 0.00 0.00 174.62 173.00 1pez n GLY 608 N 1.47 1.41 0.28 6.08 0.00 -1.05 -1.47 105.19 111.91 1pez n GLY 608 Ca -0.23 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1pez n GLY 608 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pez n SER 609 N -1.22 0.56 -4.09 1.61 3.41 0.09 -0.81 113.62 113.18 1pez n SER 609 Ca -0.04 -2.00 -0.13 0.00 -0.26 0.00 0.00 58.87 56.44 1pez n SER 609 Cb 0.30 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 1pez n SER 609 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1pez s VAL 610 N -1.46 0.58 0.42 -3.33 -7.23 -1.26 -4.89 120.40 103.22 1pez s VAL 610 Ca 0.00 -1.26 0.17 0.00 -1.81 0.00 0.00 61.98 59.09 1pez s VAL 610 Cb 0.00 -0.83 0.37 0.00 0.56 0.00 0.00 36.38 36.48 1pez s VAL 610 CO 0.00 -0.48 1.87 0.77 -0.31 0.00 0.00 175.10 176.95 1pez h SER 611 N 4.18 0.41 0.13 4.85 4.64 -1.87 0.40 113.55 126.29 1pez h SER 611 Ca -0.36 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1pez h SER 611 Cb 1.19 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1pez h SER 611 CO 0.45 0.18 0.00 -0.62 -0.87 0.00 0.00 176.83 175.97 1pez n GLU 612 N -4.51 0.14 -0.10 4.77 4.71 -1.26 -0.26 120.64 124.14 1pez n GLU 612 Ca 0.18 0.59 0.03 0.00 -0.01 0.00 0.00 57.16 57.96 1pez n GLU 612 Cb 0.66 -1.93 0.08 0.00 -1.01 0.00 0.00 31.44 29.25 1pez n GLU 612 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1pez n LEU 613 N -2.22 2.48 0.00 -4.62 4.32 0.13 -4.90 117.00 112.18 1pez n LEU 613 Ca -0.01 -2.18 0.00 0.00 -0.02 0.00 0.00 56.01 53.81 1pez n LEU 613 Cb 0.07 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1pez n LEU 613 CO 0.11 0.61 0.00 0.61 -1.22 0.00 0.00 177.39 177.50 1pez n GLY 614 N -0.25 0.46 4.14 -0.72 0.00 0.64 -2.53 105.19 106.94 1pez n GLY 614 Ca 0.07 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1pez n GLY 614 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pez n ASN 615 N 1.13 -1.38 0.00 1.61 3.02 -0.76 -0.53 115.26 118.35 1pez n ASN 615 Ca 0.00 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1pez n ASN 615 Cb 0.00 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 1pez n ASN 615 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1pez n TRP 616 N -4.60 0.00 -2.96 3.10 7.02 0.01 -4.95 117.44 115.07 1pez n TRP 616 Ca -0.21 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.84 1pez n TRP 616 Cb 0.59 -1.10 -0.05 0.00 -2.42 0.00 0.00 31.31 28.33 1pez n TRP 616 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1pez s ASP 617 N -2.20 6.45 0.32 -0.99 -1.08 0.31 -4.94 116.67 114.55 1pez s ASP 617 Ca 0.00 0.03 0.10 0.00 -0.52 0.00 0.00 52.55 52.16 1pez s ASP 617 Cb 0.00 -2.39 0.91 0.00 -1.46 0.00 0.00 42.92 39.98 1pez s ASP 617 CO 0.00 -0.87 1.70 -0.65 0.52 0.00 0.00 175.17 175.87 1pez h PRO 618 N 8.84 0.46 0.00 4.34 0.11 -1.93 0.48 132.00 144.30 1pez h PRO 618 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1pez h PRO 618 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1pez h PRO 618 CO 0.95 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 179.04 1pez n ALA 619 N -2.35 1.50 -0.13 -0.75 0.00 -1.26 -1.98 120.51 115.54 1pez n ALA 619 Ca 0.27 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.80 1pez n ALA 619 Cb 0.80 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 19.03 1pez n ALA 619 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pez n LYS 620 N -1.97 2.90 -1.65 0.00 5.02 0.16 -5.05 118.16 117.58 1pez n LYS 620 Ca 0.02 -1.82 -0.36 0.00 -2.02 0.00 0.00 58.31 54.13 1pez n LYS 620 Cb 0.16 -1.16 0.07 0.00 -0.02 0.00 0.00 35.03 34.09 1pez n LYS 620 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pez s ALA 621 N -1.08 2.29 -0.02 7.82 0.00 -0.84 -4.10 121.76 125.82 1pez s ALA 621 Ca 0.13 1.05 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 1pez s ALA 621 Cb 0.07 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1pez s ALA 621 CO 0.08 -1.66 0.84 0.42 0.00 0.00 0.00 175.76 175.44 1pez s ILE 622 N -1.67 4.92 -5.00 0.00 -1.09 0.19 -4.82 121.20 113.74 1pez s ILE 622 Ca 0.78 1.75 0.00 0.00 -2.23 0.00 0.00 60.65 60.96 1pez s ILE 622 Cb -0.33 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.37 1pez s ILE 622 CO 0.41 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 1pez n GLY 623 N 2.92 0.73 3.75 6.18 0.00 -1.26 -0.41 105.19 117.10 1pez n GLY 623 Ca 0.02 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 1pez n GLY 623 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pez s PRO 624 N -2.00 3.20 0.88 1.61 0.04 -1.26 -5.08 135.00 132.39 1pez s PRO 624 Ca 0.00 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 1pez s PRO 624 Cb 0.00 -2.29 0.12 0.00 0.04 0.00 0.00 34.50 32.37 1pez s PRO 624 CO 0.00 -1.15 1.15 -1.64 0.04 0.00 0.00 177.00 175.41 1pez s MET 625 N -2.86 1.38 0.22 4.56 -1.94 -0.29 -5.03 119.30 115.33 1pez s MET 625 Ca 0.70 0.22 0.04 0.00 -1.71 0.00 0.00 55.69 54.94 1pez s MET 625 Cb -0.40 -1.87 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 1pez s MET 625 CO 0.48 -2.02 0.35 0.71 -0.01 0.00 0.00 175.02 174.53 1pez s TYR 626 N -3.38 3.46 -0.12 -0.03 2.02 0.87 -4.83 117.35 115.34 1pez s TYR 626 Ca 0.63 0.05 0.08 0.00 -0.37 0.00 0.00 57.07 57.47 1pez s TYR 626 Cb -0.13 -1.62 0.21 0.00 -0.40 0.00 0.00 41.96 40.01 1pez s TYR 626 CO 0.52 0.45 1.19 0.27 -1.57 0.00 0.00 175.55 176.41 1pez n ASN 627 N -1.13 -0.76 0.02 2.29 0.23 -1.26 0.07 115.26 114.72 1pez n ASN 627 Ca -0.08 -2.07 -0.00 0.00 -0.53 0.00 0.00 54.58 51.90 1pez n ASN 627 Cb 0.56 0.30 -0.00 0.00 -2.08 0.00 0.00 39.78 38.56 1pez n ASN 627 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pez n GLN 628 N -0.46 0.03 0.00 -3.83 6.02 -0.72 -1.77 117.38 116.64 1pez n GLN 628 Ca -0.19 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1pez n GLN 628 Cb 0.81 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 31.68 1pez n GLN 628 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1pez n VAL 629 N -3.20 0.00 0.11 5.09 0.31 -1.26 -4.44 118.33 114.94 1pez n VAL 629 Ca -0.01 0.20 0.02 0.00 -0.01 0.00 0.00 64.34 64.54 1pez n VAL 629 Cb 0.03 -0.51 0.37 0.00 -0.91 0.00 0.00 33.84 32.82 1pez n VAL 629 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1pez h VAL 630 N 0.00 1.19 -3.99 2.52 2.07 -1.96 -3.43 116.25 112.66 1pez h VAL 630 Ca 0.00 -0.85 -0.14 0.00 0.82 0.00 0.00 66.70 66.53 1pez h VAL 630 Cb 0.00 1.24 -0.18 0.00 -1.52 0.00 0.00 31.29 30.82 1pez h VAL 630 CO 0.00 0.26 -0.64 -0.31 0.02 0.00 0.00 177.57 176.90 1pez s TYR 631 N -4.69 0.31 0.06 1.57 1.51 -1.26 -5.14 117.35 109.72 1pez s TYR 631 Ca -0.05 -0.66 0.07 0.00 -1.01 0.00 0.00 57.07 55.42 1pez s TYR 631 Cb 0.15 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.74 1pez s TYR 631 CO 0.74 -0.29 -0.14 -0.65 -1.11 0.00 0.00 175.55 174.09 1pez s GLN 632 N -2.45 2.12 0.49 -0.62 1.11 -1.26 -1.75 119.66 117.29 1pez s GLN 632 Ca -0.07 -0.98 -0.22 0.00 0.01 0.00 0.00 55.36 54.11 1pez s GLN 632 Cb -0.03 -2.26 -0.09 0.00 -1.01 0.00 0.00 33.01 29.62 1pez s GLN 632 CO -0.04 0.53 0.85 0.98 0.01 0.00 0.00 175.29 177.62 1pez n TYR 633 N 1.19 0.53 0.93 0.91 4.19 -0.73 -0.57 117.16 123.61 1pez n TYR 633 Ca -0.15 0.52 0.00 0.00 3.31 0.00 0.00 57.90 61.58 1pez n TYR 633 Cb 0.52 -2.13 0.00 0.00 0.49 0.00 0.00 39.34 38.23 1pez n TYR 633 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1pez n PRO 634 N -0.08 0.89 -3.63 2.98 -0.04 -1.26 -5.07 135.00 128.79 1pez n PRO 634 Ca 0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 1pez n PRO 634 Cb 0.42 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 1pez n PRO 634 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1pez s ASN 635 N -0.17 6.58 0.13 3.54 0.01 0.27 -0.00 114.94 125.29 1pez s ASN 635 Ca 0.00 0.68 0.09 0.00 -0.71 0.00 0.00 52.86 52.92 1pez s ASN 635 Cb 0.00 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 1pez s ASN 635 CO 0.00 0.29 -0.21 0.26 -1.51 0.00 0.00 177.10 175.93 1pez s TRP 636 N -0.65 1.88 0.07 2.20 0.52 -0.04 -4.17 118.94 118.75 1pez s TRP 636 Ca 0.19 -0.43 -0.08 0.00 0.02 0.00 0.00 56.10 55.80 1pez s TRP 636 Cb -0.14 -0.99 -0.00 0.00 -1.15 0.00 0.00 33.47 31.18 1pez s TRP 636 CO 0.08 0.27 0.17 1.52 0.02 0.00 0.00 176.95 179.01 1pez s TYR 637 N -1.44 0.16 -0.28 -1.98 1.13 0.11 -1.05 117.35 114.00 1pez s TYR 637 Ca 0.11 -0.55 -0.23 0.00 -1.41 0.00 0.00 57.07 54.98 1pez s TYR 637 Cb -0.09 -0.09 0.12 0.00 -1.10 0.00 0.00 41.96 40.81 1pez s TYR 637 CO 0.05 -0.49 0.98 -0.47 -2.51 0.00 0.00 175.55 173.11 1pez s TYR 638 N -3.50 -0.54 -0.18 -3.49 5.04 -0.59 -0.09 117.35 113.98 1pez s TYR 638 Ca 0.02 1.27 -0.16 0.00 -2.44 0.00 0.00 57.07 55.76 1pez s TYR 638 Cb 0.03 0.36 -0.04 0.00 0.35 0.00 0.00 41.96 42.67 1pez s TYR 638 CO -0.09 -0.26 0.42 -0.51 -1.34 0.00 0.00 175.55 173.76 1pez s ASP 639 N 0.48 6.49 0.00 4.32 1.01 -1.26 -0.71 116.67 127.00 1pez s ASP 639 Ca 0.00 0.58 0.05 0.00 0.71 0.00 0.00 52.55 53.90 1pez s ASP 639 Cb -0.05 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 1pez s ASP 639 CO -0.08 -0.06 -0.15 -0.69 0.21 0.00 0.00 175.17 174.40 1pez s VAL 640 N 1.18 1.22 -0.24 -1.27 1.01 0.54 -3.36 120.40 119.47 1pez s VAL 640 Ca 0.21 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1pez s VAL 640 Cb -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1pez s VAL 640 CO 0.08 0.27 0.93 -0.55 0.00 0.00 0.00 175.10 175.84 1pez s SER 641 N -0.55 6.95 0.09 3.32 0.15 -1.24 -0.80 113.70 121.64 1pez s SER 641 Ca 0.05 1.18 0.04 0.00 0.70 0.00 0.00 55.95 57.92 1pez s SER 641 Cb -0.06 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1pez s SER 641 CO -0.00 -0.60 -0.10 0.68 1.20 0.00 0.00 173.24 174.41 1pez s VAL 642 N 3.04 0.94 0.06 4.45 -7.23 -0.48 -4.85 120.40 116.32 1pez s VAL 642 Ca 0.39 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1pez s VAL 642 Cb -0.15 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 1pez s VAL 642 CO 0.07 -0.52 1.82 -2.16 -0.31 0.00 0.00 175.10 174.00 1pez s PRO 643 N -2.65 4.16 0.25 4.82 0.04 -1.26 -1.08 135.00 139.27 1pez s PRO 643 Ca 0.04 2.50 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 1pez s PRO 643 Cb -0.04 -3.84 -0.13 0.00 0.04 0.00 0.00 34.50 30.53 1pez s PRO 643 CO 0.00 -0.86 1.50 0.00 0.04 0.00 0.00 177.00 177.68 1pez n ALA 644 N 6.49 1.73 -1.01 8.56 0.00 0.31 -2.70 120.51 133.89 1pez n ALA 644 Ca 0.18 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 54.01 1pez n ALA 644 Cb 0.40 -2.36 -0.00 0.00 0.00 0.00 0.00 19.45 17.49 1pez n ALA 644 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pez n GLY 645 N 2.29 0.23 3.85 0.00 0.00 -0.65 -4.88 105.19 106.04 1pez n GLY 645 Ca 0.11 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1pez n GLY 645 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pez s LYS 646 N -1.31 3.83 -0.16 1.61 -0.14 -1.10 -4.69 119.74 117.79 1pez s LYS 646 Ca 0.00 0.29 -0.27 0.00 -1.36 0.00 0.00 55.97 54.63 1pez s LYS 646 Cb 0.00 -3.11 -0.01 0.00 -1.68 0.00 0.00 37.83 33.04 1pez s LYS 646 CO 0.00 0.63 0.93 0.99 -0.76 0.00 0.00 175.35 177.13 1pez s THR 647 N -1.24 4.81 -0.06 2.17 2.01 -1.26 -1.03 115.64 121.04 1pez s THR 647 Ca 0.28 1.84 0.04 0.00 0.31 0.00 0.00 61.69 64.16 1pez s THR 647 Cb -0.15 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1pez s THR 647 CO 0.15 -0.02 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.26 1pez s ILE 648 N 2.34 1.47 -0.12 1.82 1.01 0.13 -4.98 121.20 122.86 1pez s ILE 648 Ca 0.42 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 1pez s ILE 648 Cb -0.17 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1pez s ILE 648 CO 0.13 0.43 0.13 -1.61 0.00 0.00 0.00 174.94 174.01 1pez s GLU 649 N 0.24 3.47 0.24 2.79 2.02 -1.26 -2.11 118.70 124.09 1pez s GLU 649 Ca -0.09 -0.15 -0.09 0.00 0.02 0.00 0.00 54.97 54.66 1pez s GLU 649 Cb -0.14 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 1pez s GLU 649 CO 0.04 0.74 0.39 -0.59 0.02 0.00 0.00 175.26 175.85 1pez s PHE 650 N -0.92 0.61 0.21 1.61 -0.71 0.06 -0.73 117.98 118.11 1pez s PHE 650 Ca 0.14 -0.93 -0.14 0.00 -1.04 0.00 0.00 56.93 54.97 1pez s PHE 650 Cb -0.12 -0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.68 1pez s PHE 650 CO 0.03 -0.91 0.45 0.15 -1.34 0.00 0.00 175.22 173.61 1pez s LYS 651 N -4.00 1.40 0.14 1.99 1.02 -0.54 -0.18 119.74 119.56 1pez s LYS 651 Ca 0.27 -1.08 0.08 0.00 0.02 0.00 0.00 55.97 55.25 1pez s LYS 651 Cb 0.01 0.47 -0.04 0.00 -0.52 0.00 0.00 37.83 37.75 1pez s LYS 651 CO 0.10 -0.57 -0.08 -0.06 -0.92 0.00 0.00 175.35 173.82 1pez s PHE 652 N -3.95 2.73 0.11 3.18 0.08 -1.26 -1.86 117.98 117.00 1pez s PHE 652 Ca 0.16 -0.17 0.07 0.00 0.12 0.00 0.00 56.93 57.11 1pez s PHE 652 Cb 0.00 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1pez s PHE 652 CO 0.02 0.47 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.92 1pez s LEU 653 N -2.50 2.33 -0.29 -0.37 1.43 -0.00 -2.58 118.68 116.70 1pez s LEU 653 Ca 0.23 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1pez s LEU 653 Cb -0.10 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.40 1pez s LEU 653 CO 0.15 -0.01 0.02 -0.54 0.23 0.00 0.00 176.35 176.20 1pez s LYS 654 N -2.10 2.76 0.04 1.70 1.02 -0.50 0.22 119.74 122.87 1pez s LYS 654 Ca 0.06 -1.06 0.08 0.00 0.02 0.00 0.00 55.97 55.07 1pez s LYS 654 Cb -0.09 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1pez s LYS 654 CO 0.04 -0.52 -0.22 0.15 -0.92 0.00 0.00 175.35 173.88 1pez s LYS 655 N 1.37 1.97 -0.17 1.68 1.02 0.70 -0.97 119.74 125.34 1pez s LYS 655 Ca -0.01 -1.02 -0.03 0.00 0.02 0.00 0.00 55.97 54.92 1pez s LYS 655 Cb -0.18 -2.10 0.06 0.00 -0.52 0.00 0.00 37.83 35.09 1pez s LYS 655 CO -0.00 0.53 0.05 -1.14 -0.92 0.00 0.00 175.35 173.87 1pez s GLN 656 N -1.28 0.45 5.90 1.68 0.74 -0.56 -1.57 119.66 125.03 1pez s GLN 656 Ca 0.13 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.29 1pez s GLN 656 Cb -0.10 -1.87 0.00 0.00 1.10 0.00 0.00 33.01 32.14 1pez s GLN 656 CO 0.03 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 174.58 1pez n GLY 657 N 5.13 2.29 0.71 2.59 0.00 -1.26 -1.67 105.19 112.98 1pez n GLY 657 Ca -0.08 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1pez n GLY 657 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pez n SER 658 N 2.90 2.17 -4.70 1.61 3.41 -1.26 -4.88 113.62 112.87 1pez n SER 658 Ca 0.00 -1.74 -0.42 0.00 -0.26 0.00 0.00 58.87 56.45 1pez n SER 658 Cb 0.00 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1pez n SER 658 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pez s THR 659 N -1.87 4.58 -0.02 6.66 2.01 -0.67 -4.97 115.64 121.35 1pez s THR 659 Ca 0.34 1.86 0.05 0.00 0.31 0.00 0.00 61.69 64.25 1pez s THR 659 Cb 0.20 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 1pez s THR 659 CO 0.31 0.08 -0.17 0.00 -0.69 0.00 0.00 174.62 174.15 1pez s ALA 660 N 1.50 1.45 -0.19 7.40 0.00 -1.26 -1.50 121.76 129.16 1pez s ALA 660 Ca 0.53 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1pez s ALA 660 Cb -0.23 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 1pez s ALA 660 CO 0.24 0.32 -0.11 0.99 0.00 0.00 0.00 175.76 177.20 1pez s THR 661 N -0.23 2.89 0.30 0.00 2.01 -0.14 -4.96 115.64 115.51 1pez s THR 661 Ca 0.03 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1pez s THR 661 Cb -0.08 -2.27 -0.08 0.00 0.01 0.00 0.00 72.50 70.08 1pez s THR 661 CO 0.00 0.48 0.67 0.26 -0.69 0.00 0.00 174.62 175.34 1pez s TRP 662 N 1.24 3.41 0.57 4.92 0.52 -1.26 -1.41 118.94 126.92 1pez s TRP 662 Ca 0.03 1.03 -0.20 0.00 0.02 0.00 0.00 56.10 56.98 1pez s TRP 662 Cb -0.14 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1pez s TRP 662 CO -0.05 0.12 1.24 -1.21 0.02 0.00 0.00 176.95 177.08 1pez s GLU 663 N -3.11 3.11 0.27 4.98 2.02 -1.06 -4.99 118.70 119.91 1pez s GLU 663 Ca 0.51 1.92 -0.02 0.00 0.02 0.00 0.00 54.97 57.40 1pez s GLU 663 Cb -0.11 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.11 1pez s GLU 663 CO 0.22 -1.12 0.36 0.41 0.02 0.00 0.00 175.26 175.15 1pez n GLY 664 N 0.57 0.18 7.00 -1.39 0.00 0.35 -4.98 105.19 106.93 1pez n GLY 664 Ca 0.12 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1pez n GLY 664 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pez n GLY 665 N 2.36 -0.27 3.91 -0.02 0.00 -1.26 -4.71 105.19 105.20 1pez n GLY 665 Ca 0.06 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1pez n GLY 665 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pez s SER 666 N -4.00 6.33 0.58 1.61 0.01 -1.26 -5.05 113.70 111.92 1pez s SER 666 Ca 0.00 0.83 -0.20 0.00 1.31 0.00 0.00 55.95 57.89 1pez s SER 666 Cb 0.00 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1pez s SER 666 CO 0.00 -0.45 1.25 0.59 0.41 0.00 0.00 173.24 175.04 1pez n ASN 667 N -1.88 2.06 -4.86 2.44 5.03 -1.26 -4.99 115.26 111.80 1pez n ASN 667 Ca -0.01 0.90 -0.31 0.00 0.87 0.00 0.00 54.58 56.04 1pez n ASN 667 Cb 0.55 -1.52 -0.02 0.00 -1.02 0.00 0.00 39.78 37.77 1pez n ASN 667 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1pez s HIS 668 N -1.36 3.53 0.02 3.10 3.76 0.74 -4.84 115.29 120.24 1pez s HIS 668 Ca 0.75 1.27 -0.03 0.00 -0.15 0.00 0.00 55.06 56.91 1pez s HIS 668 Cb -0.41 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.60 1pez s HIS 668 CO 0.46 -0.43 0.03 0.99 -0.85 0.00 0.00 174.74 174.95 1pez s THR 669 N -2.79 0.12 0.06 1.30 2.01 -1.26 -0.76 115.64 114.32 1pez s THR 669 Ca 0.55 -0.98 -0.28 0.00 0.31 0.00 0.00 61.69 61.30 1pez s THR 669 Cb -0.10 -0.53 0.09 0.00 0.01 0.00 0.00 72.50 71.97 1pez s THR 669 CO 0.40 -0.54 1.11 0.72 -0.69 0.00 0.00 174.62 175.63 1pez s PHE 670 N -1.88 -0.10 -0.14 4.92 -0.71 -0.90 -5.01 117.98 114.17 1pez s PHE 670 Ca -0.12 -0.09 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 1pez s PHE 670 Cb -0.06 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.35 1pez s PHE 670 CO -0.02 -0.54 -0.21 0.99 -1.34 0.00 0.00 175.22 174.10 1pez s THR 671 N -2.86 1.99 0.51 -4.49 2.01 -1.26 0.19 115.64 111.73 1pez s THR 671 Ca 0.13 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 60.97 1pez s THR 671 Cb 0.01 -1.77 -0.06 0.00 0.01 0.00 0.00 72.50 70.70 1pez s THR 671 CO -0.01 0.54 1.26 0.00 -0.69 0.00 0.00 174.62 175.72 1pez s ALA 672 N 0.88 2.86 0.61 7.40 0.00 -0.20 -4.90 121.76 128.42 1pez s ALA 672 Ca -0.06 1.14 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 1pez s ALA 672 Cb -0.15 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1pez s ALA 672 CO -0.03 -1.06 1.21 -1.25 0.00 0.00 0.00 175.76 174.64 1pez s PRO 673 N -2.85 2.84 0.49 0.00 0.04 -1.26 -1.64 135.00 132.62 1pez s PRO 673 Ca 0.69 1.83 0.27 0.00 0.04 0.00 0.00 61.00 63.83 1pez s PRO 673 Cb -0.35 -1.91 1.19 0.00 0.04 0.00 0.00 34.50 33.47 1pez s PRO 673 CO 0.41 -1.31 1.94 0.66 0.04 0.00 0.00 177.00 178.74 1pez h SER 674 N 0.71 0.00 -5.03 6.66 4.64 -1.93 -2.41 113.55 116.20 1pez h SER 674 Ca -0.50 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 60.96 1pez h SER 674 Cb 1.30 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.28 1pez h SER 674 CO 0.54 0.15 0.47 -0.94 -0.87 0.00 0.00 176.83 176.19 1pez s SER 675 N -6.05 -0.27 0.17 4.97 1.04 -1.26 -4.70 113.70 107.60 1pez s SER 675 Ca -0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1pez s SER 675 Cb 0.11 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1pez s SER 675 CO 0.60 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1pez n GLY 676 N -0.38 -1.55 3.97 7.32 0.00 -1.26 -4.95 105.19 108.34 1pez n GLY 676 Ca -0.08 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 1pez n GLY 676 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pez s THR 677 N 0.00 2.04 0.20 2.61 -4.23 -1.26 -4.28 115.64 110.72 1pez s THR 677 Ca 0.00 -1.22 -0.22 0.00 -1.18 0.00 0.00 61.69 59.07 1pez s THR 677 Cb 0.00 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.63 1pez s THR 677 CO 0.00 0.00 0.64 -0.83 -0.54 0.00 0.00 174.62 173.89 1pez s GLY 678 N -4.46 -0.44 -0.04 3.99 0.00 -1.15 -4.86 107.32 100.36 1pez s GLY 678 Ca 0.50 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 1pez s GLY 678 CO 0.31 0.07 0.07 -1.59 0.00 0.00 0.00 173.10 171.97 1pez s THR 679 N -3.81 -0.07 -0.16 0.90 2.01 -1.26 -0.79 115.64 112.47 1pez s THR 679 Ca 0.04 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.28 1pez s THR 679 Cb -0.03 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.35 1pez s THR 679 CO -0.07 0.09 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.14 1pez s ILE 680 N 1.23 2.31 -0.20 1.82 1.01 -0.26 -4.96 121.20 122.14 1pez s ILE 680 Ca -0.08 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1pez s ILE 680 Cb -0.12 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.41 1pez s ILE 680 CO -0.04 0.53 -0.16 0.21 0.00 0.00 0.00 174.94 175.47 1pez s ASN 681 N 1.00 3.52 0.23 3.58 3.84 -1.26 -0.47 114.94 125.38 1pez s ASN 681 Ca -0.02 -0.77 0.01 0.00 0.21 0.00 0.00 52.86 52.29 1pez s ASN 681 Cb -0.15 -1.52 -0.05 0.00 -0.55 0.00 0.00 41.25 38.98 1pez s ASN 681 CO -0.05 -0.04 0.08 0.68 -2.79 0.00 0.00 177.10 174.98 1pez s VAL 682 N 1.27 0.54 -0.02 -5.21 -7.23 -0.08 -5.00 120.40 104.67 1pez s VAL 682 Ca 0.02 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1pez s VAL 682 Cb -0.15 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1pez s VAL 682 CO -0.10 -0.12 0.19 0.20 -0.31 0.00 0.00 175.10 174.95 1pez s ASN 683 N -3.26 6.39 0.10 4.85 0.01 -1.26 -0.61 114.94 121.15 1pez s ASN 683 Ca 0.34 0.39 -0.31 0.00 -0.71 0.00 0.00 52.86 52.58 1pez s ASN 683 Cb 0.07 -2.02 -0.08 0.00 0.41 0.00 0.00 41.25 39.63 1pez s ASN 683 CO 0.11 0.28 1.47 0.86 -1.51 0.00 0.00 177.10 178.31 1pez s TRP 684 N -1.28 3.02 -0.38 2.20 -0.11 -0.43 -4.83 118.94 117.13 1pez s TRP 684 Ca 0.25 0.77 -0.17 0.00 1.22 0.00 0.00 56.10 58.18 1pez s TRP 684 Cb -0.13 -3.77 0.01 0.00 -1.50 0.00 0.00 33.47 28.08 1pez s TRP 684 CO 0.16 -2.82 0.44 -0.65 -4.62 0.00 0.00 176.95 169.46 1pez s GLN 685 N 1.56 3.36 0.00 5.86 -0.21 -1.26 -5.00 119.66 123.97 1pez s GLN 685 Ca 0.67 -0.51 0.07 0.00 0.02 0.00 0.00 55.36 55.61 1pez s GLN 685 Cb -0.38 -3.88 0.44 0.00 1.00 0.00 0.00 33.01 30.19 1pez s GLN 685 CO 0.30 -0.71 0.90 -0.35 -2.12 0.00 0.00 175.29 173.31