#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyz s ALA 2 N 0.00 -0.39 -0.32 0.00 0.00 -1.26 -1.36 121.76 118.43 2pyz s ALA 2 Ca 0.00 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 2pyz s ALA 2 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2pyz s ALA 2 CO 0.00 -0.14 0.15 -1.14 0.00 0.00 0.00 175.76 174.62 2pyz s GLN 3 N 0.86 3.13 0.53 0.00 0.74 0.49 -4.96 119.66 120.45 2pyz s GLN 3 Ca -0.06 -0.86 -0.15 0.00 0.05 0.00 0.00 55.36 54.34 2pyz s GLN 3 Cb -0.08 -3.55 -0.07 0.00 1.10 0.00 0.00 33.01 30.41 2pyz s GLN 3 CO -0.05 -0.50 0.97 0.95 -0.55 0.00 0.00 175.29 176.11 2pyz s THR 4 N 1.56 4.60 -1.51 -0.34 -4.23 -1.26 -1.20 115.64 113.26 2pyz s THR 4 Ca 0.03 1.07 -0.04 0.00 -1.18 0.00 0.00 61.69 61.57 2pyz s THR 4 Cb -0.18 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 69.94 2pyz s THR 4 CO 0.05 -0.78 0.35 0.59 -0.54 0.00 0.00 174.62 174.30 2pyz n ASN 5 N -1.83 -0.41 -4.80 3.99 3.02 -1.02 -4.94 115.26 109.26 2pyz n ASN 5 Ca 0.06 -1.10 -0.32 0.00 -0.03 0.00 0.00 54.58 53.19 2pyz n ASN 5 Cb 0.54 -2.52 0.03 0.00 -0.61 0.00 0.00 39.78 37.21 2pyz n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pyz s ALA 6 N -3.96 2.68 0.44 5.41 0.00 -0.07 -5.00 121.76 121.26 2pyz s ALA 6 Ca 0.14 0.34 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 2pyz s ALA 6 Cb -0.08 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 2pyz s ALA 6 CO 0.93 -0.98 0.96 -2.30 0.00 0.00 0.00 175.76 174.37 2pyz n PRO 7 N -2.35 1.23 -0.21 0.00 -0.02 -1.26 -4.77 135.00 127.62 2pyz n PRO 7 Ca 0.09 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 2pyz n PRO 7 Cb 0.53 -2.01 0.43 0.00 -0.02 0.00 0.00 33.50 32.43 2pyz n PRO 7 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2pyz h TRP 8 N 1.34 0.66 -0.57 6.00 5.08 -1.91 -2.06 115.95 124.49 2pyz h TRP 8 Ca -0.45 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.54 2pyz h TRP 8 Cb 1.35 -0.21 -0.03 0.00 -3.00 0.00 0.00 29.16 27.27 2pyz h TRP 8 CO 0.42 0.26 0.35 0.78 -1.28 0.00 0.00 178.44 178.97 2pyz h GLY 9 N 0.57 0.81 0.87 11.11 0.00 -1.92 0.46 103.07 114.98 2pyz h GLY 9 Ca 0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2pyz h GLY 9 CO -0.15 0.32 0.06 1.41 0.00 0.00 0.00 176.54 178.18 2pyz h LEU 10 N 0.76 0.27 -0.86 3.11 3.38 -1.73 -2.15 115.31 118.09 2pyz h LEU 10 Ca 0.20 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2pyz h LEU 10 Cb -0.04 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 2pyz h LEU 10 CO -0.04 0.39 0.49 0.00 0.09 0.00 0.00 178.44 179.37 2pyz h ALA 11 N 0.89 1.26 -0.54 1.53 0.00 -1.24 -2.91 119.26 118.25 2pyz h ALA 11 Ca 0.06 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2pyz h ALA 11 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2pyz h ALA 11 CO -0.00 0.07 -0.09 -0.09 0.00 0.00 0.00 179.25 179.14 2pyz h ARG 12 N 0.78 0.99 0.00 0.00 9.65 -0.46 -2.36 114.38 122.99 2pyz h ARG 12 Ca 0.43 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2pyz h ARG 12 Cb 0.46 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2pyz h ARG 12 CO -0.28 1.03 0.00 0.44 2.80 0.00 0.00 179.97 183.96 2pyz n ILE 13 N -4.15 0.79 -1.04 1.20 -5.35 -0.85 -2.38 119.36 107.58 2pyz n ILE 13 Ca 0.02 0.18 0.08 0.00 -0.27 0.00 0.00 62.75 62.76 2pyz n ILE 13 Cb 0.39 -0.94 0.23 0.00 -1.74 0.00 0.00 39.64 37.58 2pyz n ILE 13 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2pyz n SER 14 N -1.73 3.48 -4.09 7.28 3.41 -0.91 -0.06 113.62 121.01 2pyz n SER 14 Ca 0.04 -3.08 -0.13 0.00 -0.26 0.00 0.00 58.87 55.44 2pyz n SER 14 Cb 0.23 -0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 63.54 2pyz n SER 14 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2pyz s SER 15 N -2.17 0.97 0.00 4.04 0.15 -1.00 -4.72 113.70 110.96 2pyz s SER 15 Ca 0.40 -0.63 0.27 0.00 0.70 0.00 0.00 55.95 56.69 2pyz s SER 15 Cb 0.33 0.04 0.89 0.00 -1.71 0.00 0.00 66.02 65.57 2pyz s SER 15 CO 0.07 -0.24 1.68 0.35 1.20 0.00 0.00 173.24 176.30 2pyz n THR 16 N 1.20 0.00 -4.13 6.45 -2.24 -1.26 -4.90 114.28 109.40 2pyz n THR 16 Ca -0.21 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 2pyz n THR 16 Cb 0.56 -0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 2pyz n THR 16 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pyz s SER 17 N -2.93 1.19 0.87 3.42 0.01 -1.26 -5.08 113.70 109.91 2pyz s SER 17 Ca 0.14 -0.54 -0.12 0.00 1.31 0.00 0.00 55.95 56.74 2pyz s SER 17 Cb 0.18 -0.01 0.11 0.00 0.21 0.00 0.00 66.02 66.52 2pyz s SER 17 CO 0.60 -0.13 1.10 -2.16 0.41 0.00 0.00 173.24 173.06 2pyz s PRO 18 N -1.53 1.50 0.00 12.44 0.04 -1.26 -4.40 135.00 141.78 2pyz s PRO 18 Ca -0.06 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2pyz s PRO 18 Cb -0.09 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2pyz s PRO 18 CO 0.01 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.42 2pyz n GLY 19 N -1.56 0.61 3.92 0.56 0.00 -1.26 -5.07 105.19 102.39 2pyz n GLY 19 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2pyz n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pyz s THR 20 N -2.36 4.26 0.00 2.61 -4.23 -1.26 -5.03 115.64 109.63 2pyz s THR 20 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2pyz s THR 20 Cb 0.00 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2pyz s THR 20 CO 0.00 -0.60 0.54 -1.54 -0.54 0.00 0.00 174.62 172.48 2pyz n SER 21 N -2.34 0.91 -4.49 3.99 3.41 -1.26 -4.77 113.62 109.07 2pyz n SER 21 Ca 0.02 -1.28 -0.33 0.00 -0.26 0.00 0.00 58.87 57.01 2pyz n SER 21 Cb 0.57 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 2pyz n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2pyz s THR 22 N -0.28 3.63 -0.38 6.66 2.01 -1.26 -0.89 115.64 125.12 2pyz s THR 22 Ca 0.00 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 2pyz s THR 22 Cb 0.00 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.97 2pyz s THR 22 CO 0.00 0.53 0.39 -0.47 -0.69 0.00 0.00 174.62 174.38 2pyz s TYR 23 N 0.05 3.19 -0.19 4.92 5.04 -0.34 -4.44 117.35 125.59 2pyz s TYR 23 Ca -0.02 -0.24 -0.11 0.00 -2.44 0.00 0.00 57.07 54.26 2pyz s TYR 23 Cb -0.14 -2.76 -0.05 0.00 0.35 0.00 0.00 41.96 39.36 2pyz s TYR 23 CO 0.03 -0.57 0.18 0.71 -1.34 0.00 0.00 175.55 174.57 2pyz s TYR 24 N 2.04 3.42 0.01 4.97 2.02 -1.26 -0.38 117.35 128.18 2pyz s TYR 24 Ca 0.11 0.41 -0.20 0.00 -0.37 0.00 0.00 57.07 57.02 2pyz s TYR 24 Cb -0.17 -2.22 0.04 0.00 -0.40 0.00 0.00 41.96 39.21 2pyz s TYR 24 CO 0.12 0.27 0.46 1.52 -1.57 0.00 0.00 175.55 176.35 2pyz s TYR 25 N 0.41 -0.35 0.24 2.71 1.13 -0.47 -4.77 117.35 116.25 2pyz s TYR 25 Ca 0.11 0.45 -0.30 0.00 -1.41 0.00 0.00 57.07 55.92 2pyz s TYR 25 Cb -0.12 0.25 -0.09 0.00 -1.10 0.00 0.00 41.96 40.89 2pyz s TYR 25 CO -0.00 -0.55 1.35 0.34 -2.51 0.00 0.00 175.55 174.18 2pyz s ASP 26 N -1.67 6.80 0.56 -0.18 -1.08 -1.26 -0.40 116.67 119.44 2pyz s ASP 26 Ca -0.08 2.53 0.29 0.00 -0.52 0.00 0.00 52.55 54.77 2pyz s ASP 26 Cb -0.02 -2.62 1.47 0.00 -1.46 0.00 0.00 42.92 40.29 2pyz s ASP 26 CO 0.02 -0.58 1.92 -0.33 0.52 0.00 0.00 175.17 176.72 2pyz h GLU 27 N 4.92 0.00 -0.95 4.34 3.07 -2.01 -1.83 114.58 122.12 2pyz h GLU 27 Ca -0.46 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 58.56 2pyz h GLU 27 Cb 1.22 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.04 2pyz h GLU 27 CO 0.75 0.00 0.60 0.66 -1.40 0.00 0.00 179.01 179.63 2pyz h SER 28 N 0.00 0.71 -5.62 1.42 4.64 -2.00 -3.46 113.55 109.25 2pyz h SER 28 Ca 0.28 0.06 -0.42 0.00 -0.47 0.00 0.00 61.79 61.23 2pyz h SER 28 Cb 1.26 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 2pyz h SER 28 CO -0.00 0.33 -0.63 0.00 -0.87 0.00 0.00 176.83 175.65 2pyz n ALA 29 N -2.40 -1.12 -1.00 5.18 0.00 -0.69 -1.06 120.51 119.42 2pyz n ALA 29 Ca 0.20 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2pyz n ALA 29 Cb 0.51 -3.44 0.00 0.00 0.00 0.00 0.00 19.45 16.51 2pyz n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pyz n GLY 30 N -1.37 0.45 3.72 0.00 0.00 -1.26 -0.38 105.19 106.34 2pyz n GLY 30 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pyz n GLY 30 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pyz n GLN 31 N -2.43 2.49 0.00 1.61 7.27 -0.23 -1.89 117.38 124.21 2pyz n GLN 31 Ca 0.00 0.89 0.00 0.00 0.07 0.00 0.00 57.00 57.96 2pyz n GLN 31 Cb 0.07 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.09 2pyz n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pyz n GLY 32 N 2.08 1.68 3.96 1.69 0.00 -1.26 -4.86 105.19 108.49 2pyz n GLY 32 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2pyz n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pyz s SER 33 N -2.78 5.95 -0.02 1.61 1.04 -0.79 -1.11 113.70 117.60 2pyz s SER 33 Ca 0.00 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.58 2pyz s SER 33 Cb 0.00 -1.50 0.01 0.00 0.10 0.00 0.00 66.02 64.62 2pyz s SER 33 CO 0.00 -0.54 -0.05 0.00 0.98 0.00 0.00 173.24 173.63 2pyz s VAL 35 N 0.26 1.65 -0.11 0.00 1.01 0.14 -1.02 120.40 122.32 2pyz s VAL 35 Ca -0.03 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 2pyz s VAL 35 Cb -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2pyz s VAL 35 CO -0.00 0.47 0.59 -0.31 0.00 0.00 0.00 175.10 175.85 2pyz s TYR 36 N 1.01 3.51 -0.31 5.22 1.51 0.43 -1.42 117.35 127.31 2pyz s TYR 36 Ca -0.05 1.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.97 2pyz s TYR 36 Cb -0.15 -2.70 0.02 0.00 -0.11 0.00 0.00 41.96 39.03 2pyz s TYR 36 CO -0.03 0.07 0.09 0.08 -1.11 0.00 0.00 175.55 174.66 2pyz s VAL 37 N 0.94 3.95 -0.45 0.71 1.01 0.17 -0.72 120.40 126.00 2pyz s VAL 37 Ca 0.31 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 2pyz s VAL 37 Cb -0.16 -3.10 0.08 0.00 0.00 0.00 0.00 36.38 33.20 2pyz s VAL 37 CO 0.13 -0.01 0.33 -0.63 0.00 0.00 0.00 175.10 174.92 2pyz s ILE 38 N 1.47 4.68 0.00 2.22 1.01 -0.93 -1.64 121.20 128.02 2pyz s ILE 38 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2pyz s ILE 38 Cb -0.18 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2pyz s ILE 38 CO 0.03 -0.56 0.00 -0.67 0.00 0.00 0.00 174.94 173.73 2pyz n ASP 39 N 5.05 0.45 -0.26 3.58 2.03 -0.52 -4.33 116.55 122.55 2pyz n ASP 39 Ca -0.11 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.28 2pyz n ASP 39 Cb 0.43 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 41.23 2pyz n ASP 39 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pyz n THR 40 N 0.00 0.12 0.00 5.18 -2.24 -1.26 -1.54 114.28 114.54 2pyz n THR 40 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2pyz n THR 40 Cb 0.00 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2pyz n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pyz n GLY 41 N 0.91 -1.52 2.79 3.38 0.00 -1.26 -4.07 105.19 105.42 2pyz n GLY 41 Ca 0.13 -2.20 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 2pyz n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pyz s ILE 42 N -0.57 -0.02 -1.02 -0.61 1.01 -1.26 -2.88 121.20 115.85 2pyz s ILE 42 Ca 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 2pyz s ILE 42 Cb 0.00 -0.10 -0.01 0.00 0.01 0.00 0.00 42.46 42.35 2pyz s ILE 42 CO 0.00 0.09 1.78 -0.70 0.00 0.00 0.00 174.94 176.11 2pyz s GLU 43 N 0.99 2.99 0.55 2.79 2.12 -1.26 -4.53 118.70 122.35 2pyz s GLU 43 Ca -0.08 -0.83 0.31 0.00 0.36 0.00 0.00 54.97 54.73 2pyz s GLU 43 Cb -0.12 -5.22 1.62 0.00 0.26 0.00 0.00 34.13 30.67 2pyz s GLU 43 CO -0.03 -3.01 2.12 0.00 -0.54 0.00 0.00 175.26 173.81 2pyz h ALA 44 N 10.26 1.21 0.00 6.30 0.00 -1.97 -2.23 119.26 132.84 2pyz h ALA 44 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pyz h ALA 44 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2pyz h ALA 44 CO 1.30 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 179.52 2pyz n SER 45 N -3.48 0.00 -4.67 0.00 3.41 -1.26 -4.66 113.62 102.96 2pyz n SER 45 Ca -0.02 0.28 -0.48 0.00 -0.26 0.00 0.00 58.87 58.40 2pyz n SER 45 Cb 0.21 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 2pyz n SER 45 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2pyz n HIS 46 N -1.43 2.24 -0.16 7.33 -0.00 -0.84 -4.83 115.22 117.52 2pyz n HIS 46 Ca 0.09 0.19 0.28 0.00 0.46 0.00 0.00 57.72 58.74 2pyz n HIS 46 Cb 0.30 -2.58 0.72 0.00 -0.12 0.00 0.00 29.99 28.32 2pyz n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2pyz h PRO 47 N 7.26 0.00 0.00 1.57 0.11 -1.91 -1.17 132.00 137.86 2pyz h PRO 47 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pyz h PRO 47 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2pyz h PRO 47 CO 0.91 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.63 2pyz h GLU 48 N 0.00 0.00 0.00 1.05 4.39 -1.96 -2.20 114.58 115.87 2pyz h GLU 48 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 2pyz h GLU 48 Cb 1.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2pyz h GLU 48 CO -0.00 0.00 -0.73 1.19 -1.16 0.00 0.00 179.01 178.30 2pyz n PHE 49 N -2.78 0.08 -2.54 4.33 3.72 -0.44 -1.35 117.46 118.48 2pyz n PHE 49 Ca -0.01 0.02 -0.18 0.00 -0.05 0.00 0.00 57.45 57.24 2pyz n PHE 49 Cb 0.18 -0.25 -0.00 0.00 -0.94 0.00 0.00 39.48 38.46 2pyz n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2pyz n GLU 50 N -1.63 -2.36 -0.99 -1.08 1.02 -0.83 -0.38 120.64 114.40 2pyz n GLU 50 Ca 0.04 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2pyz n GLU 50 Cb 0.36 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 26.28 2pyz n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pyz n GLY 51 N -1.01 0.49 0.50 0.62 0.00 -1.26 -4.91 105.19 99.61 2pyz n GLY 51 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2pyz n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyz n ARG 52 N -2.27 1.67 -4.69 1.61 1.74 0.49 -4.87 116.66 110.34 2pyz n ARG 52 Ca 0.00 -0.99 -0.32 0.00 -0.77 0.00 0.00 57.85 55.77 2pyz n ARG 52 Cb 0.07 -1.44 -0.12 0.00 -1.02 0.00 0.00 32.46 29.95 2pyz n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pyz s ALA 53 N -1.91 2.74 -0.07 7.54 0.00 -1.26 -0.86 121.76 127.95 2pyz s ALA 53 Ca 0.36 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.08 2pyz s ALA 53 Cb 0.19 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.41 2pyz s ALA 53 CO 0.30 0.58 0.42 1.14 0.00 0.00 0.00 175.76 178.21 2pyz s GLN 54 N -1.15 0.70 0.05 0.00 -2.07 -0.61 -4.85 119.66 111.72 2pyz s GLN 54 Ca 0.14 0.15 -0.29 0.00 -1.82 0.00 0.00 55.36 53.55 2pyz s GLN 54 Cb -0.11 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.09 2pyz s GLN 54 CO 0.04 -0.17 0.91 -1.64 -1.32 0.00 0.00 175.29 173.11 2pyz s MET 55 N -0.81 4.60 -0.01 9.60 -1.94 -1.26 -0.83 119.30 128.66 2pyz s MET 55 Ca -0.09 1.33 0.05 0.00 -1.71 0.00 0.00 55.69 55.27 2pyz s MET 55 Cb -0.04 -3.40 -0.08 0.00 2.01 0.00 0.00 34.83 33.32 2pyz s MET 55 CO 0.04 0.14 0.12 1.33 -0.01 0.00 0.00 175.02 176.65 2pyz n VAL 56 N 3.18 0.00 -3.64 -6.03 0.24 -0.66 -4.86 118.33 106.56 2pyz n VAL 56 Ca 0.02 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 2pyz n VAL 56 Cb 0.50 0.42 -0.07 0.00 -1.47 0.00 0.00 33.84 33.21 2pyz n VAL 56 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2pyz s LYS 57 N -2.32 0.79 0.06 7.34 2.47 -1.20 -5.06 119.74 121.82 2pyz s LYS 57 Ca -0.02 1.03 0.05 0.00 -1.56 0.00 0.00 55.97 55.47 2pyz s LYS 57 Cb 0.03 0.33 -0.03 0.00 -1.46 0.00 0.00 37.83 36.71 2pyz s LYS 57 CO 0.22 -0.11 -0.14 -0.08 0.16 0.00 0.00 175.35 175.41 2pyz s THR 58 N 0.68 1.06 -1.31 3.43 -1.32 -1.26 -1.07 115.64 115.85 2pyz s THR 58 Ca -0.02 -1.19 0.16 0.00 -1.21 0.00 0.00 61.69 59.42 2pyz s THR 58 Cb -0.05 -1.01 0.48 0.00 -1.51 0.00 0.00 72.50 70.40 2pyz s THR 58 CO -0.04 -0.17 1.40 -1.22 -2.21 0.00 0.00 174.62 172.38 2pyz n TYR 59 N 1.48 0.75 -4.10 9.09 4.02 -0.64 -4.95 117.16 122.81 2pyz n TYR 59 Ca -0.20 -0.52 -0.05 0.00 -0.01 0.00 0.00 57.90 57.12 2pyz n TYR 59 Cb 0.54 -0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 39.81 2pyz n TYR 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pyz n TYR 60 N 0.95 0.11 0.14 -0.72 4.02 -1.26 -5.05 117.16 115.34 2pyz n TYR 60 Ca 0.18 -0.43 0.03 0.00 -0.01 0.00 0.00 57.90 57.67 2pyz n TYR 60 Cb 0.55 -0.03 0.43 0.00 -0.02 0.00 0.00 39.34 40.28 2pyz n TYR 60 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 2pyz h TYR 61 N 1.08 0.21 -3.50 -0.72 0.05 -2.00 -3.44 116.97 108.65 2pyz h TYR 61 Ca -0.06 -0.02 -0.31 0.00 0.05 0.00 0.00 58.73 58.39 2pyz h TYR 61 Cb 0.21 -0.06 -0.15 0.00 1.01 0.00 0.00 36.73 37.74 2pyz h TYR 61 CO 0.00 0.30 -0.70 0.45 -1.05 0.00 0.00 178.16 177.16 2pyz s SER 62 N -6.90 1.61 0.00 3.88 0.15 -1.26 -5.04 113.70 106.15 2pyz s SER 62 Ca -0.05 -1.05 0.25 0.00 0.70 0.00 0.00 55.95 55.80 2pyz s SER 62 Cb 0.16 0.02 0.63 0.00 -1.71 0.00 0.00 66.02 65.13 2pyz s SER 62 CO 0.72 -0.40 1.51 -1.54 1.20 0.00 0.00 173.24 174.73 2pyz n SER 63 N -0.19 2.29 -4.76 5.45 3.41 -1.26 -4.80 113.62 113.75 2pyz n SER 63 Ca -0.10 -1.77 -0.41 0.00 -0.26 0.00 0.00 58.87 56.34 2pyz n SER 63 Cb 0.61 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2pyz n SER 63 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2pyz s ARG 64 N -1.89 4.49 -0.68 4.33 3.52 -1.26 -4.55 118.95 122.90 2pyz s ARG 64 Ca 0.34 2.00 -0.27 0.00 -0.13 0.00 0.00 55.73 57.67 2pyz s ARG 64 Cb 0.20 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.48 2pyz s ARG 64 CO 0.31 -0.02 1.22 0.34 -0.81 0.00 0.00 175.30 176.33 2pyz s ASP 65 N -0.48 6.24 0.00 -2.12 2.15 -1.26 -4.82 116.67 116.38 2pyz s ASP 65 Ca 0.48 -0.34 0.17 0.00 0.43 0.00 0.00 52.55 53.29 2pyz s ASP 65 Cb -0.36 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.21 2pyz s ASP 65 CO 0.45 -1.69 1.40 0.61 -0.17 0.00 0.00 175.17 175.76 2pyz n GLY 66 N 5.28 1.10 0.60 2.66 0.00 -1.26 -4.51 105.19 109.06 2pyz n GLY 66 Ca 0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2pyz n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pyz n ASN 67 N 0.85 1.31 0.00 1.61 2.85 -1.26 -4.93 115.26 115.69 2pyz n ASN 67 Ca 0.16 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 2pyz n ASN 67 Cb 0.41 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.95 2pyz n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pyz n GLY 68 N 2.41 0.53 0.17 8.20 0.00 -1.26 -4.89 105.19 110.35 2pyz n GLY 68 Ca -0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2pyz n GLY 68 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2pyz h HIS 69 N 0.00 0.29 -0.62 1.61 6.17 -1.95 -0.58 115.15 120.08 2pyz h HIS 69 Ca 0.00 0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.01 2pyz h HIS 69 Cb 0.00 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 29.84 2pyz h HIS 69 CO 0.00 0.12 0.04 0.78 0.71 0.00 0.00 177.93 179.59 2pyz h GLY 70 N 0.33 1.15 1.24 5.26 0.00 -1.89 -1.28 103.07 107.89 2pyz h GLY 70 Ca 0.18 -0.81 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 2pyz h GLY 70 CO -0.17 0.75 0.08 -0.84 0.00 0.00 0.00 176.54 176.35 2pyz h THR 71 N 0.97 1.25 0.09 4.70 2.02 -1.30 -0.83 112.91 119.81 2pyz h THR 71 Ca 0.18 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 2pyz h THR 71 Cb 0.51 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2pyz h THR 71 CO 0.02 0.36 -0.04 -0.74 0.37 0.00 0.00 175.52 175.49 2pyz h HIS 72 N 0.88 -0.11 -0.09 3.16 6.17 -0.65 -0.40 115.15 124.10 2pyz h HIS 72 Ca 0.18 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.28 2pyz h HIS 72 Cb 0.41 0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.35 2pyz h HIS 72 CO 0.03 0.08 -0.05 0.00 0.71 0.00 0.00 177.93 178.70 2pyz h ALA 74 N 1.03 1.29 -0.97 0.00 0.00 -1.08 -1.76 119.26 117.79 2pyz h ALA 74 Ca 0.06 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2pyz h ALA 74 Cb 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2pyz h ALA 74 CO -0.13 0.18 0.63 0.78 0.00 0.00 0.00 179.25 180.72 2pyz h GLY 75 N 0.90 1.43 1.65 0.00 0.00 -0.50 -1.23 103.07 105.33 2pyz h GLY 75 Ca 0.43 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 2pyz h GLY 75 CO -0.24 0.36 -0.55 -0.84 0.00 0.00 0.00 176.54 175.27 2pyz h THR 76 N 1.16 1.35 0.36 4.70 2.02 -0.78 -1.77 112.91 119.94 2pyz h THR 76 Ca 0.40 -1.84 -0.02 0.00 0.77 0.00 0.00 66.41 65.73 2pyz h THR 76 Cb 0.11 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2pyz h THR 76 CO -0.14 0.55 -0.17 0.58 0.37 0.00 0.00 175.52 176.71 2pyz h VAL 77 N 0.28 0.66 0.00 3.16 2.07 -1.04 -0.11 116.25 121.26 2pyz h VAL 77 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2pyz h VAL 77 Cb 1.06 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2pyz h VAL 77 CO 0.09 0.05 -0.14 0.61 0.02 0.00 0.00 177.57 178.20 2pyz n GLY 78 N -0.91 -0.04 3.81 2.17 0.00 -0.50 -0.33 105.19 109.40 2pyz n GLY 78 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2pyz n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pyz s SER 79 N -0.28 5.40 0.09 1.61 1.04 -0.68 -4.65 113.70 116.23 2pyz s SER 79 Ca 0.00 1.68 -0.30 0.00 0.48 0.00 0.00 55.95 57.81 2pyz s SER 79 Cb 0.00 -2.51 -0.14 0.00 0.10 0.00 0.00 66.02 63.48 2pyz s SER 79 CO 0.00 -1.43 1.63 -0.09 0.98 0.00 0.00 173.24 174.34 2pyz h ARG 80 N -0.50 -0.63 0.17 4.02 2.43 -1.48 -1.73 114.38 116.66 2pyz h ARG 80 Ca -0.44 0.04 -0.32 0.00 -0.81 0.00 0.00 59.98 58.45 2pyz h ARG 80 Cb 1.21 0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2pyz h ARG 80 CO 0.56 -0.42 -1.55 1.15 -1.51 0.00 0.00 179.97 178.21 2pyz h THR 81 N -0.65 1.16 -0.27 0.20 2.02 -1.93 -3.38 112.91 110.06 2pyz h THR 81 Ca -0.03 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.43 2pyz h THR 81 Cb 0.57 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2pyz h THR 81 CO -0.02 0.84 0.00 -1.22 0.37 0.00 0.00 175.52 175.49 2pyz n TYR 82 N -3.56 0.35 -3.98 3.16 4.01 -1.25 -4.76 117.16 111.13 2pyz n TYR 82 Ca -0.18 -0.30 -0.32 0.00 -0.16 0.00 0.00 57.90 56.94 2pyz n TYR 82 Cb 1.07 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 40.03 2pyz n TYR 82 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2pyz s GLY 83 N -1.06 2.12 -0.07 2.72 0.00 -0.65 -4.12 107.32 106.26 2pyz s GLY 83 Ca 0.24 -0.87 -0.26 0.00 0.00 0.00 0.00 44.72 43.83 2pyz s GLY 83 CO 0.19 -0.81 1.03 -2.08 0.00 0.00 0.00 173.10 171.43 2pyz h VAL 84 N 2.57 1.58 -3.57 1.40 2.07 -0.43 -3.41 116.25 116.45 2pyz h VAL 84 Ca -0.47 -1.81 -0.71 0.00 0.82 0.00 0.00 66.70 64.53 2pyz h VAL 84 Cb 1.17 2.76 -0.33 0.00 -1.52 0.00 0.00 31.29 33.37 2pyz h VAL 84 CO 0.70 0.48 -0.29 0.00 0.02 0.00 0.00 177.57 178.47 2pyz s ALA 85 N -3.22 3.64 -1.25 1.67 0.00 0.55 -4.94 121.76 118.20 2pyz s ALA 85 Ca -0.17 -3.19 0.26 0.00 0.00 0.00 0.00 51.96 48.85 2pyz s ALA 85 Cb -0.00 -2.81 1.21 0.00 0.00 0.00 0.00 23.12 21.51 2pyz s ALA 85 CO 0.70 -2.11 1.84 1.63 0.00 0.00 0.00 175.76 177.83 2pyz n LYS 86 N 3.71 0.22 -0.05 0.00 5.02 -0.97 -2.71 118.16 123.39 2pyz n LYS 86 Ca 0.07 0.05 0.03 0.00 -2.02 0.00 0.00 58.31 56.45 2pyz n LYS 86 Cb 0.40 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.96 2pyz n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pyz n LYS 87 N -1.37 2.06 -1.42 1.97 5.02 0.48 -4.67 118.16 120.23 2pyz n LYS 87 Ca 0.10 -1.79 -0.31 0.00 -2.02 0.00 0.00 58.31 54.29 2pyz n LYS 87 Cb 0.24 -1.12 0.08 0.00 -0.02 0.00 0.00 35.03 34.21 2pyz n LYS 87 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2pyz s THR 88 N -1.54 3.47 -0.03 -0.18 -1.32 -1.10 -3.93 115.64 111.00 2pyz s THR 88 Ca 0.11 0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 61.05 2pyz s THR 88 Cb 0.10 -3.11 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 2pyz s THR 88 CO 0.01 -0.63 0.10 -1.10 -2.21 0.00 0.00 174.62 170.79 2pyz s GLN 89 N -5.00 3.18 -0.11 7.08 -0.21 -1.03 -4.91 119.66 118.65 2pyz s GLN 89 Ca 0.60 -0.39 -0.02 0.00 0.02 0.00 0.00 55.36 55.57 2pyz s GLN 89 Cb -0.16 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.88 2pyz s GLN 89 CO 0.55 0.68 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.84 2pyz s LEU 90 N -1.56 3.22 -0.11 2.90 1.43 -0.04 -0.68 118.68 123.85 2pyz s LEU 90 Ca 0.21 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2pyz s LEU 90 Cb -0.12 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2pyz s LEU 90 CO 0.12 0.27 -0.21 -0.36 0.23 0.00 0.00 176.35 176.39 2pyz s PHE 91 N -0.22 2.41 -0.09 0.29 0.08 -0.50 -1.58 117.98 118.36 2pyz s PHE 91 Ca 0.04 -1.08 -0.14 0.00 0.12 0.00 0.00 56.93 55.87 2pyz s PHE 91 Cb -0.13 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.63 2pyz s PHE 91 CO 0.02 -0.48 0.35 0.20 -0.10 0.00 0.00 175.22 175.22 2pyz s GLY 92 N 0.61 2.34 -0.18 4.36 0.00 -0.01 -0.65 107.32 113.78 2pyz s GLY 92 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.25 2pyz s GLY 92 CO 0.04 0.28 -0.09 0.14 0.00 0.00 0.00 173.10 173.47 2pyz s VAL 93 N -0.28 1.45 -0.73 1.40 1.01 -0.65 -1.64 120.40 120.95 2pyz s VAL 93 Ca 0.21 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 2pyz s VAL 93 Cb -0.15 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 34.81 2pyz s VAL 93 CO 0.09 0.19 0.88 -0.75 0.00 0.00 0.00 175.10 175.51 2pyz s LYS 94 N 1.49 3.29 -0.00 2.72 2.20 -0.24 -1.44 119.74 127.76 2pyz s LYS 94 Ca 0.00 -1.50 0.17 0.00 -0.36 0.00 0.00 55.97 54.28 2pyz s LYS 94 Cb -0.16 -4.47 -0.19 0.00 -1.51 0.00 0.00 37.83 31.51 2pyz s LYS 94 CO -0.08 -1.63 0.69 1.33 -0.36 0.00 0.00 175.35 175.30 2pyz n VAL 95 N 5.41 0.00 -4.56 4.02 0.24 -0.59 -1.62 118.33 121.23 2pyz n VAL 95 Ca 0.04 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.34 61.88 2pyz n VAL 95 Cb 0.45 0.94 -0.11 0.00 -1.47 0.00 0.00 33.84 33.66 2pyz n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pyz s LEU 96 N -2.89 3.28 1.13 1.34 1.43 -0.95 -4.61 118.68 117.42 2pyz s LEU 96 Ca 0.06 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 2pyz s LEU 96 Cb 0.13 -1.72 0.27 0.00 0.03 0.00 0.00 46.19 44.89 2pyz s LEU 96 CO 0.69 0.37 1.24 1.51 0.23 0.00 0.00 176.35 180.38 2pyz s ASP 97 N -0.82 1.62 0.00 2.29 1.47 0.10 -4.38 116.67 116.95 2pyz s ASP 97 Ca 0.12 0.31 0.19 0.00 1.18 0.00 0.00 52.55 54.36 2pyz s ASP 97 Cb -0.11 -0.34 0.95 0.00 -0.34 0.00 0.00 42.92 43.07 2pyz s ASP 97 CO 0.02 -3.66 1.57 0.47 0.68 0.00 0.00 175.17 174.25 2pyz n ASP 98 N -4.40 0.00 -0.67 2.11 8.00 -1.26 -0.85 116.55 119.48 2pyz n ASP 98 Ca 0.16 0.01 0.13 0.00 0.71 0.00 0.00 54.79 55.80 2pyz n ASP 98 Cb 0.60 -0.28 0.32 0.00 -0.02 0.00 0.00 41.12 41.73 2pyz n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pyz n ASN 99 N -1.28 2.12 0.00 -2.24 3.02 -1.26 -4.21 115.26 111.40 2pyz n ASN 99 Ca 0.09 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.97 2pyz n ASN 99 Cb 0.15 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2pyz n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pyz n GLY 100 N 1.27 0.52 3.63 7.41 0.00 -0.03 -5.05 105.19 112.94 2pyz n GLY 100 Ca 0.16 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2pyz n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pyz s SER 101 N -2.30 4.44 -0.18 1.61 0.01 -1.26 -4.80 113.70 111.22 2pyz s SER 101 Ca 0.00 -0.71 -0.30 0.00 1.31 0.00 0.00 55.95 56.25 2pyz s SER 101 Cb 0.00 -0.77 0.13 0.00 0.21 0.00 0.00 66.02 65.60 2pyz s SER 101 CO 0.00 -0.03 1.04 -0.83 0.41 0.00 0.00 173.24 173.83 2pyz s GLY 102 N -3.67 -0.23 0.39 3.44 0.00 -1.26 0.01 107.32 106.00 2pyz s GLY 102 Ca 0.32 2.13 -0.21 0.00 0.00 0.00 0.00 44.72 46.96 2pyz s GLY 102 CO 0.20 1.05 0.91 1.20 0.00 0.00 0.00 173.10 176.45 2pyz s GLN 103 N -1.09 4.25 0.32 2.90 -0.21 -1.26 -4.95 119.66 119.62 2pyz s GLN 103 Ca -0.01 1.08 0.04 0.00 0.02 0.00 0.00 55.36 56.49 2pyz s GLN 103 Cb -0.01 -2.33 0.64 0.00 1.00 0.00 0.00 33.01 32.31 2pyz s GLN 103 CO 0.00 0.06 1.88 1.88 -2.12 0.00 0.00 175.29 176.99 2pyz h TYR 104 N 2.20 0.99 -0.71 0.91 0.05 -1.99 -1.62 116.97 116.80 2pyz h TYR 104 Ca -0.48 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.32 2pyz h TYR 104 Cb 1.18 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 2pyz h TYR 104 CO 0.62 0.43 0.42 0.66 -1.05 0.00 0.00 178.16 179.24 2pyz h SER 105 N 0.90 0.85 -0.19 3.88 4.64 -1.99 -0.68 113.55 120.95 2pyz h SER 105 Ca 0.44 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.59 2pyz h SER 105 Cb 0.46 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2pyz h SER 105 CO -0.20 0.66 -0.35 0.74 -0.87 0.00 0.00 176.83 176.80 2pyz h THR 106 N 0.97 1.33 -0.36 2.95 2.02 -1.69 -1.85 112.91 116.29 2pyz h THR 106 Ca 0.25 -1.58 0.01 0.00 0.77 0.00 0.00 66.41 65.86 2pyz h THR 106 Cb -0.03 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2pyz h THR 106 CO -0.05 0.49 0.22 0.40 0.37 0.00 0.00 175.52 176.95 2pyz h ILE 107 N 0.25 1.05 -0.41 3.11 2.04 -1.13 -0.67 117.51 121.75 2pyz h ILE 107 Ca 0.01 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2pyz h ILE 107 Cb 0.95 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2pyz h ILE 107 CO 0.08 0.08 0.16 0.40 0.00 0.00 0.00 178.15 178.87 2pyz h ILE 108 N 0.44 0.90 -0.90 -0.67 2.04 -1.12 -1.59 117.51 116.61 2pyz h ILE 108 Ca 0.14 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.92 2pyz h ILE 108 Cb -0.01 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 2pyz h ILE 108 CO -0.06 0.06 0.58 0.00 0.00 0.00 0.00 178.15 178.74 2pyz h ALA 109 N 1.25 1.20 -0.79 1.87 0.00 -0.82 -1.49 119.26 120.48 2pyz h ALA 109 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2pyz h ALA 109 Cb 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2pyz h ALA 109 CO -0.17 0.43 0.36 0.78 0.00 0.00 0.00 179.25 180.64 2pyz h GLY 110 N 1.12 1.23 0.73 0.00 0.00 -0.62 0.80 103.07 106.33 2pyz h GLY 110 Ca 0.36 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2pyz h GLY 110 CO -0.13 0.59 -0.01 -0.33 0.00 0.00 0.00 176.54 176.66 2pyz h MET 111 N 1.13 0.18 -0.94 4.80 2.07 -0.51 -2.31 114.93 119.35 2pyz h MET 111 Ca 0.27 -0.06 0.08 0.00 -2.07 0.00 0.00 59.70 57.91 2pyz h MET 111 Cb 0.15 -0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 29.80 2pyz h MET 111 CO -0.03 0.47 0.61 -0.44 1.07 0.00 0.00 176.91 178.58 2pyz h ASP 112 N -0.13 0.92 -0.13 1.22 3.32 -1.14 -2.46 116.42 118.03 2pyz h ASP 112 Ca 0.03 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2pyz h ASP 112 Cb 0.39 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2pyz h ASP 112 CO 0.01 0.57 -0.06 0.15 -1.72 0.00 0.00 179.24 178.19 2pyz h PHE 113 N 1.03 -0.13 -0.86 4.55 3.57 -0.66 -2.70 116.94 121.74 2pyz h PHE 113 Ca 0.42 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 2pyz h PHE 113 Cb 0.26 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2pyz h PHE 113 CO -0.00 -0.09 0.54 0.28 -2.23 0.00 0.00 178.31 176.80 2pyz h VAL 114 N -0.04 1.23 -0.55 1.41 2.07 -1.11 0.27 116.25 119.53 2pyz h VAL 114 Ca 0.07 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2pyz h VAL 114 Cb 0.15 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 2pyz h VAL 114 CO -0.15 0.24 0.36 0.00 0.02 0.00 0.00 177.57 178.04 2pyz h ALA 115 N 1.29 1.74 0.05 1.67 0.00 -1.17 -2.36 119.26 120.49 2pyz h ALA 115 Ca 0.31 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2pyz h ALA 115 Cb -0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pyz h ALA 115 CO -0.06 0.19 -0.77 1.03 0.00 0.00 0.00 179.25 179.64 2pyz h SER 116 N 0.62 0.18 -0.21 0.00 0.87 -1.14 -3.39 113.55 110.48 2pyz h SER 116 Ca 0.22 -0.85 0.04 0.00 -1.23 0.00 0.00 61.79 59.98 2pyz h SER 116 Cb 0.12 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2pyz h SER 116 CO -0.06 1.33 0.14 -0.78 -0.53 0.00 0.00 176.83 176.94 2pyz h ASP 117 N -0.72 0.08 0.31 6.23 3.58 -0.23 -2.29 116.42 123.39 2pyz h ASP 117 Ca -0.18 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 2pyz h ASP 117 Cb 1.37 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.40 2pyz h ASP 117 CO -0.01 0.06 -0.12 0.07 -2.88 0.00 0.00 179.24 176.36 2pyz h LYS 118 N 0.09 0.00 0.00 0.28 2.10 -1.62 0.79 116.57 118.22 2pyz h LYS 118 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2pyz h LYS 118 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2pyz h LYS 118 CO -0.01 0.12 0.00 0.09 -2.00 0.00 0.00 179.45 177.65 2pyz n ASN 119 N -3.76 0.45 -1.00 7.07 5.03 -0.86 -2.37 115.26 119.82 2pyz n ASN 119 Ca -0.02 0.63 0.10 0.00 0.87 0.00 0.00 54.58 56.15 2pyz n ASN 119 Cb 0.23 -0.72 0.21 0.00 -1.02 0.00 0.00 39.78 38.48 2pyz n ASN 119 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2pyz n ASN 120 N -2.02 3.31 -4.46 6.41 3.02 0.27 -4.99 115.26 116.81 2pyz n ASN 120 Ca 0.02 -1.94 -0.29 0.00 -0.03 0.00 0.00 54.58 52.33 2pyz n ASN 120 Cb 0.18 -0.29 -0.12 0.00 -0.61 0.00 0.00 39.78 38.94 2pyz n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2pyz s ARG 121 N -1.16 1.68 -0.75 3.52 1.81 -1.00 -5.08 118.95 117.98 2pyz s ARG 121 Ca 0.35 -1.22 -0.19 0.00 -1.72 0.00 0.00 55.73 52.94 2pyz s ARG 121 Cb 0.19 -2.05 0.12 0.00 -0.45 0.00 0.00 34.95 32.76 2pyz s ARG 121 CO 0.26 0.47 0.92 1.21 -0.68 0.00 0.00 175.30 177.48 2pyz s ASN 122 N -2.08 6.38 -0.54 0.23 2.47 -1.26 -4.92 114.94 115.23 2pyz s ASN 122 Ca 0.17 -1.64 0.07 0.00 0.42 0.00 0.00 52.86 51.87 2pyz s ASN 122 Cb -0.10 -2.36 0.24 0.00 -1.45 0.00 0.00 41.25 37.58 2pyz s ASN 122 CO 0.09 -1.13 0.61 0.00 -3.72 0.00 0.00 177.10 172.95 2pyz h PRO 124 N 4.30 0.00 -0.01 0.00 0.13 -1.81 -2.11 132.00 132.50 2pyz h PRO 124 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2pyz h PRO 124 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2pyz h PRO 124 CO 0.65 0.00 -0.48 1.63 -0.23 0.00 0.00 178.00 179.58 2pyz n LYS 125 N -4.25 0.87 0.00 0.86 4.76 -0.26 -5.02 118.16 115.12 2pyz n LYS 125 Ca 0.06 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.84 2pyz n LYS 125 Cb 0.47 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2pyz n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pyz n GLY 126 N 1.41 1.96 3.11 0.72 0.00 -0.79 -4.40 105.19 107.20 2pyz n GLY 126 Ca 0.09 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 2pyz n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyz s VAL 127 N -1.60 1.22 0.07 1.61 1.01 -1.26 -1.66 120.40 119.79 2pyz s VAL 127 Ca 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2pyz s VAL 127 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2pyz s VAL 127 CO 0.00 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 174.57 2pyz s VAL 128 N -0.10 1.54 -0.05 2.92 1.01 -0.19 -1.27 120.40 124.27 2pyz s VAL 128 Ca 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.67 2pyz s VAL 128 Cb -0.09 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 2pyz s VAL 128 CO 0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 175.10 174.93 2pyz s ALA 129 N -1.04 1.59 -0.22 5.51 0.00 0.50 -0.43 121.76 127.67 2pyz s ALA 129 Ca 0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2pyz s ALA 129 Cb -0.09 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2pyz s ALA 129 CO 0.03 0.27 -0.07 0.45 0.00 0.00 0.00 175.76 176.44 2pyz s SER 130 N 0.10 4.11 -0.51 0.00 0.15 0.10 -1.24 113.70 116.41 2pyz s SER 130 Ca -0.06 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.02 2pyz s SER 130 Cb -0.12 -1.67 0.13 0.00 -1.71 0.00 0.00 66.02 62.64 2pyz s SER 130 CO 0.03 -0.05 0.26 -0.76 1.20 0.00 0.00 173.24 173.92 2pyz s LEU 131 N 1.40 4.62 -1.27 3.45 1.43 0.15 -2.18 118.68 126.28 2pyz s LEU 131 Ca 0.04 -2.81 -0.08 0.00 -1.03 0.00 0.00 54.13 50.25 2pyz s LEU 131 Cb -0.15 -1.69 0.17 0.00 0.03 0.00 0.00 46.19 44.55 2pyz s LEU 131 CO -0.05 -0.30 1.98 -1.20 0.23 0.00 0.00 176.35 177.01 2pyz n SER 132 N 3.42 6.01 -3.84 2.29 7.64 -1.26 -1.86 113.62 126.02 2pyz n SER 132 Ca 0.05 -3.16 -0.07 0.00 1.01 0.00 0.00 58.87 56.70 2pyz n SER 132 Cb 0.35 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 2pyz n SER 132 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2pyz s LEU 133 N -0.98 -0.25 0.00 -3.43 0.05 -1.26 -4.88 118.68 107.93 2pyz s LEU 133 Ca 0.42 -0.62 0.00 0.00 0.05 0.00 0.00 54.13 53.98 2pyz s LEU 133 Cb 0.12 2.72 0.00 0.00 -2.05 0.00 0.00 46.19 46.98 2pyz s LEU 133 CO -0.01 -1.35 0.00 0.61 -0.55 0.00 0.00 176.35 175.04 2pyz n GLY 134 N -0.46 0.49 0.00 -3.48 0.00 -1.26 -4.49 105.19 95.99 2pyz n GLY 134 Ca -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2pyz n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyz n GLY 135 N -0.58 2.39 3.72 -0.02 0.00 -0.22 -4.98 105.19 105.49 2pyz n GLY 135 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2pyz n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pyz s GLY 136 N -0.34 1.66 0.20 -0.02 0.00 -1.26 -0.95 107.32 106.61 2pyz s GLY 136 Ca 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 44.72 44.68 2pyz s GLY 136 CO 0.00 0.69 1.28 2.98 0.00 0.00 0.00 173.10 178.05 2pyz n TYR 137 N -3.86 1.69 -3.62 1.90 9.36 -0.65 -3.84 117.16 118.13 2pyz n TYR 137 Ca 0.09 0.57 -0.14 0.00 3.32 0.00 0.00 57.90 61.74 2pyz n TYR 137 Cb 0.53 -2.36 -0.13 0.00 -0.63 0.00 0.00 39.34 36.75 2pyz n TYR 137 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2pyz s SER 138 N 0.14 0.47 0.42 2.98 0.15 -1.26 -4.92 113.70 111.67 2pyz s SER 138 Ca 0.71 0.47 0.11 0.00 0.70 0.00 0.00 55.95 57.94 2pyz s SER 138 Cb -0.76 0.70 0.89 0.00 -1.71 0.00 0.00 66.02 65.13 2pyz s SER 138 CO 0.51 -0.25 1.97 0.77 1.20 0.00 0.00 173.24 177.44 2pyz h SER 139 N 8.28 0.19 -0.41 5.45 4.64 -1.99 -1.61 113.55 128.10 2pyz h SER 139 Ca -0.15 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 2pyz h SER 139 Cb 1.12 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2pyz h SER 139 CO 0.16 0.30 -0.07 0.28 -0.87 0.00 0.00 176.83 176.63 2pyz h SER 140 N 0.20 0.77 -0.41 4.97 0.02 -1.99 -0.47 113.55 116.63 2pyz h SER 140 Ca 0.04 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.58 2pyz h SER 140 Cb 0.27 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2pyz h SER 140 CO 0.01 0.93 -0.02 0.58 -1.14 0.00 0.00 176.83 177.19 2pyz h VAL 141 N 0.59 1.26 -0.93 2.27 2.07 -1.85 -1.56 116.25 118.10 2pyz h VAL 141 Ca 0.11 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.59 2pyz h VAL 141 Cb 0.58 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2pyz h VAL 141 CO 0.03 0.36 0.61 0.78 0.02 0.00 0.00 177.57 179.37 2pyz h ASN 142 N 0.57 1.03 -0.67 0.57 4.21 -1.19 -2.04 115.58 118.07 2pyz h ASN 142 Ca 0.11 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.57 2pyz h ASN 142 Cb 0.52 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.44 2pyz h ASN 142 CO 0.03 0.73 0.26 0.28 -1.29 0.00 0.00 177.43 177.43 2pyz h SER 143 N 1.21 0.93 -0.70 5.81 0.02 -0.68 -0.66 113.55 119.48 2pyz h SER 143 Ca 0.35 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2pyz h SER 143 Cb -0.07 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 2pyz h SER 143 CO -0.10 0.85 0.28 0.00 -1.14 0.00 0.00 176.83 176.72 2pyz h ALA 144 N 1.11 0.91 -0.62 3.77 0.00 -0.93 -0.47 119.26 123.04 2pyz h ALA 144 Ca 0.22 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2pyz h ALA 144 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2pyz h ALA 144 CO -0.02 0.54 0.09 0.00 0.00 0.00 0.00 179.25 179.86 2pyz h ALA 145 N 1.13 0.82 -0.84 0.00 0.00 -0.93 -1.70 119.26 117.73 2pyz h ALA 145 Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2pyz h ALA 145 Cb 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2pyz h ALA 145 CO -0.02 0.59 0.43 0.00 0.00 0.00 0.00 179.25 180.25 2pyz h ALA 146 N 1.02 1.08 -0.29 0.00 0.00 -0.79 -1.83 119.26 118.44 2pyz h ALA 146 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2pyz h ALA 146 Cb 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2pyz h ALA 146 CO 0.01 0.62 0.09 0.00 0.00 0.00 0.00 179.25 179.98 2pyz h ARG 147 N 1.19 0.46 -0.46 0.00 3.08 -0.89 -0.38 114.38 117.38 2pyz h ARG 147 Ca 0.29 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.27 2pyz h ARG 147 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2pyz h ARG 147 CO -0.04 0.51 0.26 1.25 -1.07 0.00 0.00 179.97 180.87 2pyz h LEU 148 N 0.32 0.39 -0.13 3.04 5.85 -1.09 -0.12 115.31 123.57 2pyz h LEU 148 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2pyz h LEU 148 Cb 0.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2pyz h LEU 148 CO -0.00 0.28 0.08 -0.61 -0.34 0.00 0.00 178.44 177.85 2pyz h GLN 149 N 0.51 0.18 -0.89 1.25 5.75 -1.22 -2.74 115.11 117.95 2pyz h GLN 149 Ca 0.19 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.81 2pyz h GLN 149 Cb 0.06 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 2pyz h GLN 149 CO -0.11 0.16 0.57 1.03 -2.65 0.00 0.00 178.83 177.83 2pyz h SER 150 N 0.15 0.69 0.47 -0.69 0.87 -0.59 -1.91 113.55 112.55 2pyz h SER 150 Ca 0.05 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2pyz h SER 150 Cb 0.03 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2pyz h SER 150 CO -0.01 0.36 0.00 -1.54 -0.53 0.00 0.00 176.83 175.11 2pyz n SER 151 N -4.56 0.00 0.00 6.23 3.41 -0.10 -4.83 113.62 113.77 2pyz n SER 151 Ca 0.17 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2pyz n SER 151 Cb 0.43 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2pyz n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pyz n GLY 152 N -0.08 1.68 3.41 5.00 0.00 -0.72 -5.10 105.19 109.39 2pyz n GLY 152 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2pyz n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyz s VAL 153 N -2.00 2.97 -0.46 1.61 1.01 -1.19 -4.59 120.40 117.75 2pyz s VAL 153 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2pyz s VAL 153 Cb 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2pyz s VAL 153 CO 0.00 0.56 1.24 -0.32 0.00 0.00 0.00 175.10 176.58 2pyz s MET 154 N -0.22 3.66 -0.32 2.72 1.75 -0.39 -4.14 119.30 122.36 2pyz s MET 154 Ca 0.01 0.68 -0.14 0.00 -1.25 0.00 0.00 55.69 54.99 2pyz s MET 154 Cb -0.13 -3.95 -0.02 0.00 2.84 0.00 0.00 34.83 33.56 2pyz s MET 154 CO 0.03 -1.46 0.31 0.08 -0.65 0.00 0.00 175.02 173.33 2pyz s VAL 155 N 4.83 5.21 -0.15 10.11 1.01 -1.26 -0.37 120.40 139.78 2pyz s VAL 155 Ca 0.53 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 2pyz s VAL 155 Cb -0.09 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2pyz s VAL 155 CO 0.32 0.02 -0.07 0.00 0.00 0.00 0.00 175.10 175.37 2pyz s ALA 156 N 1.93 2.84 0.07 5.51 0.00 -0.37 -1.07 121.76 130.67 2pyz s ALA 156 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2pyz s ALA 156 Cb -0.16 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 2pyz s ALA 156 CO 0.11 0.14 -0.17 0.14 0.00 0.00 0.00 175.76 175.99 2pyz s VAL 157 N 0.50 1.35 0.30 0.00 -7.23 0.04 -0.67 120.40 114.68 2pyz s VAL 157 Ca -0.05 -1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 2pyz s VAL 157 Cb -0.15 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.46 2pyz s VAL 157 CO 0.03 -0.06 1.20 0.00 -0.31 0.00 0.00 175.10 175.96 2pyz s ALA 158 N -1.07 3.45 0.38 1.32 0.00 -0.78 -1.20 121.76 123.87 2pyz s ALA 158 Ca 0.02 1.07 0.18 0.00 0.00 0.00 0.00 51.96 53.23 2pyz s ALA 158 Cb -0.09 -3.40 0.98 0.00 0.00 0.00 0.00 23.12 20.61 2pyz s ALA 158 CO 0.02 -0.40 1.93 0.00 0.00 0.00 0.00 175.76 177.31 2pyz h ALA 159 N 3.74 1.40 0.00 0.00 0.00 -1.38 -3.39 119.26 119.64 2pyz h ALA 159 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2pyz h ALA 159 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2pyz h ALA 159 CO 0.67 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2pyz n GLY 160 N -0.60 2.63 1.57 0.00 0.00 -1.26 -4.70 105.19 102.83 2pyz n GLY 160 Ca -0.02 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 2pyz n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pyz n ASN 161 N 0.00 3.97 -1.07 1.61 3.02 -1.26 -1.27 115.26 120.26 2pyz n ASN 161 Ca 0.00 -3.79 0.09 0.00 -0.03 0.00 0.00 54.58 50.85 2pyz n ASN 161 Cb 0.00 -0.57 0.26 0.00 -0.61 0.00 0.00 39.78 38.86 2pyz n ASN 161 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pyz n ASN 162 N -0.95 3.57 -4.17 6.41 4.13 -1.07 -4.78 115.26 118.41 2pyz n ASN 162 Ca 0.40 -2.02 -0.29 0.00 1.68 0.00 0.00 54.58 54.35 2pyz n ASN 162 Cb 0.92 -0.39 -0.07 0.00 -1.54 0.00 0.00 39.78 38.71 2pyz n ASN 162 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2pyz n ASN 163 N 1.17 0.32 -3.82 6.41 5.15 -0.34 -4.93 115.26 119.22 2pyz n ASN 163 Ca 0.19 -1.16 -0.14 0.00 -0.60 0.00 0.00 54.58 52.87 2pyz n ASN 163 Cb 0.55 -2.23 -0.08 0.00 -0.53 0.00 0.00 39.78 37.49 2pyz n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pyz s ALA 164 N -4.17 1.22 -0.05 5.20 0.00 -1.26 -4.95 121.76 117.74 2pyz s ALA 164 Ca 0.02 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 2pyz s ALA 164 Cb -0.01 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.42 2pyz s ALA 164 CO 0.95 -0.66 1.50 0.34 0.00 0.00 0.00 175.76 177.89 2pyz s ASP 165 N -3.22 6.78 0.00 0.00 -1.08 -1.26 -1.16 116.67 116.72 2pyz s ASP 165 Ca 0.37 2.11 0.08 0.00 -0.52 0.00 0.00 52.55 54.59 2pyz s ASP 165 Cb 0.04 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.35 2pyz s ASP 165 CO 0.18 -0.83 1.19 0.00 0.52 0.00 0.00 175.17 176.23 2pyz n ALA 166 N 6.37 1.49 0.32 3.66 0.00 -0.03 -2.85 120.51 129.46 2pyz n ALA 166 Ca 0.15 -0.03 0.20 0.00 0.00 0.00 0.00 53.44 53.76 2pyz n ALA 166 Cb 0.43 -1.13 1.07 0.00 0.00 0.00 0.00 19.45 19.82 2pyz n ALA 166 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2pyz h ARG 167 N 0.00 0.00 -0.65 0.00 0.11 -1.90 -1.96 114.38 109.98 2pyz h ARG 167 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pyz h ARG 167 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2pyz h ARG 167 CO 0.00 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.17 2pyz n ASN 168 N -3.24 4.70 -4.19 0.08 5.03 -1.13 -4.81 115.26 111.69 2pyz n ASN 168 Ca -0.02 -2.42 -0.20 0.00 0.87 0.00 0.00 54.58 52.81 2pyz n ASN 168 Cb 0.12 -0.57 -0.13 0.00 -1.02 0.00 0.00 39.78 38.18 2pyz n ASN 168 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2pyz s TYR 169 N -1.79 1.38 0.05 3.10 1.51 -0.74 -1.64 117.35 119.23 2pyz s TYR 169 Ca 0.51 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 2pyz s TYR 169 Cb 0.32 -0.78 -0.02 0.00 -0.11 0.00 0.00 41.96 41.37 2pyz s TYR 169 CO 0.25 0.09 -0.16 -1.12 -1.11 0.00 0.00 175.55 173.50 2pyz s SER 170 N -1.59 1.85 0.00 2.29 0.01 -0.13 -0.55 113.70 115.58 2pyz s SER 170 Ca 0.01 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.82 2pyz s SER 170 Cb -0.09 -0.12 0.20 0.00 0.21 0.00 0.00 66.02 66.22 2pyz s SER 170 CO 0.02 0.04 1.15 -0.81 0.41 0.00 0.00 173.24 174.05 2pyz n PRO 171 N 1.74 1.23 -0.34 12.44 -0.04 -1.26 -1.06 135.00 147.71 2pyz n PRO 171 Ca -0.18 -0.36 0.18 0.00 -0.04 0.00 0.00 63.50 63.09 2pyz n PRO 171 Cb 0.54 -1.11 0.39 0.00 -0.04 0.00 0.00 33.50 33.29 2pyz n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pyz h ALA 172 N 3.25 1.79 0.00 0.55 0.00 -1.75 -1.63 119.26 121.48 2pyz h ALA 172 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pyz h ALA 172 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2pyz h ALA 172 CO 0.00 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 177.82 2pyz n SER 173 N -4.91 0.00 -4.62 0.00 3.41 0.28 -4.77 113.62 103.01 2pyz n SER 173 Ca 0.27 -0.40 -0.43 0.00 -0.26 0.00 0.00 58.87 58.05 2pyz n SER 173 Cb 0.76 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 2pyz n SER 173 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2pyz s GLU 174 N -2.35 3.81 0.42 4.33 2.56 -0.61 -4.92 118.70 121.94 2pyz s GLU 174 Ca 0.32 1.34 0.10 0.00 0.00 0.00 0.00 54.97 56.73 2pyz s GLU 174 Cb 0.18 -3.96 0.90 0.00 2.00 0.00 0.00 34.13 33.25 2pyz s GLU 174 CO 0.37 -1.27 2.00 -1.35 -0.56 0.00 0.00 175.26 174.46 2pyz h PRO 175 N 10.09 0.28 0.00 4.30 0.11 -1.90 -3.14 132.00 141.74 2pyz h PRO 175 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2pyz h PRO 175 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2pyz h PRO 175 CO 1.03 0.30 0.00 -1.13 -0.21 0.00 0.00 178.00 177.99 2pyz n SER 176 N -4.39 0.08 -4.05 -2.05 3.41 -1.26 -4.77 113.62 100.58 2pyz n SER 176 Ca -0.00 0.51 -0.14 0.00 -0.26 0.00 0.00 58.87 58.99 2pyz n SER 176 Cb 0.17 -0.53 0.04 0.00 -0.26 0.00 0.00 64.21 63.63 2pyz n SER 176 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2pyz n VAL 177 N -1.58 0.00 -3.66 -3.33 0.24 -1.19 -4.99 118.33 103.83 2pyz n VAL 177 Ca 0.05 -1.36 -0.39 0.00 -2.04 0.00 0.00 64.34 60.59 2pyz n VAL 177 Cb 0.24 -0.63 -0.11 0.00 -1.47 0.00 0.00 33.84 31.87 2pyz n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pyz s THR 179 N 1.42 5.25 -0.20 0.00 2.01 -1.26 -0.78 115.64 122.06 2pyz s THR 179 Ca 0.02 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 2pyz s THR 179 Cb -0.22 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.63 2pyz s THR 179 CO 0.02 0.29 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.43 2pyz s VAL 180 N 1.14 2.68 0.69 3.82 1.01 -0.34 -1.11 120.40 128.29 2pyz s VAL 180 Ca 0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2pyz s VAL 180 Cb -0.14 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.13 2pyz s VAL 180 CO 0.07 0.46 0.97 -0.83 0.00 0.00 0.00 175.10 175.76 2pyz s GLY 181 N 1.37 1.76 0.03 4.51 0.00 -0.02 -1.06 107.32 113.91 2pyz s GLY 181 Ca 0.05 -1.32 0.07 0.00 0.00 0.00 0.00 44.72 43.52 2pyz s GLY 181 CO -0.08 -0.87 -0.19 0.00 0.00 0.00 0.00 173.10 171.96 2pyz s ALA 182 N -3.13 2.52 0.31 3.20 0.00 -1.26 -1.39 121.76 122.02 2pyz s ALA 182 Ca 0.62 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 51.49 2pyz s ALA 182 Cb -0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 2pyz s ALA 182 CO 0.43 0.56 -0.06 -1.54 0.00 0.00 0.00 175.76 175.15 2pyz s SER 183 N -1.27 3.17 0.53 0.00 1.04 -0.18 -0.87 113.70 116.11 2pyz s SER 183 Ca 0.14 -1.21 0.05 0.00 0.48 0.00 0.00 55.95 55.40 2pyz s SER 183 Cb -0.10 -0.24 0.05 0.00 0.10 0.00 0.00 66.02 65.82 2pyz s SER 183 CO 0.04 -0.31 0.37 -0.90 0.98 0.00 0.00 173.24 173.42 2pyz n ASP 184 N -0.69 2.73 0.03 7.02 5.68 -0.19 -0.73 116.55 130.39 2pyz n ASP 184 Ca -0.05 -2.84 0.09 0.00 -0.50 0.00 0.00 54.79 51.49 2pyz n ASP 184 Cb 0.64 -0.02 0.40 0.00 -1.14 0.00 0.00 41.12 40.99 2pyz n ASP 184 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2pyz n ARG 185 N -1.71 0.04 -0.52 0.11 1.85 -1.26 -1.37 116.66 113.80 2pyz n ARG 185 Ca -0.03 0.23 0.09 0.00 -1.00 0.00 0.00 57.85 57.14 2pyz n ARG 185 Cb 0.60 -1.57 0.32 0.00 -1.05 0.00 0.00 32.46 30.76 2pyz n ARG 185 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2pyz n TYR 186 N -1.65 1.27 -2.92 2.89 4.01 -1.26 -4.49 117.16 115.01 2pyz n TYR 186 Ca 0.04 -0.52 -0.21 0.00 -0.16 0.00 0.00 57.90 57.05 2pyz n TYR 186 Cb 0.22 -0.18 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 2pyz n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2pyz n ASP 187 N 1.09 -5.94 -4.85 7.72 8.00 -0.47 -4.90 116.55 117.19 2pyz n ASP 187 Ca 0.23 -0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.18 2pyz n ASP 187 Cb 0.77 -4.78 -0.05 0.00 -0.02 0.00 0.00 41.12 37.03 2pyz n ASP 187 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2pyz s ARG 188 N -5.58 3.17 0.18 -1.24 0.52 -1.26 -0.72 118.95 114.02 2pyz s ARG 188 Ca 0.26 -0.57 -0.33 0.00 -0.52 0.00 0.00 55.73 54.56 2pyz s ARG 188 Cb -0.11 -2.88 -0.14 0.00 0.52 0.00 0.00 34.95 32.33 2pyz s ARG 188 CO 0.32 0.58 1.49 -2.13 0.02 0.00 0.00 175.30 175.58 2pyz n ARG 189 N 0.32 1.97 -1.75 3.54 0.63 -0.42 -1.03 116.66 119.92 2pyz n ARG 189 Ca -0.07 0.71 -0.41 0.00 -0.92 0.00 0.00 57.85 57.16 2pyz n ARG 189 Cb 0.51 -2.42 0.01 0.00 0.45 0.00 0.00 32.46 31.01 2pyz n ARG 189 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2pyz n SER 190 N 2.90 3.32 0.24 6.15 7.64 -0.05 -4.75 113.62 129.07 2pyz n SER 190 Ca 0.15 1.16 0.13 0.00 1.01 0.00 0.00 58.87 61.33 2pyz n SER 190 Cb 0.28 -1.58 0.78 0.00 -1.01 0.00 0.00 64.21 62.68 2pyz n SER 190 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2pyz h SER 191 N 2.50 0.00 0.49 6.43 4.64 -1.91 -0.81 113.55 124.89 2pyz h SER 191 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2pyz h SER 191 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2pyz h SER 191 CO 0.62 0.00 -0.72 2.22 -0.87 0.00 0.00 176.83 178.08 2pyz n PHE 192 N -4.14 0.16 -2.03 4.77 1.16 -1.26 -4.66 117.46 111.46 2pyz n PHE 192 Ca -0.01 0.05 -0.41 0.00 -1.87 0.00 0.00 57.45 55.20 2pyz n PHE 192 Cb 0.17 -0.34 -0.02 0.00 -1.61 0.00 0.00 39.48 37.68 2pyz n PHE 192 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2pyz s SER 193 N -3.45 6.68 0.94 5.98 0.15 -0.31 -1.20 113.70 122.48 2pyz s SER 193 Ca 0.08 2.64 -0.11 0.00 0.70 0.00 0.00 55.95 59.25 2pyz s SER 193 Cb 0.16 -2.62 0.15 0.00 -1.71 0.00 0.00 66.02 62.00 2pyz s SER 193 CO 0.75 -0.69 1.09 0.20 1.20 0.00 0.00 173.24 175.79 2pyz s ASN 194 N 0.37 3.01 0.00 5.45 0.02 -0.40 -3.99 114.94 119.41 2pyz s ASN 194 Ca 0.59 1.62 0.00 0.00 -1.02 0.00 0.00 52.86 54.05 2pyz s ASN 194 Cb -0.41 -2.27 0.00 0.00 0.02 0.00 0.00 41.25 38.59 2pyz s ASN 194 CO 0.43 -2.95 0.00 0.00 0.02 0.00 0.00 177.10 174.60 2pyz n TYR 195 N -4.10 -0.27 0.00 2.20 0.18 -0.31 -4.77 117.16 110.09 2pyz n TYR 195 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 2pyz n TYR 195 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 2pyz n TYR 195 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2pyz n GLY 196 N 0.00 2.42 0.23 -7.48 0.00 -1.26 -0.85 105.19 98.24 2pyz n GLY 196 Ca 0.00 -2.16 0.16 0.00 0.00 0.00 0.00 46.02 44.01 2pyz n GLY 196 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pyz h SER 197 N 0.00 0.00 1.58 1.61 4.64 -1.96 -2.61 113.55 116.81 2pyz h SER 197 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pyz h SER 197 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pyz h SER 197 CO 0.00 0.00 0.00 1.62 -0.87 0.00 0.00 176.83 177.58 2pyz h VAL 198 N 0.00 0.00 -3.66 0.95 3.04 -1.89 -3.46 116.25 111.24 2pyz h VAL 198 Ca 0.00 -0.73 -0.53 0.00 -1.01 0.00 0.00 66.70 64.43 2pyz h VAL 198 Cb 0.44 1.71 0.09 0.00 -2.01 0.00 0.00 31.29 31.52 2pyz h VAL 198 CO 0.00 0.00 0.81 -0.76 -1.01 0.00 0.00 177.57 176.61 2pyz s LEU 199 N -5.75 4.34 -0.20 3.16 1.02 -0.99 -4.59 118.68 115.67 2pyz s LEU 199 Ca 0.06 2.97 0.15 0.00 0.02 0.00 0.00 54.13 57.33 2pyz s LEU 199 Cb 0.08 -3.65 -0.23 0.00 0.02 0.00 0.00 46.19 42.40 2pyz s LEU 199 CO 0.61 -0.86 0.04 0.47 0.02 0.00 0.00 176.35 176.62 2pyz n ASP 200 N 1.29 0.42 -3.54 2.29 8.00 -0.26 -4.64 116.55 120.10 2pyz n ASP 200 Ca 0.04 -0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 2pyz n ASP 200 Cb 0.39 0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 42.13 2pyz n ASP 200 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2pyz s ILE 201 N -2.50 0.00 0.08 0.53 1.10 -1.14 -4.79 121.20 114.47 2pyz s ILE 201 Ca -0.15 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.05 2pyz s ILE 201 Cb 0.07 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.64 2pyz s ILE 201 CO 0.79 0.00 -0.05 -0.36 -2.11 0.00 0.00 174.94 173.21 2pyz s PHE 202 N -1.90 2.89 0.12 3.50 0.40 -0.15 -0.84 117.98 122.00 2pyz s PHE 202 Ca -0.00 -0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2pyz s PHE 202 Cb -0.01 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 2pyz s PHE 202 CO -0.01 0.44 0.03 0.20 0.70 0.00 0.00 175.22 176.58 2pyz s GLY 203 N -2.10 0.93 0.18 4.36 0.00 -0.48 -1.39 107.32 108.82 2pyz s GLY 203 Ca 0.23 -1.44 -0.33 0.00 0.00 0.00 0.00 44.72 43.18 2pyz s GLY 203 CO 0.15 -1.38 1.67 -1.05 0.00 0.00 0.00 173.10 172.49 2pyz n PRO 204 N -0.08 2.50 0.00 2.90 -0.02 -1.26 -1.02 135.00 138.02 2pyz n PRO 204 Ca -0.07 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2pyz n PRO 204 Cb 0.63 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2pyz n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pyz n GLY 205 N 3.76 0.75 3.61 -1.23 0.00 0.09 -3.10 105.19 109.06 2pyz n GLY 205 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2pyz n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pyz s THR 206 N -0.08 5.14 -0.94 2.61 2.01 -1.02 -0.57 115.64 122.79 2pyz s THR 206 Ca 0.00 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 2pyz s THR 206 Cb 0.00 -3.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.05 2pyz s THR 206 CO 0.00 0.33 0.83 0.47 -0.69 0.00 0.00 174.62 175.56 2pyz n ASP 207 N 4.53 -6.55 -4.55 3.53 8.00 -1.22 -4.66 116.55 115.63 2pyz n ASP 207 Ca -0.15 -0.58 -0.40 0.00 0.71 0.00 0.00 54.79 54.37 2pyz n ASP 207 Cb 0.52 -4.96 -0.10 0.00 -0.02 0.00 0.00 41.12 36.55 2pyz n ASP 207 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pyz s ILE 208 N -3.31 5.26 -0.05 0.53 -1.09 -0.16 -4.86 121.20 117.51 2pyz s ILE 208 Ca 0.37 -0.06 -0.26 0.00 -2.23 0.00 0.00 60.65 58.47 2pyz s ILE 208 Cb -0.05 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2pyz s ILE 208 CO 0.70 0.02 0.82 -0.22 -1.23 0.00 0.00 174.94 175.04 2pyz s LEU 209 N 1.81 4.32 0.00 2.97 2.96 -1.26 -2.16 118.68 127.31 2pyz s LEU 209 Ca 0.08 1.37 -0.07 0.00 -0.22 0.00 0.00 54.13 55.28 2pyz s LEU 209 Cb -0.17 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.26 2pyz s LEU 209 CO 0.11 -0.21 0.47 -0.24 -1.32 0.00 0.00 176.35 175.16 2pyz n SER 210 N 4.01 -1.35 -4.76 3.68 2.88 -0.78 -4.89 113.62 112.41 2pyz n SER 210 Ca 0.02 -2.12 -0.34 0.00 -1.33 0.00 0.00 58.87 55.10 2pyz n SER 210 Cb 0.51 2.31 0.04 0.00 -0.75 0.00 0.00 64.21 66.32 2pyz n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2pyz s THR 211 N -2.49 2.96 0.15 2.46 -4.23 -1.26 -1.42 115.64 111.81 2pyz s THR 211 Ca 0.13 0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 61.11 2pyz s THR 211 Cb -0.03 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 2pyz s THR 211 CO 0.10 -0.22 0.14 0.86 -0.54 0.00 0.00 174.62 174.95 2pyz s TRP 212 N -2.05 0.77 0.89 3.99 -0.11 -0.36 -2.90 118.94 119.18 2pyz s TRP 212 Ca 0.71 -1.12 -0.11 0.00 1.22 0.00 0.00 56.10 56.81 2pyz s TRP 212 Cb -0.24 -0.36 0.13 0.00 -1.50 0.00 0.00 33.47 31.49 2pyz s TRP 212 CO 0.38 -0.60 1.10 0.96 -4.62 0.00 0.00 176.95 174.17 2pyz s ILE 213 N -4.04 2.64 -0.95 5.86 -4.36 -1.26 -2.30 121.20 116.78 2pyz s ILE 213 Ca 0.24 0.21 0.00 0.00 -0.26 0.00 0.00 60.65 60.84 2pyz s ILE 213 Cb 0.06 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.25 2pyz s ILE 213 CO 0.03 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.55 2pyz n GLY 214 N -0.58 0.37 3.12 6.27 0.00 -1.26 -3.35 105.19 109.76 2pyz n GLY 214 Ca 0.09 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 2pyz n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyz n GLY 215 N -1.26 -0.52 0.00 -0.02 0.00 -1.23 -4.99 105.19 97.16 2pyz n GLY 215 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2pyz n GLY 215 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pyz n SER 216 N -2.56 1.37 -3.94 1.61 2.88 -0.97 -4.97 113.62 107.04 2pyz n SER 216 Ca -0.09 -0.66 -0.09 0.00 -1.33 0.00 0.00 58.87 56.70 2pyz n SER 216 Cb 0.61 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.97 2pyz n SER 216 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2pyz s THR 217 N 0.21 0.13 0.20 2.46 -4.23 -1.26 -1.22 115.64 111.93 2pyz s THR 217 Ca 0.00 -1.07 -0.22 0.00 -1.18 0.00 0.00 61.69 59.22 2pyz s THR 217 Cb 0.00 -0.80 0.05 0.00 1.34 0.00 0.00 72.50 73.09 2pyz s THR 217 CO 0.00 -0.59 0.65 0.00 -0.54 0.00 0.00 174.62 174.14 2pyz s ARG 218 N -2.41 1.45 -0.22 3.99 1.70 -0.51 -4.81 118.95 118.14 2pyz s ARG 218 Ca -0.07 -0.65 -0.06 0.00 -0.47 0.00 0.00 55.73 54.48 2pyz s ARG 218 Cb -0.02 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 34.92 2pyz s ARG 218 CO -0.04 -0.65 0.03 -1.12 -1.08 0.00 0.00 175.30 172.45 2pyz s SER 219 N -2.81 5.01 0.26 -2.89 0.01 -1.26 -1.86 113.70 110.16 2pyz s SER 219 Ca 0.05 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2pyz s SER 219 Cb -0.03 -1.88 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 2pyz s SER 219 CO -0.06 0.03 0.09 0.27 0.41 0.00 0.00 173.24 173.98 2pyz s ILE 220 N 1.22 0.57 0.06 1.44 -4.36 -0.92 -4.82 121.20 114.39 2pyz s ILE 220 Ca 0.04 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 2pyz s ILE 220 Cb -0.15 -2.62 -0.03 0.00 1.25 0.00 0.00 42.46 40.92 2pyz s ILE 220 CO 0.02 -0.02 -0.17 -0.44 0.24 0.00 0.00 174.94 174.57 2pyz s SER 221 N -3.31 2.05 0.00 4.36 0.01 -1.26 -0.99 113.70 114.55 2pyz s SER 221 Ca 0.37 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2pyz s SER 221 Cb 0.08 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2pyz s SER 221 CO 0.13 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2pyz n GLY 222 N 1.63 2.30 0.21 3.44 0.00 0.27 -4.87 105.19 108.16 2pyz n GLY 222 Ca -0.19 -1.04 0.15 0.00 0.00 0.00 0.00 46.02 44.94 2pyz n GLY 222 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pyz h THR 223 N 0.98 0.00 0.00 2.61 1.35 -1.85 -1.51 112.91 114.49 2pyz h THR 223 Ca 0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 2pyz h THR 223 Cb 0.00 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 2pyz h THR 223 CO 0.00 0.00 -0.02 0.28 -0.25 0.00 0.00 175.52 175.53 2pyz h SER 224 N 0.00 0.00 0.63 5.36 0.02 -1.89 -2.10 113.55 115.57 2pyz h SER 224 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2pyz h SER 224 Cb 0.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 2pyz h SER 224 CO 0.00 0.02 -1.51 0.24 -1.14 0.00 0.00 176.83 174.44 2pyz h MET 225 N 0.00 0.00 -0.29 3.45 2.86 -1.57 -3.36 114.93 116.03 2pyz h MET 225 Ca -0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 2pyz h MET 225 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2pyz h MET 225 CO 0.00 0.39 -0.53 0.00 1.06 0.00 0.00 176.91 177.83 2pyz h ALA 226 N 1.24 0.45 -0.09 6.32 0.00 -1.37 -3.33 119.26 122.47 2pyz h ALA 226 Ca -0.21 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.22 2pyz h ALA 226 Cb 1.77 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 2pyz h ALA 226 CO 0.06 0.66 -0.10 1.15 0.00 0.00 0.00 179.25 181.02 2pyz h THR 227 N 0.65 0.72 0.00 0.00 2.02 -1.53 -2.19 112.91 112.58 2pyz h THR 227 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2pyz h THR 227 Cb 1.14 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2pyz h THR 227 CO 0.12 0.00 -0.07 1.55 0.37 0.00 0.00 175.52 177.49 2pyz h PRO 228 N -0.13 0.00 -0.47 6.66 0.13 -1.73 -0.29 132.00 136.16 2pyz h PRO 228 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2pyz h PRO 228 Cb 0.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 2pyz h PRO 228 CO -0.17 0.07 0.31 0.45 -0.23 0.00 0.00 178.00 178.43 2pyz h HIS 229 N 0.00 0.59 -0.19 1.56 3.86 -1.51 0.63 115.15 120.10 2pyz h HIS 229 Ca -0.00 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.06 2pyz h HIS 229 Cb 0.19 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.46 2pyz h HIS 229 CO 0.00 0.38 -0.52 0.28 0.86 0.00 0.00 177.93 178.93 2pyz h VAL 230 N 0.64 1.31 -0.45 2.45 2.07 -1.18 -0.65 116.25 120.43 2pyz h VAL 230 Ca 0.17 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 65.95 2pyz h VAL 230 Cb -0.07 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2pyz h VAL 230 CO -0.04 0.55 0.30 0.00 0.02 0.00 0.00 177.57 178.40 2pyz h ALA 231 N 0.58 0.57 -0.60 1.67 0.00 -1.08 0.25 119.26 120.66 2pyz h ALA 231 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pyz h ALA 231 Cb 1.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2pyz h ALA 231 CO 0.11 0.02 0.34 0.78 0.00 0.00 0.00 179.25 180.50 2pyz h GLY 232 N 0.61 0.89 0.97 0.00 0.00 -0.83 -2.14 103.07 102.58 2pyz h GLY 232 Ca 0.17 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2pyz h GLY 232 CO -0.04 0.38 0.18 -2.00 0.00 0.00 0.00 176.54 175.06 2pyz h LEU 233 N 0.82 0.72 -0.15 3.11 5.85 -0.83 -1.38 115.31 123.45 2pyz h LEU 233 Ca 0.21 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2pyz h LEU 233 Cb 0.03 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 2pyz h LEU 233 CO -0.04 0.71 -0.27 0.00 -0.34 0.00 0.00 178.44 178.51 2pyz h ALA 234 N 1.03 -0.26 -0.72 1.25 0.00 -0.72 0.17 119.26 120.02 2pyz h ALA 234 Ca 0.16 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2pyz h ALA 234 Cb 0.24 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2pyz h ALA 234 CO -0.01 -0.73 0.37 0.00 0.00 0.00 0.00 179.25 178.88 2pyz h ALA 235 N 0.59 1.00 -0.37 0.00 0.00 -1.16 -0.23 119.26 119.08 2pyz h ALA 235 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pyz h ALA 235 Cb 0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2pyz h ALA 235 CO -0.33 -0.03 0.24 -0.92 0.00 0.00 0.00 179.25 178.21 2pyz h TYR 236 N 0.63 0.48 -0.06 0.00 3.20 -0.88 -1.66 116.97 118.68 2pyz h TYR 236 Ca 0.35 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.08 2pyz h TYR 236 Cb 0.36 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2pyz h TYR 236 CO -0.10 0.32 -0.62 -0.07 -1.64 0.00 0.00 178.16 176.05 2pyz h LEU 237 N 0.50 0.25 -0.47 2.82 3.38 -0.33 -2.44 115.31 119.03 2pyz h LEU 237 Ca 0.14 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2pyz h LEU 237 Cb -0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2pyz h LEU 237 CO -0.03 0.80 -0.17 0.24 0.09 0.00 0.00 178.44 179.37 2pyz h MET 238 N 0.16 0.94 -0.97 1.13 2.86 -0.91 -1.28 114.93 116.86 2pyz h MET 238 Ca -0.01 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2pyz h MET 238 Cb 1.13 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.70 2pyz h MET 238 CO 0.09 1.05 0.63 1.15 1.06 0.00 0.00 176.91 180.89 2pyz h THR 239 N 0.79 1.26 0.00 2.22 2.02 -1.17 -1.22 112.91 116.81 2pyz h THR 239 Ca 0.11 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2pyz h THR 239 Cb 0.74 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2pyz h THR 239 CO 0.06 0.25 0.00 0.18 0.37 0.00 0.00 175.52 176.38 2pyz n LEU 240 N -4.37 0.44 -0.03 2.58 4.77 -0.93 -4.90 117.00 114.56 2pyz n LEU 240 Ca 0.11 0.60 -0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2pyz n LEU 240 Cb 0.03 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.59 2pyz n LEU 240 CO 0.37 -0.40 -0.00 0.61 -1.33 0.00 0.00 177.39 176.64 2pyz n GLY 241 N 0.19 0.43 0.17 -0.72 0.00 -0.46 -4.94 105.19 99.87 2pyz n GLY 241 Ca 0.03 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.28 2pyz n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pyz h LYS 242 N 0.22 0.00 -3.24 1.61 1.57 -1.48 -3.48 116.57 111.77 2pyz h LYS 242 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2pyz h LYS 242 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2pyz h LYS 242 CO 0.01 0.33 0.14 -0.08 -0.57 0.00 0.00 179.45 179.28 2pyz s THR 243 N -3.09 0.00 0.37 -0.16 -1.32 -1.25 -5.04 115.64 105.15 2pyz s THR 243 Ca 0.05 -1.14 0.06 0.00 -1.21 0.00 0.00 61.69 59.44 2pyz s THR 243 Cb 0.07 -2.45 -0.07 0.00 -1.51 0.00 0.00 72.50 68.54 2pyz s THR 243 CO 0.71 0.00 0.03 0.42 -2.21 0.00 0.00 174.62 173.57 2pyz s THR 244 N -3.22 1.66 0.32 5.08 -4.23 -1.26 -4.47 115.64 109.51 2pyz s THR 244 Ca 0.17 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 2pyz s THR 244 Cb -0.04 -2.90 0.29 0.00 1.34 0.00 0.00 72.50 71.19 2pyz s THR 244 CO 0.11 -0.01 1.91 0.00 -0.54 0.00 0.00 174.62 176.09 2pyz h ALA 245 N 1.93 1.58 0.00 3.99 0.00 -1.90 -0.18 119.26 124.68 2pyz h ALA 245 Ca -0.43 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2pyz h ALA 245 Cb 1.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2pyz h ALA 245 CO 0.76 0.27 -0.37 0.00 0.00 0.00 0.00 179.25 179.90 2pyz h ALA 246 N 1.54 1.35 -0.01 0.00 0.00 -1.90 -3.31 119.26 116.93 2pyz h ALA 246 Ca 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pyz h ALA 246 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pyz h ALA 246 CO -0.15 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 2pyz n SER 247 N -4.05 1.36 -0.29 0.00 3.41 -0.86 -4.76 113.62 108.44 2pyz n SER 247 Ca -0.02 -1.31 -0.03 0.00 -0.26 0.00 0.00 58.87 57.25 2pyz n SER 247 Cb 0.41 -0.01 0.12 0.00 -0.26 0.00 0.00 64.21 64.48 2pyz n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pyz h ALA 248 N 0.17 1.21 -0.28 7.33 0.00 -1.14 0.26 119.26 126.80 2pyz h ALA 248 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2pyz h ALA 248 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pyz h ALA 248 CO 0.00 0.63 0.06 0.00 0.00 0.00 0.00 179.25 179.94 2pyz h ARG 250 N 0.29 0.73 -0.50 0.00 2.43 -1.84 -1.25 114.38 114.24 2pyz h ARG 250 Ca 0.09 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pyz h ARG 250 Cb 0.31 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2pyz h ARG 250 CO 0.00 0.57 0.33 -0.92 -1.51 0.00 0.00 179.97 178.45 2pyz h TYR 251 N 0.69 0.63 -0.65 2.20 3.20 -0.66 0.29 116.97 122.68 2pyz h TYR 251 Ca 0.18 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2pyz h TYR 251 Cb 0.06 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 2pyz h TYR 251 CO -0.01 0.40 0.43 0.82 -1.64 0.00 0.00 178.16 178.15 2pyz h ILE 252 N 0.68 1.17 -0.67 1.81 2.04 -0.72 -1.50 117.51 120.32 2pyz h ILE 252 Ca 0.18 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 2pyz h ILE 252 Cb -0.07 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 2pyz h ILE 252 CO -0.04 0.17 0.10 0.00 0.00 0.00 0.00 178.15 178.38 2pyz h ALA 253 N 1.23 0.91 -0.32 1.87 0.00 -0.94 -0.94 119.26 121.07 2pyz h ALA 253 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2pyz h ALA 253 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2pyz h ALA 253 CO -0.05 0.67 -0.04 -0.44 0.00 0.00 0.00 179.25 179.39 2pyz h ASP 254 N 1.04 0.48 -0.37 0.00 3.32 -0.60 -3.02 116.42 117.27 2pyz h ASP 254 Ca 0.20 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2pyz h ASP 254 Cb 0.45 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2pyz h ASP 254 CO 0.01 0.58 0.00 0.35 -1.72 0.00 0.00 179.24 178.47 2pyz n THR 255 N -4.26 0.82 -1.32 0.35 -2.24 -0.60 -5.02 114.28 102.03 2pyz n THR 255 Ca 0.01 -0.91 -0.32 0.00 -2.27 0.00 0.00 64.05 60.56 2pyz n THR 255 Cb 0.27 0.64 0.09 0.00 -2.10 0.00 0.00 70.33 69.23 2pyz n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pyz s ALA 256 N -1.03 2.16 0.03 6.98 0.00 -0.37 -4.64 121.76 124.90 2pyz s ALA 256 Ca 0.27 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 2pyz s ALA 256 Cb 0.15 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2pyz s ALA 256 CO 0.20 -1.82 1.64 -0.80 0.00 0.00 0.00 175.76 174.97 2pyz s ASN 257 N -2.88 6.64 -0.14 0.00 0.02 -0.32 -4.84 114.94 113.42 2pyz s ASN 257 Ca 0.65 2.40 -0.04 0.00 -1.02 0.00 0.00 52.86 54.85 2pyz s ASN 257 Cb -0.20 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.48 2pyz s ASN 257 CO 0.51 -0.88 -0.00 -0.54 0.02 0.00 0.00 177.10 176.21 2pyz s LYS 258 N 2.96 3.53 0.00 -0.60 1.02 -1.26 -1.16 119.74 124.24 2pyz s LYS 258 Ca 0.73 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.28 2pyz s LYS 258 Cb -0.38 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 2pyz s LYS 258 CO 0.31 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.55 2pyz n GLY 259 N 3.09 0.47 0.17 -3.33 0.00 -0.49 -4.91 105.19 100.19 2pyz n GLY 259 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.90 2pyz n GLY 259 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pyz h ASP 260 N 0.00 0.00 -3.55 1.61 3.32 -1.81 -3.47 116.42 112.52 2pyz h ASP 260 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2pyz h ASP 260 Cb 0.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2pyz h ASP 260 CO 0.00 0.36 0.10 -0.76 -1.72 0.00 0.00 179.24 177.23 2pyz s LEU 261 N -6.55 4.36 0.27 1.55 1.43 -1.26 -4.88 118.68 113.60 2pyz s LEU 261 Ca 0.03 1.42 0.07 0.00 -1.03 0.00 0.00 54.13 54.62 2pyz s LEU 261 Cb 0.08 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2pyz s LEU 261 CO 0.70 0.05 0.22 -0.44 0.23 0.00 0.00 176.35 177.12 2pyz s SER 262 N -1.60 5.46 -1.17 2.29 0.01 0.10 -4.66 113.70 114.14 2pyz s SER 262 Ca 0.42 -0.31 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 2pyz s SER 262 Cb -0.17 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2pyz s SER 262 CO 0.21 -0.11 0.32 0.59 0.41 0.00 0.00 173.24 174.66 2pyz n ASN 263 N -1.22 -4.78 -4.58 2.44 3.02 -1.26 -1.31 115.26 107.57 2pyz n ASN 263 Ca -0.06 -0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 53.94 2pyz n ASN 263 Cb 0.58 -3.72 -0.09 0.00 -0.61 0.00 0.00 39.78 35.94 2pyz n ASN 263 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pyz s ILE 264 N -2.93 5.20 0.53 2.41 -1.09 -1.26 -4.60 121.20 119.45 2pyz s ILE 264 Ca 0.16 0.33 -0.21 0.00 -2.23 0.00 0.00 60.65 58.69 2pyz s ILE 264 Cb -0.07 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 2pyz s ILE 264 CO 0.20 0.09 1.25 -2.84 -1.23 0.00 0.00 174.94 172.41 2pyz s PRO 265 N 2.00 3.31 0.25 2.79 0.02 -1.26 -4.93 135.00 137.17 2pyz s PRO 265 Ca 0.12 1.98 -0.31 0.00 0.02 0.00 0.00 61.00 62.81 2pyz s PRO 265 Cb -0.16 -2.23 -0.14 0.00 0.02 0.00 0.00 34.50 32.00 2pyz s PRO 265 CO 0.11 -0.98 1.33 0.34 -0.33 0.00 0.00 177.00 177.46 2pyz n PHE 266 N -0.99 1.99 0.00 6.54 -0.00 -1.26 -1.79 117.46 121.95 2pyz n PHE 266 Ca 0.10 0.50 0.00 0.00 -0.00 0.00 0.00 57.45 58.06 2pyz n PHE 266 Cb 0.47 -2.41 0.00 0.00 -0.00 0.00 0.00 39.48 37.54 2pyz n PHE 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2pyz n GLY 267 N 1.87 1.44 3.78 7.13 0.00 -1.26 -5.01 105.19 113.16 2pyz n GLY 267 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2pyz n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pyz s THR 268 N -2.41 4.99 0.39 2.61 2.01 -0.74 -3.79 115.64 118.70 2pyz s THR 268 Ca 0.00 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.74 2pyz s THR 268 Cb 0.00 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 2pyz s THR 268 CO 0.00 0.60 1.45 0.68 -0.69 0.00 0.00 174.62 176.66 2pyz s VAL 269 N -0.85 2.15 -1.00 3.82 -7.23 -1.26 -4.84 120.40 111.18 2pyz s VAL 269 Ca 0.13 0.15 -0.04 0.00 -1.81 0.00 0.00 61.98 60.41 2pyz s VAL 269 Cb -0.12 -3.09 0.27 0.00 0.56 0.00 0.00 36.38 34.00 2pyz s VAL 269 CO 0.03 0.03 1.08 -3.20 -0.31 0.00 0.00 175.10 172.74 2pyz n ASN 270 N 0.37 5.22 -3.77 4.85 4.05 -1.26 -4.94 115.26 119.78 2pyz n ASN 270 Ca 0.02 -3.20 -0.16 0.00 0.45 0.00 0.00 54.58 51.69 2pyz n ASN 270 Cb 0.40 -1.19 -0.16 0.00 1.23 0.00 0.00 39.78 40.05 2pyz n ASN 270 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2pyz s LEU 271 N -1.81 0.97 -0.12 1.20 1.43 -1.26 -1.40 118.68 117.69 2pyz s LEU 271 Ca 0.31 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2pyz s LEU 271 Cb -0.03 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.08 2pyz s LEU 271 CO -0.04 -0.14 -0.20 -0.22 0.23 0.00 0.00 176.35 175.98 2pyz s LEU 272 N 1.21 1.97 0.21 1.79 2.96 -0.30 -0.98 118.68 125.53 2pyz s LEU 272 Ca -0.07 -0.53 -0.32 0.00 -0.22 0.00 0.00 54.13 52.99 2pyz s LEU 272 Cb -0.13 -1.30 -0.14 0.00 0.50 0.00 0.00 46.19 45.11 2pyz s LEU 272 CO -0.03 0.08 1.33 0.00 -1.32 0.00 0.00 176.35 176.41 2pyz n ALA 273 N 3.98 0.44 -3.57 5.97 0.00 -0.48 -1.17 120.51 125.68 2pyz n ALA 273 Ca -0.20 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.56 2pyz n ALA 273 Cb 0.52 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.66 2pyz n ALA 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2pyz s TYR 274 N -0.03 -0.48 -1.34 0.00 5.04 -1.26 -4.48 117.35 114.81 2pyz s TYR 274 Ca 0.71 1.07 0.27 0.00 -2.44 0.00 0.00 57.07 56.68 2pyz s TYR 274 Cb -0.73 0.18 0.88 0.00 0.35 0.00 0.00 41.96 42.64 2pyz s TYR 274 CO 0.50 -0.27 1.66 0.27 -1.34 0.00 0.00 175.55 176.36 2pyz n ASN 275 N 3.84 0.52 -3.05 4.32 6.94 0.92 -4.72 115.26 124.03 2pyz n ASN 275 Ca -0.21 -0.35 -0.21 0.00 -0.02 0.00 0.00 54.58 53.80 2pyz n ASN 275 Cb 0.55 0.01 0.01 0.00 -2.36 0.00 0.00 39.78 37.99 2pyz n ASN 275 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2pyz n ASN 276 N -1.17 -4.55 -4.73 0.53 4.13 -1.26 -4.90 115.26 103.30 2pyz n ASN 276 Ca 0.10 -0.23 -0.41 0.00 1.68 0.00 0.00 54.58 55.71 2pyz n ASN 276 Cb 0.32 -3.75 -0.03 0.00 -1.54 0.00 0.00 39.78 34.78 2pyz n ASN 276 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2pyz s TYR 277 N -2.95 3.46 -0.13 3.10 6.14 -1.26 -5.00 117.35 120.71 2pyz s TYR 277 Ca 0.28 1.42 -0.01 0.00 0.64 0.00 0.00 57.07 59.40 2pyz s TYR 277 Cb -0.14 -3.40 0.03 0.00 0.42 0.00 0.00 41.96 38.87 2pyz s TYR 277 CO 0.34 -1.13 -0.04 -0.65 0.64 0.00 0.00 175.55 174.71 2pyz s GLN 278 N 0.11 1.23 0.00 4.97 -1.52 -1.26 -5.07 119.66 118.12 2pyz s GLN 278 Ca 0.54 -0.27 0.23 0.00 -1.95 0.00 0.00 55.36 53.91 2pyz s GLN 278 Cb -0.31 -1.63 1.39 0.00 -0.22 0.00 0.00 33.01 32.23 2pyz s GLN 278 CO 0.34 -0.36 1.76 0.00 -0.25 0.00 0.00 175.29 176.78