#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwa s ALA 2 N 0.00 -0.43 -0.37 0.00 0.00 -1.26 -1.42 121.76 118.28 2pwa s ALA 2 Ca 0.00 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 2pwa s ALA 2 Cb 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.51 2pwa s ALA 2 CO 0.00 -0.27 0.20 -1.14 0.00 0.00 0.00 175.76 174.55 2pwa s GLN 3 N 1.47 2.84 0.51 0.00 0.74 0.17 -4.95 119.66 120.44 2pwa s GLN 3 Ca -0.07 -1.07 -0.17 0.00 0.05 0.00 0.00 55.36 54.10 2pwa s GLN 3 Cb -0.11 -3.72 -0.08 0.00 1.10 0.00 0.00 33.01 30.20 2pwa s GLN 3 CO -0.07 -0.69 0.99 0.95 -0.55 0.00 0.00 175.29 175.91 2pwa s THR 4 N 1.55 4.48 -1.43 -0.34 -4.23 -1.26 -0.97 115.64 113.44 2pwa s THR 4 Ca 0.02 1.21 -0.09 0.00 -1.18 0.00 0.00 61.69 61.65 2pwa s THR 4 Cb -0.19 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 70.00 2pwa s THR 4 CO 0.07 -0.66 0.94 0.59 -0.54 0.00 0.00 174.62 175.02 2pwa n ASN 5 N -1.56 -3.97 -4.84 3.99 5.03 -1.01 -4.93 115.26 107.96 2pwa n ASN 5 Ca 0.07 -0.75 -0.31 0.00 0.87 0.00 0.00 54.58 54.46 2pwa n ASN 5 Cb 0.54 -4.17 0.04 0.00 -1.02 0.00 0.00 39.78 35.18 2pwa n ASN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pwa s ALA 6 N -3.40 2.78 0.46 5.41 0.00 0.12 -4.99 121.76 122.14 2pwa s ALA 6 Ca 0.45 -0.10 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 2pwa s ALA 6 Cb -0.22 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2pwa s ALA 6 CO 0.81 -1.12 0.96 -2.30 0.00 0.00 0.00 175.76 174.11 2pwa n PRO 7 N -3.04 1.21 -0.30 0.00 -0.02 -1.26 -4.74 135.00 126.85 2pwa n PRO 7 Ca 0.07 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 2pwa n PRO 7 Cb 0.55 -2.04 0.28 0.00 -0.02 0.00 0.00 33.50 32.27 2pwa n PRO 7 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2pwa h TRP 8 N 1.25 0.99 -0.44 6.00 5.08 -1.90 -1.41 115.95 125.53 2pwa h TRP 8 Ca -0.45 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.47 2pwa h TRP 8 Cb 1.35 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 27.17 2pwa h TRP 8 CO 0.41 0.46 -0.01 0.78 -1.28 0.00 0.00 178.44 178.80 2pwa h GLY 9 N 0.92 0.78 0.85 11.11 0.00 -1.91 0.15 103.07 114.97 2pwa h GLY 9 Ca 0.42 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2pwa h GLY 9 CO -0.18 0.48 -0.03 1.41 0.00 0.00 0.00 176.54 178.22 2pwa h LEU 10 N 0.68 0.47 -1.00 3.11 3.38 -1.62 -1.77 115.31 118.56 2pwa h LEU 10 Ca 0.13 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.83 2pwa h LEU 10 Cb 0.44 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 2pwa h LEU 10 CO 0.02 0.69 0.64 0.00 0.09 0.00 0.00 178.44 179.88 2pwa h ALA 11 N 0.79 1.38 -0.71 1.53 0.00 -1.14 -2.74 119.26 118.38 2pwa h ALA 11 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2pwa h ALA 11 Cb 0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2pwa h ALA 11 CO 0.02 0.44 0.19 -0.09 0.00 0.00 0.00 179.25 179.81 2pwa h ARG 12 N 1.17 1.11 0.00 0.00 9.65 -0.36 -2.09 114.38 123.87 2pwa h ARG 12 Ca 0.43 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 2pwa h ARG 12 Cb 0.16 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2pwa h ARG 12 CO -0.17 0.97 0.00 0.44 2.80 0.00 0.00 179.97 184.01 2pwa n ILE 13 N -4.24 0.34 -1.16 1.20 -5.35 -0.70 -2.44 119.36 107.00 2pwa n ILE 13 Ca 0.05 0.08 0.05 0.00 -0.27 0.00 0.00 62.75 62.67 2pwa n ILE 13 Cb 0.25 -0.71 0.22 0.00 -1.74 0.00 0.00 39.64 37.66 2pwa n ILE 13 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2pwa n SER 14 N -1.33 3.17 -4.05 7.28 3.41 -0.80 -0.37 113.62 120.92 2pwa n SER 14 Ca 0.09 -3.28 -0.12 0.00 -0.26 0.00 0.00 58.87 55.30 2pwa n SER 14 Cb 0.20 -0.56 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 2pwa n SER 14 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2pwa s SER 15 N -2.29 0.76 0.00 4.04 0.15 -1.02 -4.74 113.70 110.59 2pwa s SER 15 Ca 0.41 -0.57 0.29 0.00 0.70 0.00 0.00 55.95 56.78 2pwa s SER 15 Cb 0.35 0.05 1.23 0.00 -1.71 0.00 0.00 66.02 65.95 2pwa s SER 15 CO 0.05 -0.24 1.92 0.35 1.20 0.00 0.00 173.24 176.52 2pwa n THR 16 N 1.39 0.04 -4.16 6.45 -2.24 -1.26 -4.88 114.28 109.62 2pwa n THR 16 Ca -0.22 0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.39 2pwa n THR 16 Cb 0.55 -0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.14 2pwa n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pwa s SER 17 N -2.98 1.60 0.82 3.42 1.04 -1.26 -5.05 113.70 111.29 2pwa s SER 17 Ca 0.14 -0.63 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 2pwa s SER 17 Cb 0.19 -0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.35 2pwa s SER 17 CO 0.52 -0.10 1.09 -2.16 0.98 0.00 0.00 173.24 173.57 2pwa s PRO 18 N -1.80 1.89 0.00 4.02 0.04 -1.26 -4.36 135.00 133.53 2pwa s PRO 18 Ca -0.02 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2pwa s PRO 18 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2pwa s PRO 18 CO 0.02 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2pwa n GLY 19 N -1.63 0.60 3.94 0.56 0.00 -1.26 -5.07 105.19 102.34 2pwa n GLY 19 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2pwa n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pwa s THR 20 N -2.40 2.32 0.00 2.61 -4.23 -1.26 -5.03 115.64 107.64 2pwa s THR 20 Ca 0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 2pwa s THR 20 Cb 0.00 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.89 2pwa s THR 20 CO 0.00 0.00 0.17 -1.54 -0.54 0.00 0.00 174.62 172.71 2pwa n SER 21 N -2.85 0.35 -4.39 3.99 3.41 -1.26 -4.76 113.62 108.10 2pwa n SER 21 Ca 0.09 -0.70 -0.33 0.00 -0.26 0.00 0.00 58.87 57.67 2pwa n SER 21 Cb 0.60 0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.67 2pwa n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2pwa s THR 22 N -0.26 3.21 -0.36 6.66 2.01 -1.26 -0.70 115.64 124.94 2pwa s THR 22 Ca 0.00 -0.60 -0.18 0.00 0.31 0.00 0.00 61.69 61.21 2pwa s THR 22 Cb 0.00 -2.36 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 2pwa s THR 22 CO 0.00 0.52 0.53 -0.47 -0.69 0.00 0.00 174.62 174.51 2pwa s TYR 23 N 0.36 3.17 -0.22 4.92 5.04 -0.14 -4.49 117.35 125.99 2pwa s TYR 23 Ca -0.10 0.16 -0.09 0.00 -2.44 0.00 0.00 57.07 54.60 2pwa s TYR 23 Cb -0.16 -2.96 -0.05 0.00 0.35 0.00 0.00 41.96 39.15 2pwa s TYR 23 CO 0.05 -0.57 0.12 0.71 -1.34 0.00 0.00 175.55 174.53 2pwa s TYR 24 N 2.43 3.31 -0.00 4.97 2.02 -1.26 -0.66 117.35 128.17 2pwa s TYR 24 Ca 0.19 0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 2pwa s TYR 24 Cb -0.15 -2.20 0.07 0.00 -0.40 0.00 0.00 41.96 39.28 2pwa s TYR 24 CO 0.14 0.12 0.65 1.52 -1.57 0.00 0.00 175.55 176.41 2pwa s TYR 25 N 0.75 -0.62 0.28 2.71 1.13 -0.51 -4.73 117.35 116.36 2pwa s TYR 25 Ca 0.07 0.92 -0.29 0.00 -1.41 0.00 0.00 57.07 56.36 2pwa s TYR 25 Cb -0.13 0.44 -0.10 0.00 -1.10 0.00 0.00 41.96 41.07 2pwa s TYR 25 CO 0.02 -0.66 1.35 0.34 -2.51 0.00 0.00 175.55 174.09 2pwa s ASP 26 N -1.56 6.75 0.38 -0.18 -1.08 -1.26 -0.40 116.67 119.32 2pwa s ASP 26 Ca -0.08 2.63 0.27 0.00 -0.52 0.00 0.00 52.55 54.85 2pwa s ASP 26 Cb -0.00 -2.63 1.33 0.00 -1.46 0.00 0.00 42.92 40.16 2pwa s ASP 26 CO 0.05 -0.59 1.82 1.05 0.52 0.00 0.00 175.17 178.01 2pwa h GLU 27 N 4.28 0.00 -0.43 4.34 4.11 -2.01 -1.53 114.58 123.34 2pwa h GLU 27 Ca -0.47 0.00 0.04 0.00 0.07 0.00 0.00 59.36 58.99 2pwa h GLU 27 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2pwa h GLU 27 CO 0.72 0.00 0.29 0.66 0.07 0.00 0.00 179.01 180.74 2pwa h SER 28 N 0.00 0.38 -5.14 3.06 4.64 -1.99 -3.46 113.55 111.05 2pwa h SER 28 Ca 0.00 -0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.91 2pwa h SER 28 Cb 0.16 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2pwa h SER 28 CO 0.00 0.26 -0.61 0.00 -0.87 0.00 0.00 176.83 175.61 2pwa n ALA 29 N -2.50 -1.07 -1.01 5.18 0.00 -0.58 -0.89 120.51 119.65 2pwa n ALA 29 Ca 0.05 0.21 -0.00 0.00 0.00 0.00 0.00 53.44 53.69 2pwa n ALA 29 Cb 0.17 -3.65 -0.00 0.00 0.00 0.00 0.00 19.45 15.96 2pwa n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwa n GLY 30 N -1.44 0.42 3.73 0.00 0.00 -1.26 -0.39 105.19 106.25 2pwa n GLY 30 Ca -0.05 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2pwa n GLY 30 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pwa n GLN 31 N -2.19 2.48 -0.19 1.61 7.27 -0.07 -1.81 117.38 124.47 2pwa n GLN 31 Ca -0.00 0.88 0.00 0.00 0.07 0.00 0.00 57.00 57.94 2pwa n GLN 31 Cb 0.11 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.17 2pwa n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pwa n GLY 32 N 1.50 1.47 3.97 1.69 0.00 -1.26 -4.80 105.19 107.77 2pwa n GLY 32 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2pwa n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pwa s SER 33 N -3.13 5.61 -0.01 1.61 1.04 -0.75 -0.93 113.70 117.13 2pwa s SER 33 Ca 0.00 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.48 2pwa s SER 33 Cb 0.00 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.98 2pwa s SER 33 CO 0.00 -0.85 -0.05 0.00 0.98 0.00 0.00 173.24 173.32 2pwa s VAL 35 N 0.10 1.40 -0.14 0.00 1.01 0.42 -0.79 120.40 122.40 2pwa s VAL 35 Ca -0.01 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 2pwa s VAL 35 Cb -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2pwa s VAL 35 CO -0.00 0.43 0.74 -0.31 0.00 0.00 0.00 175.10 175.96 2pwa s TYR 36 N 1.53 3.46 -0.38 5.22 1.51 0.27 -0.97 117.35 127.99 2pwa s TYR 36 Ca 0.04 1.18 -0.09 0.00 -1.01 0.00 0.00 57.07 57.19 2pwa s TYR 36 Cb -0.13 -2.89 0.05 0.00 -0.11 0.00 0.00 41.96 38.88 2pwa s TYR 36 CO -0.10 -0.11 0.20 0.08 -1.11 0.00 0.00 175.55 174.51 2pwa s VAL 37 N 1.64 4.25 -0.50 0.71 1.01 0.22 -0.60 120.40 127.13 2pwa s VAL 37 Ca 0.36 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 2pwa s VAL 37 Cb -0.17 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.83 2pwa s VAL 37 CO 0.14 -0.33 0.45 -0.63 0.00 0.00 0.00 175.10 174.73 2pwa s ILE 38 N 1.47 5.19 0.00 2.22 1.01 -0.75 -1.80 121.20 128.53 2pwa s ILE 38 Ca 0.01 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.50 2pwa s ILE 38 Cb -0.21 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.05 2pwa s ILE 38 CO 0.04 -0.70 0.00 -0.67 0.00 0.00 0.00 174.94 173.61 2pwa n ASP 39 N 5.31 0.66 -0.21 3.58 2.03 -0.25 -4.26 116.55 123.42 2pwa n ASP 39 Ca -0.12 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.27 2pwa n ASP 39 Cb 0.43 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 41.23 2pwa n ASP 39 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pwa n THR 40 N 0.00 0.09 0.00 5.18 -2.24 -1.26 -1.06 114.28 114.99 2pwa n THR 40 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2pwa n THR 40 Cb 0.00 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2pwa n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwa n GLY 41 N 0.87 -1.51 2.78 3.38 0.00 -1.26 -4.04 105.19 105.42 2pwa n GLY 41 Ca 0.13 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 2pwa n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwa s ILE 42 N -0.72 -0.06 -1.14 -0.61 1.01 -1.26 -2.80 121.20 115.63 2pwa s ILE 42 Ca 0.00 0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.66 2pwa s ILE 42 Cb 0.00 -0.09 0.03 0.00 0.01 0.00 0.00 42.46 42.41 2pwa s ILE 42 CO 0.00 0.09 1.67 -0.70 0.00 0.00 0.00 174.94 176.00 2pwa s GLU 43 N 1.09 3.53 0.55 2.79 2.12 -1.26 -4.60 118.70 122.92 2pwa s GLU 43 Ca -0.09 -1.39 0.28 0.00 0.36 0.00 0.00 54.97 54.13 2pwa s GLU 43 Cb -0.13 -5.39 1.61 0.00 0.26 0.00 0.00 34.13 30.49 2pwa s GLU 43 CO -0.03 -2.53 2.16 0.00 -0.54 0.00 0.00 175.26 174.31 2pwa h ALA 44 N 9.06 1.41 0.00 6.30 0.00 -1.97 -1.46 119.26 132.60 2pwa h ALA 44 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2pwa h ALA 44 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2pwa h ALA 44 CO 1.40 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 179.60 2pwa n SER 45 N -3.76 0.00 -4.72 0.00 3.41 -1.26 -4.66 113.62 102.63 2pwa n SER 45 Ca -0.02 0.26 -0.43 0.00 -0.26 0.00 0.00 58.87 58.42 2pwa n SER 45 Cb 0.16 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 2pwa n SER 45 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2pwa n HIS 46 N -1.39 2.70 -0.03 7.33 -0.00 -0.55 -4.84 115.22 118.43 2pwa n HIS 46 Ca 0.06 0.13 0.18 0.00 0.46 0.00 0.00 57.72 58.55 2pwa n HIS 46 Cb 0.17 -2.63 0.63 0.00 -0.12 0.00 0.00 29.99 28.03 2pwa n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2pwa h PRO 47 N 6.14 0.13 0.00 1.57 0.11 -1.91 -1.05 132.00 137.00 2pwa h PRO 47 Ca -0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pwa h PRO 47 Cb 1.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2pwa h PRO 47 CO 0.91 0.09 -0.00 0.93 -0.21 0.00 0.00 178.00 179.71 2pwa h GLU 48 N 0.13 0.00 0.00 1.05 4.39 -1.95 -2.08 114.58 116.13 2pwa h GLU 48 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2pwa h GLU 48 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2pwa h GLU 48 CO -0.03 0.00 -0.73 0.74 -1.16 0.00 0.00 179.01 177.83 2pwa h PHE 49 N 0.00 0.00 -3.14 4.33 0.04 -1.49 -0.95 116.94 115.73 2pwa h PHE 49 Ca -0.00 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.36 2pwa h PHE 49 Cb 0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2pwa h PHE 49 CO 0.00 0.00 -0.53 0.39 -0.60 0.00 0.00 178.31 177.57 2pwa n GLU 50 N -2.28 -1.92 -0.99 1.51 1.02 -0.78 -0.60 120.64 116.60 2pwa n GLU 50 Ca 0.02 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 2pwa n GLU 50 Cb 0.47 -5.67 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 2pwa n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pwa n GLY 51 N -1.04 0.88 0.37 0.62 0.00 -1.26 -4.90 105.19 99.86 2pwa n GLY 51 Ca -0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.93 2pwa n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwa n ARG 52 N -2.18 1.44 -4.39 1.61 1.74 0.23 -4.85 116.66 110.26 2pwa n ARG 52 Ca 0.00 -0.75 -0.32 0.00 -0.77 0.00 0.00 57.85 56.02 2pwa n ARG 52 Cb 0.00 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 29.86 2pwa n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pwa s ALA 53 N -2.07 3.05 -0.05 7.54 0.00 -1.26 -0.71 121.76 128.25 2pwa s ALA 53 Ca 0.38 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 2pwa s ALA 53 Cb 0.21 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 22.25 2pwa s ALA 53 CO 0.37 0.63 0.38 1.14 0.00 0.00 0.00 175.76 178.27 2pwa s GLN 54 N -1.61 0.67 0.17 0.00 -2.07 -0.51 -4.81 119.66 111.50 2pwa s GLN 54 Ca 0.19 0.06 -0.30 0.00 -1.82 0.00 0.00 55.36 53.48 2pwa s GLN 54 Cb -0.11 0.30 -0.07 0.00 -1.09 0.00 0.00 33.01 32.04 2pwa s GLN 54 CO 0.09 -0.17 1.07 -1.64 -1.32 0.00 0.00 175.29 173.33 2pwa s MET 55 N -0.92 4.62 -0.00 9.60 -1.94 -1.26 -0.61 119.30 128.80 2pwa s MET 55 Ca -0.10 1.67 0.01 0.00 -1.71 0.00 0.00 55.69 55.56 2pwa s MET 55 Cb -0.04 -3.29 -0.02 0.00 2.01 0.00 0.00 34.83 33.49 2pwa s MET 55 CO 0.04 0.12 0.04 1.33 -0.01 0.00 0.00 175.02 176.53 2pwa n VAL 56 N 2.38 0.00 -3.63 -6.03 0.24 -0.21 -4.83 118.33 106.25 2pwa n VAL 56 Ca 0.02 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 2pwa n VAL 56 Cb 0.47 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 2pwa n VAL 56 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2pwa s LYS 57 N -1.71 0.71 0.03 7.34 2.47 -1.13 -5.04 119.74 122.41 2pwa s LYS 57 Ca -0.00 0.89 0.03 0.00 -1.56 0.00 0.00 55.97 55.33 2pwa s LYS 57 Cb 0.01 0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 36.69 2pwa s LYS 57 CO 0.05 -0.09 -0.09 -0.08 0.16 0.00 0.00 175.35 175.30 2pwa s THR 58 N 0.49 0.68 -1.60 3.43 -1.32 -1.26 -0.81 115.64 115.25 2pwa s THR 58 Ca -0.00 -0.77 0.19 0.00 -1.21 0.00 0.00 61.69 59.89 2pwa s THR 58 Cb -0.05 -0.65 0.57 0.00 -1.51 0.00 0.00 72.50 70.86 2pwa s THR 58 CO -0.04 -0.09 1.48 -1.22 -2.21 0.00 0.00 174.62 172.54 2pwa n TYR 59 N 2.09 0.91 -4.50 9.09 4.02 -0.56 -4.95 117.16 123.27 2pwa n TYR 59 Ca -0.18 -0.52 -0.23 0.00 -0.01 0.00 0.00 57.90 56.96 2pwa n TYR 59 Cb 0.56 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.79 2pwa n TYR 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pwa n TYR 60 N 1.29 0.51 -0.06 -0.72 4.01 -1.26 -5.04 117.16 115.89 2pwa n TYR 60 Ca 0.21 -2.04 0.02 0.00 -0.16 0.00 0.00 57.90 55.93 2pwa n TYR 60 Cb 0.61 -0.13 0.35 0.00 -0.31 0.00 0.00 39.34 39.86 2pwa n TYR 60 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2pwa h TYR 61 N 1.38 0.63 -2.97 -0.72 0.05 -2.00 -3.42 116.97 109.92 2pwa h TYR 61 Ca -0.29 -0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.03 2pwa h TYR 61 Cb 0.99 -0.21 -0.15 0.00 1.01 0.00 0.00 36.73 38.37 2pwa h TYR 61 CO 0.00 0.44 -0.74 0.45 -1.05 0.00 0.00 178.16 177.26 2pwa s SER 62 N -6.61 2.57 0.00 3.88 0.15 -1.26 -5.03 113.70 107.39 2pwa s SER 62 Ca -0.09 -0.98 0.28 0.00 0.70 0.00 0.00 55.95 55.86 2pwa s SER 62 Cb 0.17 -0.14 1.10 0.00 -1.71 0.00 0.00 66.02 65.44 2pwa s SER 62 CO 0.75 -0.15 1.77 -1.54 1.20 0.00 0.00 173.24 175.28 2pwa n SER 63 N -0.23 0.96 -4.76 5.45 3.41 -1.26 -4.82 113.62 112.37 2pwa n SER 63 Ca -0.09 -1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 57.06 2pwa n SER 63 Cb 0.60 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 2pwa n SER 63 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2pwa s ARG 64 N -2.26 4.27 -0.70 4.33 3.52 -1.26 -4.57 118.95 122.28 2pwa s ARG 64 Ca 0.33 2.31 -0.27 0.00 -0.13 0.00 0.00 55.73 57.97 2pwa s ARG 64 Cb 0.20 -3.08 0.02 0.00 -1.56 0.00 0.00 34.95 30.54 2pwa s ARG 64 CO 0.43 -0.36 1.33 0.34 -0.81 0.00 0.00 175.30 176.22 2pwa s ASP 65 N 0.01 6.11 0.00 -2.12 2.15 -1.26 -4.83 116.67 116.74 2pwa s ASP 65 Ca 0.55 -0.28 0.17 0.00 0.43 0.00 0.00 52.55 53.42 2pwa s ASP 65 Cb -0.42 -2.56 0.48 0.00 -0.30 0.00 0.00 42.92 40.13 2pwa s ASP 65 CO 0.49 -1.84 1.40 0.61 -0.17 0.00 0.00 175.17 175.66 2pwa n GLY 66 N 5.37 1.22 0.59 2.66 0.00 -1.26 -4.44 105.19 109.32 2pwa n GLY 66 Ca 0.06 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2pwa n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pwa n ASN 67 N 0.92 1.31 0.00 1.61 2.85 -1.26 -4.88 115.26 115.81 2pwa n ASN 67 Ca 0.17 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 2pwa n ASN 67 Cb 0.42 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.96 2pwa n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pwa n GLY 68 N 2.39 0.97 0.14 8.20 0.00 -1.26 -4.86 105.19 110.76 2pwa n GLY 68 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 2pwa n GLY 68 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2pwa h HIS 69 N 0.00 0.17 -0.41 1.61 6.17 -1.94 0.16 115.15 120.92 2pwa h HIS 69 Ca 0.00 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.00 2pwa h HIS 69 Cb 0.00 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 29.88 2pwa h HIS 69 CO 0.00 0.07 -0.14 0.78 0.71 0.00 0.00 177.93 179.35 2pwa h GLY 70 N 0.23 0.81 1.05 5.26 0.00 -1.89 -0.81 103.07 107.71 2pwa h GLY 70 Ca 0.13 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2pwa h GLY 70 CO -0.14 0.57 0.33 -0.84 0.00 0.00 0.00 176.54 176.46 2pwa h THR 71 N 0.67 1.26 -0.03 4.70 2.02 -1.22 0.37 112.91 120.68 2pwa h THR 71 Ca 0.11 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2pwa h THR 71 Cb 0.62 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2pwa h THR 71 CO 0.04 0.34 0.01 -0.74 0.37 0.00 0.00 175.52 175.54 2pwa h HIS 72 N 1.17 0.05 -0.52 3.16 6.17 -0.47 -0.37 115.15 124.33 2pwa h HIS 72 Ca 0.27 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.34 2pwa h HIS 72 Cb 0.21 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.10 2pwa h HIS 72 CO 0.02 0.21 0.30 0.00 0.71 0.00 0.00 177.93 179.17 2pwa h ALA 74 N 1.14 1.50 -0.53 0.00 0.00 -0.83 -1.53 119.26 119.01 2pwa h ALA 74 Ca 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2pwa h ALA 74 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2pwa h ALA 74 CO -0.03 0.46 0.12 0.78 0.00 0.00 0.00 179.25 180.58 2pwa h GLY 75 N 0.93 0.86 1.86 0.00 0.00 -0.24 -0.55 103.07 105.94 2pwa h GLY 75 Ca 0.25 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 2pwa h GLY 75 CO -0.05 0.46 -0.56 -0.84 0.00 0.00 0.00 176.54 175.55 2pwa h THR 76 N 0.78 1.38 0.19 4.70 2.02 -0.49 -1.10 112.91 120.39 2pwa h THR 76 Ca 0.17 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.44 2pwa h THR 76 Cb 0.29 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2pwa h THR 76 CO -0.00 0.56 -0.09 0.58 0.37 0.00 0.00 175.52 176.93 2pwa h VAL 77 N 0.11 0.88 0.00 3.16 2.07 -0.87 -0.45 116.25 121.15 2pwa h VAL 77 Ca -0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2pwa h VAL 77 Cb 1.03 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2pwa h VAL 77 CO 0.08 0.09 -0.03 0.61 0.02 0.00 0.00 177.57 178.35 2pwa n GLY 78 N -0.68 -0.97 3.78 2.17 0.00 -0.25 -0.77 105.19 108.47 2pwa n GLY 78 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2pwa n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pwa s SER 79 N -0.05 4.62 0.09 1.61 1.04 -0.46 -4.56 113.70 116.00 2pwa s SER 79 Ca 0.00 1.76 -0.32 0.00 0.48 0.00 0.00 55.95 57.87 2pwa s SER 79 Cb 0.00 -2.49 -0.14 0.00 0.10 0.00 0.00 66.02 63.49 2pwa s SER 79 CO 0.00 -1.95 1.60 -0.09 0.98 0.00 0.00 173.24 173.78 2pwa h ARG 80 N -1.07 -0.77 0.03 4.02 2.43 -1.43 -1.26 114.38 116.33 2pwa h ARG 80 Ca -0.44 0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.51 2pwa h ARG 80 Cb 1.23 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 2pwa h ARG 80 CO 0.53 -0.51 -1.50 1.15 -1.51 0.00 0.00 179.97 178.12 2pwa h THR 81 N -0.80 1.13 -0.01 0.20 2.02 -1.92 -3.38 112.91 110.14 2pwa h THR 81 Ca -0.03 -2.89 0.00 0.00 0.77 0.00 0.00 66.41 64.25 2pwa h THR 81 Cb 0.72 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2pwa h THR 81 CO -0.07 0.71 -0.09 -1.22 0.37 0.00 0.00 175.52 175.22 2pwa n TYR 82 N -3.24 0.00 -3.94 3.16 4.01 -1.24 -4.70 117.16 111.20 2pwa n TYR 82 Ca -0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.32 2pwa n TYR 82 Cb 1.02 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.01 2pwa n TYR 82 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2pwa s GLY 83 N -1.32 2.01 0.02 2.72 0.00 -0.48 -4.12 107.32 106.16 2pwa s GLY 83 Ca 0.14 -0.92 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 2pwa s GLY 83 CO 0.23 -0.91 1.25 -2.08 0.00 0.00 0.00 173.10 171.59 2pwa h VAL 84 N 1.96 1.39 -3.31 1.40 2.07 -0.75 -3.40 116.25 115.61 2pwa h VAL 84 Ca -0.46 -1.57 -0.67 0.00 0.82 0.00 0.00 66.70 64.83 2pwa h VAL 84 Cb 1.17 2.12 -0.38 0.00 -1.52 0.00 0.00 31.29 32.68 2pwa h VAL 84 CO 0.73 0.46 -0.39 0.00 0.02 0.00 0.00 177.57 178.38 2pwa s ALA 85 N -3.92 3.81 -1.34 1.67 0.00 0.05 -4.90 121.76 117.13 2pwa s ALA 85 Ca -0.14 -3.62 0.20 0.00 0.00 0.00 0.00 51.96 48.40 2pwa s ALA 85 Cb 0.05 -2.48 0.98 0.00 0.00 0.00 0.00 23.12 21.67 2pwa s ALA 85 CO 0.77 -2.10 1.64 1.63 0.00 0.00 0.00 175.76 177.69 2pwa n LYS 86 N 2.60 0.23 -0.00 0.00 5.02 -1.00 -2.31 118.16 122.69 2pwa n LYS 86 Ca 0.15 0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.56 2pwa n LYS 86 Cb 0.36 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 2pwa n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pwa n LYS 87 N -1.33 2.86 -1.34 1.97 5.02 0.48 -4.64 118.16 121.18 2pwa n LYS 87 Ca 0.09 -1.56 -0.30 0.00 -2.02 0.00 0.00 58.31 54.52 2pwa n LYS 87 Cb 0.18 -1.03 0.12 0.00 -0.02 0.00 0.00 35.03 34.28 2pwa n LYS 87 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2pwa s THR 88 N -1.11 2.82 -0.11 -0.18 -1.32 -0.98 -3.87 115.64 110.89 2pwa s THR 88 Ca 0.02 0.27 -0.15 0.00 -1.21 0.00 0.00 61.69 60.62 2pwa s THR 88 Cb 0.02 -2.85 -0.05 0.00 -1.51 0.00 0.00 72.50 68.11 2pwa s THR 88 CO 0.00 -0.35 0.35 -1.10 -2.21 0.00 0.00 174.62 171.31 2pwa s GLN 89 N -5.02 4.14 -0.13 7.08 -1.52 -0.93 -4.88 119.66 118.40 2pwa s GLN 89 Ca 0.62 0.23 -0.02 0.00 -1.95 0.00 0.00 55.36 54.25 2pwa s GLN 89 Cb -0.17 -3.36 -0.03 0.00 -0.22 0.00 0.00 33.01 29.23 2pwa s GLN 89 CO 0.56 0.36 -0.06 -0.51 -0.25 0.00 0.00 175.29 175.39 2pwa s LEU 90 N 0.04 3.15 -0.13 2.90 1.43 0.11 -0.44 118.68 125.74 2pwa s LEU 90 Ca 0.20 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2pwa s LEU 90 Cb -0.14 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2pwa s LEU 90 CO 0.07 0.23 -0.20 -0.36 0.23 0.00 0.00 176.35 176.32 2pwa s PHE 91 N 0.01 2.48 -0.12 0.29 0.08 -0.15 -1.43 117.98 119.14 2pwa s PHE 91 Ca -0.00 -1.21 -0.13 0.00 0.12 0.00 0.00 56.93 55.71 2pwa s PHE 91 Cb -0.14 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 2pwa s PHE 91 CO 0.03 -0.56 0.29 0.20 -0.10 0.00 0.00 175.22 175.08 2pwa s GLY 92 N 0.80 2.25 -0.24 4.36 0.00 0.22 -0.61 107.32 114.11 2pwa s GLY 92 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2pwa s GLY 92 CO -0.01 0.22 -0.02 0.14 0.00 0.00 0.00 173.10 173.43 2pwa s VAL 93 N -0.12 1.35 -0.77 1.40 1.01 -0.75 -1.05 120.40 121.47 2pwa s VAL 93 Ca 0.18 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 2pwa s VAL 93 Cb -0.14 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.66 2pwa s VAL 93 CO 0.06 -0.18 0.97 -0.75 0.00 0.00 0.00 175.10 175.20 2pwa s LYS 94 N 1.46 3.33 -0.01 2.72 2.20 0.01 -1.09 119.74 128.37 2pwa s LYS 94 Ca -0.03 -1.42 0.20 0.00 -0.36 0.00 0.00 55.97 54.36 2pwa s LYS 94 Cb -0.18 -4.54 -0.24 0.00 -1.51 0.00 0.00 37.83 31.35 2pwa s LYS 94 CO -0.08 -1.71 0.75 1.33 -0.36 0.00 0.00 175.35 175.28 2pwa n VAL 95 N 5.55 0.00 -4.54 4.02 0.24 -0.22 -1.50 118.33 121.89 2pwa n VAL 95 Ca 0.08 -0.14 -0.34 0.00 -2.04 0.00 0.00 64.34 61.90 2pwa n VAL 95 Cb 0.46 0.75 -0.11 0.00 -1.47 0.00 0.00 33.84 33.47 2pwa n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pwa s LEU 96 N -3.33 3.24 1.13 1.34 1.43 -0.58 -4.57 118.68 117.34 2pwa s LEU 96 Ca 0.04 -0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 2pwa s LEU 96 Cb 0.15 -1.75 0.27 0.00 0.03 0.00 0.00 46.19 44.88 2pwa s LEU 96 CO 0.83 0.34 1.20 1.51 0.23 0.00 0.00 176.35 180.46 2pwa s ASP 97 N -1.00 1.58 0.00 2.29 1.47 0.92 -4.31 116.67 117.62 2pwa s ASP 97 Ca 0.14 0.42 0.24 0.00 1.18 0.00 0.00 52.55 54.53 2pwa s ASP 97 Cb -0.11 -0.53 1.29 0.00 -0.34 0.00 0.00 42.92 43.24 2pwa s ASP 97 CO 0.03 -3.70 1.79 0.47 0.68 0.00 0.00 175.17 174.45 2pwa n ASP 98 N -4.44 0.00 -0.91 2.11 8.00 -1.26 -0.66 116.55 119.39 2pwa n ASP 98 Ca 0.15 -0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.42 2pwa n ASP 98 Cb 0.60 -0.17 0.26 0.00 -0.02 0.00 0.00 41.12 41.79 2pwa n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pwa n ASN 99 N -1.17 2.76 0.00 -2.24 3.02 -1.26 -3.99 115.26 112.38 2pwa n ASN 99 Ca 0.14 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 2pwa n ASN 99 Cb 0.14 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2pwa n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwa n GLY 100 N 1.36 0.61 3.78 7.41 0.00 0.17 -5.06 105.19 113.45 2pwa n GLY 100 Ca 0.18 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2pwa n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pwa s SER 101 N -2.02 5.45 0.01 1.61 0.01 -1.26 -4.79 113.70 112.71 2pwa s SER 101 Ca 0.00 -0.12 -0.28 0.00 1.31 0.00 0.00 55.95 56.86 2pwa s SER 101 Cb 0.00 -1.41 0.07 0.00 0.21 0.00 0.00 66.02 64.89 2pwa s SER 101 CO 0.00 0.10 0.65 -0.83 0.41 0.00 0.00 173.24 173.56 2pwa s GLY 102 N -2.90 -0.58 0.37 3.44 0.00 -1.26 -0.06 107.32 106.33 2pwa s GLY 102 Ca 0.30 1.04 -0.24 0.00 0.00 0.00 0.00 44.72 45.82 2pwa s GLY 102 CO 0.23 0.70 0.96 -0.86 0.00 0.00 0.00 173.10 174.12 2pwa s GLN 103 N -1.96 4.41 0.37 2.90 -2.07 -1.26 -4.93 119.66 117.11 2pwa s GLN 103 Ca -0.07 1.29 0.05 0.00 -1.82 0.00 0.00 55.36 54.80 2pwa s GLN 103 Cb -0.00 -2.56 0.73 0.00 -1.09 0.00 0.00 33.01 30.08 2pwa s GLN 103 CO 0.03 0.12 2.00 1.88 -1.32 0.00 0.00 175.29 178.00 2pwa h TYR 104 N 2.66 0.72 -0.83 9.60 0.05 -1.99 -1.37 116.97 125.81 2pwa h TYR 104 Ca -0.48 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.31 2pwa h TYR 104 Cb 1.19 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.65 2pwa h TYR 104 CO 0.61 0.43 0.47 0.66 -1.05 0.00 0.00 178.16 179.28 2pwa h SER 105 N 0.75 1.02 -0.30 3.88 4.64 -1.99 0.65 113.55 122.20 2pwa h SER 105 Ca 0.24 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 2pwa h SER 105 Cb 0.05 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2pwa h SER 105 CO -0.06 0.80 -0.28 0.74 -0.87 0.00 0.00 176.83 177.16 2pwa h THR 106 N 1.15 1.30 -0.55 2.95 2.02 -1.66 -1.42 112.91 116.70 2pwa h THR 106 Ca 0.30 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 66.03 2pwa h THR 106 Cb -0.01 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2pwa h THR 106 CO -0.05 0.46 0.35 0.40 0.37 0.00 0.00 175.52 177.05 2pwa h ILE 107 N 0.47 1.15 -0.28 3.11 2.04 -0.88 -0.53 117.51 122.60 2pwa h ILE 107 Ca 0.05 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.62 2pwa h ILE 107 Cb 0.85 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2pwa h ILE 107 CO 0.07 0.15 0.13 0.40 0.00 0.00 0.00 178.15 178.90 2pwa h ILE 108 N 0.74 0.98 -0.83 -0.67 2.04 -0.85 -1.84 117.51 117.08 2pwa h ILE 108 Ca 0.20 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 66.01 2pwa h ILE 108 Cb -0.05 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 2pwa h ILE 108 CO -0.04 0.05 0.52 0.00 0.00 0.00 0.00 178.15 178.68 2pwa h ALA 109 N 1.15 1.11 -0.49 1.87 0.00 -0.81 -1.09 119.26 120.99 2pwa h ALA 109 Ca 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2pwa h ALA 109 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2pwa h ALA 109 CO -0.09 0.31 0.11 0.78 0.00 0.00 0.00 179.25 180.36 2pwa h GLY 110 N 0.99 0.81 0.92 0.00 0.00 -0.69 0.11 103.07 105.20 2pwa h GLY 110 Ca 0.34 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2pwa h GLY 110 CO -0.14 0.43 0.11 -0.33 0.00 0.00 0.00 176.54 176.62 2pwa h MET 111 N 0.73 0.35 -0.47 4.80 2.07 -0.62 -1.89 114.93 119.90 2pwa h MET 111 Ca 0.16 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.70 2pwa h MET 111 Cb 0.29 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 2pwa h MET 111 CO -0.00 0.36 0.13 -0.44 1.07 0.00 0.00 176.91 178.03 2pwa h ASP 112 N 0.26 0.64 -0.22 1.22 3.32 -0.83 -2.01 116.42 118.79 2pwa h ASP 112 Ca 0.08 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.08 2pwa h ASP 112 Cb 0.13 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2pwa h ASP 112 CO -0.01 0.62 -0.02 0.15 -1.72 0.00 0.00 179.24 178.26 2pwa h PHE 113 N 0.68 -0.06 -0.68 4.55 3.57 -0.54 -2.56 116.94 121.90 2pwa h PHE 113 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2pwa h PHE 113 Cb 0.23 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2pwa h PHE 113 CO 0.01 -0.06 0.44 0.28 -2.23 0.00 0.00 178.31 176.76 2pwa h VAL 114 N 0.04 1.18 -0.80 1.41 2.07 -0.71 0.30 116.25 119.73 2pwa h VAL 114 Ca 0.10 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.37 2pwa h VAL 114 Cb 0.14 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 2pwa h VAL 114 CO -0.20 0.18 0.52 0.00 0.02 0.00 0.00 177.57 178.10 2pwa h ALA 115 N 1.24 1.73 0.03 1.67 0.00 -1.11 -1.95 119.26 120.88 2pwa h ALA 115 Ca 0.25 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2pwa h ALA 115 Cb -0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2pwa h ALA 115 CO -0.05 0.11 -0.43 1.03 0.00 0.00 0.00 179.25 179.90 2pwa h SER 116 N 0.76 0.11 -0.23 0.00 0.87 -1.02 -3.38 113.55 110.66 2pwa h SER 116 Ca 0.37 -0.91 0.04 0.00 -1.23 0.00 0.00 61.79 60.05 2pwa h SER 116 Cb 0.41 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2pwa h SER 116 CO -0.14 1.19 0.16 -0.78 -0.53 0.00 0.00 176.83 176.73 2pwa h ASP 117 N -0.83 0.13 -0.05 6.23 3.58 -0.17 -1.03 116.42 124.28 2pwa h ASP 117 Ca -0.10 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.36 2pwa h ASP 117 Cb 1.22 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 2pwa h ASP 117 CO 0.00 0.09 0.08 0.07 -2.88 0.00 0.00 179.24 176.60 2pwa h LYS 118 N 0.15 0.00 0.00 0.28 2.10 -1.54 0.12 116.57 117.69 2pwa h LYS 118 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2pwa h LYS 118 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2pwa h LYS 118 CO -0.02 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.52 2pwa n ASN 119 N -3.57 0.47 -0.74 7.07 4.13 -0.39 -2.79 115.26 119.43 2pwa n ASN 119 Ca -0.02 0.62 0.13 0.00 1.68 0.00 0.00 54.58 56.99 2pwa n ASN 119 Cb 0.16 -0.72 0.30 0.00 -1.54 0.00 0.00 39.78 37.98 2pwa n ASN 119 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2pwa n ASN 120 N -2.02 2.32 -4.36 6.41 4.13 0.43 -4.97 115.26 117.20 2pwa n ASN 120 Ca 0.02 -1.77 -0.31 0.00 1.68 0.00 0.00 54.58 54.20 2pwa n ASN 120 Cb 0.20 -0.01 -0.15 0.00 -1.54 0.00 0.00 39.78 38.29 2pwa n ASN 120 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2pwa s ARG 121 N -1.98 2.01 -0.54 3.52 1.81 -1.12 -5.09 118.95 117.56 2pwa s ARG 121 Ca 0.33 -0.99 -0.20 0.00 -1.72 0.00 0.00 55.73 53.14 2pwa s ARG 121 Cb 0.20 -2.07 0.06 0.00 -0.45 0.00 0.00 34.95 32.70 2pwa s ARG 121 CO 0.32 0.54 0.73 1.21 -0.68 0.00 0.00 175.30 177.41 2pwa s ASN 122 N -1.02 6.24 -0.46 0.23 2.47 -1.26 -4.94 114.94 116.20 2pwa s ASN 122 Ca 0.12 -0.85 0.08 0.00 0.42 0.00 0.00 52.86 52.62 2pwa s ASN 122 Cb -0.10 -2.33 0.26 0.00 -1.45 0.00 0.00 41.25 37.63 2pwa s ASN 122 CO 0.01 -1.03 0.61 0.00 -3.72 0.00 0.00 177.10 172.98 2pwa h PRO 124 N 3.92 0.00 -0.02 0.00 0.13 -1.79 -0.72 132.00 133.52 2pwa h PRO 124 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2pwa h PRO 124 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2pwa h PRO 124 CO 0.57 0.06 -0.07 1.63 -0.23 0.00 0.00 178.00 179.96 2pwa n LYS 125 N -3.58 1.74 0.00 0.86 4.76 -0.11 -5.01 118.16 116.81 2pwa n LYS 125 Ca -0.02 -1.21 0.00 0.00 -2.87 0.00 0.00 58.31 54.21 2pwa n LYS 125 Cb 0.17 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2pwa n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pwa n GLY 126 N 1.27 1.02 3.09 0.72 0.00 -0.28 -4.36 105.19 106.65 2pwa n GLY 126 Ca 0.16 -2.18 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 2pwa n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pwa s VAL 127 N -1.29 1.17 0.12 1.61 1.01 -1.26 -1.44 120.40 120.31 2pwa s VAL 127 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.47 2pwa s VAL 127 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2pwa s VAL 127 CO 0.00 0.34 -0.20 -0.69 0.00 0.00 0.00 175.10 174.55 2pwa s VAL 128 N -0.03 1.71 -0.04 2.92 1.01 0.03 -1.00 120.40 125.00 2pwa s VAL 128 Ca -0.01 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.36 2pwa s VAL 128 Cb -0.09 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.69 2pwa s VAL 128 CO 0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 175.10 174.88 2pwa s ALA 129 N -1.42 0.96 -0.22 5.51 0.00 0.40 -0.56 121.76 126.43 2pwa s ALA 129 Ca 0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 2pwa s ALA 129 Cb -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2pwa s ALA 129 CO 0.05 0.10 -0.04 0.45 0.00 0.00 0.00 175.76 176.32 2pwa s SER 130 N 0.49 4.33 -0.57 0.00 0.15 0.23 -1.11 113.70 117.22 2pwa s SER 130 Ca -0.09 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.23 2pwa s SER 130 Cb -0.12 -1.74 0.14 0.00 -1.71 0.00 0.00 66.02 62.59 2pwa s SER 130 CO 0.01 -0.01 0.34 -0.76 1.20 0.00 0.00 173.24 174.02 2pwa s LEU 131 N 1.42 4.22 -1.30 3.45 1.02 0.07 -1.82 118.68 125.74 2pwa s LEU 131 Ca 0.05 -3.25 -0.09 0.00 0.02 0.00 0.00 54.13 50.86 2pwa s LEU 131 Cb -0.14 -1.54 0.15 0.00 0.02 0.00 0.00 46.19 44.68 2pwa s LEU 131 CO -0.03 -0.18 1.96 -1.20 0.02 0.00 0.00 176.35 176.92 2pwa n SER 132 N 2.77 5.38 -3.60 2.29 7.64 -1.26 -1.78 113.62 125.07 2pwa n SER 132 Ca 0.11 -3.10 -0.07 0.00 1.01 0.00 0.00 58.87 56.83 2pwa n SER 132 Cb 0.34 -1.47 -0.01 0.00 -1.01 0.00 0.00 64.21 62.06 2pwa n SER 132 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2pwa s LEU 133 N -0.25 -0.17 0.00 -3.43 0.05 -1.26 -4.88 118.68 108.74 2pwa s LEU 133 Ca 0.42 -0.70 0.00 0.00 0.05 0.00 0.00 54.13 53.90 2pwa s LEU 133 Cb 0.11 2.62 0.00 0.00 -2.05 0.00 0.00 46.19 46.87 2pwa s LEU 133 CO -0.01 -1.33 0.00 0.61 -0.55 0.00 0.00 176.35 175.07 2pwa n GLY 134 N -0.49 3.01 0.00 -3.48 0.00 -1.26 -4.49 105.19 98.48 2pwa n GLY 134 Ca -0.05 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2pwa n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwa n GLY 135 N -1.50 5.14 3.65 -0.02 0.00 -0.73 -4.96 105.19 106.77 2pwa n GLY 135 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2pwa n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pwa s GLY 136 N 0.00 1.56 0.27 -0.02 0.00 -1.26 -0.98 107.32 106.89 2pwa s GLY 136 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 44.72 43.88 2pwa s GLY 136 CO 0.00 0.16 1.62 2.98 0.00 0.00 0.00 173.10 177.86 2pwa n TYR 137 N -4.37 2.80 -3.67 1.90 9.36 -0.63 -3.40 117.16 119.16 2pwa n TYR 137 Ca 0.07 0.22 -0.13 0.00 3.32 0.00 0.00 57.90 61.37 2pwa n TYR 137 Cb 0.58 -2.61 -0.13 0.00 -0.63 0.00 0.00 39.34 36.55 2pwa n TYR 137 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2pwa s SER 138 N 0.63 0.31 0.35 2.98 0.15 -1.26 -4.93 113.70 111.93 2pwa s SER 138 Ca 0.67 0.60 0.07 0.00 0.70 0.00 0.00 55.95 57.99 2pwa s SER 138 Cb -0.51 0.69 0.64 0.00 -1.71 0.00 0.00 66.02 65.14 2pwa s SER 138 CO 0.45 -0.24 1.84 0.77 1.20 0.00 0.00 173.24 177.26 2pwa h SER 139 N 8.22 0.29 -0.50 5.45 4.64 -1.99 -1.27 113.55 128.39 2pwa h SER 139 Ca -0.16 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 60.96 2pwa h SER 139 Cb 1.12 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2pwa h SER 139 CO 0.15 0.50 -0.20 0.77 -0.87 0.00 0.00 176.83 177.18 2pwa h SER 140 N 0.27 1.04 -0.46 4.97 4.64 -1.98 0.46 113.55 122.48 2pwa h SER 140 Ca 0.05 -0.39 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 2pwa h SER 140 Cb 0.51 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2pwa h SER 140 CO 0.03 1.19 0.01 0.58 -0.87 0.00 0.00 176.83 177.78 2pwa h VAL 141 N 0.88 1.26 -0.76 0.95 2.07 -1.86 -1.50 116.25 117.29 2pwa h VAL 141 Ca 0.12 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2pwa h VAL 141 Cb 0.78 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2pwa h VAL 141 CO 0.06 0.36 0.35 0.78 0.02 0.00 0.00 177.57 179.14 2pwa h ASN 142 N 0.66 1.00 -0.72 0.57 4.21 -1.08 -1.69 115.58 118.53 2pwa h ASN 142 Ca 0.13 -0.14 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 2pwa h ASN 142 Cb 0.49 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.40 2pwa h ASN 142 CO 0.02 0.86 0.32 -1.28 -1.29 0.00 0.00 177.43 176.06 2pwa h SER 143 N 1.07 0.98 -0.76 5.81 0.87 -0.71 0.41 113.55 121.23 2pwa h SER 143 Ca 0.26 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2pwa h SER 143 Cb 0.14 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 2pwa h SER 143 CO -0.03 0.86 0.37 0.00 -0.53 0.00 0.00 176.83 177.50 2pwa h ALA 144 N 1.29 0.97 -0.60 6.23 0.00 -0.82 0.78 119.26 127.11 2pwa h ALA 144 Ca 0.25 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2pwa h ALA 144 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2pwa h ALA 144 CO -0.03 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 179.74 2pwa h ALA 145 N 1.19 0.84 -0.82 0.00 0.00 -0.73 -1.07 119.26 118.67 2pwa h ALA 145 Ca 0.26 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2pwa h ALA 145 Cb 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2pwa h ALA 145 CO -0.03 0.67 0.40 0.00 0.00 0.00 0.00 179.25 180.29 2pwa h ALA 146 N 1.00 1.06 -0.44 0.00 0.00 -0.53 -1.59 119.26 118.75 2pwa h ALA 146 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2pwa h ALA 146 Cb 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2pwa h ALA 146 CO 0.03 0.61 0.18 0.00 0.00 0.00 0.00 179.25 180.07 2pwa h ARG 147 N 1.16 0.66 -0.55 0.00 3.08 -0.54 0.14 114.38 118.33 2pwa h ARG 147 Ca 0.28 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2pwa h ARG 147 Cb 0.10 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2pwa h ARG 147 CO -0.04 0.60 0.33 1.25 -1.07 0.00 0.00 179.97 181.04 2pwa h LEU 148 N 0.57 0.67 -0.24 3.04 5.85 -0.87 0.01 115.31 124.34 2pwa h LEU 148 Ca 0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2pwa h LEU 148 Cb 0.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2pwa h LEU 148 CO -0.01 0.54 0.15 -0.61 -0.34 0.00 0.00 178.44 178.17 2pwa h GLN 149 N 0.74 0.33 -0.05 1.25 5.75 -1.13 -2.71 115.11 119.29 2pwa h GLN 149 Ca 0.20 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2pwa h GLN 149 Cb -0.00 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 2pwa h GLN 149 CO -0.04 0.24 0.04 1.03 -2.65 0.00 0.00 178.83 177.45 2pwa h SER 150 N 0.31 0.03 0.45 -0.69 0.87 -0.38 -1.31 113.55 112.84 2pwa h SER 150 Ca 0.09 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2pwa h SER 150 Cb -0.01 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2pwa h SER 150 CO -0.02 0.02 0.00 -1.54 -0.53 0.00 0.00 176.83 174.76 2pwa n SER 151 N -4.53 0.00 0.00 6.23 3.41 -0.06 -4.84 113.62 113.83 2pwa n SER 151 Ca -0.02 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2pwa n SER 151 Cb 0.12 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2pwa n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pwa n GLY 152 N -0.05 1.52 3.49 5.00 0.00 -0.50 -5.09 105.19 109.56 2pwa n GLY 152 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2pwa n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pwa s VAL 153 N -2.00 3.46 -0.50 1.61 1.01 -1.18 -4.58 120.40 118.22 2pwa s VAL 153 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2pwa s VAL 153 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2pwa s VAL 153 CO 0.00 0.56 1.35 -0.32 0.00 0.00 0.00 175.10 176.68 2pwa s MET 154 N -0.25 3.48 -0.23 2.72 1.75 -0.17 -4.07 119.30 122.52 2pwa s MET 154 Ca 0.03 0.61 -0.13 0.00 -1.25 0.00 0.00 55.69 54.95 2pwa s MET 154 Cb -0.13 -4.05 -0.04 0.00 2.84 0.00 0.00 34.83 33.45 2pwa s MET 154 CO 0.03 -1.70 0.28 0.08 -0.65 0.00 0.00 175.02 173.05 2pwa s VAL 155 N 5.49 5.27 -0.12 10.11 1.01 -1.26 -0.45 120.40 140.45 2pwa s VAL 155 Ca 0.54 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.95 2pwa s VAL 155 Cb -0.11 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2pwa s VAL 155 CO 0.29 0.28 -0.16 0.00 0.00 0.00 0.00 175.10 175.50 2pwa s ALA 156 N 1.35 2.48 0.08 5.51 0.00 -0.26 -0.88 121.76 130.03 2pwa s ALA 156 Ca 0.13 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2pwa s ALA 156 Cb -0.14 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 2pwa s ALA 156 CO 0.07 0.26 -0.13 0.14 0.00 0.00 0.00 175.76 176.10 2pwa s VAL 157 N 0.35 1.08 0.33 0.00 -7.23 0.25 -0.75 120.40 114.43 2pwa s VAL 157 Ca -0.13 -1.35 -0.28 0.00 -1.81 0.00 0.00 61.98 58.41 2pwa s VAL 157 Cb -0.17 -1.10 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 2pwa s VAL 157 CO 0.07 -0.27 1.13 0.00 -0.31 0.00 0.00 175.10 175.71 2pwa s ALA 158 N -1.43 3.31 0.13 1.32 0.00 -0.73 -0.85 121.76 123.51 2pwa s ALA 158 Ca -0.01 0.92 0.20 0.00 0.00 0.00 0.00 51.96 53.07 2pwa s ALA 158 Cb -0.09 -3.34 0.69 0.00 0.00 0.00 0.00 23.12 20.38 2pwa s ALA 158 CO 0.02 -0.29 1.73 0.00 0.00 0.00 0.00 175.76 177.22 2pwa h ALA 159 N 3.32 0.97 0.00 0.00 0.00 -1.29 -3.37 119.26 118.89 2pwa h ALA 159 Ca -0.48 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2pwa h ALA 159 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pwa h ALA 159 CO 0.65 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.74 2pwa n GLY 160 N 0.30 2.27 1.45 0.00 0.00 -1.26 -4.68 105.19 103.26 2pwa n GLY 160 Ca 0.00 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 2pwa n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pwa n ASN 161 N 0.00 3.52 -0.89 1.61 3.02 -1.26 -0.89 115.26 120.38 2pwa n ASN 161 Ca 0.00 -3.77 0.08 0.00 -0.03 0.00 0.00 54.58 50.87 2pwa n ASN 161 Cb 0.00 -0.42 0.19 0.00 -0.61 0.00 0.00 39.78 38.94 2pwa n ASN 161 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pwa n ASN 162 N -0.86 3.16 -4.03 6.41 3.02 -0.98 -4.76 115.26 117.22 2pwa n ASN 162 Ca 0.33 -1.93 -0.27 0.00 -0.03 0.00 0.00 54.58 52.68 2pwa n ASN 162 Cb 0.86 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 2pwa n ASN 162 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2pwa n ASN 163 N 1.00 -0.59 -3.87 6.41 5.15 -0.40 -4.93 115.26 118.03 2pwa n ASN 163 Ca 0.16 -1.03 -0.13 0.00 -0.60 0.00 0.00 54.58 52.97 2pwa n ASN 163 Cb 0.49 -2.87 -0.07 0.00 -0.53 0.00 0.00 39.78 36.80 2pwa n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pwa s ALA 164 N -3.92 0.82 -0.03 5.20 0.00 -1.26 -4.93 121.76 117.65 2pwa s ALA 164 Ca 0.10 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 2pwa s ALA 164 Cb -0.06 1.28 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 2pwa s ALA 164 CO 0.90 -0.70 1.28 0.34 0.00 0.00 0.00 175.76 177.58 2pwa s ASP 165 N -3.17 6.97 0.00 0.00 -1.08 -1.26 -1.35 116.67 116.79 2pwa s ASP 165 Ca 0.33 1.94 0.07 0.00 -0.52 0.00 0.00 52.55 54.37 2pwa s ASP 165 Cb 0.03 -2.56 0.31 0.00 -1.46 0.00 0.00 42.92 39.24 2pwa s ASP 165 CO 0.15 -0.63 1.20 0.00 0.52 0.00 0.00 175.17 176.40 2pwa n ALA 166 N 5.21 1.36 0.24 3.66 0.00 0.52 -2.52 120.51 128.97 2pwa n ALA 166 Ca 0.12 -0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.71 2pwa n ALA 166 Cb 0.45 -1.11 0.88 0.00 0.00 0.00 0.00 19.45 19.67 2pwa n ALA 166 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2pwa h ARG 167 N 0.00 0.00 -0.64 0.00 0.11 -1.90 -2.01 114.38 109.94 2pwa h ARG 167 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pwa h ARG 167 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2pwa h ARG 167 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 2pwa n ASN 168 N -3.58 4.83 -4.11 0.08 5.03 -1.05 -4.80 115.26 111.67 2pwa n ASN 168 Ca 0.01 -2.64 -0.15 0.00 0.87 0.00 0.00 54.58 52.66 2pwa n ASN 168 Cb 0.30 -0.62 -0.12 0.00 -1.02 0.00 0.00 39.78 38.33 2pwa n ASN 168 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2pwa s TYR 169 N -2.24 0.89 0.02 3.10 2.02 -0.76 -1.61 117.35 118.76 2pwa s TYR 169 Ca 0.47 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 2pwa s TYR 169 Cb 0.34 -0.52 -0.01 0.00 -0.40 0.00 0.00 41.96 41.37 2pwa s TYR 169 CO 0.18 -0.03 -0.07 -1.12 -1.57 0.00 0.00 175.55 172.94 2pwa s SER 170 N -1.65 0.79 0.00 2.29 0.01 -0.16 -0.76 113.70 114.23 2pwa s SER 170 Ca -0.07 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 56.96 2pwa s SER 170 Cb -0.10 -0.04 0.35 0.00 0.21 0.00 0.00 66.02 66.44 2pwa s SER 170 CO 0.01 -0.03 1.19 -0.81 0.41 0.00 0.00 173.24 174.00 2pwa n PRO 171 N 2.33 0.96 -0.32 12.44 -0.04 -1.26 -1.78 135.00 147.33 2pwa n PRO 171 Ca -0.17 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.44 2pwa n PRO 171 Cb 0.57 -1.10 0.33 0.00 -0.04 0.00 0.00 33.50 33.26 2pwa n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pwa h ALA 172 N 3.10 1.57 -0.00 0.55 0.00 -1.72 -1.17 119.26 121.59 2pwa h ALA 172 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pwa h ALA 172 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2pwa h ALA 172 CO 0.00 -0.28 -0.02 -1.13 0.00 0.00 0.00 179.25 177.82 2pwa n SER 173 N -4.96 0.26 -4.65 0.00 3.41 0.06 -4.77 113.62 102.96 2pwa n SER 173 Ca 0.24 -0.82 -0.43 0.00 -0.26 0.00 0.00 58.87 57.60 2pwa n SER 173 Cb 0.67 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 2pwa n SER 173 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2pwa s GLU 174 N -2.19 4.03 0.36 4.33 2.56 -0.45 -4.89 118.70 122.45 2pwa s GLU 174 Ca 0.40 1.86 0.07 0.00 0.00 0.00 0.00 54.97 57.30 2pwa s GLU 174 Cb 0.21 -3.96 0.70 0.00 2.00 0.00 0.00 34.13 33.08 2pwa s GLU 174 CO 0.40 -1.01 1.89 -1.35 -0.56 0.00 0.00 175.26 174.63 2pwa h PRO 175 N 9.79 0.35 0.00 4.30 0.11 -1.89 -3.17 132.00 141.49 2pwa h PRO 175 Ca -0.34 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2pwa h PRO 175 Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2pwa h PRO 175 CO 0.98 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 178.09 2pwa n SER 176 N -4.27 0.00 -3.83 -2.05 3.41 -1.26 -4.79 113.62 100.83 2pwa n SER 176 Ca 0.00 0.09 -0.13 0.00 -0.26 0.00 0.00 58.87 58.57 2pwa n SER 176 Cb 0.27 -0.36 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 2pwa n SER 176 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2pwa n VAL 177 N -1.36 0.00 -3.55 -3.33 0.24 -1.20 -4.98 118.33 104.15 2pwa n VAL 177 Ca 0.11 -1.19 -0.41 0.00 -2.04 0.00 0.00 64.34 60.81 2pwa n VAL 177 Cb 0.26 -0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 31.77 2pwa n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pwa s THR 179 N 1.47 5.20 -0.22 0.00 2.01 -1.26 -0.58 115.64 122.26 2pwa s THR 179 Ca 0.03 0.67 -0.02 0.00 0.31 0.00 0.00 61.69 62.69 2pwa s THR 179 Cb -0.23 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.57 2pwa s THR 179 CO 0.03 0.24 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.43 2pwa s VAL 180 N 1.42 2.90 0.65 3.82 1.01 -0.03 -0.89 120.40 129.27 2pwa s VAL 180 Ca 0.18 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2pwa s VAL 180 Cb -0.15 -2.36 0.06 0.00 0.00 0.00 0.00 36.38 33.93 2pwa s VAL 180 CO 0.08 0.37 0.92 -0.83 0.00 0.00 0.00 175.10 175.64 2pwa s GLY 181 N 1.38 1.75 -0.00 4.51 0.00 -0.10 -0.88 107.32 113.98 2pwa s GLY 181 Ca 0.04 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.65 2pwa s GLY 181 CO -0.06 -0.78 -0.15 0.00 0.00 0.00 0.00 173.10 172.11 2pwa s ALA 182 N -3.06 2.68 0.33 3.20 0.00 -1.26 -0.94 121.76 122.71 2pwa s ALA 182 Ca 0.60 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 51.56 2pwa s ALA 182 Cb -0.10 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 2pwa s ALA 182 CO 0.42 0.57 -0.06 -1.54 0.00 0.00 0.00 175.76 175.15 2pwa s SER 183 N -1.13 3.35 0.53 0.00 1.04 -0.32 -0.52 113.70 116.64 2pwa s SER 183 Ca 0.14 -1.23 0.05 0.00 0.48 0.00 0.00 55.95 55.39 2pwa s SER 183 Cb -0.11 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.76 2pwa s SER 183 CO 0.04 -0.30 0.37 1.51 0.98 0.00 0.00 173.24 175.83 2pwa s ASP 184 N -3.56 4.62 0.06 7.02 1.47 -0.07 -0.51 116.67 125.70 2pwa s ASP 184 Ca 0.32 -1.22 0.17 0.00 1.18 0.00 0.00 52.55 53.00 2pwa s ASP 184 Cb 0.04 0.30 0.72 0.00 -0.34 0.00 0.00 42.92 43.64 2pwa s ASP 184 CO 0.15 -1.03 1.54 -2.11 0.68 0.00 0.00 175.17 174.40 2pwa n ARG 185 N -1.69 0.05 -0.66 2.11 1.85 -1.26 -1.01 116.66 116.05 2pwa n ARG 185 Ca -0.02 0.28 0.08 0.00 -1.00 0.00 0.00 57.85 57.19 2pwa n ARG 185 Cb 0.64 -1.59 0.35 0.00 -1.05 0.00 0.00 32.46 30.81 2pwa n ARG 185 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2pwa n TYR 186 N -1.68 1.55 -2.50 2.89 4.01 -1.26 -4.40 117.16 115.77 2pwa n TYR 186 Ca 0.03 -0.67 -0.19 0.00 -0.16 0.00 0.00 57.90 56.91 2pwa n TYR 186 Cb 0.19 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 2pwa n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2pwa n ASP 187 N 0.74 -5.38 -4.88 7.72 8.00 -0.18 -4.90 116.55 117.67 2pwa n ASP 187 Ca 0.25 -0.08 -0.33 0.00 0.71 0.00 0.00 54.79 55.34 2pwa n ASP 187 Cb 0.96 -4.38 -0.05 0.00 -0.02 0.00 0.00 41.12 37.63 2pwa n ASP 187 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2pwa s ARG 188 N -5.08 3.75 0.21 -1.24 0.52 -1.26 -0.81 118.95 115.03 2pwa s ARG 188 Ca 0.07 0.15 -0.32 0.00 -0.52 0.00 0.00 55.73 55.11 2pwa s ARG 188 Cb -0.03 -2.84 -0.14 0.00 0.52 0.00 0.00 34.95 32.46 2pwa s ARG 188 CO 0.09 0.45 1.48 -2.13 0.02 0.00 0.00 175.30 175.21 2pwa n ARG 189 N 0.34 2.07 -1.74 3.54 0.63 -0.28 -0.89 116.66 120.33 2pwa n ARG 189 Ca -0.04 0.74 -0.39 0.00 -0.92 0.00 0.00 57.85 57.25 2pwa n ARG 189 Cb 0.52 -2.45 0.04 0.00 0.45 0.00 0.00 32.46 31.03 2pwa n ARG 189 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2pwa n SER 190 N 2.66 2.61 -0.23 6.15 7.64 0.32 -4.76 113.62 128.01 2pwa n SER 190 Ca 0.14 0.97 0.08 0.00 1.01 0.00 0.00 58.87 61.07 2pwa n SER 190 Cb 0.30 -1.57 0.34 0.00 -1.01 0.00 0.00 64.21 62.27 2pwa n SER 190 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2pwa h SER 191 N 1.39 0.70 0.56 6.43 4.64 -1.90 -0.79 113.55 124.58 2pwa h SER 191 Ca -0.51 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2pwa h SER 191 Cb 1.31 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2pwa h SER 191 CO 0.57 0.43 -0.49 2.22 -0.87 0.00 0.00 176.83 178.68 2pwa n PHE 192 N -4.51 0.06 -2.04 4.77 1.16 -1.26 -4.64 117.46 110.99 2pwa n PHE 192 Ca 0.13 0.02 -0.41 0.00 -1.87 0.00 0.00 57.45 55.32 2pwa n PHE 192 Cb 0.30 -0.31 -0.02 0.00 -1.61 0.00 0.00 39.48 37.84 2pwa n PHE 192 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2pwa s SER 193 N -3.13 6.69 1.01 5.98 0.15 -0.31 -1.28 113.70 122.82 2pwa s SER 193 Ca 0.11 2.65 -0.12 0.00 0.70 0.00 0.00 55.95 59.28 2pwa s SER 193 Cb 0.17 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 62.05 2pwa s SER 193 CO 0.69 -0.66 1.08 0.20 1.20 0.00 0.00 173.24 175.75 2pwa s ASN 194 N 0.24 2.40 0.07 5.45 0.02 -0.07 -4.04 114.94 119.01 2pwa s ASN 194 Ca 0.58 1.49 -0.00 0.00 -1.02 0.00 0.00 52.86 53.91 2pwa s ASN 194 Cb -0.41 -2.17 0.00 0.00 0.02 0.00 0.00 41.25 38.69 2pwa s ASN 194 CO 0.44 -3.32 0.09 0.00 0.02 0.00 0.00 177.10 174.34 2pwa n TYR 195 N -4.33 -0.55 0.00 2.20 0.18 -0.46 -4.74 117.16 109.47 2pwa n TYR 195 Ca 0.06 -0.48 0.00 0.00 1.88 0.00 0.00 57.90 59.36 2pwa n TYR 195 Cb 0.55 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.61 2pwa n TYR 195 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2pwa n GLY 196 N -0.12 2.35 0.29 -7.48 0.00 -1.26 -0.36 105.19 98.61 2pwa n GLY 196 Ca 0.00 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 44.00 2pwa n GLY 196 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pwa h SER 197 N 0.00 0.00 1.68 1.61 4.64 -1.97 -2.39 113.55 117.12 2pwa h SER 197 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pwa h SER 197 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pwa h SER 197 CO 0.00 0.02 0.00 1.62 -0.87 0.00 0.00 176.83 177.60 2pwa h VAL 198 N 0.00 0.00 -3.88 0.95 3.04 -1.91 -3.45 116.25 111.00 2pwa h VAL 198 Ca -0.00 -0.72 -0.54 0.00 -1.01 0.00 0.00 66.70 64.44 2pwa h VAL 198 Cb 0.05 1.71 0.10 0.00 -2.01 0.00 0.00 31.29 31.15 2pwa h VAL 198 CO 0.00 0.00 0.79 -0.76 -1.01 0.00 0.00 177.57 176.59 2pwa s LEU 199 N -5.38 4.32 -0.15 3.16 1.02 -0.90 -4.56 118.68 116.19 2pwa s LEU 199 Ca 0.08 3.04 0.17 0.00 0.02 0.00 0.00 54.13 57.44 2pwa s LEU 199 Cb 0.09 -3.66 -0.25 0.00 0.02 0.00 0.00 46.19 42.39 2pwa s LEU 199 CO 0.62 -0.87 0.23 0.47 0.02 0.00 0.00 176.35 176.82 2pwa n ASP 200 N 0.63 0.21 -3.51 2.29 8.00 -0.07 -4.61 116.55 119.50 2pwa n ASP 200 Ca 0.02 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.52 2pwa n ASP 200 Cb 0.39 0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 42.24 2pwa n ASP 200 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2pwa s ILE 201 N -2.56 0.00 0.11 0.53 1.10 -1.15 -4.76 121.20 114.47 2pwa s ILE 201 Ca -0.09 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.13 2pwa s ILE 201 Cb 0.07 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.64 2pwa s ILE 201 CO 0.83 0.00 -0.09 -0.36 -2.11 0.00 0.00 174.94 173.21 2pwa s PHE 202 N -2.75 2.75 0.21 3.50 0.40 -0.02 -0.92 117.98 121.15 2pwa s PHE 202 Ca 0.02 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 2pwa s PHE 202 Cb -0.01 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 2pwa s PHE 202 CO -0.07 0.44 0.07 0.20 0.70 0.00 0.00 175.22 176.57 2pwa s GLY 203 N -2.31 1.43 0.14 4.36 0.00 -0.12 -1.12 107.32 109.71 2pwa s GLY 203 Ca 0.22 -1.70 -0.33 0.00 0.00 0.00 0.00 44.72 42.91 2pwa s GLY 203 CO 0.14 -1.50 1.72 -1.05 0.00 0.00 0.00 173.10 172.42 2pwa n PRO 204 N -0.31 2.53 0.00 2.90 -0.02 -1.26 -1.18 135.00 137.66 2pwa n PRO 204 Ca -0.02 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2pwa n PRO 204 Cb 0.65 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2pwa n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwa n GLY 205 N 3.90 0.87 3.70 -1.23 0.00 0.34 -2.75 105.19 110.02 2pwa n GLY 205 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2pwa n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pwa s THR 206 N -0.02 5.38 -0.98 2.61 2.01 -0.90 -0.52 115.64 123.22 2pwa s THR 206 Ca 0.00 0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.16 2pwa s THR 206 Cb 0.00 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 2pwa s THR 206 CO 0.00 0.39 0.86 0.47 -0.69 0.00 0.00 174.62 175.65 2pwa n ASP 207 N 3.88 -6.58 -4.46 3.53 8.00 -1.22 -4.65 116.55 115.05 2pwa n ASP 207 Ca -0.15 -0.62 -0.39 0.00 0.71 0.00 0.00 54.79 54.34 2pwa n ASP 207 Cb 0.52 -5.04 -0.11 0.00 -0.02 0.00 0.00 41.12 36.47 2pwa n ASP 207 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pwa s ILE 208 N -3.33 4.74 -0.00 0.53 -1.09 -0.20 -4.86 121.20 116.98 2pwa s ILE 208 Ca 0.39 -0.38 -0.30 0.00 -2.23 0.00 0.00 60.65 58.14 2pwa s ILE 208 Cb -0.05 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 2pwa s ILE 208 CO 0.71 0.05 0.96 -0.22 -1.23 0.00 0.00 174.94 175.22 2pwa s LEU 209 N 1.64 4.37 0.00 2.97 2.96 -1.26 -2.16 118.68 127.20 2pwa s LEU 209 Ca 0.05 1.64 -0.09 0.00 -0.22 0.00 0.00 54.13 55.51 2pwa s LEU 209 Cb -0.17 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.01 2pwa s LEU 209 CO 0.07 -0.25 0.53 -0.24 -1.32 0.00 0.00 176.35 175.14 2pwa n SER 210 N 3.86 -1.53 -4.73 3.68 2.88 -0.63 -4.87 113.62 112.29 2pwa n SER 210 Ca 0.06 -2.19 -0.34 0.00 -1.33 0.00 0.00 58.87 55.06 2pwa n SER 210 Cb 0.51 2.58 0.09 0.00 -0.75 0.00 0.00 64.21 66.64 2pwa n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2pwa s THR 211 N -2.42 2.49 0.17 2.46 -4.23 -1.26 -1.35 115.64 111.49 2pwa s THR 211 Ca 0.13 0.24 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2pwa s THR 211 Cb -0.03 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2pwa s THR 211 CO 0.10 -0.13 0.18 0.86 -0.54 0.00 0.00 174.62 175.08 2pwa s TRP 212 N -2.07 0.75 0.89 3.99 -0.11 -0.15 -2.68 118.94 119.56 2pwa s TRP 212 Ca 0.73 -1.08 -0.11 0.00 1.22 0.00 0.00 56.10 56.86 2pwa s TRP 212 Cb -0.27 -0.31 0.13 0.00 -1.50 0.00 0.00 33.47 31.51 2pwa s TRP 212 CO 0.45 -0.65 1.10 0.96 -4.62 0.00 0.00 176.95 174.19 2pwa s ILE 213 N -4.05 2.64 -1.10 5.86 -4.36 -1.26 -2.12 121.20 116.81 2pwa s ILE 213 Ca 0.25 0.21 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 2pwa s ILE 213 Cb 0.05 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.24 2pwa s ILE 213 CO 0.04 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.56 2pwa n GLY 214 N -0.58 0.42 2.31 6.27 0.00 -1.26 -3.29 105.19 109.05 2pwa n GLY 214 Ca 0.09 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2pwa n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwa n GLY 215 N -1.21 0.47 0.43 -0.02 0.00 -1.22 -4.98 105.19 98.67 2pwa n GLY 215 Ca -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 2pwa n GLY 215 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pwa n SER 216 N -0.42 1.21 -3.93 1.61 2.88 -0.90 -4.96 113.62 109.10 2pwa n SER 216 Ca -0.15 -1.22 -0.09 0.00 -1.33 0.00 0.00 58.87 56.08 2pwa n SER 216 Cb 0.55 -0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 2pwa n SER 216 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2pwa s THR 217 N -0.32 0.13 0.20 2.46 -4.23 -1.26 -0.97 115.64 111.65 2pwa s THR 217 Ca 0.03 -1.11 -0.23 0.00 -1.18 0.00 0.00 61.69 59.21 2pwa s THR 217 Cb -0.00 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 72.99 2pwa s THR 217 CO 0.02 -0.61 0.75 0.00 -0.54 0.00 0.00 174.62 174.24 2pwa s ARG 218 N -2.61 1.44 -0.17 3.99 1.70 -0.46 -4.82 118.95 118.03 2pwa s ARG 218 Ca -0.05 -0.72 -0.05 0.00 -0.47 0.00 0.00 55.73 54.44 2pwa s ARG 218 Cb -0.01 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 2pwa s ARG 218 CO -0.05 -0.65 0.01 -1.12 -1.08 0.00 0.00 175.30 172.41 2pwa s SER 219 N -2.83 5.17 0.24 -2.89 0.01 -1.26 -1.60 113.70 110.54 2pwa s SER 219 Ca 0.08 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.31 2pwa s SER 219 Cb -0.03 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 2pwa s SER 219 CO -0.01 0.17 0.16 0.27 0.41 0.00 0.00 173.24 174.23 2pwa s ILE 220 N 0.39 0.08 0.04 1.44 -4.36 -0.92 -4.83 121.20 113.05 2pwa s ILE 220 Ca -0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 2pwa s ILE 220 Cb -0.13 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.04 2pwa s ILE 220 CO 0.02 0.00 -0.14 -0.44 0.24 0.00 0.00 174.94 174.62 2pwa s SER 221 N -3.23 1.64 0.00 4.36 0.01 -1.26 -1.03 113.70 114.18 2pwa s SER 221 Ca 0.39 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2pwa s SER 221 Cb 0.06 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2pwa s SER 221 CO 0.15 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2pwa n GLY 222 N 1.79 2.38 0.32 3.44 0.00 0.32 -4.86 105.19 108.58 2pwa n GLY 222 Ca -0.19 -0.93 0.21 0.00 0.00 0.00 0.00 46.02 45.12 2pwa n GLY 222 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pwa h THR 223 N 0.85 0.00 0.00 2.61 1.35 -1.84 -0.72 112.91 115.15 2pwa h THR 223 Ca 0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.72 2pwa h THR 223 Cb 0.00 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2pwa h THR 223 CO 0.00 0.00 -0.03 0.28 -0.25 0.00 0.00 175.52 175.52 2pwa h SER 224 N 0.00 0.00 0.61 5.36 0.02 -1.89 -1.54 113.55 116.11 2pwa h SER 224 Ca -0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2pwa h SER 224 Cb 0.14 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2pwa h SER 224 CO 0.00 0.03 -1.52 0.24 -1.14 0.00 0.00 176.83 174.44 2pwa h MET 225 N 0.00 0.02 -0.30 3.45 2.86 -1.42 -3.36 114.93 116.17 2pwa h MET 225 Ca -0.00 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 2pwa h MET 225 Cb 0.07 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2pwa h MET 225 CO 0.00 0.68 -0.38 0.00 1.06 0.00 0.00 176.91 178.27 2pwa h ALA 226 N 0.95 0.45 -0.31 6.32 0.00 -1.26 -3.32 119.26 122.10 2pwa h ALA 226 Ca -0.22 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.32 2pwa h ALA 226 Cb 1.95 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 2pwa h ALA 226 CO 0.10 0.55 -0.14 1.15 0.00 0.00 0.00 179.25 180.90 2pwa h THR 227 N 0.56 0.55 0.00 0.00 2.02 -1.44 -1.57 112.91 113.03 2pwa h THR 227 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2pwa h THR 227 Cb 0.97 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2pwa h THR 227 CO 0.09 0.00 -0.07 1.55 0.37 0.00 0.00 175.52 177.46 2pwa h PRO 228 N -0.10 0.00 -0.57 6.66 0.13 -1.72 0.05 132.00 136.46 2pwa h PRO 228 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 2pwa h PRO 228 Cb 0.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 2pwa h PRO 228 CO -0.37 0.07 0.32 0.45 -0.23 0.00 0.00 178.00 178.24 2pwa h HIS 229 N 0.00 0.78 -0.35 1.56 3.86 -1.38 0.28 115.15 119.89 2pwa h HIS 229 Ca -0.00 -0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.03 2pwa h HIS 229 Cb 0.52 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 2pwa h HIS 229 CO 0.00 0.56 -0.43 0.28 0.86 0.00 0.00 177.93 179.20 2pwa h VAL 230 N 0.77 1.27 -0.45 2.45 2.07 -0.96 -0.09 116.25 121.32 2pwa h VAL 230 Ca 0.20 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2pwa h VAL 230 Cb 0.03 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2pwa h VAL 230 CO -0.03 0.54 0.25 0.00 0.02 0.00 0.00 177.57 178.34 2pwa h ALA 231 N 0.74 0.57 -0.62 1.67 0.00 -0.96 0.42 119.26 121.09 2pwa h ALA 231 Ca 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2pwa h ALA 231 Cb 1.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2pwa h ALA 231 CO 0.10 0.10 0.12 0.78 0.00 0.00 0.00 179.25 180.35 2pwa h GLY 232 N 0.59 1.07 1.00 0.00 0.00 -0.91 -1.58 103.07 103.23 2pwa h GLY 232 Ca 0.16 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 2pwa h GLY 232 CO -0.03 0.63 0.34 -2.00 0.00 0.00 0.00 176.54 175.49 2pwa h LEU 233 N 0.94 0.77 -0.19 3.11 5.85 -0.61 -0.47 115.31 124.71 2pwa h LEU 233 Ca 0.19 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2pwa h LEU 233 Cb 0.39 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2pwa h LEU 233 CO 0.01 0.64 0.01 0.00 -0.34 0.00 0.00 178.44 178.76 2pwa h ALA 234 N 1.16 0.17 -0.47 1.25 0.00 -0.61 0.05 119.26 120.81 2pwa h ALA 234 Ca 0.22 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2pwa h ALA 234 Cb 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2pwa h ALA 234 CO -0.04 -0.43 0.23 0.00 0.00 0.00 0.00 179.25 179.02 2pwa h ALA 235 N 1.16 0.59 -0.46 0.00 0.00 -0.95 0.92 119.26 120.52 2pwa h ALA 235 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2pwa h ALA 235 Cb 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2pwa h ALA 235 CO -0.15 -0.12 0.19 -0.92 0.00 0.00 0.00 179.25 178.25 2pwa h TYR 236 N 0.46 0.34 -0.08 0.00 3.20 -0.71 -0.66 116.97 119.52 2pwa h TYR 236 Ca 0.20 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 2pwa h TYR 236 Cb 0.12 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2pwa h TYR 236 CO -0.10 0.15 -0.62 -0.07 -1.64 0.00 0.00 178.16 175.87 2pwa h LEU 237 N 0.38 0.33 -0.41 2.82 3.38 -0.51 -2.20 115.31 119.10 2pwa h LEU 237 Ca 0.21 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2pwa h LEU 237 Cb 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2pwa h LEU 237 CO -0.19 0.87 0.03 0.24 0.09 0.00 0.00 178.44 179.48 2pwa h MET 238 N 0.21 0.71 -0.85 1.13 2.86 -0.61 -1.46 114.93 116.92 2pwa h MET 238 Ca -0.01 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2pwa h MET 238 Cb 1.14 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 2pwa h MET 238 CO 0.10 0.78 0.55 1.15 1.06 0.00 0.00 176.91 180.54 2pwa h THR 239 N 0.55 1.22 0.00 2.22 2.02 -0.99 -0.88 112.91 117.06 2pwa h THR 239 Ca 0.12 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2pwa h THR 239 Cb 0.44 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2pwa h THR 239 CO 0.02 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.31 2pwa n LEU 240 N -4.39 0.13 0.00 2.58 4.77 -0.84 -4.88 117.00 114.36 2pwa n LEU 240 Ca 0.10 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2pwa n LEU 240 Cb 0.04 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2pwa n LEU 240 CO 0.37 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 2pwa n GLY 241 N 0.04 0.51 0.19 -0.72 0.00 -0.34 -4.91 105.19 99.97 2pwa n GLY 241 Ca 0.03 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.93 2pwa n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pwa h LYS 242 N 0.95 0.00 0.00 1.61 1.57 -1.51 -3.48 116.57 115.72 2pwa h LYS 242 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2pwa h LYS 242 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2pwa h LYS 242 CO 0.00 0.16 0.20 -2.37 -0.57 0.00 0.00 179.45 176.87 2pwa n THR 243 N -3.14 0.00 -4.41 -0.16 5.66 -1.24 -5.03 114.28 105.97 2pwa n THR 243 Ca 0.03 -1.16 -0.20 0.00 -3.05 0.00 0.00 64.05 59.68 2pwa n THR 243 Cb 0.60 1.02 -0.10 0.00 -1.55 0.00 0.00 70.33 70.29 2pwa n THR 243 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2pwa s THR 244 N -2.23 0.92 0.31 1.09 -4.23 -1.26 -4.39 115.64 105.85 2pwa s THR 244 Ca 0.19 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2pwa s THR 244 Cb -0.04 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 71.36 2pwa s THR 244 CO 0.14 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.16 2pwa h ALA 245 N 2.19 1.51 -0.06 3.99 0.00 -1.88 0.12 119.26 125.12 2pwa h ALA 245 Ca -0.39 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2pwa h ALA 245 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2pwa h ALA 245 CO 0.66 0.40 -0.43 0.00 0.00 0.00 0.00 179.25 179.87 2pwa h ALA 246 N 1.52 1.16 -0.01 0.00 0.00 -1.89 -3.33 119.26 116.72 2pwa h ALA 246 Ca 0.33 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pwa h ALA 246 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2pwa h ALA 246 CO -0.10 0.58 -0.13 0.43 0.00 0.00 0.00 179.25 180.04 2pwa n SER 247 N -4.01 1.35 -0.23 0.00 7.64 -0.79 -4.72 113.62 112.87 2pwa n SER 247 Ca -0.02 -1.18 -0.08 0.00 1.01 0.00 0.00 58.87 58.61 2pwa n SER 247 Cb 0.48 0.32 0.03 0.00 -1.01 0.00 0.00 64.21 64.03 2pwa n SER 247 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pwa h ALA 248 N 1.65 0.86 -0.30 -0.43 0.00 -0.89 -0.13 119.26 120.03 2pwa h ALA 248 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2pwa h ALA 248 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2pwa h ALA 248 CO 0.00 0.63 0.17 0.00 0.00 0.00 0.00 179.25 180.05 2pwa h ARG 250 N 0.35 1.03 -0.45 0.00 2.43 -1.80 -0.27 114.38 115.67 2pwa h ARG 250 Ca 0.12 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2pwa h ARG 250 Cb -0.00 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2pwa h ARG 250 CO -0.05 0.81 0.26 -0.92 -1.51 0.00 0.00 179.97 178.56 2pwa h TYR 251 N 1.00 0.60 -0.77 2.20 3.20 -0.66 0.15 116.97 122.69 2pwa h TYR 251 Ca 0.25 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.12 2pwa h TYR 251 Cb 0.12 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 2pwa h TYR 251 CO 0.01 0.43 0.51 0.82 -1.64 0.00 0.00 178.16 178.29 2pwa h ILE 252 N 0.59 1.20 -0.56 1.81 2.04 -0.46 -1.10 117.51 121.02 2pwa h ILE 252 Ca 0.16 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 2pwa h ILE 252 Cb 0.02 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 2pwa h ILE 252 CO -0.03 0.19 0.16 0.00 0.00 0.00 0.00 178.15 178.47 2pwa h ALA 253 N 1.29 0.74 -0.88 1.87 0.00 -0.73 -1.00 119.26 120.54 2pwa h ALA 253 Ca 0.29 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2pwa h ALA 253 Cb -0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.40 2pwa h ALA 253 CO -0.06 0.42 0.58 -0.44 0.00 0.00 0.00 179.25 179.74 2pwa h ASP 254 N 0.79 0.87 -0.31 0.00 3.32 -0.13 -2.89 116.42 118.07 2pwa h ASP 254 Ca 0.18 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pwa h ASP 254 Cb 0.31 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2pwa h ASP 254 CO -0.00 0.55 0.00 0.35 -1.72 0.00 0.00 179.24 178.42 2pwa n THR 255 N -4.49 0.48 -1.15 0.35 -2.24 -0.47 -5.00 114.28 101.75 2pwa n THR 255 Ca 0.14 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 2pwa n THR 255 Cb 0.21 0.97 0.11 0.00 -2.10 0.00 0.00 70.33 69.52 2pwa n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pwa s ALA 256 N -1.33 2.05 0.04 6.98 0.00 -0.40 -4.62 121.76 124.49 2pwa s ALA 256 Ca 0.31 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 2pwa s ALA 256 Cb 0.19 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 2pwa s ALA 256 CO 0.26 -1.99 1.47 -0.80 0.00 0.00 0.00 175.76 174.70 2pwa s ASN 257 N -3.27 6.78 -0.13 0.00 0.02 -0.20 -4.83 114.94 113.31 2pwa s ASN 257 Ca 0.62 2.25 -0.02 0.00 -1.02 0.00 0.00 52.86 54.69 2pwa s ASN 257 Cb -0.18 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.50 2pwa s ASN 257 CO 0.56 -0.76 -0.05 -0.75 0.02 0.00 0.00 177.10 176.13 2pwa s LYS 258 N 2.25 3.43 -0.15 -0.60 2.20 -1.26 -1.03 119.74 124.58 2pwa s LYS 258 Ca 0.67 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2pwa s LYS 258 Cb -0.35 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2pwa s LYS 258 CO 0.29 0.35 0.00 0.41 -0.36 0.00 0.00 175.35 176.03 2pwa n GLY 259 N 3.20 0.52 0.14 5.54 0.00 -0.18 -4.94 105.19 109.46 2pwa n GLY 259 Ca -0.18 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.47 2pwa n GLY 259 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pwa h ASP 260 N 0.00 0.00 -3.16 1.61 3.32 -1.81 -3.47 116.42 112.90 2pwa h ASP 260 Ca -0.03 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.43 2pwa h ASP 260 Cb 0.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 2pwa h ASP 260 CO 0.04 0.36 -0.11 -0.76 -1.72 0.00 0.00 179.24 177.06 2pwa s LEU 261 N -6.06 4.48 0.26 1.55 1.43 -1.26 -4.86 118.68 114.22 2pwa s LEU 261 Ca 0.02 1.10 0.05 0.00 -1.03 0.00 0.00 54.13 54.28 2pwa s LEU 261 Cb 0.08 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2pwa s LEU 261 CO 0.76 0.26 0.39 -0.94 0.23 0.00 0.00 176.35 177.04 2pwa s SER 262 N -0.88 6.24 -1.50 2.29 1.04 0.01 -4.54 113.70 116.35 2pwa s SER 262 Ca 0.27 0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.65 2pwa s SER 262 Cb -0.18 -1.72 0.01 0.00 0.10 0.00 0.00 66.02 64.23 2pwa s SER 262 CO 0.16 -0.15 0.79 -3.20 0.98 0.00 0.00 173.24 171.82 2pwa n ASN 263 N -1.47 -6.18 -4.60 7.02 5.15 -1.26 -1.13 115.26 112.80 2pwa n ASN 263 Ca -0.07 -0.37 -0.41 0.00 -0.60 0.00 0.00 54.58 53.12 2pwa n ASN 263 Cb 0.57 -4.95 -0.06 0.00 -0.53 0.00 0.00 39.78 34.81 2pwa n ASN 263 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pwa s ILE 264 N -3.22 4.88 0.24 -1.44 -1.09 -1.26 -4.70 121.20 114.60 2pwa s ILE 264 Ca 0.40 0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 59.43 2pwa s ILE 264 Cb -0.18 -4.07 -0.10 0.00 -1.58 0.00 0.00 42.46 36.54 2pwa s ILE 264 CO 0.49 -0.21 1.41 -2.84 -1.23 0.00 0.00 174.94 172.56 2pwa s PRO 265 N 2.75 4.30 0.08 2.79 0.02 -1.26 -4.89 135.00 138.78 2pwa s PRO 265 Ca 0.27 2.24 -0.36 0.00 0.02 0.00 0.00 61.00 63.17 2pwa s PRO 265 Cb -0.14 -3.13 -0.18 0.00 0.02 0.00 0.00 34.50 31.06 2pwa s PRO 265 CO 0.13 -0.38 1.04 0.34 -0.33 0.00 0.00 177.00 177.80 2pwa n PHE 266 N 2.40 0.71 0.00 6.54 -0.00 -1.26 -1.58 117.46 124.27 2pwa n PHE 266 Ca 0.07 0.91 0.00 0.00 -0.00 0.00 0.00 57.45 58.43 2pwa n PHE 266 Cb 0.41 -2.14 0.00 0.00 -0.00 0.00 0.00 39.48 37.75 2pwa n PHE 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2pwa n GLY 267 N 1.83 2.36 3.79 7.13 0.00 -1.26 -5.04 105.19 114.00 2pwa n GLY 267 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2pwa n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pwa s THR 268 N -2.50 4.74 0.47 2.61 2.01 -0.61 -4.09 115.64 118.25 2pwa s THR 268 Ca 0.00 1.30 -0.25 0.00 0.31 0.00 0.00 61.69 63.05 2pwa s THR 268 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 2pwa s THR 268 CO 0.00 0.51 1.40 1.33 -0.69 0.00 0.00 174.62 177.17 2pwa n VAL 269 N 2.01 2.95 -3.41 3.82 0.24 -1.26 -4.82 118.33 117.86 2pwa n VAL 269 Ca -0.09 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.35 2pwa n VAL 269 Cb 0.51 -1.78 -0.04 0.00 -1.47 0.00 0.00 33.84 31.06 2pwa n VAL 269 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2pwa n ASN 270 N -0.28 4.78 -3.81 -1.34 4.05 -1.26 -4.92 115.26 112.49 2pwa n ASN 270 Ca 0.06 -3.27 -0.19 0.00 0.45 0.00 0.00 54.58 51.64 2pwa n ASN 270 Cb 0.42 -1.05 -0.17 0.00 1.23 0.00 0.00 39.78 40.21 2pwa n ASN 270 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2pwa s LEU 271 N -2.00 1.00 -0.12 1.20 1.43 -1.26 -1.01 118.68 117.93 2pwa s LEU 271 Ca 0.32 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2pwa s LEU 271 Cb 0.01 -0.28 0.01 0.00 0.03 0.00 0.00 46.19 45.96 2pwa s LEU 271 CO -0.04 -0.12 -0.18 -0.22 0.23 0.00 0.00 176.35 176.02 2pwa s LEU 272 N 1.27 1.86 0.22 1.79 2.96 -0.20 -0.84 118.68 125.74 2pwa s LEU 272 Ca -0.06 -0.49 -0.32 0.00 -0.22 0.00 0.00 54.13 53.05 2pwa s LEU 272 Cb -0.13 -1.21 -0.14 0.00 0.50 0.00 0.00 46.19 45.21 2pwa s LEU 272 CO -0.02 0.05 1.34 0.00 -1.32 0.00 0.00 176.35 176.39 2pwa n ALA 273 N 4.10 0.63 -3.56 5.97 0.00 -0.28 -1.03 120.51 126.34 2pwa n ALA 273 Ca -0.19 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 2pwa n ALA 273 Cb 0.51 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 2pwa n ALA 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2pwa s TYR 274 N -0.11 -0.46 -0.95 0.00 5.04 -1.26 -4.44 117.35 115.16 2pwa s TYR 274 Ca 0.69 1.04 0.27 0.00 -2.44 0.00 0.00 57.07 56.63 2pwa s TYR 274 Cb -0.70 0.17 0.82 0.00 0.35 0.00 0.00 41.96 42.59 2pwa s TYR 274 CO 0.50 -0.27 1.64 0.27 -1.34 0.00 0.00 175.55 176.36 2pwa n ASN 275 N 3.84 0.33 -3.51 4.32 0.23 0.50 -4.68 115.26 116.29 2pwa n ASN 275 Ca -0.21 0.14 -0.25 0.00 -0.53 0.00 0.00 54.58 53.73 2pwa n ASN 275 Cb 0.55 -0.13 -0.00 0.00 -2.08 0.00 0.00 39.78 38.12 2pwa n ASN 275 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2pwa n ASN 276 N -1.60 -3.88 -4.71 0.53 3.02 -1.26 -4.88 115.26 102.48 2pwa n ASN 276 Ca 0.06 -0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 53.69 2pwa n ASN 276 Cb 0.35 -3.19 -0.03 0.00 -0.61 0.00 0.00 39.78 36.30 2pwa n ASN 276 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pwa s TYR 277 N -3.02 3.44 -0.31 3.10 6.04 -1.26 -4.98 117.35 120.36 2pwa s TYR 277 Ca 0.47 1.35 0.02 0.00 0.04 0.00 0.00 57.07 58.94 2pwa s TYR 277 Cb -0.24 -3.38 0.09 0.00 -1.04 0.00 0.00 41.96 37.39 2pwa s TYR 277 CO 0.57 -1.10 0.06 -0.65 -1.54 0.00 0.00 175.55 172.89 2pwa s GLN 278 N 1.19 1.18 0.00 4.97 -1.52 -1.26 -5.01 119.66 119.21 2pwa s GLN 278 Ca 0.57 -1.43 0.00 0.00 -1.95 0.00 0.00 55.36 52.56 2pwa s GLN 278 Cb -0.28 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 29.89 2pwa s GLN 278 CO 0.28 -0.91 0.33 0.00 -0.25 0.00 0.00 175.29 174.74