#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cwa s TYR 2 N 0.00 1.55 -0.15 3.17 2.02 0.46 -4.86 117.35 119.55 3cwa s TYR 2 Ca 0.00 -0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 56.56 3cwa s TYR 2 Cb 0.00 -3.50 0.04 0.00 -0.40 0.00 0.00 41.96 38.10 3cwa s TYR 2 CO 0.00 -2.15 0.38 -0.08 -1.57 0.00 0.00 175.55 172.13 3cwa s THR 3 N -3.49 -0.01 0.03 -0.71 -1.32 -1.26 -1.11 115.64 107.78 3cwa s THR 3 Ca 0.70 0.03 0.04 0.00 -1.21 0.00 0.00 61.69 61.25 3cwa s THR 3 Cb -0.04 -0.54 -0.02 0.00 -1.51 0.00 0.00 72.50 70.39 3cwa s THR 3 CO 0.48 0.01 -0.13 -0.76 -2.21 0.00 0.00 174.62 172.01 3cwa s LEU 4 N 0.48 2.15 0.44 9.08 1.43 0.44 -4.95 118.68 127.75 3cwa s LEU 4 Ca -0.02 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3cwa s LEU 4 Cb -0.04 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 3cwa s LEU 4 CO -0.02 0.04 0.72 0.20 0.23 0.00 0.00 176.35 177.51 3cwa s ASN 5 N -1.00 6.29 -0.01 2.29 0.02 -1.26 0.38 114.94 121.65 3cwa s ASN 5 Ca 0.01 0.82 -0.18 0.00 -1.02 0.00 0.00 52.86 52.49 3cwa s ASN 5 Cb -0.07 -2.20 0.03 0.00 0.02 0.00 0.00 41.25 39.03 3cwa s ASN 5 CO 0.01 -0.49 0.39 -1.66 0.02 0.00 0.00 177.10 175.36 3cwa s TRP 6 N -2.61 -0.27 -0.04 2.20 -2.14 -1.02 -4.86 118.94 110.21 3cwa s TRP 6 Ca 0.46 0.38 -0.12 0.00 2.66 0.00 0.00 56.10 59.48 3cwa s TRP 6 Cb -0.10 0.17 -0.05 0.00 -3.10 0.00 0.00 33.47 30.39 3cwa s TRP 6 CO 0.42 -0.46 0.32 -0.65 -2.66 0.00 0.00 176.95 173.91 3cwa s GLN 7 N -1.57 3.75 0.53 3.25 -0.21 -1.26 -4.76 119.66 119.39 3cwa s GLN 7 Ca -0.11 0.22 -0.15 0.00 0.02 0.00 0.00 55.36 55.34 3cwa s GLN 7 Cb -0.03 -3.21 -0.07 0.00 1.00 0.00 0.00 33.01 30.70 3cwa s GLN 7 CO 0.04 0.72 0.98 -2.14 -2.12 0.00 0.00 175.29 172.76 3cwa s PRO 8 N -1.08 3.86 0.51 2.91 0.02 -1.26 -4.44 135.00 135.52 3cwa s PRO 8 Ca 0.21 0.87 -0.05 0.00 0.02 0.00 0.00 61.00 62.06 3cwa s PRO 8 Cb -0.15 -2.14 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 3cwa s PRO 8 CO 0.10 -0.31 0.80 -1.25 -0.33 0.00 0.00 177.00 176.01 3cwa s PRO 9 N -4.28 3.29 -0.11 5.54 0.04 -1.26 -4.73 135.00 133.49 3cwa s PRO 9 Ca 0.57 0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.63 3cwa s PRO 9 Cb -0.10 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.11 3cwa s PRO 9 CO 0.36 -0.36 0.06 -0.47 0.04 0.00 0.00 177.00 176.63 3cwa s TYR 10 N -2.79 0.37 -1.22 0.56 6.14 -1.26 -4.42 117.35 114.73 3cwa s TYR 10 Ca 0.49 -0.19 -0.16 0.00 0.64 0.00 0.00 57.07 57.85 3cwa s TYR 10 Cb -0.10 -0.70 0.12 0.00 0.42 0.00 0.00 41.96 41.70 3cwa s TYR 10 CO 0.44 -0.39 1.55 0.34 0.64 0.00 0.00 175.55 178.13 3cwa s ASP 11 N 2.07 6.91 0.20 4.32 -1.08 -0.35 -4.81 116.67 123.93 3cwa s ASP 11 Ca 0.03 -2.61 -0.09 0.00 -0.52 0.00 0.00 52.55 49.36 3cwa s ASP 11 Cb -0.14 -2.49 0.14 0.00 -1.46 0.00 0.00 42.92 38.97 3cwa s ASP 11 CO -0.06 -1.00 1.80 -0.50 0.52 0.00 0.00 175.17 175.93 3cwa h TRP 12 N 7.60 1.06 -0.40 -5.34 4.06 -1.98 -1.90 115.95 119.05 3cwa h TRP 12 Ca 0.36 -0.05 0.07 0.00 2.06 0.00 0.00 58.89 61.33 3cwa h TRP 12 Cb 0.89 -0.33 -0.06 0.00 -1.00 0.00 0.00 29.16 28.66 3cwa h TRP 12 CO 1.26 0.78 0.03 1.03 -3.56 0.00 0.00 178.44 177.98 3cwa h SER 13 N 1.04 -0.10 -0.46 -3.49 0.87 -1.91 0.22 113.55 109.73 3cwa h SER 13 Ca 0.26 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 3cwa h SER 13 Cb 0.11 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3cwa h SER 13 CO -0.03 -0.01 0.20 -0.25 -0.53 0.00 0.00 176.83 176.20 3cwa h TRP 14 N 0.14 0.68 0.32 2.24 7.01 -1.90 -1.25 115.95 123.19 3cwa h TRP 14 Ca 0.20 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 3cwa h TRP 14 Cb 0.26 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 3cwa h TRP 14 CO -0.24 0.57 -0.15 1.98 -2.79 0.00 0.00 178.44 177.80 3cwa h MET 15 N 0.59 -0.41 -0.69 2.65 4.05 -0.60 -0.76 114.93 119.75 3cwa h MET 15 Ca 0.15 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.66 3cwa h MET 15 Cb 0.17 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 3cwa h MET 15 CO -0.02 -0.16 0.46 -0.07 0.23 0.00 0.00 176.91 177.35 3cwa h LEU 16 N -0.62 0.65 -0.53 3.39 3.38 -0.62 -0.52 115.31 120.45 3cwa h LEU 16 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3cwa h LEU 16 Cb 0.44 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3cwa h LEU 16 CO 0.07 0.43 0.23 1.23 0.09 0.00 0.00 178.44 180.49 3cwa h GLY 17 N 0.74 0.83 1.30 0.83 0.00 -0.99 0.58 103.07 106.35 3cwa h GLY 17 Ca 0.29 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 3cwa h GLY 17 CO -0.09 0.41 -0.00 -2.75 0.00 0.00 0.00 176.54 174.10 3cwa h PHE 18 N 0.71 0.91 -0.01 5.60 3.04 0.14 -2.37 116.94 124.96 3cwa h PHE 18 Ca 0.18 -0.14 -0.23 0.00 3.98 0.00 0.00 57.97 61.76 3cwa h PHE 18 Cb 0.16 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 38.42 3cwa h PHE 18 CO 0.00 0.84 -0.94 -0.07 -2.02 0.00 0.00 178.31 176.12 3cwa h LEU 19 N 0.79 0.60 -0.65 0.59 3.38 -0.79 -3.26 115.31 115.98 3cwa h LEU 19 Ca 0.15 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3cwa h LEU 19 Cb 0.48 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3cwa h LEU 19 CO 0.02 1.27 0.42 0.00 0.09 0.00 0.00 178.44 180.24 3cwa h ALA 20 N 0.69 0.83 0.00 1.53 0.00 0.35 0.35 119.26 123.01 3cwa h ALA 20 Ca -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3cwa h ALA 20 Cb 1.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3cwa h ALA 20 CO 0.17 0.27 -0.21 0.00 0.00 0.00 0.00 179.25 179.47 3cwa h ALA 21 N 1.23 1.60 -0.02 0.00 0.00 -1.50 -2.54 119.26 118.03 3cwa h ALA 21 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cwa h ALA 21 Cb -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3cwa h ALA 21 CO -0.05 0.27 -0.25 0.54 0.00 0.00 0.00 179.25 179.75 3cwa n ARG 22 N -4.21 1.66 -1.58 0.00 1.74 -0.91 -4.60 116.66 108.77 3cwa n ARG 22 Ca -0.02 -1.33 -0.49 0.00 -0.77 0.00 0.00 57.85 55.23 3cwa n ARG 22 Cb 0.27 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 3cwa n ARG 22 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cwa n ALA 23 N 0.52 -0.82 -2.72 7.54 0.00 0.12 -4.79 120.51 120.35 3cwa n ALA 23 Ca 0.10 0.47 -0.38 0.00 0.00 0.00 0.00 53.44 53.63 3cwa n ALA 23 Cb 0.49 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.80 3cwa n ALA 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cwa s VAL 24 N -0.16 4.99 0.09 0.00 1.01 -1.26 -4.86 120.40 120.21 3cwa s VAL 24 Ca 0.74 -0.02 -0.37 0.00 0.00 0.00 0.00 61.98 62.33 3cwa s VAL 24 Cb -0.86 -3.41 -0.16 0.00 0.00 0.00 0.00 36.38 31.94 3cwa s VAL 24 CO 0.52 0.22 1.36 -0.24 0.00 0.00 0.00 175.10 176.96 3cwa n SER 25 N 5.03 1.77 0.00 3.32 2.88 -1.26 -1.23 113.62 124.12 3cwa n SER 25 Ca -0.14 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 3cwa n SER 25 Cb 0.51 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 3cwa n SER 25 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3cwa n SER 26 N 2.61 0.00 -0.10 -3.46 7.64 -1.26 -4.75 113.62 114.30 3cwa n SER 26 Ca 0.18 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.89 3cwa n SER 26 Cb 0.20 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 3cwa n SER 26 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3cwa n VAL 27 N -1.54 1.50 -4.30 0.44 0.31 -0.49 -1.71 118.33 112.54 3cwa n VAL 27 Ca 0.00 -0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.03 3cwa n VAL 27 Cb 0.00 -2.13 -0.10 0.00 -0.91 0.00 0.00 33.84 30.69 3cwa n VAL 27 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3cwa s GLU 28 N -2.43 1.91 -0.15 5.55 2.02 -0.37 -1.41 118.70 123.82 3cwa s GLU 28 Ca -0.27 -1.23 -0.02 0.00 0.02 0.00 0.00 54.97 53.47 3cwa s GLU 28 Cb 0.07 -2.13 0.05 0.00 0.10 0.00 0.00 34.13 32.21 3cwa s GLU 28 CO 0.45 0.46 0.01 0.99 0.02 0.00 0.00 175.26 177.19 3cwa s THR 29 N -1.42 0.60 -0.09 3.63 2.01 0.37 -4.61 115.64 116.12 3cwa s THR 29 Ca 0.21 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.89 3cwa s THR 29 Cb -0.10 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3cwa s THR 29 CO 0.13 0.01 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.21 3cwa s VAL 30 N 1.85 2.74 0.26 3.82 1.01 -1.26 -1.76 120.40 127.05 3cwa s VAL 30 Ca 0.01 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3cwa s VAL 30 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 3cwa s VAL 30 CO -0.07 0.55 0.12 0.00 0.00 0.00 0.00 175.10 175.71 3cwa s ALA 31 N -0.04 1.64 -1.26 5.51 0.00 -0.68 -5.01 121.76 121.92 3cwa s ALA 31 Ca -0.05 -1.80 0.21 0.00 0.00 0.00 0.00 51.96 50.32 3cwa s ALA 31 Cb -0.14 1.17 0.99 0.00 0.00 0.00 0.00 23.12 25.14 3cwa s ALA 31 CO 0.04 -0.51 1.67 -0.40 0.00 0.00 0.00 175.76 176.56 3cwa n ASP 32 N -0.54 0.00 0.00 0.00 5.68 -1.26 -3.27 116.55 117.16 3cwa n ASP 32 Ca 0.01 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 3cwa n ASP 32 Cb 0.66 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3cwa n ASP 32 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3cwa n SER 33 N -1.37 0.70 -3.54 -1.12 3.41 -1.26 -4.92 113.62 105.52 3cwa n SER 33 Ca 0.08 -0.86 -0.09 0.00 -0.26 0.00 0.00 58.87 57.74 3cwa n SER 33 Cb 0.20 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3cwa n SER 33 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3cwa s TYR 34 N -0.25 -0.34 0.03 7.33 1.13 -1.20 -4.10 117.35 119.95 3cwa s TYR 34 Ca 0.00 0.39 0.09 0.00 -1.41 0.00 0.00 57.07 56.14 3cwa s TYR 34 Cb 0.00 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 3cwa s TYR 34 CO 0.00 -0.43 -0.26 -0.47 -2.51 0.00 0.00 175.55 171.88 3cwa s TYR 35 N -2.17 2.32 -0.03 -3.49 5.04 -0.32 -1.69 117.35 117.02 3cwa s TYR 35 Ca 0.02 -0.42 -0.17 0.00 -2.44 0.00 0.00 57.07 54.06 3cwa s TYR 35 Cb -0.01 -1.41 0.03 0.00 0.35 0.00 0.00 41.96 40.92 3cwa s TYR 35 CO -0.04 0.09 0.37 0.00 -1.34 0.00 0.00 175.55 174.63 3cwa s ALA 36 N -0.77 -0.94 0.01 3.97 0.00 -0.72 0.13 121.76 123.44 3cwa s ALA 36 Ca 0.11 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 3cwa s ALA 36 Cb -0.10 0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.14 3cwa s ALA 36 CO 0.01 -0.27 0.89 -0.98 0.00 0.00 0.00 175.76 175.41 3cwa s ARG 37 N -1.22 0.85 0.67 0.00 1.70 0.19 -0.48 118.95 120.66 3cwa s ARG 37 Ca -0.12 -0.33 -0.13 0.00 -0.47 0.00 0.00 55.73 54.68 3cwa s ARG 37 Cb -0.04 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 3cwa s ARG 37 CO 0.05 -0.37 1.08 -1.54 -1.08 0.00 0.00 175.30 173.43 3cwa s SER 38 N -2.52 5.27 -0.20 -2.89 1.04 -0.50 -0.42 113.70 113.48 3cwa s SER 38 Ca 0.05 1.82 -0.10 0.00 0.48 0.00 0.00 55.95 58.20 3cwa s SER 38 Cb -0.01 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.66 3cwa s SER 38 CO -0.08 -1.52 0.47 -0.22 0.98 0.00 0.00 173.24 172.87 3cwa s LEU 39 N -5.11 -0.42 -0.07 2.42 2.96 -0.44 -4.80 118.68 113.22 3cwa s LEU 39 Ca 0.63 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.62 3cwa s LEU 39 Cb -0.17 1.56 -0.02 0.00 0.50 0.00 0.00 46.19 48.06 3cwa s LEU 39 CO 0.46 -0.21 -0.16 0.00 -1.32 0.00 0.00 176.35 175.12 3cwa s ALA 40 N 1.84 2.57 -0.30 5.97 0.00 -1.26 -2.23 121.76 128.34 3cwa s ALA 40 Ca -0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3cwa s ALA 40 Cb -0.09 -0.98 0.11 0.00 0.00 0.00 0.00 23.12 22.16 3cwa s ALA 40 CO -0.14 0.46 0.13 0.08 0.00 0.00 0.00 175.76 176.29 3cwa s VAL 41 N -0.39 0.19 0.00 0.00 1.01 -0.20 -5.02 120.40 116.00 3cwa s VAL 41 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3cwa s VAL 41 Cb -0.12 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.09 3cwa s VAL 41 CO 0.02 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 174.98 3cwa n GLY 42 N 5.00 2.59 0.64 4.51 0.00 -1.26 -1.77 105.19 114.89 3cwa n GLY 42 Ca -0.03 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3cwa n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cwa n GLU 43 N 12.99 1.64 -2.97 1.61 1.02 -1.26 -4.92 120.64 128.76 3cwa n GLU 43 Ca 0.00 -1.29 -0.40 0.00 -0.02 0.00 0.00 57.16 55.46 3cwa n GLU 43 Cb 0.00 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 3cwa n GLU 43 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3cwa s TYR 44 N -2.25 3.81 0.03 -0.32 2.02 -0.73 -5.07 117.35 114.85 3cwa s TYR 44 Ca 0.25 1.56 -0.05 0.00 -0.37 0.00 0.00 57.07 58.45 3cwa s TYR 44 Cb 0.19 -2.81 -0.01 0.00 -0.40 0.00 0.00 41.96 38.94 3cwa s TYR 44 CO 0.44 0.38 0.09 1.03 -1.57 0.00 0.00 175.55 175.91 3cwa s ARG 45 N -0.53 0.52 0.00 -0.62 0.52 -1.22 -1.03 118.95 116.60 3cwa s ARG 45 Ca 0.38 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 3cwa s ARG 45 Cb -0.22 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.46 3cwa s ARG 45 CO 0.25 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.85 3cwa n GLY 46 N 1.06 0.76 2.99 -3.53 0.00 -0.95 -3.87 105.19 101.66 3cwa n GLY 46 Ca -0.21 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 3cwa n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cwa s VAL 47 N -1.77 1.05 -0.10 1.61 1.01 -1.26 -1.33 120.40 119.61 3cwa s VAL 47 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 3cwa s VAL 47 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3cwa s VAL 47 CO 0.00 0.34 0.13 -0.69 0.00 0.00 0.00 175.10 174.89 3cwa s VAL 48 N 0.90 5.39 -0.12 2.92 1.01 0.44 -2.53 120.40 128.40 3cwa s VAL 48 Ca -0.10 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 3cwa s VAL 48 Cb -0.15 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3cwa s VAL 48 CO 0.01 0.59 -0.07 -0.89 0.00 0.00 0.00 175.10 174.74 3cwa s THR 49 N -1.05 1.04 -0.27 3.92 2.01 -0.60 -0.64 115.64 120.06 3cwa s THR 49 Ca 0.16 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.75 3cwa s THR 49 Cb -0.12 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.31 3cwa s THR 49 CO 0.05 0.31 0.02 0.00 -0.69 0.00 0.00 174.62 174.32 3cwa s ALA 50 N 1.69 2.92 -0.27 7.40 0.00 0.36 -1.37 121.76 132.50 3cwa s ALA 50 Ca 0.04 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 3cwa s ALA 50 Cb -0.13 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.07 3cwa s ALA 50 CO -0.08 -0.82 -0.04 0.42 0.00 0.00 0.00 175.76 175.24 3cwa s ILE 51 N 1.44 2.91 0.33 0.00 1.01 0.40 -1.18 121.20 126.12 3cwa s ILE 51 Ca 0.02 -1.16 -0.27 0.00 0.00 0.00 0.00 60.65 59.24 3cwa s ILE 51 Cb -0.17 -2.55 -0.09 0.00 0.01 0.00 0.00 42.46 39.66 3cwa s ILE 51 CO -0.00 0.08 1.11 -2.16 0.00 0.00 0.00 174.94 173.97 3cwa s PRO 52 N 1.30 4.42 -0.56 2.79 0.04 -1.26 -0.90 135.00 140.83 3cwa s PRO 52 Ca -0.02 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.80 3cwa s PRO 52 Cb -0.18 -2.95 0.14 0.00 0.04 0.00 0.00 34.50 31.56 3cwa s PRO 52 CO -0.03 0.03 0.32 0.34 0.04 0.00 0.00 177.00 177.69 3cwa s ASP 53 N -1.07 4.54 0.31 6.66 2.15 0.17 -4.91 116.67 124.52 3cwa s ASP 53 Ca 0.50 -3.06 0.01 0.00 0.43 0.00 0.00 52.55 50.42 3cwa s ASP 53 Cb -0.30 -1.68 0.51 0.00 -0.30 0.00 0.00 42.92 41.15 3cwa s ASP 53 CO 0.38 -0.24 1.91 0.40 -0.17 0.00 0.00 175.17 177.44 3cwa h ILE 54 N 5.35 1.20 -0.09 4.11 1.08 -1.95 -0.47 117.51 126.73 3cwa h ILE 54 Ca -0.05 -0.60 0.04 0.00 -0.39 0.00 0.00 64.86 63.86 3cwa h ILE 54 Cb 0.89 0.50 -0.06 0.00 -3.07 0.00 0.00 36.82 35.09 3cwa h ILE 54 CO 0.70 0.24 -0.29 0.00 -0.69 0.00 0.00 178.15 178.11 3cwa h ALA 55 N 1.46 -0.34 -0.66 1.87 0.00 -1.93 -2.99 119.26 116.66 3cwa h ALA 55 Ca 0.20 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.85 3cwa h ALA 55 Cb 0.13 0.54 -0.16 0.00 0.00 0.00 0.00 17.79 18.30 3cwa h ALA 55 CO -0.02 -0.77 0.26 -2.13 0.00 0.00 0.00 179.25 176.59 3cwa n ARG 56 N -5.39 2.75 -4.34 0.00 3.00 -1.03 -4.94 116.66 106.71 3cwa n ARG 56 Ca -0.03 -3.07 -0.37 0.00 -0.00 0.00 0.00 57.85 54.38 3cwa n ARG 56 Cb 0.31 -2.07 -0.06 0.00 0.00 0.00 0.00 32.46 30.65 3cwa n ARG 56 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3cwa n HIS 57 N -0.72 -1.45 -4.32 -0.14 8.25 -0.30 -4.91 115.22 111.63 3cwa n HIS 57 Ca 0.42 0.73 -0.17 0.00 -0.26 0.00 0.00 57.72 58.44 3cwa n HIS 57 Cb 1.33 -2.58 -0.10 0.00 1.12 0.00 0.00 29.99 29.75 3cwa n HIS 57 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3cwa s THR 58 N -3.48 1.59 -0.18 1.59 2.01 -0.52 -2.44 115.64 114.20 3cwa s THR 58 Ca 0.61 -2.17 0.00 0.00 0.31 0.00 0.00 61.69 60.45 3cwa s THR 58 Cb -0.35 -2.00 0.04 0.00 0.01 0.00 0.00 72.50 70.20 3cwa s THR 58 CO 0.97 -0.63 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.96 3cwa s LEU 59 N -3.28 2.04 -0.24 4.42 2.96 0.16 0.43 118.68 125.18 3cwa s LEU 59 Ca 0.21 -0.79 -0.20 0.00 -0.22 0.00 0.00 54.13 53.13 3cwa s LEU 59 Cb 0.00 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 3cwa s LEU 59 CO 0.05 -0.15 0.63 -1.00 -1.32 0.00 0.00 176.35 174.56 3cwa s HIS 60 N 1.47 3.31 -0.11 5.38 3.76 -0.08 -0.42 115.29 128.60 3cwa s HIS 60 Ca -0.00 0.85 0.00 0.00 -0.15 0.00 0.00 55.06 55.76 3cwa s HIS 60 Cb -0.16 -2.82 -0.02 0.00 1.11 0.00 0.00 32.58 30.69 3cwa s HIS 60 CO -0.08 -0.28 -0.11 0.42 -0.85 0.00 0.00 174.74 173.84 3cwa s ILE 61 N 2.31 3.27 -0.00 0.60 -1.09 -0.26 -0.45 121.20 125.57 3cwa s ILE 61 Ca 0.27 -0.60 0.07 0.00 -2.23 0.00 0.00 60.65 58.15 3cwa s ILE 61 Cb -0.16 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 3cwa s ILE 61 CO 0.09 0.54 -0.22 0.21 -1.23 0.00 0.00 174.94 174.33 3cwa s ASN 62 N -0.05 2.61 0.08 3.58 2.47 -0.47 0.17 114.94 123.32 3cwa s ASN 62 Ca -0.02 -0.44 0.09 0.00 0.42 0.00 0.00 52.86 52.91 3cwa s ASN 62 Cb -0.14 -0.27 -0.03 0.00 -1.45 0.00 0.00 41.25 39.36 3cwa s ASN 62 CO 0.04 0.25 -0.23 -0.76 -3.72 0.00 0.00 177.10 172.68 3cwa s LEU 63 N -0.69 2.24 1.10 3.21 1.43 -1.26 -1.55 118.68 123.15 3cwa s LEU 63 Ca 0.09 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 3cwa s LEU 63 Cb -0.09 -1.03 0.24 0.00 0.03 0.00 0.00 46.19 45.34 3cwa s LEU 63 CO -0.00 0.15 1.14 -0.94 0.23 0.00 0.00 176.35 176.92 3cwa s SER 64 N -1.57 1.78 0.21 2.29 1.04 -1.05 -4.84 113.70 111.55 3cwa s SER 64 Ca 0.09 0.73 -0.07 0.00 0.48 0.00 0.00 55.95 57.18 3cwa s SER 64 Cb -0.10 -1.07 0.16 0.00 0.10 0.00 0.00 66.02 65.12 3cwa s SER 64 CO 0.03 -3.60 1.68 0.00 0.98 0.00 0.00 173.24 172.33 3cwa h ALA 65 N -2.22 0.93 0.00 5.32 0.00 -1.94 -3.02 119.26 118.33 3cwa h ALA 65 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3cwa h ALA 65 Cb 1.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3cwa h ALA 65 CO 0.42 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.73 3cwa n GLY 66 N -0.50 -0.64 0.00 0.00 0.00 -1.26 -1.95 105.19 100.84 3cwa n GLY 66 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.13 3cwa n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cwa n LEU 67 N -1.63 0.04 -0.36 0.99 4.77 -1.15 -3.40 117.00 116.26 3cwa n LEU 67 Ca 0.00 -0.04 0.27 0.00 -0.03 0.00 0.00 56.01 56.21 3cwa n LEU 67 Cb 0.03 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.66 3cwa n LEU 67 CO 0.04 0.01 1.20 -0.33 -1.33 0.00 0.00 177.39 176.97 3cwa h GLU 68 N 0.00 0.29 0.00 3.23 4.39 -1.33 0.19 114.58 121.35 3cwa h GLU 68 Ca 0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3cwa h GLU 68 Cb 0.50 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3cwa h GLU 68 CO 0.00 0.19 -0.00 -1.35 -1.16 0.00 0.00 179.01 176.69 3cwa h PRO 69 N 0.29 0.00 -0.57 2.33 0.11 -1.82 -2.02 132.00 130.32 3cwa h PRO 69 Ca 0.70 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 66.40 3cwa h PRO 69 Cb 1.85 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.66 3cwa h PRO 69 CO -0.42 0.00 -0.58 1.33 -0.21 0.00 0.00 178.00 178.12 3cwa n VAL 70 N -4.38 2.53 -0.14 3.15 0.24 0.63 -4.87 118.33 115.49 3cwa n VAL 70 Ca -0.03 -3.81 -0.05 0.00 -2.04 0.00 0.00 64.34 58.40 3cwa n VAL 70 Cb 0.09 -0.88 0.01 0.00 -1.47 0.00 0.00 33.84 31.59 3cwa n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cwa h ALA 71 N 1.82 0.01 -0.48 2.33 0.00 -0.84 -2.67 119.26 119.43 3cwa h ALA 71 Ca 0.29 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.44 3cwa h ALA 71 Cb 1.38 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 3cwa h ALA 71 CO 0.62 -0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.23 3cwa h ALA 72 N 1.04 0.44 -0.51 0.00 0.00 -1.89 -1.33 119.26 117.00 3cwa h ALA 72 Ca 0.21 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3cwa h ALA 72 Cb 0.50 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3cwa h ALA 72 CO -0.56 -0.40 0.22 0.93 0.00 0.00 0.00 179.25 179.44 3cwa h GLU 73 N 0.10 0.73 -0.47 0.00 5.08 -1.89 -1.69 114.58 116.44 3cwa h GLU 73 Ca 0.24 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3cwa h GLU 73 Cb 0.36 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3cwa h GLU 73 CO -0.41 0.59 0.30 0.00 -1.00 0.00 0.00 179.01 178.49 3cwa h LEU 75 N 0.64 0.63 -0.45 0.00 3.38 -0.87 -1.09 115.31 117.54 3cwa h LEU 75 Ca 0.17 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3cwa h LEU 75 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3cwa h LEU 75 CO -0.04 0.68 -0.01 0.00 0.09 0.00 0.00 178.44 179.16 3cwa h ALA 76 N 1.40 0.61 -0.83 1.53 0.00 -0.72 -0.87 119.26 120.38 3cwa h ALA 76 Ca 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3cwa h ALA 76 Cb 0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3cwa h ALA 76 CO 0.01 0.41 0.46 0.87 0.00 0.00 0.00 179.25 181.00 3cwa h LYS 77 N 0.64 1.16 -0.09 0.00 1.57 -0.33 -1.74 116.57 117.78 3cwa h LYS 77 Ca 0.13 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3cwa h LYS 77 Cb 0.51 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3cwa h LYS 77 CO 0.02 0.85 -0.49 0.52 -0.57 0.00 0.00 179.45 179.78 3cwa h MET 78 N 1.16 0.24 0.00 3.15 2.86 -1.01 -2.07 114.93 119.27 3cwa h MET 78 Ca 0.29 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3cwa h MET 78 Cb 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3cwa h MET 78 CO -0.05 0.68 -0.26 0.66 1.06 0.00 0.00 176.91 179.01 3cwa h SER 79 N 0.19 0.00 0.67 1.22 4.64 -0.56 -1.29 113.55 118.41 3cwa h SER 79 Ca 0.01 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 3cwa h SER 79 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 3cwa h SER 79 CO 0.08 0.26 -1.37 0.03 -0.87 0.00 0.00 176.83 174.96 3cwa h ARG 80 N 0.00 0.11 -0.45 4.77 3.08 -1.16 -2.18 114.38 118.55 3cwa h ARG 80 Ca -0.00 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3cwa h ARG 80 Cb 0.86 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3cwa h ARG 80 CO 0.03 0.94 -0.05 1.25 -1.07 0.00 0.00 179.97 181.07 3cwa h LEU 81 N 0.03 0.82 -1.68 3.04 5.85 -1.10 -3.20 115.31 119.06 3cwa h LEU 81 Ca -0.16 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3cwa h LEU 81 Cb 1.93 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.73 3cwa h LEU 81 CO 0.13 0.96 0.00 0.49 -0.34 0.00 0.00 178.44 179.69 3cwa n PHE 82 N -4.33 0.24 -3.70 1.25 3.72 -0.51 -0.85 117.46 113.28 3cwa n PHE 82 Ca -0.00 -0.12 -0.23 0.00 -0.05 0.00 0.00 57.45 57.04 3cwa n PHE 82 Cb 0.34 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.93 3cwa n PHE 82 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3cwa n ASP 83 N 0.92 -2.92 0.30 4.37 2.03 -0.86 -4.85 116.55 115.55 3cwa n ASP 83 Ca 0.17 -0.74 0.19 0.00 0.52 0.00 0.00 54.79 54.93 3cwa n ASP 83 Cb 0.49 -4.30 0.93 0.00 -0.72 0.00 0.00 41.12 37.52 3cwa n ASP 83 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3cwa h LEU 84 N -2.04 0.00 -0.73 -2.67 3.38 -1.78 -2.81 115.31 108.66 3cwa h LEU 84 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3cwa h LEU 84 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3cwa h LEU 84 CO 0.58 0.02 0.00 0.06 0.09 0.00 0.00 178.44 179.19 3cwa h GLN 85 N 0.00 0.00 -6.65 1.13 -0.00 -1.89 -3.41 115.11 104.29 3cwa h GLN 85 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 58.65 58.12 3cwa h GLN 85 Cb 0.26 0.00 0.06 0.00 -0.00 0.00 0.00 27.48 27.80 3cwa h GLN 85 CO 0.00 0.00 0.97 0.00 -0.00 0.00 0.00 178.83 179.80 3cwa s ASN 87 N 1.05 5.82 0.40 0.00 3.84 -1.26 -4.43 114.94 120.35 3cwa s ASN 87 Ca 0.74 -2.62 0.12 0.00 0.21 0.00 0.00 52.86 51.31 3cwa s ASN 87 Cb -0.53 -2.00 0.94 0.00 -0.55 0.00 0.00 41.25 39.11 3cwa s ASN 87 CO 0.35 -0.50 1.92 1.55 -2.79 0.00 0.00 177.10 177.63 3cwa h PRO 88 N 7.55 0.53 0.00 0.43 0.13 -1.87 -0.28 132.00 138.49 3cwa h PRO 88 Ca -0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3cwa h PRO 88 Cb 1.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3cwa h PRO 88 CO 0.75 0.35 0.00 -0.56 -0.23 0.00 0.00 178.00 178.31 3cwa h GLN 89 N 0.54 0.00 0.16 0.86 -0.00 -1.93 0.07 115.11 114.82 3cwa h GLN 89 Ca 0.37 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.69 3cwa h GLN 89 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.18 3cwa h GLN 89 CO -0.14 0.00 -1.67 0.82 -0.00 0.00 0.00 178.83 177.85 3cwa h ILE 90 N 0.00 0.95 0.13 1.86 2.04 -1.46 -2.45 117.51 118.57 3cwa h ILE 90 Ca 0.00 -2.47 -0.01 0.00 1.00 0.00 0.00 64.86 63.38 3cwa h ILE 90 Cb 0.22 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 3cwa h ILE 90 CO 0.00 0.82 -0.06 0.58 0.00 0.00 0.00 178.15 179.48 3cwa h VAL 91 N -0.01 1.04 0.00 1.67 2.07 -1.17 -2.82 116.25 117.02 3cwa h VAL 91 Ca -0.34 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 3cwa h VAL 91 Cb 2.00 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 3cwa h VAL 91 CO 0.14 0.20 -0.26 0.78 0.02 0.00 0.00 177.57 178.45 3cwa h ASN 92 N -0.59 0.00 0.87 0.57 2.35 -1.18 0.42 115.58 118.02 3cwa h ASN 92 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3cwa h ASN 92 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3cwa h ASN 92 CO 0.03 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.68 3cwa n GLY 93 N -0.01 -1.36 0.13 2.83 0.00 -0.92 -1.12 105.19 104.74 3cwa n GLY 93 Ca -0.00 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 3cwa n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwa n ALA 94 N -1.77 1.56 0.17 4.61 0.00 -0.36 -4.53 120.51 120.20 3cwa n ALA 94 Ca 0.03 -0.87 0.04 0.00 0.00 0.00 0.00 53.44 52.64 3cwa n ALA 94 Cb 0.27 0.05 0.27 0.00 0.00 0.00 0.00 19.45 20.04 3cwa n ALA 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3cwa h LEU 95 N -0.10 0.00 0.00 0.00 3.38 -0.22 -3.49 115.31 114.88 3cwa h LEU 95 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3cwa h LEU 95 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 3cwa h LEU 95 CO -0.11 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.47 3cwa n GLY 96 N 0.36 2.39 0.33 0.83 0.00 -0.28 -3.48 105.19 105.35 3cwa n GLY 96 Ca -0.00 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.75 3cwa n GLY 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cwa h ARG 97 N 0.00 0.72 -0.90 1.61 2.43 -1.94 -1.98 114.38 114.32 3cwa h ARG 97 Ca 0.00 -0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.30 3cwa h ARG 97 Cb 0.00 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.32 3cwa h ARG 97 CO 0.00 0.47 0.58 1.25 -1.51 0.00 0.00 179.97 180.77 3cwa h LEU 98 N 0.74 0.53 -0.53 3.80 5.85 -1.96 -2.38 115.31 121.36 3cwa h LEU 98 Ca 0.51 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.28 3cwa h LEU 98 Cb 0.72 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3cwa h LEU 98 CO -0.36 0.23 -0.70 0.61 -0.34 0.00 0.00 178.44 177.89 3cwa n GLY 99 N -1.47 -0.46 0.32 3.75 0.00 -0.77 -4.56 105.19 102.00 3cwa n GLY 99 Ca 0.19 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.74 3cwa n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwa h ALA 100 N 3.47 2.13 0.05 4.61 0.00 -1.13 -2.55 119.26 125.84 3cwa h ALA 100 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3cwa h ALA 100 Cb 0.63 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3cwa h ALA 100 CO 0.00 -0.28 -1.11 0.00 0.00 0.00 0.00 179.25 177.86 3cwa h ALA 101 N 1.87 0.13 -2.17 0.00 0.00 -1.80 -3.37 119.26 113.91 3cwa h ALA 101 Ca 0.10 -0.74 -0.57 0.00 0.00 0.00 0.00 54.91 53.70 3cwa h ALA 101 Cb 0.44 0.06 -0.41 0.00 0.00 0.00 0.00 17.79 17.88 3cwa h ALA 101 CO -0.00 0.74 -0.78 0.54 0.00 0.00 0.00 179.25 179.75 3cwa n ARG 102 N -3.78 2.32 0.32 0.00 1.74 -1.09 -4.92 116.66 111.26 3cwa n ARG 102 Ca -0.11 -4.35 0.22 0.00 -0.77 0.00 0.00 57.85 52.84 3cwa n ARG 102 Cb 0.92 -2.02 1.17 0.00 -1.02 0.00 0.00 32.46 31.51 3cwa n ARG 102 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3cwa h PRO 103 N 3.48 0.00 -0.08 5.56 0.13 -1.64 -1.89 132.00 137.56 3cwa h PRO 103 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3cwa h PRO 103 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3cwa h PRO 103 CO 0.73 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 3cwa n GLY 104 N -1.09 -0.44 3.75 1.56 0.00 -1.26 -4.73 105.19 102.97 3cwa n GLY 104 Ca -0.03 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3cwa n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cwa n LEU 105 N -0.29 4.83 -4.17 0.99 -0.00 -0.71 -1.21 117.00 116.43 3cwa n LEU 105 Ca 0.14 1.13 -0.11 0.00 -0.00 0.00 0.00 56.01 57.18 3cwa n LEU 105 Cb 0.17 -1.58 -0.10 0.00 -0.00 0.00 0.00 43.42 41.91 3cwa n LEU 105 CO 0.11 -0.22 -0.38 -0.13 -0.00 0.00 0.00 177.39 176.77 3cwa s ARG 106 N -2.34 0.84 -0.31 1.96 1.81 -1.26 -4.92 118.95 114.73 3cwa s ARG 106 Ca 0.60 -1.34 -0.20 0.00 -1.72 0.00 0.00 55.73 53.07 3cwa s ARG 106 Cb -0.47 -0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 33.84 3cwa s ARG 106 CO 0.59 -0.03 0.60 -1.17 -0.68 0.00 0.00 175.30 174.60 3cwa s LEU 107 N -3.05 4.16 -0.33 2.53 2.96 -1.26 -5.01 118.68 118.68 3cwa s LEU 107 Ca 0.12 0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 3cwa s LEU 107 Cb 0.05 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 3cwa s LEU 107 CO -0.04 -0.45 1.62 -2.84 -1.32 0.00 0.00 176.35 173.31 3cwa s PRO 108 N 2.54 3.53 0.00 0.98 0.02 -1.26 -4.22 135.00 136.59 3cwa s PRO 108 Ca 0.24 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.57 3cwa s PRO 108 Cb -0.15 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.27 3cwa s PRO 108 CO 0.12 -1.61 0.00 0.41 -0.33 0.00 0.00 177.00 175.58 3cwa n GLY 109 N 5.11 1.05 3.34 0.52 0.00 -0.03 -4.68 105.19 110.50 3cwa n GLY 109 Ca 0.20 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 3cwa n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cwa n VAL 111 N -0.24 0.04 -3.63 0.00 3.14 -1.26 -3.82 118.33 112.56 3cwa n VAL 111 Ca -0.04 -0.15 -0.03 0.00 -2.96 0.00 0.00 64.34 61.15 3cwa n VAL 111 Cb 0.63 0.56 -0.05 0.00 -1.06 0.00 0.00 33.84 33.92 3cwa n VAL 111 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3cwa s ASP 112 N -3.50 -0.97 0.26 6.55 2.15 -1.26 -4.87 116.67 115.02 3cwa s ASP 112 Ca 0.04 1.43 -0.03 0.00 0.43 0.00 0.00 52.55 54.42 3cwa s ASP 112 Cb 0.15 1.78 0.41 0.00 -0.30 0.00 0.00 42.92 44.96 3cwa s ASP 112 CO 0.84 -0.21 1.85 0.00 -0.17 0.00 0.00 175.17 177.48 3cwa h ALA 113 N 7.38 1.30 -0.10 3.66 0.00 -1.80 -2.11 119.26 127.60 3cwa h ALA 113 Ca -0.24 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3cwa h ALA 113 Cb 1.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3cwa h ALA 113 CO 0.13 0.28 -0.06 0.35 0.00 0.00 0.00 179.25 179.95 3cwa h PHE 114 N 1.00 -0.14 -0.44 0.00 3.57 -1.93 0.15 116.94 119.15 3cwa h PHE 114 Ca 0.42 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.99 3cwa h PHE 114 Cb 0.27 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 3cwa h PHE 114 CO -0.02 -0.10 0.11 1.49 -2.23 0.00 0.00 178.31 177.56 3cwa h GLU 115 N -0.06 0.25 -0.84 1.11 4.81 -1.81 -1.38 114.58 116.66 3cwa h GLU 115 Ca 0.06 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3cwa h GLU 115 Cb 0.15 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3cwa h GLU 115 CO -0.13 0.16 0.56 0.37 -0.73 0.00 0.00 179.01 179.24 3cwa h GLN 116 N 0.26 1.09 -0.45 1.92 5.75 -1.01 0.15 115.11 122.82 3cwa h GLN 116 Ca 0.21 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3cwa h GLN 116 Cb 0.24 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3cwa h GLN 116 CO -0.25 0.72 0.23 0.78 -2.65 0.00 0.00 178.83 177.66 3cwa h GLY 117 N 1.13 0.69 1.00 2.39 0.00 0.04 0.15 103.07 108.47 3cwa h GLY 117 Ca 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3cwa h GLY 117 CO -0.07 0.32 0.38 -2.08 0.00 0.00 0.00 176.54 175.08 3cwa h VAL 118 N 0.59 1.21 -0.43 4.60 2.07 -0.26 -1.17 116.25 122.86 3cwa h VAL 118 Ca 0.16 -0.51 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 3cwa h VAL 118 Cb 0.09 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3cwa h VAL 118 CO -0.02 0.22 -0.16 0.03 0.02 0.00 0.00 177.57 177.66 3cwa h ARG 119 N 0.92 0.81 -0.19 1.57 3.08 -0.68 0.10 114.38 120.00 3cwa h ARG 119 Ca 0.24 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3cwa h ARG 119 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3cwa h ARG 119 CO -0.04 0.92 0.10 0.00 -1.07 0.00 0.00 179.97 179.88 3cwa h ALA 120 N 1.10 0.24 -0.12 0.04 0.00 -0.31 -1.77 119.26 118.45 3cwa h ALA 120 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cwa h ALA 120 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3cwa h ALA 120 CO 0.05 -0.22 0.06 0.82 0.00 0.00 0.00 179.25 179.95 3cwa h ILE 121 N 0.20 1.12 0.00 0.00 2.04 -0.90 -2.24 117.51 117.73 3cwa h ILE 121 Ca 0.07 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3cwa h ILE 121 Cb 0.07 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3cwa h ILE 121 CO -0.01 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.43 3cwa n LEU 122 N -4.93 0.00 -0.46 1.44 4.77 0.33 -2.41 117.00 115.73 3cwa n LEU 122 Ca -0.05 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.98 3cwa n LEU 122 Cb 0.09 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3cwa n LEU 122 CO 0.34 0.00 0.44 0.61 -1.33 0.00 0.00 177.39 177.45 3cwa n GLY 123 N 0.18 -0.07 3.73 -0.72 0.00 -0.68 -4.49 105.19 103.14 3cwa n GLY 123 Ca 0.05 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3cwa n GLY 123 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cwa s GLN 124 N -0.93 4.35 0.00 1.61 -0.21 -1.01 -4.09 119.66 119.38 3cwa s GLN 124 Ca 0.14 2.08 0.00 0.00 0.02 0.00 0.00 55.36 57.59 3cwa s GLN 124 Cb 0.10 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.89 3cwa s GLN 124 CO 0.14 -0.34 0.00 -0.11 -2.12 0.00 0.00 175.29 172.86 3cwa n LEU 125 N 3.18 0.00 -4.73 2.90 7.94 -1.26 -4.90 117.00 120.12 3cwa n LEU 125 Ca 0.08 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.69 3cwa n LEU 125 Cb 0.42 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.55 3cwa n LEU 125 CO 0.58 0.00 0.70 0.68 -1.11 0.00 0.00 177.39 178.24 3cwa s VAL 126 N 0.00 1.89 0.66 1.96 -7.23 -1.26 -5.05 120.40 111.39 3cwa s VAL 126 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 3cwa s VAL 126 Cb 0.00 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 3cwa s VAL 126 CO 0.00 0.00 1.06 -0.94 -0.31 0.00 0.00 175.10 174.91 3cwa s SER 127 N -3.99 5.81 0.10 4.85 1.04 -1.26 -4.86 113.70 115.39 3cwa s SER 127 Ca 0.67 1.31 -0.29 0.00 0.48 0.00 0.00 55.95 58.13 3cwa s SER 127 Cb -0.13 -2.24 -0.12 0.00 0.10 0.00 0.00 66.02 63.63 3cwa s SER 127 CO 0.55 -1.13 1.64 0.58 0.98 0.00 0.00 173.24 175.86 3cwa h VAL 128 N -0.50 0.44 -0.06 5.02 2.07 -1.96 -0.30 116.25 120.95 3cwa h VAL 128 Ca -0.44 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.09 3cwa h VAL 128 Cb 1.22 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3cwa h VAL 128 CO 0.62 0.00 0.06 0.00 0.02 0.00 0.00 177.57 178.28 3cwa h ALA 129 N 0.06 1.75 -0.00 1.67 0.00 -1.94 -1.70 119.26 119.10 3cwa h ALA 129 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3cwa h ALA 129 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3cwa h ALA 129 CO -0.05 -0.10 -0.16 1.98 0.00 0.00 0.00 179.25 180.93 3cwa h MET 130 N 0.00 0.11 -0.94 0.00 -1.53 -1.75 -2.69 114.93 108.14 3cwa h MET 130 Ca 0.03 -0.12 0.08 0.00 -3.44 0.00 0.00 59.70 56.25 3cwa h MET 130 Cb 0.16 0.03 -0.06 0.00 -0.55 0.00 0.00 31.60 31.17 3cwa h MET 130 CO -0.00 0.87 0.61 0.00 0.14 0.00 0.00 176.91 178.53 3cwa h ALA 131 N 0.24 1.51 -0.08 0.39 0.00 -0.46 0.17 119.26 121.03 3cwa h ALA 131 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3cwa h ALA 131 Cb 0.93 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3cwa h ALA 131 CO 0.03 0.33 0.05 0.00 0.00 0.00 0.00 179.25 179.67 3cwa h ALA 132 N 1.51 0.11 -0.45 0.00 0.00 -1.34 0.26 119.26 119.34 3cwa h ALA 132 Ca 0.41 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3cwa h ALA 132 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3cwa h ALA 132 CO -0.17 -0.39 -0.04 -0.22 0.00 0.00 0.00 179.25 178.44 3cwa h LYS 133 N 0.09 0.83 0.04 0.00 1.63 -1.03 -1.53 116.57 116.59 3cwa h LYS 133 Ca 0.03 -0.28 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 3cwa h LYS 133 Cb 0.01 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 3cwa h LYS 133 CO -0.01 0.90 -0.02 1.25 -3.45 0.00 0.00 179.45 178.13 3cwa h LEU 134 N 0.67 -0.04 -1.66 5.20 6.46 -0.49 -2.38 115.31 123.07 3cwa h LEU 134 Ca 0.12 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 3cwa h LEU 134 Cb 0.55 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3cwa h LEU 134 CO 0.03 0.02 0.25 0.74 -0.62 0.00 0.00 178.44 178.86 3cwa h THR 135 N -0.10 1.07 -0.04 1.05 2.02 -0.42 -1.66 112.91 114.83 3cwa h THR 135 Ca -0.00 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 3cwa h THR 135 Cb 0.09 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3cwa h THR 135 CO 0.01 0.08 -0.35 0.00 0.37 0.00 0.00 175.52 175.64 3cwa h ALA 136 N 1.78 1.36 -0.06 6.16 0.00 -0.78 -1.33 119.26 126.38 3cwa h ALA 136 Ca 0.14 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 3cwa h ALA 136 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3cwa h ALA 136 CO -0.03 0.47 -0.64 0.00 0.00 0.00 0.00 179.25 179.04 3cwa h ARG 137 N 0.06 0.25 -0.23 0.00 3.08 -0.95 0.05 114.38 116.64 3cwa h ARG 137 Ca 0.01 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 3cwa h ARG 137 Cb 0.64 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3cwa h ARG 137 CO 0.05 0.81 -0.47 0.28 -1.07 0.00 0.00 179.97 179.56 3cwa h VAL 138 N 0.18 1.31 0.00 2.04 2.07 -1.17 -1.47 116.25 119.21 3cwa h VAL 138 Ca -0.01 -1.69 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 3cwa h VAL 138 Cb 1.17 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3cwa h VAL 138 CO 0.10 0.53 -0.31 0.00 0.02 0.00 0.00 177.57 177.91 3cwa h ALA 139 N 0.62 1.19 -0.35 1.67 0.00 -1.14 -1.25 119.26 120.01 3cwa h ALA 139 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3cwa h ALA 139 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3cwa h ALA 139 CO 0.11 0.39 -0.12 0.37 0.00 0.00 0.00 179.25 179.99 3cwa h GLN 140 N 0.00 0.70 0.00 0.00 5.75 -0.65 -0.10 115.11 120.81 3cwa h GLN 140 Ca -0.00 -0.28 -0.14 0.00 -0.15 0.00 0.00 58.65 58.07 3cwa h GLN 140 Cb 0.68 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 3cwa h GLN 140 CO 0.04 0.88 -1.00 1.25 -2.65 0.00 0.00 178.83 177.35 3cwa h LEU 141 N 0.48 0.00 -1.16 -2.39 5.85 -0.96 -3.38 115.31 113.74 3cwa h LEU 141 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3cwa h LEU 141 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3cwa h LEU 141 CO 0.04 0.54 0.00 -1.22 -0.34 0.00 0.00 178.44 177.47 3cwa n TYR 142 N -3.04 0.00 -2.62 1.25 4.01 -0.50 -5.06 117.16 111.20 3cwa n TYR 142 Ca -0.04 -0.04 -0.32 0.00 -0.16 0.00 0.00 57.90 57.34 3cwa n TYR 142 Cb 0.79 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.77 3cwa n TYR 142 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3cwa s GLY 143 N -0.11 2.14 -0.33 2.72 0.00 -0.05 -4.52 107.32 107.18 3cwa s GLY 143 Ca 0.01 0.16 -0.18 0.00 0.00 0.00 0.00 44.72 44.70 3cwa s GLY 143 CO 0.01 0.41 0.54 1.85 0.00 0.00 0.00 173.10 175.91 3cwa s GLU 144 N -3.76 3.76 0.31 2.90 2.56 -1.18 -4.85 118.70 118.44 3cwa s GLU 144 Ca 0.58 0.01 -0.28 0.00 0.00 0.00 0.00 54.97 55.29 3cwa s GLU 144 Cb -0.10 -3.76 -0.09 0.00 2.00 0.00 0.00 34.13 32.17 3cwa s GLU 144 CO 0.26 -0.58 1.03 1.03 -0.56 0.00 0.00 175.26 176.44 3cwa s ARG 145 N 2.43 4.55 -0.14 4.30 0.52 -1.26 -0.33 118.95 129.03 3cwa s ARG 145 Ca 0.20 1.58 -0.27 0.00 -0.52 0.00 0.00 55.73 56.73 3cwa s ARG 145 Cb -0.15 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 3cwa s ARG 145 CO 0.12 0.19 0.91 -0.51 0.02 0.00 0.00 175.30 176.04 3cwa s LEU 146 N -1.81 4.21 0.17 2.53 1.43 -1.21 -4.91 118.68 119.09 3cwa s LEU 146 Ca 0.48 1.34 -0.10 0.00 -1.03 0.00 0.00 54.13 54.82 3cwa s LEU 146 Cb -0.26 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 42.62 3cwa s LEU 146 CO 0.33 -0.41 1.59 0.44 0.23 0.00 0.00 176.35 178.52 3cwa h ASP 147 N 7.20 1.05 0.22 2.29 3.32 -1.94 -2.11 116.42 126.45 3cwa h ASP 147 Ca -0.30 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 56.32 3cwa h ASP 147 Cb 1.14 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3cwa h ASP 147 CO 0.84 1.16 -0.27 -2.24 -1.72 0.00 0.00 179.24 177.01 3cwa h ASP 148 N 0.92 0.09 -2.34 6.45 3.04 -1.97 -3.36 116.42 119.24 3cwa h ASP 148 Ca 0.14 -0.03 -0.57 0.00 -3.24 0.00 0.00 57.03 53.33 3cwa h ASP 148 Cb 0.70 -0.02 -0.37 0.00 -1.04 0.00 0.00 39.33 38.59 3cwa h ASP 148 CO 0.05 0.37 -0.95 -0.36 -2.04 0.00 0.00 179.24 176.32 3cwa s PHE 149 N -4.42 0.93 0.40 4.15 0.08 -1.07 -5.01 117.98 113.05 3cwa s PHE 149 Ca -0.04 -2.17 0.19 0.00 0.12 0.00 0.00 56.93 55.03 3cwa s PHE 149 Cb 0.15 -0.86 1.13 0.00 -0.57 0.00 0.00 43.02 42.87 3cwa s PHE 149 CO 0.73 -0.85 1.77 -1.35 -0.10 0.00 0.00 175.22 175.42 3cwa h PRO 150 N 5.79 0.36 -0.27 0.24 0.11 -1.55 -1.14 132.00 135.54 3cwa h PRO 150 Ca 0.24 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.35 3cwa h PRO 150 Cb 0.93 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3cwa h PRO 150 CO 0.34 0.24 0.18 0.93 -0.21 0.00 0.00 178.00 179.48 3cwa h GLU 151 N 0.37 0.24 -6.64 1.05 4.39 -1.95 -3.44 114.58 108.59 3cwa h GLU 151 Ca 0.60 -0.01 -0.45 0.00 0.34 0.00 0.00 59.36 59.84 3cwa h GLU 151 Cb 1.57 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 30.19 3cwa h GLU 151 CO -0.29 0.16 -0.14 0.71 -1.16 0.00 0.00 179.01 178.29 3cwa s TYR 152 N -5.26 3.07 -0.15 4.33 2.02 -0.43 -4.75 117.35 116.19 3cwa s TYR 152 Ca -0.06 0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.57 3cwa s TYR 152 Cb 0.18 -2.37 0.05 0.00 -0.40 0.00 0.00 41.96 39.41 3cwa s TYR 152 CO 0.71 -0.43 0.37 -1.50 -1.57 0.00 0.00 175.55 173.13 3cwa s ILE 153 N -2.52 -0.02 0.43 2.71 2.07 -0.69 -3.29 121.20 119.88 3cwa s ILE 153 Ca 0.51 0.07 -0.24 0.00 -1.41 0.00 0.00 60.65 59.58 3cwa s ILE 153 Cb -0.10 -0.55 -0.08 0.00 0.13 0.00 0.00 42.46 41.86 3cwa s ILE 153 CO 0.36 0.03 1.13 0.00 -1.91 0.00 0.00 174.94 174.55 3cwa s PHE 155 N -1.55 2.45 0.80 0.00 5.36 -1.26 -3.13 117.98 120.66 3cwa s PHE 155 Ca 0.60 1.42 -0.15 0.00 -0.96 0.00 0.00 56.93 57.84 3cwa s PHE 155 Cb -0.27 -3.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.70 3cwa s PHE 155 CO 0.33 -2.50 0.34 -2.30 -1.46 0.00 0.00 175.22 169.64 3cwa n PRO 156 N -0.88 0.09 -3.98 10.12 -0.02 -1.26 -4.69 135.00 134.38 3cwa n PRO 156 Ca 0.09 0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.42 3cwa n PRO 156 Cb 0.46 -1.72 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 3cwa n PRO 156 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3cwa s THR 157 N -2.06 3.65 0.28 3.45 -4.23 -1.26 -4.93 115.64 110.53 3cwa s THR 157 Ca 0.60 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.61 3cwa s THR 157 Cb -0.30 -3.17 0.17 0.00 1.34 0.00 0.00 72.50 70.54 3cwa s THR 157 CO 0.63 -0.23 1.85 -0.65 -0.54 0.00 0.00 174.62 175.68 3cwa h PRO 158 N 1.42 0.91 0.00 3.99 0.11 -1.95 -1.62 132.00 134.85 3cwa h PRO 158 Ca -0.45 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 65.40 3cwa h PRO 158 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3cwa h PRO 158 CO 0.60 0.76 -0.47 -0.56 -0.21 0.00 0.00 178.00 178.12 3cwa h GLN 159 N 0.89 0.00 0.05 1.05 -0.00 -1.96 0.37 115.11 115.50 3cwa h GLN 159 Ca 0.20 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.62 3cwa h GLN 159 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.68 3cwa h GLN 159 CO -0.01 0.47 -1.07 -0.09 -0.00 0.00 0.00 178.83 178.13 3cwa h ARG 160 N 0.00 0.12 0.00 0.06 9.65 -1.85 -3.12 114.38 119.23 3cwa h ARG 160 Ca -0.00 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 3cwa h ARG 160 Cb 0.89 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 3cwa h ARG 160 CO 0.06 1.07 -0.98 1.28 2.80 0.00 0.00 179.97 184.20 3cwa n LEU 161 N -3.46 0.69 0.09 3.80 4.77 -0.65 -3.63 117.00 118.61 3cwa n LEU 161 Ca -0.03 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 3cwa n LEU 161 Cb 0.95 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.96 3cwa n LEU 161 CO 0.50 -0.08 0.30 0.00 -1.33 0.00 0.00 177.39 176.77 3cwa h ALA 162 N 2.28 0.61 -0.49 -1.18 0.00 -0.99 -3.02 119.26 116.47 3cwa h ALA 162 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3cwa h ALA 162 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3cwa h ALA 162 CO 0.00 0.94 0.00 0.00 0.00 0.00 0.00 179.25 180.19 3cwa n ALA 163 N -2.43 3.00 -2.02 0.00 0.00 -1.18 -4.96 120.51 112.91 3cwa n ALA 163 Ca -0.02 -1.21 -0.38 0.00 0.00 0.00 0.00 53.44 51.83 3cwa n ALA 163 Cb 0.78 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 3cwa n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cwa s ALA 164 N -1.81 3.42 -0.16 0.00 0.00 -1.14 -5.03 121.76 117.04 3cwa s ALA 164 Ca 0.39 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 3cwa s ALA 164 Cb 0.25 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 3cwa s ALA 164 CO 0.18 0.30 1.23 0.34 0.00 0.00 0.00 175.76 177.81 3cwa s ASP 165 N -1.42 6.97 0.14 0.00 -1.08 -1.26 -4.94 116.67 115.09 3cwa s ASP 165 Ca 0.40 1.67 -0.31 0.00 -0.52 0.00 0.00 52.55 53.79 3cwa s ASP 165 Cb -0.20 -2.54 -0.08 0.00 -1.46 0.00 0.00 42.92 38.64 3cwa s ASP 165 CO 0.23 -0.73 1.55 -0.65 0.52 0.00 0.00 175.17 176.09 3cwa h PRO 166 N 8.03 -0.29 -0.84 4.34 0.11 -1.96 -0.46 132.00 140.94 3cwa h PRO 166 Ca -0.27 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.02 3cwa h PRO 166 Cb 1.11 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 3cwa h PRO 166 CO 0.96 -0.19 0.40 1.96 -0.21 0.00 0.00 178.00 180.92 3cwa h GLN 167 N -0.30 0.52 -0.12 1.05 7.50 -1.96 0.18 115.11 121.99 3cwa h GLN 167 Ca 0.11 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.25 3cwa h GLN 167 Cb 0.56 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 27.94 3cwa h GLN 167 CO -0.67 0.35 -0.06 0.00 -1.50 0.00 0.00 178.83 176.94 3cwa h ALA 168 N 1.59 0.04 -0.53 3.87 0.00 -1.50 0.16 119.26 122.87 3cwa h ALA 168 Ca 0.47 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.44 3cwa h ALA 168 Cb 0.73 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3cwa h ALA 168 CO -0.40 -0.52 0.35 -0.07 0.00 0.00 0.00 179.25 178.61 3cwa h LEU 169 N -0.05 0.59 -0.59 0.00 3.38 -0.61 -2.60 115.31 115.43 3cwa h LEU 169 Ca 0.07 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3cwa h LEU 169 Cb 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3cwa h LEU 169 CO -0.15 0.42 0.34 0.50 0.09 0.00 0.00 178.44 179.64 3cwa h LYS 170 N 0.70 0.63 0.00 1.13 3.64 -0.34 -1.29 116.57 121.05 3cwa h LYS 170 Ca 0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3cwa h LYS 170 Cb -0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3cwa h LYS 170 CO -0.05 0.42 0.07 0.00 -2.27 0.00 0.00 179.45 177.62 3cwa n ALA 171 N -2.32 0.89 0.64 5.00 0.00 0.48 0.03 120.51 125.24 3cwa n ALA 171 Ca 0.06 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.69 3cwa n ALA 171 Cb 0.12 -0.98 0.35 0.00 0.00 0.00 0.00 19.45 18.94 3cwa n ALA 171 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cwa n LEU 172 N -1.72 0.74 0.00 0.00 4.77 -0.49 -4.92 117.00 115.39 3cwa n LEU 172 Ca -0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3cwa n LEU 172 Cb 0.08 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3cwa n LEU 172 CO 0.03 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 3cwa n GLY 173 N 1.33 0.93 3.39 -0.72 0.00 0.10 -4.98 105.19 105.24 3cwa n GLY 173 Ca 0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3cwa n GLY 173 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3cwa s MET 174 N 0.00 0.99 0.92 1.61 0.23 -0.98 -5.07 119.30 117.00 3cwa s MET 174 Ca 0.00 -0.17 -0.10 0.00 -1.03 0.00 0.00 55.69 54.39 3cwa s MET 174 Cb 0.00 0.45 0.15 0.00 -1.53 0.00 0.00 34.83 33.90 3cwa s MET 174 CO 0.00 -0.34 1.14 -2.14 -2.03 0.00 0.00 175.02 171.65 3cwa s PRO 175 N -2.14 0.97 0.21 3.16 0.02 -1.26 -4.53 135.00 131.42 3cwa s PRO 175 Ca -0.07 1.51 -0.09 0.00 0.02 0.00 0.00 61.00 62.37 3cwa s PRO 175 Cb -0.01 -1.73 0.15 0.00 0.02 0.00 0.00 34.50 32.93 3cwa s PRO 175 CO 0.01 -2.65 1.79 1.25 -0.33 0.00 0.00 177.00 177.06 3cwa h LEU 176 N -1.89 1.02 -0.97 -5.54 5.85 -1.95 -2.81 115.31 109.03 3cwa h LEU 176 Ca -0.44 -0.15 0.22 0.00 0.84 0.00 0.00 57.88 58.35 3cwa h LEU 176 Cb 1.27 -0.26 -0.12 0.00 0.37 0.00 0.00 40.66 41.92 3cwa h LEU 176 CO 0.42 0.89 0.56 0.11 -0.34 0.00 0.00 178.44 180.08 3cwa h LYS 177 N 1.09 0.60 -0.10 1.25 1.79 -1.99 0.21 116.57 119.42 3cwa h LYS 177 Ca 0.26 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.49 3cwa h LYS 177 Cb 0.16 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3cwa h LYS 177 CO -0.03 0.40 -0.77 -0.09 -1.08 0.00 0.00 179.45 177.88 3cwa h ARG 178 N 0.62 0.55 -0.24 3.15 2.43 -1.86 -0.92 114.38 118.10 3cwa h ARG 178 Ca 0.60 -0.46 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3cwa h ARG 178 Cb 1.05 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3cwa h ARG 178 CO -0.44 1.09 -0.06 0.00 -1.51 0.00 0.00 179.97 179.04 3cwa h ALA 179 N 0.78 1.45 -0.00 2.80 0.00 -0.93 -1.58 119.26 121.77 3cwa h ALA 179 Ca -0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3cwa h ALA 179 Cb 1.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3cwa h ALA 179 CO 0.14 0.39 -0.77 0.93 0.00 0.00 0.00 179.25 179.94 3cwa h GLU 180 N 0.36 0.05 -0.56 0.00 5.08 -0.74 -2.57 114.58 116.19 3cwa h GLU 180 Ca 0.08 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3cwa h GLU 180 Cb 0.34 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3cwa h GLU 180 CO 0.02 0.79 -0.09 0.00 -1.00 0.00 0.00 179.01 178.73 3cwa h ALA 181 N 1.19 0.77 -0.53 3.43 0.00 -0.36 -0.79 119.26 122.97 3cwa h ALA 181 Ca -0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3cwa h ALA 181 Cb 1.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3cwa h ALA 181 CO 0.10 0.68 0.06 -0.07 0.00 0.00 0.00 179.25 180.02 3cwa h LEU 182 N 0.94 0.87 -0.35 0.00 3.38 -1.25 -0.72 115.31 118.17 3cwa h LEU 182 Ca 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3cwa h LEU 182 Cb 0.66 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3cwa h LEU 182 CO 0.05 0.92 0.07 0.40 0.09 0.00 0.00 178.44 179.97 3cwa h ILE 183 N 0.78 1.23 -0.24 1.22 2.04 -1.26 -1.61 117.51 119.67 3cwa h ILE 183 Ca 0.16 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3cwa h ILE 183 Cb 0.45 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3cwa h ILE 183 CO 0.02 0.27 0.14 -0.74 0.00 0.00 0.00 178.15 177.83 3cwa h HIS 184 N 0.42 0.33 -0.97 1.37 2.76 -1.02 -2.16 115.15 115.88 3cwa h HIS 184 Ca 0.11 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.35 3cwa h HIS 184 Cb 0.34 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.12 3cwa h HIS 184 CO 0.02 0.27 0.62 1.25 -1.30 0.00 0.00 177.93 178.79 3cwa h LEU 185 N 0.28 0.96 -0.68 0.26 5.85 -1.00 -0.58 115.31 120.40 3cwa h LEU 185 Ca 0.09 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3cwa h LEU 185 Cb 0.05 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3cwa h LEU 185 CO -0.01 0.59 0.24 0.00 -0.34 0.00 0.00 178.44 178.91 3cwa h ALA 186 N 1.47 0.89 0.13 1.25 0.00 -0.96 -0.60 119.26 121.44 3cwa h ALA 186 Ca 0.44 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3cwa h ALA 186 Cb 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3cwa h ALA 186 CO -0.20 0.55 -0.08 -0.91 0.00 0.00 0.00 179.25 178.61 3cwa h ASN 187 N 0.99 -0.21 -0.87 0.00 -0.26 -0.64 -0.10 115.58 114.50 3cwa h ASN 187 Ca 0.22 0.01 0.11 0.00 -0.56 0.00 0.00 56.30 56.09 3cwa h ASN 187 Cb 0.27 0.06 -0.08 0.00 -1.06 0.00 0.00 38.32 37.51 3cwa h ASN 187 CO -0.01 -0.14 0.50 0.00 -1.06 0.00 0.00 177.43 176.72 3cwa h ALA 188 N 0.65 1.28 -0.67 -0.83 0.00 -0.86 0.07 119.26 118.90 3cwa h ALA 188 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3cwa h ALA 188 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3cwa h ALA 188 CO 0.01 0.08 0.23 0.00 0.00 0.00 0.00 179.25 179.56 3cwa h ALA 189 N 1.50 0.88 -0.78 0.00 0.00 -0.64 0.48 119.26 120.70 3cwa h ALA 189 Ca 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3cwa h ALA 189 Cb 0.47 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3cwa h ALA 189 CO -0.28 0.54 0.42 -0.07 0.00 0.00 0.00 179.25 179.86 3cwa h LEU 190 N 0.97 0.98 -1.88 0.00 3.38 0.87 -2.93 115.31 116.69 3cwa h LEU 190 Ca 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3cwa h LEU 190 Cb 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3cwa h LEU 190 CO -0.01 0.80 0.00 -1.84 0.09 0.00 0.00 178.44 177.48 3cwa n GLU 191 N -4.43 2.20 -0.78 1.13 0.28 -0.53 -4.94 120.64 113.58 3cwa n GLU 191 Ca 0.07 -1.85 0.00 0.00 -0.16 0.00 0.00 57.16 55.22 3cwa n GLU 191 Cb 0.10 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.53 3cwa n GLU 191 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3cwa n GLY 192 N 1.35 0.61 0.11 -1.84 0.00 -0.88 -4.94 105.19 99.61 3cwa n GLY 192 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3cwa n GLY 192 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cwa h THR 193 N 0.00 0.00 -3.42 2.61 2.02 -1.19 -3.42 112.91 109.51 3cwa h THR 193 Ca 0.00 -0.50 -0.73 0.00 0.77 0.00 0.00 66.41 65.95 3cwa h THR 193 Cb 0.00 1.49 -0.22 0.00 -1.74 0.00 0.00 68.15 67.67 3cwa h THR 193 CO 0.00 0.00 -0.40 -0.22 0.37 0.00 0.00 175.52 175.27 3cwa s LEU 194 N -4.64 5.29 -0.14 2.58 2.96 -1.12 -4.95 118.68 118.65 3cwa s LEU 194 Ca 0.10 -1.12 -0.35 0.00 -0.22 0.00 0.00 54.13 52.55 3cwa s LEU 194 Cb 0.12 -2.15 -0.12 0.00 0.50 0.00 0.00 46.19 44.54 3cwa s LEU 194 CO 0.59 -0.53 1.91 -2.65 -1.32 0.00 0.00 176.35 174.35 3cwa n PRO 195 N 5.15 1.98 0.03 0.98 -0.02 -1.26 -4.83 135.00 137.02 3cwa n PRO 195 Ca -0.12 0.71 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3cwa n PRO 195 Cb 0.45 -2.59 0.38 0.00 -0.02 0.00 0.00 33.50 31.72 3cwa n PRO 195 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3cwa n MET 196 N 6.73 0.10 -4.12 -0.52 2.81 -1.26 -4.87 117.12 115.98 3cwa n MET 196 Ca 0.25 0.05 -0.11 0.00 -1.81 0.00 0.00 57.70 56.07 3cwa n MET 196 Cb 0.28 -1.58 -0.11 0.00 -0.71 0.00 0.00 33.22 31.10 3cwa n MET 196 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3cwa s THR 197 N -3.05 0.59 -0.08 2.03 -1.32 -1.26 -4.52 115.64 108.03 3cwa s THR 197 Ca 0.11 -1.58 -0.34 0.00 -1.21 0.00 0.00 61.69 58.67 3cwa s THR 197 Cb 0.16 -1.23 -0.12 0.00 -1.51 0.00 0.00 72.50 69.81 3cwa s THR 197 CO 0.63 -0.69 1.88 0.00 -2.21 0.00 0.00 174.62 174.24 3cwa n ILE 198 N 0.58 0.58 -1.83 5.08 3.06 -1.26 -4.95 119.36 120.62 3cwa n ILE 198 Ca -0.17 -0.10 -0.30 0.00 -2.50 0.00 0.00 62.75 59.68 3cwa n ILE 198 Cb 0.58 -1.89 0.05 0.00 0.54 0.00 0.00 39.64 38.92 3cwa n ILE 198 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 3cwa s PRO 199 N 4.04 2.85 0.15 9.51 0.04 -1.26 -4.99 135.00 145.34 3cwa s PRO 199 Ca 0.92 0.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 3cwa s PRO 199 Cb -0.68 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 31.88 3cwa s PRO 199 CO 0.51 -1.05 1.73 0.78 0.04 0.00 0.00 177.00 179.01 3cwa h GLY 200 N -0.67 0.75 -7.56 0.56 0.00 -2.06 -3.32 103.07 90.76 3cwa h GLY 200 Ca -0.45 -0.38 -0.75 0.00 0.00 0.00 0.00 47.33 45.75 3cwa h GLY 200 CO 0.63 0.36 0.08 -0.35 0.00 0.00 0.00 176.54 177.25 3cwa s ASP 201 N -5.87 6.47 0.34 0.19 -1.08 -1.26 -4.94 116.67 110.52 3cwa s ASP 201 Ca -0.13 -3.28 0.11 0.00 -0.52 0.00 0.00 52.55 48.73 3cwa s ASP 201 Cb 0.11 -2.07 0.90 0.00 -1.46 0.00 0.00 42.92 40.40 3cwa s ASP 201 CO 0.76 -0.34 1.77 0.58 0.52 0.00 0.00 175.17 178.46 3cwa h VAL 202 N 4.32 0.62 0.00 1.11 2.07 -1.98 -1.77 116.25 120.62 3cwa h VAL 202 Ca 0.12 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3cwa h VAL 202 Cb 0.91 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3cwa h VAL 202 CO 0.85 0.11 -0.82 1.05 0.02 0.00 0.00 177.57 178.78 3cwa h GLU 203 N 0.60 0.00 -0.33 1.57 4.11 -1.95 -1.70 114.58 116.88 3cwa h GLU 203 Ca 0.59 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.98 3cwa h GLU 203 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3cwa h GLU 203 CO -0.36 0.20 0.07 0.37 0.07 0.00 0.00 179.01 179.36 3cwa h GLN 204 N 0.00 0.54 -0.29 1.06 -0.00 -1.82 0.05 115.11 114.65 3cwa h GLN 204 Ca -0.05 -0.13 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 3cwa h GLN 204 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 3cwa h GLN 204 CO 0.03 0.61 0.18 0.00 0.00 0.00 0.00 178.83 179.65 3cwa h ALA 205 N 0.91 0.37 -0.53 3.38 0.00 -1.34 -2.00 119.26 120.05 3cwa h ALA 205 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3cwa h ALA 205 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3cwa h ALA 205 CO 0.00 -0.15 0.35 0.52 0.00 0.00 0.00 179.25 179.97 3cwa h MET 206 N 0.38 0.70 -0.40 0.00 2.86 -1.05 -1.14 114.93 116.29 3cwa h MET 206 Ca 0.11 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3cwa h MET 206 Cb -0.02 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3cwa h MET 206 CO -0.02 0.46 0.16 -0.22 1.06 0.00 0.00 176.91 178.35 3cwa h LYS 207 N 0.72 0.59 -0.49 1.72 3.64 -0.46 -2.28 116.57 120.01 3cwa h LYS 207 Ca 0.19 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3cwa h LYS 207 Cb -0.08 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3cwa h LYS 207 CO -0.04 0.56 0.16 1.15 -2.27 0.00 0.00 179.45 179.01 3cwa h THR 208 N 0.49 1.20 -0.14 1.00 2.02 -0.62 -1.69 112.91 115.16 3cwa h THR 208 Ca 0.13 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 3cwa h THR 208 Cb 0.19 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3cwa h THR 208 CO -0.01 0.25 -0.18 -0.07 0.37 0.00 0.00 175.52 175.88 3cwa h LEU 209 N 0.71 0.22 0.00 2.58 3.38 -0.84 -2.51 115.31 118.85 3cwa h LEU 209 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3cwa h LEU 209 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3cwa h LEU 209 CO -0.01 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3cwa n GLN 210 N -4.23 0.16 0.07 1.13 6.02 -0.64 -1.36 117.38 118.53 3cwa n GLN 210 Ca -0.01 0.18 0.01 0.00 -0.01 0.00 0.00 57.00 57.17 3cwa n GLN 210 Cb 0.30 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.01 3cwa n GLN 210 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3cwa h THR 211 N 0.00 0.64 -3.44 5.09 1.35 -1.51 -3.45 112.91 111.59 3cwa h THR 211 Ca 0.00 -2.09 -0.56 0.00 -0.55 0.00 0.00 66.41 63.20 3cwa h THR 211 Cb 0.11 2.17 0.11 0.00 -1.73 0.00 0.00 68.15 68.81 3cwa h THR 211 CO 0.00 0.36 0.52 0.49 -0.25 0.00 0.00 175.52 176.65 3cwa n PHE 212 N -3.00 2.29 -2.19 4.73 3.01 -0.46 -4.89 117.46 116.93 3cwa n PHE 212 Ca -0.06 0.53 -0.42 0.00 1.01 0.00 0.00 57.45 58.51 3cwa n PHE 212 Cb 0.81 -2.41 -0.03 0.00 -0.01 0.00 0.00 39.48 37.84 3cwa n PHE 212 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3cwa s PRO 213 N -2.00 4.25 0.00 -1.08 0.04 -1.26 -2.31 135.00 132.64 3cwa s PRO 213 Ca 0.57 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3cwa s PRO 213 Cb -0.54 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.33 3cwa s PRO 213 CO 0.61 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.41 3cwa n GLY 214 N 3.75 0.30 3.19 0.56 0.00 -1.26 -4.23 105.19 107.50 3cwa n GLY 214 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3cwa n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cwa s ILE 215 N -2.03 2.95 0.07 -0.61 1.01 -0.98 -5.01 121.20 116.61 3cwa s ILE 215 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.51 3cwa s ILE 215 Cb 0.00 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.90 3cwa s ILE 215 CO 0.00 0.08 0.07 0.61 0.00 0.00 0.00 174.94 175.70 3cwa n GLY 216 N 4.66 2.73 0.20 6.18 0.00 -1.26 -4.43 105.19 113.26 3cwa n GLY 216 Ca -0.15 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.63 3cwa n GLY 216 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cwa h ARG 217 N 0.00 0.55 -0.60 1.61 2.43 -1.96 -1.44 114.38 114.97 3cwa h ARG 217 Ca -0.04 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3cwa h ARG 217 Cb 0.17 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 3cwa h ARG 217 CO 0.07 0.37 0.30 2.35 -1.51 0.00 0.00 179.97 181.54 3cwa h TRP 218 N 0.57 0.54 -0.46 2.20 7.01 -1.96 0.15 115.95 124.01 3cwa h TRP 218 Ca 0.20 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.12 3cwa h TRP 218 Cb 0.02 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 3cwa h TRP 218 CO -0.07 0.23 -0.13 1.15 -2.79 0.00 0.00 178.44 176.83 3cwa h THR 219 N 0.55 1.26 0.12 2.65 2.02 -1.86 -1.39 112.91 116.26 3cwa h THR 219 Ca 0.28 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 3cwa h THR 219 Cb 0.23 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3cwa h THR 219 CO -0.21 0.42 -0.06 0.00 0.37 0.00 0.00 175.52 176.04 3cwa h ALA 220 N 1.09 -0.16 -0.29 6.16 0.00 -0.57 0.17 119.26 125.66 3cwa h ALA 220 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3cwa h ALA 220 Cb 0.64 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3cwa h ALA 220 CO 0.04 -0.49 -0.05 -0.91 0.00 0.00 0.00 179.25 177.85 3cwa h ASN 221 N -0.37 -0.22 -0.52 0.00 -0.26 -0.92 0.65 115.58 113.93 3cwa h ASN 221 Ca -0.02 0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 55.73 3cwa h ASN 221 Cb 0.30 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 3cwa h ASN 221 CO 0.03 -0.08 0.07 0.22 -1.06 0.00 0.00 177.43 176.61 3cwa h TYR 222 N 0.02 0.98 -0.44 1.19 3.20 -1.18 -0.85 116.97 119.89 3cwa h TYR 222 Ca 0.14 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3cwa h TYR 222 Cb 0.21 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3cwa h TYR 222 CO -0.26 0.85 0.13 0.35 -1.64 0.00 0.00 178.16 177.59 3cwa h PHE 223 N 0.87 0.73 -0.63 -3.82 3.57 0.07 -1.75 116.94 115.98 3cwa h PHE 223 Ca 0.17 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3cwa h PHE 223 Cb 0.42 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3cwa h PHE 223 CO 0.03 0.66 0.27 0.00 -2.23 0.00 0.00 178.31 177.04 3cwa h ALA 224 N 0.98 0.82 0.19 2.41 0.00 -0.57 1.27 119.26 124.36 3cwa h ALA 224 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3cwa h ALA 224 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3cwa h ALA 224 CO -0.00 0.41 -0.09 1.25 0.00 0.00 0.00 179.25 180.82 3cwa h LEU 225 N 0.88 -0.21 0.08 0.00 5.85 -0.97 -1.41 115.31 119.53 3cwa h LEU 225 Ca 0.21 -0.03 -0.37 0.00 0.84 0.00 0.00 57.88 58.53 3cwa h LEU 225 Cb 0.17 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3cwa h LEU 225 CO -0.02 -0.11 -2.18 0.54 -0.34 0.00 0.00 178.44 176.32 3cwa n ARG 226 N -5.18 0.72 -0.19 1.25 5.12 -0.67 -1.95 116.66 115.76 3cwa n ARG 226 Ca -0.09 0.22 -0.10 0.00 -1.93 0.00 0.00 57.85 55.95 3cwa n ARG 226 Cb 0.14 -1.64 0.01 0.00 -1.16 0.00 0.00 32.46 29.81 3cwa n ARG 226 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3cwa h GLY 227 N 1.50 1.13 -0.02 -0.13 0.00 0.15 -3.13 103.07 102.58 3cwa h GLY 227 Ca -0.48 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 45.94 3cwa h GLY 227 CO 0.02 0.83 -0.70 0.79 0.00 0.00 0.00 176.54 177.48 3cwa n TRP 228 N -4.15 0.00 -3.05 5.60 8.01 -0.84 -4.55 117.44 118.45 3cwa n TRP 228 Ca 0.02 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.98 3cwa n TRP 228 Cb 0.40 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.74 3cwa n TRP 228 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3cwa n GLN 229 N -1.33 -5.11 -1.77 -0.99 3.00 -0.82 -4.37 117.38 105.99 3cwa n GLN 229 Ca 0.03 0.91 -0.42 0.00 -0.01 0.00 0.00 57.00 57.50 3cwa n GLN 229 Cb 0.24 -5.77 -0.03 0.00 0.00 0.00 0.00 30.24 24.68 3cwa n GLN 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3cwa s ALA 230 N -3.19 3.70 -1.33 -1.58 0.00 -0.59 -4.90 121.76 113.86 3cwa s ALA 230 Ca 0.32 1.34 0.28 0.00 0.00 0.00 0.00 51.96 53.90 3cwa s ALA 230 Cb -0.14 -3.77 1.09 0.00 0.00 0.00 0.00 23.12 20.30 3cwa s ALA 230 CO 0.40 -1.28 1.79 1.63 0.00 0.00 0.00 175.76 178.30 3cwa n LYS 231 N 6.15 0.35 -2.48 0.00 4.76 -1.26 -4.33 118.16 121.35 3cwa n LYS 231 Ca 0.18 -0.11 -0.17 0.00 -2.87 0.00 0.00 58.31 55.33 3cwa n LYS 231 Cb 0.40 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.11 3cwa n LYS 231 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3cwa n ASP 232 N -1.23 3.42 -4.41 4.39 2.03 -1.26 -1.73 116.55 117.76 3cwa n ASP 232 Ca 0.11 -3.19 -0.31 0.00 0.52 0.00 0.00 54.79 51.91 3cwa n ASP 232 Cb 0.30 -0.45 -0.14 0.00 -0.72 0.00 0.00 41.12 40.11 3cwa n ASP 232 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3cwa s VAL 233 N -4.43 2.53 0.26 5.18 -7.23 -1.26 -4.64 120.40 110.81 3cwa s VAL 233 Ca 0.40 -1.20 0.11 0.00 -1.81 0.00 0.00 61.98 59.49 3cwa s VAL 233 Cb 0.40 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 3cwa s VAL 233 CO -0.05 0.40 -0.18 0.12 -0.31 0.00 0.00 175.10 175.07 3cwa s PHE 234 N -0.83 2.35 -0.72 2.82 5.36 -1.26 -2.79 117.98 122.91 3cwa s PHE 234 Ca 0.13 -0.32 0.04 0.00 -0.96 0.00 0.00 56.93 55.82 3cwa s PHE 234 Cb -0.10 -1.05 0.24 0.00 -0.34 0.00 0.00 43.02 41.76 3cwa s PHE 234 CO 0.03 0.66 0.79 1.28 -1.46 0.00 0.00 175.22 176.51 3cwa n LEU 235 N -0.44 3.96 0.00 6.12 4.32 -1.26 -4.91 117.00 124.79 3cwa n LEU 235 Ca -0.07 -5.36 0.04 0.00 -0.02 0.00 0.00 56.01 50.60 3cwa n LEU 235 Cb 0.59 -0.78 0.20 0.00 -1.62 0.00 0.00 43.42 41.81 3cwa n LEU 235 CO 0.36 1.94 0.59 -0.81 -1.22 0.00 0.00 177.39 178.25 3cwa n PRO 236 N 1.18 0.07 -0.23 3.23 -0.04 -1.26 -1.86 135.00 136.09 3cwa n PRO 236 Ca 0.27 0.27 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 3cwa n PRO 236 Cb 0.39 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.58 3cwa n PRO 236 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3cwa n ASP 237 N -1.37 3.47 -4.72 3.54 8.00 -1.26 -4.51 116.55 119.70 3cwa n ASP 237 Ca 0.03 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.15 3cwa n ASP 237 Cb 0.08 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 3cwa n ASP 237 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cwa s ASP 238 N -1.26 7.39 0.14 -2.24 2.15 -0.78 -4.95 116.67 117.13 3cwa s ASP 238 Ca 0.38 1.75 -0.28 0.00 0.43 0.00 0.00 52.55 54.84 3cwa s ASP 238 Cb 0.22 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 40.19 3cwa s ASP 238 CO 0.29 -0.20 1.49 0.22 -0.17 0.00 0.00 175.17 176.80 3cwa h TYR 239 N 6.28 -1.69 -0.67 -5.34 3.20 -1.93 0.16 116.97 116.98 3cwa h TYR 239 Ca -0.42 0.11 -0.08 0.00 3.14 0.00 0.00 58.73 61.49 3cwa h TYR 239 Cb 1.22 0.85 -0.03 0.00 1.54 0.00 0.00 36.73 40.31 3cwa h TYR 239 CO 0.67 -0.34 0.12 1.25 -1.64 0.00 0.00 178.16 178.21 3cwa h LEU 240 N -0.03 1.05 -0.90 2.82 5.85 -1.97 -2.76 115.31 119.37 3cwa h LEU 240 Ca 0.14 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3cwa h LEU 240 Cb 0.38 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3cwa h LEU 240 CO -0.82 1.03 0.58 0.40 -0.34 0.00 0.00 178.44 179.29 3cwa h ILE 241 N 1.03 1.12 -0.48 4.05 1.08 -1.43 -0.13 117.51 122.75 3cwa h ILE 241 Ca 0.21 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 3cwa h ILE 241 Cb 0.42 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 3cwa h ILE 241 CO 0.01 0.20 0.21 0.11 -0.69 0.00 0.00 178.15 178.00 3cwa h LYS 242 N 1.10 0.67 0.00 2.37 1.57 -0.48 -1.56 116.57 120.24 3cwa h LYS 242 Ca 0.37 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 3cwa h LYS 242 Cb 0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3cwa h LYS 242 CO -0.13 0.54 -0.46 1.96 -0.57 0.00 0.00 179.45 180.78 3cwa h GLN 243 N 0.67 0.00 0.00 3.15 4.20 -0.88 -3.00 115.11 119.25 3cwa h GLN 243 Ca 0.17 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 3cwa h GLN 243 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3cwa h GLN 243 CO -0.02 0.46 -0.63 0.00 -0.67 0.00 0.00 178.83 177.97 3cwa h ARG 244 N 0.00 0.00 -2.32 1.46 2.47 -0.15 -3.31 114.38 112.53 3cwa h ARG 244 Ca -0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.07 3cwa h ARG 244 Cb 0.95 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.89 3cwa h ARG 244 CO 0.06 0.63 -0.27 1.19 0.56 0.00 0.00 179.97 182.13 3cwa n PHE 245 N -3.46 3.55 -1.11 3.04 3.01 -0.82 -4.23 117.46 117.43 3cwa n PHE 245 Ca 0.00 -3.74 -0.43 0.00 1.01 0.00 0.00 57.45 54.28 3cwa n PHE 245 Cb 0.70 -0.68 -0.06 0.00 -0.01 0.00 0.00 39.48 39.43 3cwa n PHE 245 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3cwa n PRO 246 N 0.40 0.00 -1.81 -1.08 -0.02 -1.22 -1.32 135.00 129.95 3cwa n PRO 246 Ca 0.32 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.61 3cwa n PRO 246 Cb 0.38 -1.02 -0.06 0.00 -0.02 0.00 0.00 33.50 32.78 3cwa n PRO 246 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cwa n GLY 247 N 1.97 1.10 3.73 -1.23 0.00 -1.26 -4.98 105.19 104.52 3cwa n GLY 247 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3cwa n GLY 247 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cwa s MET 248 N -4.03 3.07 0.60 1.61 -1.94 -0.44 -5.11 119.30 113.06 3cwa s MET 248 Ca 0.00 -0.37 -0.09 0.00 -1.71 0.00 0.00 55.69 53.52 3cwa s MET 248 Cb 0.00 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 3cwa s MET 248 CO 0.00 0.71 0.98 0.95 -0.01 0.00 0.00 175.02 177.65 3cwa s THR 249 N -0.94 4.51 0.24 2.05 -4.23 -1.26 -4.83 115.64 111.18 3cwa s THR 249 Ca 0.15 0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 3cwa s THR 249 Cb -0.12 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.21 3cwa s THR 249 CO 0.04 -0.96 1.63 -0.65 -0.54 0.00 0.00 174.62 174.13 3cwa h PRO 250 N -0.23 0.07 -0.86 3.99 0.11 -2.00 -0.05 132.00 133.03 3cwa h PRO 250 Ca -0.45 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3cwa h PRO 250 Cb 1.21 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3cwa h PRO 250 CO 0.62 0.05 0.56 0.00 -0.21 0.00 0.00 178.00 179.02 3cwa h ALA 251 N 1.70 1.10 -0.55 -0.75 0.00 -1.93 0.13 119.26 118.96 3cwa h ALA 251 Ca 0.39 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3cwa h ALA 251 Cb 0.67 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3cwa h ALA 251 CO -0.67 0.52 0.07 1.96 0.00 0.00 0.00 179.25 181.12 3cwa h GLN 252 N 1.18 0.92 0.05 0.00 4.20 -1.49 0.12 115.11 120.07 3cwa h GLN 252 Ca 0.31 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3cwa h GLN 252 Cb -0.12 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.56 3cwa h GLN 252 CO -0.07 0.90 -0.02 0.82 -0.67 0.00 0.00 178.83 179.79 3cwa h ILE 253 N 0.80 1.04 -0.79 2.54 2.04 -0.52 -1.19 117.51 121.42 3cwa h ILE 253 Ca 0.16 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3cwa h ILE 253 Cb 0.44 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 3cwa h ILE 253 CO 0.01 0.07 0.52 -0.09 0.00 0.00 0.00 178.15 178.67 3cwa h ARG 254 N -0.18 0.96 -0.17 2.37 2.43 -0.59 0.50 114.38 119.70 3cwa h ARG 254 Ca -0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3cwa h ARG 254 Cb 0.16 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3cwa h ARG 254 CO 0.01 0.64 0.06 0.00 -1.51 0.00 0.00 179.97 179.17 3cwa h ARG 255 N 0.99 0.26 -0.54 0.20 2.47 -0.53 -2.99 114.38 114.25 3cwa h ARG 255 Ca 0.31 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.98 3cwa h ARG 255 Cb 0.02 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 3cwa h ARG 255 CO -0.09 0.37 0.36 -0.92 0.56 0.00 0.00 179.97 180.25 3cwa h TYR 256 N 0.10 0.68 0.00 3.04 5.03 -0.50 -2.59 116.97 122.74 3cwa h TYR 256 Ca 0.06 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.38 3cwa h TYR 256 Cb 0.21 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.26 3cwa h TYR 256 CO -0.00 0.43 0.00 0.00 -1.32 0.00 0.00 178.16 177.27 3cwa h ALA 257 N 1.20 1.00 0.00 1.82 0.00 -0.80 -2.66 119.26 119.81 3cwa h ALA 257 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3cwa h ALA 257 Cb -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3cwa h ALA 257 CO -0.04 0.00 -0.02 0.93 0.00 0.00 0.00 179.25 180.12 3cwa h GLU 258 N 0.00 0.00 0.00 0.00 5.08 -1.32 -1.52 114.58 116.82 3cwa h GLU 258 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cwa h GLU 258 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3cwa h GLU 258 CO 0.00 0.02 0.00 0.07 -1.00 0.00 0.00 179.01 178.10 3cwa h ARG 259 N 0.00 0.00 -0.22 2.33 0.11 -1.68 -2.30 114.38 112.61 3cwa h ARG 259 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3cwa h ARG 259 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3cwa h ARG 259 CO 0.00 0.00 0.00 0.91 0.10 0.00 0.00 179.97 180.98 3cwa n TRP 260 N -2.63 0.27 -1.77 4.08 8.01 -0.57 -4.95 117.44 119.87 3cwa n TRP 260 Ca -0.00 -0.14 -0.39 0.00 -1.31 0.00 0.00 57.50 55.66 3cwa n TRP 260 Cb 0.16 -0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.49 3cwa n TRP 260 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 3cwa s LYS 261 N -1.63 3.26 -0.24 -0.99 2.20 -0.87 -0.35 119.74 121.13 3cwa s LYS 261 Ca 0.32 2.30 0.07 0.00 -0.36 0.00 0.00 55.97 58.30 3cwa s LYS 261 Cb 0.20 -2.35 0.54 0.00 -1.51 0.00 0.00 37.83 34.71 3cwa s LYS 261 CO 0.29 -1.12 1.52 -0.35 -0.36 0.00 0.00 175.35 175.33 3cwa n PRO 262 N -0.83 2.96 -1.77 4.03 -0.04 -1.26 -4.91 135.00 133.17 3cwa n PRO 262 Ca 0.09 -2.22 -0.19 0.00 -0.04 0.00 0.00 63.50 61.14 3cwa n PRO 262 Cb 0.44 -1.96 0.05 0.00 -0.04 0.00 0.00 33.50 31.99 3cwa n PRO 262 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3cwa n TRP 263 N -0.06 2.28 0.06 0.54 7.02 0.53 -4.09 117.44 123.71 3cwa n TRP 263 Ca 0.30 -2.10 0.17 0.00 -1.02 0.00 0.00 57.50 54.86 3cwa n TRP 263 Cb 1.12 -0.33 0.68 0.00 -2.42 0.00 0.00 31.31 30.36 3cwa n TRP 263 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3cwa h ARG 264 N 1.97 0.00 -0.49 -0.99 3.08 -1.49 -1.46 114.38 115.00 3cwa h ARG 264 Ca 0.31 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.27 3cwa h ARG 264 Cb 1.45 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 3cwa h ARG 264 CO 0.63 0.00 -0.03 0.77 -1.07 0.00 0.00 179.97 180.27 3cwa h SER 265 N 0.00 0.82 -0.19 7.04 0.02 -1.16 0.69 113.55 120.77 3cwa h SER 265 Ca 0.19 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 3cwa h SER 265 Cb 0.78 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3cwa h SER 265 CO -0.00 0.90 -0.29 1.88 -1.14 0.00 0.00 176.83 178.18 3cwa h TYR 266 N 0.78 0.66 -0.68 3.45 0.05 -1.46 -2.25 116.97 117.52 3cwa h TYR 266 Ca 0.14 -0.22 0.11 0.00 0.05 0.00 0.00 58.73 58.82 3cwa h TYR 266 Cb 0.51 -0.13 -0.08 0.00 1.01 0.00 0.00 36.73 38.04 3cwa h TYR 266 CO 0.03 0.93 0.26 0.00 -1.05 0.00 0.00 178.16 178.33 3cwa h ALA 267 N 0.61 0.91 -0.59 3.88 0.00 -1.10 -0.67 119.26 122.31 3cwa h ALA 267 Ca 0.02 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3cwa h ALA 267 Cb 0.87 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3cwa h ALA 267 CO 0.07 -0.19 0.35 1.25 0.00 0.00 0.00 179.25 180.73 3cwa h LEU 268 N 0.43 0.56 -0.91 0.00 5.85 -0.70 -1.05 115.31 119.50 3cwa h LEU 268 Ca 0.36 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 59.01 3cwa h LEU 268 Cb 0.48 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3cwa h LEU 268 CO -0.35 0.39 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.05 3cwa h LEU 269 N 0.68 0.76 -0.30 2.25 3.38 -0.56 -0.35 115.31 121.17 3cwa h LEU 269 Ca 0.24 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3cwa h LEU 269 Cb 0.05 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3cwa h LEU 269 CO -0.11 0.84 -0.33 0.45 0.09 0.00 0.00 178.44 179.37 3cwa h HIS 270 N 0.73 0.92 -0.43 1.13 3.86 -0.83 -2.08 115.15 118.45 3cwa h HIS 270 Ca 0.14 -0.28 -0.11 0.00 -1.16 0.00 0.00 60.37 58.95 3cwa h HIS 270 Cb 0.47 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3cwa h HIS 270 CO 0.02 1.06 -0.19 0.82 0.86 0.00 0.00 177.93 180.50 3cwa h ILE 271 N 0.52 1.27 -0.62 2.45 2.04 -1.06 -2.71 117.51 119.40 3cwa h ILE 271 Ca 0.04 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 3cwa h ILE 271 Cb 0.92 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3cwa h ILE 271 CO 0.08 0.44 0.28 -0.50 0.00 0.00 0.00 178.15 178.46 3cwa h TRP 272 N 0.74 0.90 -0.93 1.37 6.55 -1.00 -3.04 115.95 120.54 3cwa h TRP 272 Ca 0.11 -0.05 -0.62 0.00 0.95 0.00 0.00 58.89 59.28 3cwa h TRP 272 Cb 0.71 -0.28 -0.27 0.00 -0.86 0.00 0.00 29.16 28.46 3cwa h TRP 272 CO 0.04 0.69 0.79 0.66 -1.05 0.00 0.00 178.44 179.58 3cwa n TYR 273 N -4.49 3.00 -3.38 0.49 4.02 -0.79 -4.62 117.16 111.39 3cwa n TYR 273 Ca 0.04 -2.75 -0.27 0.00 -0.01 0.00 0.00 57.90 54.91 3cwa n TYR 273 Cb 0.14 -1.33 -0.10 0.00 -0.02 0.00 0.00 39.34 38.02 3cwa n TYR 273 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3cwa s THR 274 N -4.32 0.24 0.17 -0.72 2.01 -1.04 -4.97 115.64 107.01 3cwa s THR 274 Ca 0.60 -2.39 -0.33 0.00 0.31 0.00 0.00 61.69 59.87 3cwa s THR 274 Cb 0.47 -1.18 -0.15 0.00 0.01 0.00 0.00 72.50 71.66 3cwa s THR 274 CO 0.01 -1.14 1.34 -0.62 -0.69 0.00 0.00 174.62 173.51 3cwa n GLU 275 N 3.09 1.57 -0.93 4.92 -0.58 -1.26 -1.41 120.64 126.04 3cwa n GLU 275 Ca 0.26 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 3cwa n GLU 275 Cb 0.46 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 3cwa n GLU 275 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cwa n GLY 276 N 2.39 0.92 3.74 0.62 0.00 -1.26 -5.01 105.19 106.59 3cwa n GLY 276 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3cwa n GLY 276 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cwa s TRP 277 N -3.66 2.25 -0.08 1.61 -0.00 -0.50 -5.02 118.94 113.53 3cwa s TRP 277 Ca 0.00 1.51 -0.21 0.00 -0.00 0.00 0.00 56.10 57.40 3cwa s TRP 277 Cb 0.00 -3.56 0.05 0.00 -0.00 0.00 0.00 33.47 29.95 3cwa s TRP 277 CO 0.00 -2.52 0.49 1.14 -0.00 0.00 0.00 176.95 176.06 3cwa s GLN 278 N -3.39 0.76 0.76 5.86 -2.07 -1.26 -4.79 119.66 115.53 3cwa s GLN 278 Ca 0.79 0.24 -0.12 0.00 -1.82 0.00 0.00 55.36 54.45 3cwa s GLN 278 Cb -0.33 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.00 3cwa s GLN 278 CO 0.36 -0.19 1.12 -1.25 -1.32 0.00 0.00 175.29 174.01 3cwa s PRO 279 N -0.77 2.17 1.08 9.60 0.04 -1.26 -5.05 135.00 140.81 3cwa s PRO 279 Ca -0.08 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 3cwa s PRO 279 Cb -0.03 -1.87 0.24 0.00 0.04 0.00 0.00 34.50 32.88 3cwa s PRO 279 CO 0.05 -1.74 1.22 -0.51 0.04 0.00 0.00 177.00 176.06 3cwa s ASP 280 N -2.92 2.02 -0.00 6.66 1.01 -1.26 -4.90 116.67 117.28 3cwa s ASP 280 Ca 0.65 0.43 0.00 0.00 0.71 0.00 0.00 52.55 54.35 3cwa s ASP 280 Cb -0.20 -0.57 0.01 0.00 1.01 0.00 0.00 42.92 43.17 3cwa s ASP 280 CO 0.52 -3.43 0.74 -0.62 0.21 0.00 0.00 175.17 172.59 3cwa n GLU 281 N -4.26 1.03 0.00 8.23 1.02 -1.26 -5.24 120.64 120.15 3cwa n GLU 281 Ca 0.14 -0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.38 3cwa n GLU 281 Cb 0.59 -1.27 0.26 0.00 -0.02 0.00 0.00 31.44 31.01 3cwa n GLU 281 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31