#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 2.97 -0.06 2.03 2.02 0.14 -4.82 117.35 119.63 3cwa s TYR 2 Ca 0.00 1.46 -0.03 0.00 -0.37 0.00 0.00 57.07 58.13 3cwa s TYR 2 Cb 0.00 -2.93 0.04 0.00 -0.40 0.00 0.00 41.96 38.67 3cwa s TYR 2 CO 0.00 -1.37 0.13 -0.08 -1.57 0.00 0.00 175.55 172.66 3cwa s THR 3 N -2.97 -0.05 0.08 -0.71 -1.32 -1.26 -0.68 115.64 108.74 3cwa s THR 3 Ca 0.59 0.18 0.09 0.00 -1.21 0.00 0.00 61.69 61.33 3cwa s THR 3 Cb -0.15 -0.22 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 3cwa s THR 3 CO 0.54 0.07 -0.23 -0.76 -2.21 0.00 0.00 174.62 172.03 3cwa s LEU 4 N 1.10 2.25 0.42 9.08 1.43 -0.07 -4.95 118.68 127.94 3cwa s LEU 4 Ca -0.09 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3cwa s LEU 4 Cb -0.11 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3cwa s LEU 4 CO -0.05 0.15 0.60 0.20 0.23 0.00 0.00 176.35 177.48 3cwa s ASN 5 N -1.63 5.80 0.09 2.29 -0.87 -1.26 0.23 114.94 119.60 3cwa s ASN 5 Ca 0.09 0.03 -0.12 0.00 -1.57 0.00 0.00 52.86 51.29 3cwa s ASN 5 Cb -0.10 -1.28 0.01 0.00 -0.02 0.00 0.00 41.25 39.87 3cwa s ASN 5 CO 0.04 -0.66 0.28 -1.66 -2.57 0.00 0.00 177.10 172.53 3cwa s TRP 6 N -2.42 -0.02 -0.22 2.20 -2.14 -1.12 -4.88 118.94 110.33 3cwa s TRP 6 Ca 0.49 -0.31 -0.10 0.00 2.66 0.00 0.00 56.10 58.84 3cwa s TRP 6 Cb -0.10 0.08 -0.05 0.00 -3.10 0.00 0.00 33.47 30.30 3cwa s TRP 6 CO 0.35 -0.58 0.13 -1.14 -2.66 0.00 0.00 176.95 173.05 3cwa s GLN 7 N -3.53 4.08 0.62 3.25 0.74 -1.26 -4.81 119.66 118.74 3cwa s GLN 7 Ca 0.02 -0.28 -0.18 0.00 0.05 0.00 0.00 55.36 54.98 3cwa s GLN 7 Cb 0.03 -3.43 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 3cwa s GLN 7 CO -0.10 0.17 1.19 -2.14 -0.55 0.00 0.00 175.29 173.87 3cwa s PRO 8 N 0.72 2.84 0.45 1.67 0.02 -1.26 -4.52 135.00 134.92 3cwa s PRO 8 Ca 0.07 1.76 -0.04 0.00 0.02 0.00 0.00 61.00 62.82 3cwa s PRO 8 Cb -0.13 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 3cwa s PRO 8 CO 0.02 -1.30 0.73 -1.25 -0.33 0.00 0.00 177.00 174.87 3cwa s PRO 9 N -3.50 3.47 -0.11 5.54 0.04 -1.26 -4.68 135.00 134.50 3cwa s PRO 9 Ca 0.76 0.03 -0.04 0.00 0.04 0.00 0.00 61.00 61.79 3cwa s PRO 9 Cb -0.29 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 31.85 3cwa s PRO 9 CO 0.36 -0.15 0.12 -0.47 0.04 0.00 0.00 177.00 176.90 3cwa s TYR 10 N -2.64 -0.01 -1.27 0.56 6.14 -1.26 -4.45 117.35 114.41 3cwa s TYR 10 Ca 0.46 0.17 -0.16 0.00 0.64 0.00 0.00 57.07 58.18 3cwa s TYR 10 Cb -0.10 -0.47 0.11 0.00 0.42 0.00 0.00 41.96 41.92 3cwa s TYR 10 CO 0.42 -0.36 1.64 -3.47 0.64 0.00 0.00 175.55 174.42 3cwa n ASP 11 N 5.30 5.03 0.26 4.32 -0.08 -0.04 -4.82 116.55 126.53 3cwa n ASP 11 Ca -0.05 -2.94 0.10 0.00 -1.51 0.00 0.00 54.79 50.39 3cwa n ASP 11 Cb 0.50 -1.68 0.71 0.00 2.34 0.00 0.00 41.12 42.99 3cwa n ASP 11 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3cwa h TRP 12 N 7.35 0.00 -0.20 -0.67 4.06 -1.98 -2.36 115.95 122.15 3cwa h TRP 12 Ca 0.40 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.16 3cwa h TRP 12 Cb 0.86 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.03 3cwa h TRP 12 CO 1.30 0.07 -0.63 0.77 -3.56 0.00 0.00 178.44 176.39 3cwa h SER 13 N 0.00 0.90 -0.11 -3.49 0.02 -1.90 -0.99 113.55 107.98 3cwa h SER 13 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3cwa h SER 13 Cb 0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3cwa h SER 13 CO 0.01 1.34 0.07 -0.25 -1.14 0.00 0.00 176.83 176.86 3cwa h TRP 14 N 0.52 0.14 0.14 3.45 7.01 -1.88 0.29 115.95 125.63 3cwa h TRP 14 Ca -0.02 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 3cwa h TRP 14 Cb 1.26 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 3cwa h TRP 14 CO 0.09 0.11 -0.07 1.98 -2.79 0.00 0.00 178.44 177.76 3cwa h MET 15 N 0.13 -0.19 -0.96 2.65 4.05 -1.43 0.55 114.93 119.74 3cwa h MET 15 Ca 0.04 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3cwa h MET 15 Cb 0.00 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 3cwa h MET 15 CO -0.01 -0.06 0.61 -0.07 0.23 0.00 0.00 176.91 177.61 3cwa h LEU 16 N -0.27 1.14 -0.63 3.39 3.38 -1.13 -0.51 115.31 120.67 3cwa h LEU 16 Ca -0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3cwa h LEU 16 Cb 0.21 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3cwa h LEU 16 CO 0.03 0.85 0.28 1.23 0.09 0.00 0.00 178.44 180.92 3cwa h GLY 17 N 1.32 0.99 0.99 0.83 0.00 -0.71 0.58 103.07 107.07 3cwa h GLY 17 Ca 0.35 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3cwa h GLY 17 CO -0.07 0.49 0.31 -2.75 0.00 0.00 0.00 176.54 174.52 3cwa h PHE 18 N 0.87 0.77 -0.42 5.60 3.04 -0.08 -2.02 116.94 124.70 3cwa h PHE 18 Ca 0.21 -0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.00 3cwa h PHE 18 Cb 0.16 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 3cwa h PHE 18 CO 0.01 0.55 -0.30 -0.07 -2.02 0.00 0.00 178.31 176.48 3cwa h LEU 19 N 0.76 1.00 -0.89 0.59 3.38 -0.85 -3.10 115.31 116.19 3cwa h LEU 19 Ca 0.20 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3cwa h LEU 19 Cb 0.04 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 3cwa h LEU 19 CO -0.03 1.22 0.56 0.00 0.09 0.00 0.00 178.44 180.27 3cwa h ALA 20 N 0.81 1.24 0.00 1.53 0.00 -0.63 0.34 119.26 122.54 3cwa h ALA 20 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3cwa h ALA 20 Cb 0.89 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3cwa h ALA 20 CO 0.08 0.30 -0.13 0.00 0.00 0.00 0.00 179.25 179.51 3cwa h ALA 21 N 1.42 1.49 -0.01 0.00 0.00 -1.29 -2.76 119.26 118.11 3cwa h ALA 21 Ca 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3cwa h ALA 21 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3cwa h ALA 21 CO -0.18 0.16 -0.37 0.54 0.00 0.00 0.00 179.25 179.41 3cwa n ARG 22 N -3.95 2.02 -1.52 0.00 1.74 -0.72 -4.57 116.66 109.67 3cwa n ARG 22 Ca -0.02 -0.56 -0.45 0.00 -0.77 0.00 0.00 57.85 56.04 3cwa n ARG 22 Cb 0.22 -1.18 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.44 -1.11 -3.02 7.54 0.00 0.11 -4.72 120.51 118.87 3cwa n ALA 23 Ca 0.05 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 3cwa n ALA 23 Cb 0.27 -1.88 -0.12 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.07 4.21 0.09 0.00 1.01 -1.26 -4.90 120.40 118.48 3cwa s VAL 24 Ca 0.60 -0.22 -0.34 0.00 0.00 0.00 0.00 61.98 62.02 3cwa s VAL 24 Cb -0.77 -2.92 -0.14 0.00 0.00 0.00 0.00 36.38 32.56 3cwa s VAL 24 CO 0.59 0.41 1.62 -1.20 0.00 0.00 0.00 175.10 176.52 3cwa n SER 25 N 4.28 3.00 0.00 3.32 7.64 -1.26 -0.90 113.62 129.70 3cwa n SER 25 Ca -0.17 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.78 3cwa n SER 25 Cb 0.52 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 3cwa n SER 25 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3cwa n SER 26 N 4.09 0.00 -0.10 6.43 7.64 -1.26 -4.79 113.62 125.62 3cwa n SER 26 Ca 0.19 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.89 3cwa n SER 26 Cb 0.27 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.93 1.50 -4.44 0.44 0.31 -0.22 -0.50 118.33 113.50 3cwa n VAL 27 Ca 0.00 -0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.04 3cwa n VAL 27 Cb 0.00 -2.13 -0.10 0.00 -0.91 0.00 0.00 33.84 30.70 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 -2.50 1.76 -0.10 5.55 2.02 -0.07 -1.82 118.70 123.54 3cwa s GLU 28 Ca -0.29 -1.68 -0.02 0.00 0.02 0.00 0.00 54.97 53.00 3cwa s GLU 28 Cb 0.07 -1.84 0.04 0.00 0.10 0.00 0.00 34.13 32.50 3cwa s GLU 28 CO 0.45 0.35 0.03 0.99 0.02 0.00 0.00 175.26 177.09 3cwa s THR 29 N -2.37 0.23 -0.09 3.63 2.01 0.19 -4.67 115.64 114.57 3cwa s THR 29 Ca 0.29 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.37 3cwa s THR 29 Cb -0.06 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 3cwa s THR 29 CO 0.15 0.10 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.32 3cwa s VAL 30 N 2.02 2.70 0.40 3.82 1.01 -1.26 -0.98 120.40 128.10 3cwa s VAL 30 Ca 0.04 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3cwa s VAL 30 Cb -0.13 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3cwa s VAL 30 CO -0.06 0.55 0.16 0.00 0.00 0.00 0.00 175.10 175.76 3cwa s ALA 31 N -0.01 2.76 -0.36 5.51 0.00 -0.14 -5.01 121.76 124.52 3cwa s ALA 31 Ca -0.05 -1.35 0.27 0.00 0.00 0.00 0.00 51.96 50.82 3cwa s ALA 31 Cb -0.15 0.89 0.81 0.00 0.00 0.00 0.00 23.12 24.67 3cwa s ALA 31 CO 0.05 -0.40 1.76 0.38 0.00 0.00 0.00 175.76 177.55 3cwa h ASP 32 N 1.83 0.00 -0.00 0.00 -0.00 -1.99 -3.29 116.42 112.97 3cwa h ASP 32 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.70 3cwa h ASP 32 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.60 3cwa h ASP 32 CO 0.52 0.00 -0.13 -1.54 -0.00 0.00 0.00 179.24 178.09 3cwa n SER 33 N -2.80 0.31 -3.83 4.15 3.41 -1.26 -4.90 113.62 108.71 3cwa n SER 33 Ca 0.03 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 57.90 3cwa n SER 33 Cb 0.41 0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 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 -1.17 -0.05 0.00 7.33 1.13 -1.24 -3.81 117.35 119.54 3cwa s TYR 34 Ca 0.02 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.38 3cwa s TYR 34 Cb 0.03 0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 41.34 3cwa s TYR 34 CO 0.12 -1.05 -0.10 -0.47 -2.51 0.00 0.00 175.55 171.54 3cwa s TYR 35 N -3.92 0.93 -0.07 -3.49 5.04 -0.41 -0.96 117.35 114.47 3cwa s TYR 35 Ca 0.13 -0.21 -0.15 0.00 -2.44 0.00 0.00 57.07 54.40 3cwa s TYR 35 Cb -0.03 -0.59 0.03 0.00 0.35 0.00 0.00 41.96 41.73 3cwa s TYR 35 CO 0.03 -0.01 0.36 0.00 -1.34 0.00 0.00 175.55 174.58 3cwa s ALA 36 N -0.36 -0.90 0.18 3.97 0.00 -0.16 0.10 121.76 124.60 3cwa s ALA 36 Ca 0.03 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 3cwa s ALA 36 Cb -0.05 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.91 3cwa s ALA 36 CO -0.00 -0.23 0.87 -0.98 0.00 0.00 0.00 175.76 175.42 3cwa s ARG 37 N -0.68 1.35 0.72 0.00 1.70 -0.32 0.55 118.95 122.27 3cwa s ARG 37 Ca -0.08 -0.72 -0.11 0.00 -0.47 0.00 0.00 55.73 54.35 3cwa s ARG 37 Cb -0.04 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 3cwa s ARG 37 CO 0.03 -0.61 1.07 -1.54 -1.08 0.00 0.00 175.30 173.16 3cwa s SER 38 N -2.90 5.13 -0.28 -2.89 1.04 -0.75 -0.95 113.70 112.09 3cwa s SER 38 Ca 0.11 1.59 -0.15 0.00 0.48 0.00 0.00 55.95 57.97 3cwa s SER 38 Cb -0.03 -2.42 0.09 0.00 0.10 0.00 0.00 66.02 63.76 3cwa s SER 38 CO 0.02 -1.60 0.70 -0.22 0.98 0.00 0.00 173.24 173.12 3cwa s LEU 39 N -5.63 -0.96 -0.12 2.42 2.96 -0.53 -4.80 118.68 112.02 3cwa s LEU 39 Ca 0.59 1.49 0.03 0.00 -0.22 0.00 0.00 54.13 56.02 3cwa s LEU 39 Cb -0.14 2.35 -0.00 0.00 0.50 0.00 0.00 46.19 48.89 3cwa s LEU 39 CO 0.55 -0.23 -0.21 0.00 -1.32 0.00 0.00 176.35 175.14 3cwa s ALA 40 N 1.81 2.30 -0.39 5.97 0.00 -1.26 -2.32 121.76 127.87 3cwa s ALA 40 Ca -0.09 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.89 3cwa s ALA 40 Cb -0.06 -0.97 0.12 0.00 0.00 0.00 0.00 23.12 22.21 3cwa s ALA 40 CO -0.20 0.18 0.16 0.08 0.00 0.00 0.00 175.76 175.98 3cwa s VAL 41 N 0.50 1.56 0.00 0.00 1.01 -0.51 -5.00 120.40 117.96 3cwa s VAL 41 Ca -0.13 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 59.60 3cwa s VAL 41 Cb -0.17 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.09 3cwa s VAL 41 CO 0.05 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.00 3cwa n GLY 42 N 4.03 1.78 1.00 4.51 0.00 -1.26 -1.90 105.19 113.35 3cwa n GLY 42 Ca 0.04 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 12.83 2.26 -3.55 1.61 4.71 -1.26 -4.87 120.64 132.38 3cwa n GLU 43 Ca 0.00 -1.95 -0.38 0.00 -0.01 0.00 0.00 57.16 54.82 3cwa n GLU 43 Cb 0.00 -1.43 -0.06 0.00 -1.01 0.00 0.00 31.44 28.94 3cwa n GLU 43 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3cwa s TYR 44 N -1.30 3.69 0.01 -0.32 2.02 -0.80 -5.09 117.35 115.56 3cwa s TYR 44 Ca 0.37 0.90 -0.07 0.00 -0.37 0.00 0.00 57.07 57.90 3cwa s TYR 44 Cb 0.19 -2.26 -0.00 0.00 -0.40 0.00 0.00 41.96 39.49 3cwa s TYR 44 CO 0.25 0.61 0.13 1.03 -1.57 0.00 0.00 175.55 176.00 3cwa s ARG 45 N -0.90 0.52 0.00 -0.62 0.52 -1.23 -1.42 118.95 115.81 3cwa s ARG 45 Ca 0.22 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 3cwa s ARG 45 Cb -0.16 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.52 3cwa s ARG 45 CO 0.11 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.72 3cwa n GLY 46 N 1.23 -0.66 3.22 -3.53 0.00 -0.98 -3.72 105.19 100.75 3cwa n GLY 46 Ca -0.22 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.00 1.80 -0.08 1.61 1.01 -1.26 -1.45 120.40 119.03 3cwa s VAL 47 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3cwa s VAL 47 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3cwa s VAL 47 CO 0.00 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 3cwa s VAL 48 N -0.16 3.38 -0.14 2.92 1.01 -0.13 -1.54 120.40 125.74 3cwa s VAL 48 Ca -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3cwa s VAL 48 Cb -0.12 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.92 3cwa s VAL 48 CO 0.02 0.58 -0.07 -0.89 0.00 0.00 0.00 175.10 174.74 3cwa s THR 49 N -0.53 1.14 -0.23 3.92 2.01 -0.66 -1.18 115.64 120.11 3cwa s THR 49 Ca 0.07 -0.50 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 3cwa s THR 49 Cb -0.12 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 3cwa s THR 49 CO 0.02 0.26 0.09 0.00 -0.69 0.00 0.00 174.62 174.30 3cwa s ALA 50 N 1.64 3.32 -0.26 7.40 0.00 0.28 -1.38 121.76 132.77 3cwa s ALA 50 Ca 0.03 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3cwa s ALA 50 Cb -0.14 -2.10 0.07 0.00 0.00 0.00 0.00 23.12 20.95 3cwa s ALA 50 CO -0.08 -0.26 -0.03 0.42 0.00 0.00 0.00 175.76 175.81 3cwa s ILE 51 N 1.19 1.62 0.51 0.00 1.01 0.17 -1.28 121.20 124.42 3cwa s ILE 51 Ca 0.05 -1.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.09 3cwa s ILE 51 Cb -0.14 -1.94 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 3cwa s ILE 51 CO 0.04 -0.21 1.05 -2.16 0.00 0.00 0.00 174.94 173.66 3cwa s PRO 52 N 1.33 3.67 -0.34 2.79 0.04 -1.25 -0.96 135.00 140.28 3cwa s PRO 52 Ca -0.03 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.39 3cwa s PRO 52 Cb -0.19 -2.07 0.11 0.00 0.04 0.00 0.00 34.50 32.38 3cwa s PRO 52 CO -0.08 -0.54 0.11 0.34 0.04 0.00 0.00 177.00 176.87 3cwa s ASP 53 N -2.09 4.21 0.08 6.66 3.68 0.59 -4.91 116.67 124.90 3cwa s ASP 53 Ca 0.67 -1.97 -0.28 0.00 2.13 0.00 0.00 52.55 53.10 3cwa s ASP 53 Cb -0.17 -1.14 -0.16 0.00 -1.45 0.00 0.00 42.92 40.00 3cwa s ASP 53 CO 0.23 -0.38 1.67 0.40 0.13 0.00 0.00 175.17 177.23 3cwa h ILE 54 N 6.33 0.60 -0.56 4.11 1.08 -1.96 -0.17 117.51 126.94 3cwa h ILE 54 Ca -0.09 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.47 3cwa h ILE 54 Cb 1.00 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 3cwa h ILE 54 CO 0.49 0.00 0.38 0.00 -0.69 0.00 0.00 178.15 178.33 3cwa h ALA 55 N 0.16 2.03 -0.14 1.87 0.00 -1.96 -1.66 119.26 119.55 3cwa h ALA 55 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3cwa h ALA 55 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3cwa h ALA 55 CO 0.04 -0.15 0.00 -2.13 0.00 0.00 0.00 179.25 177.02 3cwa n ARG 56 N -4.47 2.32 -4.12 0.00 0.63 -1.14 -4.98 116.66 104.90 3cwa n ARG 56 Ca 0.09 -2.02 -0.45 0.00 -0.92 0.00 0.00 57.85 54.56 3cwa n ARG 56 Cb 0.35 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.80 3cwa n ARG 56 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 3cwa n HIS 57 N 1.37 -1.32 -4.00 -0.14 -0.00 -0.12 -4.96 115.22 106.04 3cwa n HIS 57 Ca 0.15 0.12 -0.08 0.00 -0.00 0.00 0.00 57.72 57.91 3cwa n HIS 57 Cb 0.59 -2.71 -0.10 0.00 -0.00 0.00 0.00 29.99 27.78 3cwa n HIS 57 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3cwa s THR 58 N -3.68 0.16 -0.14 0.61 2.01 -0.92 -2.80 115.64 110.88 3cwa s THR 58 Ca 0.42 -1.31 0.01 0.00 0.31 0.00 0.00 61.69 61.12 3cwa s THR 58 Cb -0.23 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.33 3cwa s THR 58 CO 0.96 -0.72 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.78 3cwa s LEU 59 N -2.26 1.84 -0.14 4.42 2.96 0.14 -0.30 118.68 125.34 3cwa s LEU 59 Ca -0.03 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.18 3cwa s LEU 59 Cb 0.00 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 3cwa s LEU 59 CO -0.06 -0.01 0.43 -1.00 -1.32 0.00 0.00 176.35 174.40 3cwa s HIS 60 N 1.23 3.49 -0.11 5.38 3.76 -0.13 -0.89 115.29 128.01 3cwa s HIS 60 Ca 0.00 0.80 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 3cwa s HIS 60 Cb -0.14 -2.51 -0.01 0.00 1.11 0.00 0.00 32.58 31.04 3cwa s HIS 60 CO -0.08 0.16 -0.20 0.42 -0.85 0.00 0.00 174.74 174.20 3cwa s ILE 61 N 0.68 2.44 -0.03 0.60 -1.09 0.14 -0.65 121.20 123.29 3cwa s ILE 61 Ca 0.23 -0.88 0.05 0.00 -2.23 0.00 0.00 60.65 57.82 3cwa s ILE 61 Cb -0.15 -1.97 -0.02 0.00 -1.58 0.00 0.00 42.46 38.74 3cwa s ILE 61 CO 0.09 0.55 -0.17 0.21 -1.23 0.00 0.00 174.94 174.38 3cwa s ASN 62 N 0.32 3.77 -0.05 3.58 2.47 -0.48 -0.68 114.94 123.87 3cwa s ASN 62 Ca -0.15 -0.28 0.06 0.00 0.42 0.00 0.00 52.86 52.90 3cwa s ASN 62 Cb -0.17 -0.70 -0.01 0.00 -1.45 0.00 0.00 41.25 38.92 3cwa s ASN 62 CO 0.08 0.33 -0.22 -0.76 -3.72 0.00 0.00 177.10 172.81 3cwa s LEU 63 N -0.76 2.01 0.62 3.21 1.43 -1.26 -1.65 118.68 122.28 3cwa s LEU 63 Ca 0.11 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 3cwa s LEU 63 Cb -0.10 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 3cwa s LEU 63 CO 0.01 0.21 1.13 -0.94 0.23 0.00 0.00 176.35 176.99 3cwa s SER 64 N -0.14 5.24 0.50 2.29 1.04 -0.59 -4.86 113.70 117.18 3cwa s SER 64 Ca -0.02 2.12 0.36 0.00 0.48 0.00 0.00 55.95 58.89 3cwa s SER 64 Cb -0.12 -2.57 1.51 0.00 0.10 0.00 0.00 66.02 64.94 3cwa s SER 64 CO 0.02 -1.54 1.68 0.00 0.98 0.00 0.00 173.24 174.38 3cwa h ALA 65 N 0.46 3.10 0.00 5.32 0.00 -1.92 -1.11 119.26 125.12 3cwa h ALA 65 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cwa h ALA 65 Cb 1.26 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3cwa h ALA 65 CO 0.55 -1.61 0.00 0.41 0.00 0.00 0.00 179.25 178.60 3cwa n GLY 66 N -1.70 -1.24 0.25 0.00 0.00 -1.26 -2.91 105.19 98.34 3cwa n GLY 66 Ca 0.35 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.12 1.47 -0.34 0.99 4.77 -0.42 -3.58 117.00 117.77 3cwa n LEU 67 Ca 0.02 -0.65 0.08 0.00 -0.03 0.00 0.00 56.01 55.43 3cwa n LEU 67 Cb 0.22 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.58 3cwa n LEU 67 CO 0.19 0.30 1.23 -0.08 -1.33 0.00 0.00 177.39 177.70 3cwa h GLU 68 N 1.25 0.92 0.00 3.23 4.57 -1.63 -1.76 114.58 121.16 3cwa h GLU 68 Ca 0.00 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3cwa h GLU 68 Cb 0.59 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3cwa h GLU 68 CO 0.00 0.61 -0.02 -1.35 -1.18 0.00 0.00 179.01 177.07 3cwa h PRO 69 N 0.95 0.00 -0.84 0.92 0.11 -1.81 -2.32 132.00 129.00 3cwa h PRO 69 Ca 0.47 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 66.01 3cwa h PRO 69 Cb 0.49 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.19 3cwa h PRO 69 CO -0.24 0.02 -0.52 1.33 -0.21 0.00 0.00 178.00 178.38 3cwa n VAL 70 N -4.35 2.71 -0.01 3.15 0.24 -0.70 -4.86 118.33 114.51 3cwa n VAL 70 Ca -0.03 -4.05 -0.14 0.00 -2.04 0.00 0.00 64.34 58.08 3cwa n VAL 70 Cb 0.10 -1.15 -0.09 0.00 -1.47 0.00 0.00 33.84 31.24 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 2.18 -0.79 -0.63 2.33 0.00 -0.98 -2.19 119.26 119.18 3cwa h ALA 71 Ca 0.41 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.45 3cwa h ALA 71 Cb 1.37 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 20.08 3cwa h ALA 71 CO 0.91 -1.04 0.44 0.00 0.00 0.00 0.00 179.25 179.56 3cwa h ALA 72 N -0.16 2.48 -0.13 0.00 0.00 -1.89 0.70 119.26 120.27 3cwa h ALA 72 Ca 0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 3cwa h ALA 72 Cb 0.67 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3cwa h ALA 72 CO -0.43 -0.66 -0.78 1.49 0.00 0.00 0.00 179.25 178.87 3cwa h GLU 73 N 0.08 0.76 -0.37 0.00 4.22 -1.81 -1.65 114.58 115.81 3cwa h GLU 73 Ca 0.30 -0.64 0.01 0.00 0.08 0.00 0.00 59.36 59.11 3cwa h GLU 73 Cb 1.09 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3cwa h GLU 73 CO -0.03 1.25 0.23 0.00 -2.18 0.00 0.00 179.01 178.28 3cwa h LEU 75 N 0.46 0.53 -0.89 0.00 3.38 -1.17 -0.12 115.31 117.50 3cwa h LEU 75 Ca 0.14 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3cwa h LEU 75 Cb -0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3cwa h LEU 75 CO -0.06 0.36 0.48 0.00 0.09 0.00 0.00 178.44 179.31 3cwa h ALA 76 N 1.30 1.15 -0.30 1.53 0.00 -0.62 0.26 119.26 122.57 3cwa h ALA 76 Ca 0.26 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3cwa h ALA 76 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3cwa h ALA 76 CO -0.14 0.66 -0.29 0.87 0.00 0.00 0.00 179.25 180.35 3cwa h LYS 77 N 1.25 0.63 -0.46 0.00 1.57 -0.14 -2.48 116.57 116.94 3cwa h LYS 77 Ca 0.31 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 3cwa h LYS 77 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3cwa h LYS 77 CO -0.05 0.85 -0.13 1.98 -0.57 0.00 0.00 179.45 181.52 3cwa h MET 78 N 0.54 0.90 0.00 3.15 4.05 -0.33 -1.68 114.93 121.56 3cwa h MET 78 Ca 0.07 -0.36 -0.04 0.00 -0.28 0.00 0.00 59.70 59.09 3cwa h MET 78 Cb 0.77 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 3cwa h MET 78 CO 0.06 1.01 -0.21 0.66 0.23 0.00 0.00 176.91 178.67 3cwa h SER 79 N 0.74 0.00 0.31 1.39 4.64 -0.82 -1.45 113.55 118.36 3cwa h SER 79 Ca 0.11 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.15 3cwa h SER 79 Cb 0.69 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.80 3cwa h SER 79 CO 0.05 0.21 -1.19 0.03 -0.87 0.00 0.00 176.83 175.06 3cwa h ARG 80 N 0.00 0.48 -0.50 4.77 3.08 -1.16 -1.15 114.38 119.90 3cwa h ARG 80 Ca -0.00 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.38 3cwa h ARG 80 Cb 0.59 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3cwa h ARG 80 CO 0.03 1.28 0.29 1.25 -1.07 0.00 0.00 179.97 181.74 3cwa h LEU 81 N 0.21 0.62 -1.56 3.04 5.85 -0.78 -3.07 115.31 119.61 3cwa h LEU 81 Ca -0.15 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3cwa h LEU 81 Cb 1.87 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3cwa h LEU 81 CO 0.22 0.52 0.00 0.49 -0.34 0.00 0.00 178.44 179.32 3cwa n PHE 82 N -4.67 0.22 -3.76 1.25 3.72 -0.59 -1.03 117.46 112.59 3cwa n PHE 82 Ca 0.02 -0.11 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 3cwa n PHE 82 Cb 0.07 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.80 -2.69 0.30 4.37 2.03 -0.48 -4.82 116.55 116.06 3cwa n ASP 83 Ca 0.17 -0.79 0.20 0.00 0.52 0.00 0.00 54.79 54.89 3cwa n ASP 83 Cb 0.46 -4.07 0.99 0.00 -0.72 0.00 0.00 41.12 37.77 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 -1.99 0.00 -1.00 -2.67 3.38 -1.77 -2.59 115.31 108.67 3cwa h LEU 84 Ca -0.60 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.29 3cwa h LEU 84 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3cwa h LEU 84 CO 0.60 0.00 -0.40 0.06 0.09 0.00 0.00 178.44 178.79 3cwa h GLN 85 N 0.00 0.00 -6.54 1.13 -0.00 -1.88 -3.41 115.11 104.41 3cwa h GLN 85 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 3cwa h GLN 85 Cb 0.16 0.00 0.09 0.00 -0.00 0.00 0.00 27.48 27.73 3cwa h GLN 85 CO 0.00 0.40 0.48 0.00 -0.00 0.00 0.00 178.83 179.71 3cwa s ASN 87 N 0.08 5.53 0.44 0.00 3.84 -1.26 -4.48 114.94 119.10 3cwa s ASN 87 Ca 0.67 -1.93 0.12 0.00 0.21 0.00 0.00 52.86 51.93 3cwa s ASN 87 Cb -0.69 -1.94 1.00 0.00 -0.55 0.00 0.00 41.25 39.07 3cwa s ASN 87 CO 0.52 -0.63 2.04 1.55 -2.79 0.00 0.00 177.10 177.80 3cwa h PRO 88 N 8.30 0.39 -0.85 0.43 0.13 -1.83 -2.42 132.00 136.15 3cwa h PRO 88 Ca -0.18 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.98 3cwa h PRO 88 Cb 1.06 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.05 3cwa h PRO 88 CO 0.79 0.26 0.53 1.96 -0.23 0.00 0.00 178.00 181.31 3cwa h GLN 89 N 0.40 0.94 0.07 0.86 4.20 -1.93 0.19 115.11 119.85 3cwa h GLN 89 Ca 0.18 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 3cwa h GLN 89 Cb 0.23 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3cwa h GLN 89 CO -0.04 0.63 -0.03 0.82 -0.67 0.00 0.00 178.83 179.53 3cwa h ILE 90 N 0.97 1.11 0.01 2.54 2.04 -1.86 -1.95 117.51 120.38 3cwa h ILE 90 Ca 0.37 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3cwa h ILE 90 Cb 0.16 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3cwa h ILE 90 CO -0.17 0.15 -0.01 0.58 0.00 0.00 0.00 178.15 178.71 3cwa h VAL 91 N -0.37 1.20 -0.90 1.67 2.07 -1.36 -2.97 116.25 115.60 3cwa h VAL 91 Ca -0.01 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3cwa h VAL 91 Cb 0.32 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3cwa h VAL 91 CO 0.02 0.17 0.48 0.78 0.02 0.00 0.00 177.57 179.04 3cwa h ASN 92 N -0.30 1.13 0.37 0.57 2.35 -0.72 0.46 115.58 119.44 3cwa h ASN 92 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3cwa h ASN 92 Cb 0.29 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3cwa h ASN 92 CO 0.00 0.92 0.00 0.61 -1.65 0.00 0.00 177.43 177.31 3cwa n GLY 93 N -1.11 -0.86 0.13 2.83 0.00 -0.73 -1.01 105.19 104.44 3cwa n GLY 93 Ca 0.09 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.47 1.35 0.66 4.61 0.00 -0.33 -4.43 120.51 120.89 3cwa n ALA 94 Ca 0.03 -1.10 0.13 0.00 0.00 0.00 0.00 53.44 52.50 3cwa n ALA 94 Cb 0.13 -0.02 0.44 0.00 0.00 0.00 0.00 19.45 20.00 3cwa n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cwa n LEU 95 N -3.63 0.67 0.00 0.00 4.77 0.00 -4.98 117.00 113.84 3cwa n LEU 95 Ca -0.49 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3cwa n LEU 95 Cb 0.95 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3cwa n LEU 95 CO 0.18 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 3cwa n GLY 96 N 1.18 3.18 0.27 -0.72 0.00 -0.18 -2.80 105.19 106.12 3cwa n GLY 96 Ca 0.05 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.11 -1.13 1.61 9.65 -1.93 -2.14 114.38 120.55 3cwa h ARG 97 Ca 0.00 -0.01 0.31 0.00 -1.10 0.00 0.00 59.98 59.19 3cwa h ARG 97 Cb 0.00 -0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 28.46 3cwa h ARG 97 CO 0.00 0.07 0.74 1.25 2.80 0.00 0.00 179.97 184.84 3cwa h LEU 98 N 0.12 0.32 0.00 3.80 5.85 -1.92 -2.05 115.31 121.43 3cwa h LEU 98 Ca 0.40 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.19 3cwa h LEU 98 Cb 0.69 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3cwa h LEU 98 CO -0.63 0.02 -1.35 0.61 -0.34 0.00 0.00 178.44 176.75 3cwa n GLY 99 N -1.54 -0.90 0.50 3.75 0.00 -0.82 -4.52 105.19 101.65 3cwa n GLY 99 Ca 0.28 -0.53 0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 2.43 2.91 -0.01 4.61 0.00 -1.17 -1.29 119.26 126.74 3cwa h ALA 100 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3cwa h ALA 100 Cb 0.66 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3cwa h ALA 100 CO 0.00 -1.30 -0.89 0.00 0.00 0.00 0.00 179.25 177.06 3cwa h ALA 101 N 1.38 0.46 -2.05 0.00 0.00 -1.80 -3.38 119.26 113.87 3cwa h ALA 101 Ca 0.48 -0.70 -0.52 0.00 0.00 0.00 0.00 54.91 54.16 3cwa h ALA 101 Cb 2.03 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.37 3cwa h ALA 101 CO -0.01 0.85 -1.06 0.54 0.00 0.00 0.00 179.25 179.57 3cwa n ARG 102 N -3.72 1.35 0.09 0.00 1.74 -0.52 -4.95 116.66 110.64 3cwa n ARG 102 Ca -0.05 -3.64 0.05 0.00 -0.77 0.00 0.00 57.85 53.43 3cwa n ARG 102 Cb 0.81 -1.71 0.25 0.00 -1.02 0.00 0.00 32.46 30.78 3cwa n ARG 102 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3cwa n PRO 103 N 0.48 0.06 -0.13 5.56 -0.04 -0.98 -0.74 135.00 139.20 3cwa n PRO 103 Ca 0.25 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.32 3cwa n PRO 103 Cb 0.58 -1.86 0.29 0.00 -0.04 0.00 0.00 33.50 32.46 3cwa n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cwa n GLY 104 N -1.32 0.97 3.70 0.55 0.00 -1.26 -4.68 105.19 103.14 3cwa n GLY 104 Ca -0.01 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 0.89 3.52 -4.31 0.99 -0.00 0.08 -0.86 117.00 117.31 3cwa n LEU 105 Ca 0.17 1.15 -0.16 0.00 -0.00 0.00 0.00 56.01 57.17 3cwa n LEU 105 Cb 0.46 -1.48 -0.10 0.00 -0.00 0.00 0.00 43.42 42.30 3cwa n LEU 105 CO 0.14 -0.31 -0.35 -0.13 -0.00 0.00 0.00 177.39 176.73 3cwa s ARG 106 N -0.66 1.26 -0.35 1.96 1.81 -1.26 -4.92 118.95 116.79 3cwa s ARG 106 Ca 0.65 -1.61 -0.20 0.00 -1.72 0.00 0.00 55.73 52.85 3cwa s ARG 106 Cb -0.59 -0.63 0.00 0.00 -0.45 0.00 0.00 34.95 33.28 3cwa s ARG 106 CO 0.51 -0.04 0.64 -1.17 -0.68 0.00 0.00 175.30 174.56 3cwa s LEU 107 N -3.27 4.25 -0.13 2.53 2.96 -1.26 -5.01 118.68 118.74 3cwa s LEU 107 Ca 0.25 0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 3cwa s LEU 107 Cb 0.05 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 3cwa s LEU 107 CO 0.06 -0.59 1.41 -2.84 -1.32 0.00 0.00 176.35 173.08 3cwa s PRO 108 N 2.71 4.19 0.00 0.98 0.02 -1.26 -4.18 135.00 137.46 3cwa s PRO 108 Ca 0.25 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.10 3cwa s PRO 108 Cb -0.14 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.52 3cwa s PRO 108 CO 0.15 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 3cwa n GLY 109 N 3.84 1.58 3.35 0.52 0.00 -0.20 -4.67 105.19 109.61 3cwa n GLY 109 Ca 0.15 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.26 0.03 -3.65 0.00 3.14 -1.26 -3.69 118.33 112.64 3cwa n VAL 111 Ca -0.04 -0.22 -0.03 0.00 -2.96 0.00 0.00 64.34 61.10 3cwa n VAL 111 Cb 0.63 0.51 -0.05 0.00 -1.06 0.00 0.00 33.84 33.87 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 -3.70 -1.02 0.36 6.55 2.15 -1.26 -4.87 116.67 114.88 3cwa s ASP 112 Ca 0.02 1.50 0.09 0.00 0.43 0.00 0.00 52.55 54.58 3cwa s ASP 112 Cb 0.15 2.07 0.81 0.00 -0.30 0.00 0.00 42.92 45.65 3cwa s ASP 112 CO 0.87 -0.22 1.89 0.00 -0.17 0.00 0.00 175.17 177.54 3cwa h ALA 113 N 7.87 1.82 -0.16 3.66 0.00 -1.80 -1.72 119.26 128.94 3cwa h ALA 113 Ca -0.20 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3cwa h ALA 113 Cb 1.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3cwa h ALA 113 CO 0.11 -0.03 0.05 0.35 0.00 0.00 0.00 179.25 179.73 3cwa h PHE 114 N 0.70 0.25 -0.39 0.00 3.57 -1.92 -0.36 116.94 118.79 3cwa h PHE 114 Ca 0.42 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.95 3cwa h PHE 114 Cb 0.63 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 3cwa h PHE 114 CO -0.00 0.36 0.09 1.49 -2.23 0.00 0.00 178.31 178.02 3cwa h GLU 115 N 0.07 0.22 -0.70 1.11 4.81 -1.77 -0.30 114.58 118.03 3cwa h GLU 115 Ca 0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3cwa h GLU 115 Cb 0.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3cwa h GLU 115 CO -0.00 0.15 0.38 0.37 -0.73 0.00 0.00 179.01 179.18 3cwa h GLN 116 N 0.23 0.96 -0.84 1.92 5.75 -1.16 0.18 115.11 122.15 3cwa h GLN 116 Ca 0.19 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3cwa h GLN 116 Cb 0.21 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3cwa h GLN 116 CO -0.23 0.70 0.42 0.78 -2.65 0.00 0.00 178.83 177.85 3cwa h GLY 117 N 1.01 1.29 0.85 2.39 0.00 0.23 0.17 103.07 109.01 3cwa h GLY 117 Ca 0.25 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 3cwa h GLY 117 CO -0.04 0.60 -0.07 -2.08 0.00 0.00 0.00 176.54 174.94 3cwa h VAL 118 N 1.19 1.29 -0.36 4.60 2.07 0.20 -2.75 116.25 122.49 3cwa h VAL 118 Ca 0.29 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3cwa h VAL 118 Cb 0.10 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3cwa h VAL 118 CO -0.04 0.34 0.14 0.03 0.02 0.00 0.00 177.57 178.06 3cwa h ARG 119 N 0.23 0.29 -0.12 1.57 3.08 -0.14 -2.18 114.38 117.09 3cwa h ARG 119 Ca 0.06 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3cwa h ARG 119 Cb 0.55 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3cwa h ARG 119 CO 0.03 0.19 -0.04 0.00 -1.07 0.00 0.00 179.97 179.08 3cwa h ALA 120 N 1.22 0.07 0.11 0.04 0.00 -0.69 -1.27 119.26 118.75 3cwa h ALA 120 Ca 0.16 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3cwa h ALA 120 Cb 0.12 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3cwa h ALA 120 CO -0.16 -0.49 -0.20 0.82 0.00 0.00 0.00 179.25 179.22 3cwa h ILE 121 N -0.01 0.55 0.00 0.00 2.04 -1.31 -1.28 117.51 117.50 3cwa h ILE 121 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3cwa h ILE 121 Cb 0.11 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3cwa h ILE 121 CO -0.13 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.20 3cwa n LEU 122 N -5.32 0.33 -0.49 1.44 4.77 -0.84 -1.19 117.00 115.70 3cwa n LEU 122 Ca -0.07 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 3cwa n LEU 122 Cb 0.24 -0.62 0.51 0.00 -2.33 0.00 0.00 43.42 41.22 3cwa n LEU 122 CO 0.27 -0.60 0.86 0.61 -1.33 0.00 0.00 177.39 177.21 3cwa n GLY 123 N -0.76 0.03 3.72 -0.72 0.00 -0.49 -4.59 105.19 102.38 3cwa n GLY 123 Ca 0.01 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.99 4.27 0.00 1.61 -0.21 -0.33 -4.03 119.66 118.98 3cwa s GLN 124 Ca 0.38 2.24 0.00 0.00 0.02 0.00 0.00 55.36 57.99 3cwa s GLN 124 Cb 0.21 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 31.04 3cwa s GLN 124 CO 0.33 -0.50 0.00 -0.11 -2.12 0.00 0.00 175.29 172.89 3cwa n LEU 125 N 3.62 0.00 0.00 2.90 7.94 -1.26 -4.91 117.00 125.29 3cwa n LEU 125 Ca 0.11 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.79 3cwa n LEU 125 Cb 0.40 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.55 3cwa n LEU 125 CO 0.60 0.00 0.38 1.33 -1.11 0.00 0.00 177.39 178.59 3cwa n VAL 126 N 0.00 0.00 -2.82 1.96 0.24 -1.26 -5.05 118.33 111.41 3cwa n VAL 126 Ca 0.00 -0.23 -0.28 0.00 -2.04 0.00 0.00 64.34 61.79 3cwa n VAL 126 Cb 0.00 -1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 31.34 3cwa n VAL 126 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3cwa s SER 127 N -3.38 6.34 0.15 -1.34 1.04 -1.26 -4.91 113.70 110.34 3cwa s SER 127 Ca 0.51 0.91 -0.18 0.00 0.48 0.00 0.00 55.95 57.68 3cwa s SER 127 Cb -0.06 -2.24 0.06 0.00 0.10 0.00 0.00 66.02 63.88 3cwa s SER 127 CO 0.40 -0.47 1.69 0.58 0.98 0.00 0.00 173.24 176.42 3cwa h VAL 128 N 0.59 0.71 -0.50 5.02 2.07 -1.95 0.49 116.25 122.66 3cwa h VAL 128 Ca -0.47 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3cwa h VAL 128 Cb 1.20 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3cwa h VAL 128 CO 0.63 0.01 0.14 0.00 0.02 0.00 0.00 177.57 178.36 3cwa h ALA 129 N 1.31 1.30 0.00 1.67 0.00 -1.94 -2.14 119.26 119.45 3cwa h ALA 129 Ca 0.16 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3cwa h ALA 129 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3cwa h ALA 129 CO -0.31 0.50 -0.43 1.98 0.00 0.00 0.00 179.25 181.00 3cwa h MET 130 N 0.74 0.00 -0.13 0.00 -1.53 -1.62 -1.70 114.93 110.68 3cwa h MET 130 Ca 0.17 0.00 -0.20 0.00 -3.44 0.00 0.00 59.70 56.23 3cwa h MET 130 Cb 0.25 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.31 3cwa h MET 130 CO -0.01 0.43 -0.68 0.00 0.14 0.00 0.00 176.91 176.79 3cwa h ALA 131 N 1.57 0.26 -0.40 0.39 0.00 -0.36 -0.91 119.26 119.82 3cwa h ALA 131 Ca -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3cwa h ALA 131 Cb 0.81 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3cwa h ALA 131 CO 0.06 0.57 0.14 0.00 0.00 0.00 0.00 179.25 180.01 3cwa h ALA 132 N 0.51 1.50 0.20 0.00 0.00 -1.24 0.70 119.26 120.94 3cwa h ALA 132 Ca -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3cwa h ALA 132 Cb 1.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3cwa h ALA 132 CO 0.14 0.38 -0.10 -0.22 0.00 0.00 0.00 179.25 179.45 3cwa h LYS 133 N 0.56 -0.27 -0.28 0.00 3.11 -1.13 0.15 116.57 118.71 3cwa h LYS 133 Ca 0.14 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.99 3cwa h LYS 133 Cb 0.15 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 3cwa h LYS 133 CO -0.01 -0.01 0.16 1.25 -2.81 0.00 0.00 179.45 178.03 3cwa h LEU 134 N -0.50 0.35 -1.41 5.20 5.85 -0.53 -2.07 115.31 122.20 3cwa h LEU 134 Ca -0.03 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3cwa h LEU 134 Cb 0.38 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3cwa h LEU 134 CO 0.05 0.31 0.33 0.74 -0.34 0.00 0.00 178.44 179.53 3cwa h THR 135 N 0.35 1.15 -0.53 1.05 2.02 0.44 -1.82 112.91 115.58 3cwa h THR 135 Ca 0.10 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 3cwa h THR 135 Cb 0.04 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3cwa h THR 135 CO -0.02 0.16 0.06 0.00 0.37 0.00 0.00 175.52 176.08 3cwa h ALA 136 N 1.63 1.11 0.00 6.16 0.00 -0.31 -1.00 119.26 126.84 3cwa h ALA 136 Ca 0.20 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3cwa h ALA 136 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3cwa h ALA 136 CO -0.04 0.58 -0.47 0.00 0.00 0.00 0.00 179.25 179.32 3cwa h ARG 137 N 0.80 0.00 0.08 0.00 3.08 -0.71 -1.47 114.38 116.17 3cwa h ARG 137 Ca 0.16 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.96 3cwa h ARG 137 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3cwa h ARG 137 CO 0.01 0.47 -1.13 0.28 -1.07 0.00 0.00 179.97 178.53 3cwa h VAL 138 N 0.00 1.46 -0.26 2.04 2.07 -0.98 -2.74 116.25 117.83 3cwa h VAL 138 Ca -0.00 -2.81 -0.13 0.00 0.82 0.00 0.00 66.70 64.58 3cwa h VAL 138 Cb 1.03 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.54 3cwa h VAL 138 CO 0.06 0.83 -0.35 0.00 0.02 0.00 0.00 177.57 178.12 3cwa h ALA 139 N 0.64 0.40 -0.44 1.67 0.00 -1.10 -1.67 119.26 118.76 3cwa h ALA 139 Ca -0.12 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.40 3cwa h ALA 139 Cb 1.82 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 3cwa h ALA 139 CO 0.19 0.47 0.21 0.37 0.00 0.00 0.00 179.25 180.49 3cwa h GLN 140 N 0.44 0.41 0.00 0.00 5.75 -1.29 0.97 115.11 121.39 3cwa h GLN 140 Ca 0.03 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 3cwa h GLN 140 Cb 0.94 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 3cwa h GLN 140 CO 0.08 0.27 -0.59 1.25 -2.65 0.00 0.00 178.83 177.19 3cwa h LEU 141 N 0.42 0.00 -0.27 -2.39 5.85 -1.48 -3.37 115.31 114.07 3cwa h LEU 141 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3cwa h LEU 141 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3cwa h LEU 141 CO -0.14 0.59 -0.01 -1.22 -0.34 0.00 0.00 178.44 177.32 3cwa n TYR 142 N -3.34 0.00 -2.02 1.25 4.01 -0.63 -5.06 117.16 111.37 3cwa n TYR 142 Ca 0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.47 3cwa n TYR 142 Cb 0.73 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.85 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 -0.77 1.63 -0.08 2.72 0.00 0.33 -4.54 107.32 106.62 3cwa s GLY 143 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 43.95 3cwa s GLY 143 CO 0.01 -0.32 -0.11 -0.54 0.00 0.00 0.00 173.10 172.15 3cwa s GLU 144 N -5.45 2.87 0.44 2.90 2.02 -1.18 -4.89 118.70 115.40 3cwa s GLU 144 Ca 0.62 -0.63 -0.19 0.00 0.02 0.00 0.00 54.97 54.79 3cwa s GLU 144 Cb -0.11 -2.55 -0.10 0.00 0.10 0.00 0.00 34.13 31.48 3cwa s GLU 144 CO 0.47 0.52 0.93 1.03 0.02 0.00 0.00 175.26 178.23 3cwa s ARG 145 N -0.44 4.11 -0.12 1.61 0.52 -1.26 0.55 118.95 123.92 3cwa s ARG 145 Ca 0.06 1.00 -0.24 0.00 -0.52 0.00 0.00 55.73 56.03 3cwa s ARG 145 Cb -0.12 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 3cwa s ARG 145 CO 0.02 -0.08 0.75 -0.51 0.02 0.00 0.00 175.30 175.50 3cwa s LEU 146 N -3.44 4.25 0.17 2.53 1.43 -1.08 -4.87 118.68 117.66 3cwa s LEU 146 Ca 0.60 1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 54.71 3cwa s LEU 146 Cb -0.09 -3.13 0.09 0.00 0.03 0.00 0.00 46.19 43.09 3cwa s LEU 146 CO 0.19 -0.24 1.79 0.44 0.23 0.00 0.00 176.35 178.77 3cwa h ASP 147 N 7.06 0.38 0.83 2.29 3.32 -1.95 -2.31 116.42 126.04 3cwa h ASP 147 Ca -0.36 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.62 3cwa h ASP 147 Cb 1.17 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3cwa h ASP 147 CO 0.78 0.27 -0.42 -0.78 -1.72 0.00 0.00 179.24 177.38 3cwa h ASP 148 N 0.50 0.00 -2.32 6.45 1.82 -1.99 -3.38 116.42 117.50 3cwa h ASP 148 Ca 0.20 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.25 3cwa h ASP 148 Cb 0.07 0.00 -0.39 0.00 0.68 0.00 0.00 39.33 39.70 3cwa h ASP 148 CO -0.12 0.42 -0.98 0.49 -1.61 0.00 0.00 179.24 177.44 3cwa n PHE 149 N -3.56 -0.49 -0.25 0.28 3.72 -0.92 -4.99 117.46 111.26 3cwa n PHE 149 Ca -0.00 -3.43 0.27 0.00 -0.05 0.00 0.00 57.45 54.24 3cwa n PHE 149 Cb 0.53 0.07 0.65 0.00 -0.94 0.00 0.00 39.48 39.79 3cwa n PHE 149 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3cwa h PRO 150 N 5.23 0.15 0.00 -1.08 0.11 -1.62 0.11 132.00 134.89 3cwa h PRO 150 Ca 0.22 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 3cwa h PRO 150 Cb 0.89 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3cwa h PRO 150 CO 0.42 0.10 -0.14 1.05 -0.21 0.00 0.00 178.00 179.21 3cwa h GLU 151 N 0.15 0.00 -6.01 1.05 9.09 -1.94 -3.43 114.58 113.49 3cwa h GLU 151 Ca 0.50 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.33 3cwa h GLU 151 Cb 1.69 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.75 3cwa h GLU 151 CO -0.09 0.14 -0.49 0.71 0.05 0.00 0.00 179.01 179.33 3cwa s TYR 152 N -4.40 3.47 -0.00 2.06 2.02 0.38 -4.65 117.35 116.23 3cwa s TYR 152 Ca -0.03 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 3cwa s TYR 152 Cb 0.14 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 40.01 3cwa s TYR 152 CO 0.63 0.55 -0.03 -1.50 -1.57 0.00 0.00 175.55 173.63 3cwa s ILE 153 N -1.64 0.22 0.43 2.71 2.07 0.35 -2.64 121.20 122.71 3cwa s ILE 153 Ca 0.34 -0.14 -0.22 0.00 -1.41 0.00 0.00 60.65 59.23 3cwa s ILE 153 Cb -0.12 -0.20 -0.10 0.00 0.13 0.00 0.00 42.46 42.18 3cwa s ILE 153 CO 0.28 0.05 0.99 0.00 -1.91 0.00 0.00 174.94 174.35 3cwa s PHE 155 N -1.98 2.54 0.13 0.00 5.36 -1.26 -3.12 117.98 119.65 3cwa s PHE 155 Ca 0.62 1.37 -0.35 0.00 -0.96 0.00 0.00 56.93 57.60 3cwa s PHE 155 Cb -0.14 -3.75 -0.15 0.00 -0.34 0.00 0.00 43.02 38.63 3cwa s PHE 155 CO 0.18 -2.54 1.46 -2.30 -1.46 0.00 0.00 175.22 170.56 3cwa n PRO 156 N -0.42 1.70 -1.62 10.12 -0.02 -1.26 -4.73 135.00 138.77 3cwa n PRO 156 Ca 0.07 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 3cwa n PRO 156 Cb 0.44 -2.31 0.08 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.65 3.13 0.19 3.45 -4.23 -1.26 -4.88 115.64 112.69 3cwa s THR 157 Ca 0.80 0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 61.57 3cwa s THR 157 Cb -0.80 -3.16 0.10 0.00 1.34 0.00 0.00 72.50 69.98 3cwa s THR 157 CO 0.43 -0.48 1.81 -0.65 -0.54 0.00 0.00 174.62 175.18 3cwa h PRO 158 N -1.01 0.62 -0.08 3.99 0.11 -1.92 -2.43 132.00 131.28 3cwa h PRO 158 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3cwa h PRO 158 Cb 1.27 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3cwa h PRO 158 CO 0.60 0.41 0.02 -0.56 -0.21 0.00 0.00 178.00 178.27 3cwa h GLN 159 N 0.64 0.13 -0.37 1.05 -0.00 -1.94 -0.69 115.11 113.93 3cwa h GLN 159 Ca 0.25 -0.03 0.07 0.00 -0.00 0.00 0.00 58.65 58.94 3cwa h GLN 159 Cb 0.10 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.48 27.49 3cwa h GLN 159 CO -0.14 0.29 -0.05 -0.09 -0.00 0.00 0.00 178.83 178.84 3cwa h ARG 160 N -0.07 0.04 0.00 0.06 9.65 -1.90 -1.66 114.38 120.50 3cwa h ARG 160 Ca 0.03 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.80 3cwa h ARG 160 Cb 0.22 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 3cwa h ARG 160 CO -0.00 0.03 -0.50 -0.07 2.80 0.00 0.00 179.97 182.23 3cwa h LEU 161 N 0.04 0.00 -1.45 3.80 3.38 -1.42 -2.84 115.31 116.82 3cwa h LEU 161 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3cwa h LEU 161 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3cwa h LEU 161 CO -0.35 0.50 -0.24 0.00 0.09 0.00 0.00 178.44 178.44 3cwa h ALA 162 N 1.50 1.21 -1.15 1.53 0.00 -0.25 -2.94 119.26 119.16 3cwa h ALA 162 Ca -0.00 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 54.02 3cwa h ALA 162 Cb 0.98 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.38 3cwa h ALA 162 CO 0.06 0.30 0.14 0.00 0.00 0.00 0.00 179.25 179.76 3cwa n ALA 163 N -2.32 5.78 -2.51 0.00 0.00 -0.71 -4.96 120.51 115.78 3cwa n ALA 163 Ca -0.01 -4.06 -0.29 0.00 0.00 0.00 0.00 53.44 49.08 3cwa n ALA 163 Cb 0.36 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.79 2.76 -0.16 0.00 0.00 -1.11 -4.97 121.76 114.51 3cwa s ALA 164 Ca 0.52 -1.39 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 3cwa s ALA 164 Cb 0.43 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 3cwa s ALA 164 CO -0.22 0.56 0.94 0.34 0.00 0.00 0.00 175.76 177.38 3cwa s ASP 165 N -2.36 7.10 0.38 0.00 2.15 -1.26 -4.92 116.67 117.76 3cwa s ASP 165 Ca 0.20 1.35 0.16 0.00 0.43 0.00 0.00 52.55 54.70 3cwa s ASP 165 Cb -0.10 -2.51 1.05 0.00 -0.30 0.00 0.00 42.92 41.06 3cwa s ASP 165 CO 0.12 -0.47 1.77 -0.65 -0.17 0.00 0.00 175.17 175.77 3cwa h PRO 166 N 7.26 0.43 -0.41 4.34 0.11 -1.98 0.90 132.00 142.66 3cwa h PRO 166 Ca -0.28 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.69 3cwa h PRO 166 Cb 1.12 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3cwa h PRO 166 CO 0.87 0.29 -0.19 0.37 -0.21 0.00 0.00 178.00 179.13 3cwa h GLN 167 N 0.45 0.79 -0.02 1.05 5.75 -1.97 -1.34 115.11 119.82 3cwa h GLN 167 Ca 0.59 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.79 3cwa h GLN 167 Cb 1.40 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.91 3cwa h GLN 167 CO -0.32 0.92 0.01 0.00 -2.65 0.00 0.00 178.83 176.79 3cwa h ALA 168 N 1.09 0.02 -0.87 3.38 0.00 -1.22 -0.25 119.26 121.41 3cwa h ALA 168 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3cwa h ALA 168 Cb 0.70 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3cwa h ALA 168 CO 0.05 -0.41 0.51 -0.07 0.00 0.00 0.00 179.25 179.33 3cwa h LEU 169 N -0.11 1.07 -0.98 0.00 3.38 -1.41 -1.52 115.31 115.74 3cwa h LEU 169 Ca 0.01 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3cwa h LEU 169 Cb 0.14 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3cwa h LEU 169 CO -0.00 0.84 0.63 0.50 0.09 0.00 0.00 178.44 180.50 3cwa h LYS 170 N 1.21 1.14 0.00 1.13 3.64 -0.93 -0.66 116.57 122.11 3cwa h LYS 170 Ca 0.31 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3cwa h LYS 170 Cb -0.01 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 3cwa h LYS 170 CO -0.05 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.88 3cwa h ALA 171 N 1.43 1.00 0.00 5.00 0.00 0.03 -1.36 119.26 125.36 3cwa h ALA 171 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3cwa h ALA 171 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3cwa h ALA 171 CO -0.15 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.38 3cwa n LEU 172 N -2.50 0.80 0.00 0.00 4.77 -0.25 -4.90 117.00 114.92 3cwa n LEU 172 Ca -0.01 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3cwa n LEU 172 Cb 0.11 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3cwa n LEU 172 CO 0.16 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 3cwa n GLY 173 N 1.28 1.00 3.14 -0.72 0.00 -0.53 -4.97 105.19 104.38 3cwa n GLY 173 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.57 1.11 1.61 0.23 -1.12 -5.07 119.30 116.63 3cwa s MET 174 Ca 0.00 -0.50 -0.13 0.00 -1.03 0.00 0.00 55.69 54.02 3cwa s MET 174 Cb 0.00 0.23 0.22 0.00 -1.53 0.00 0.00 34.83 33.75 3cwa s MET 174 CO 0.00 -0.15 0.82 -2.30 -2.03 0.00 0.00 175.02 171.36 3cwa n PRO 175 N 1.13 -1.86 -0.15 3.16 -0.02 -1.26 -4.39 135.00 131.60 3cwa n PRO 175 Ca -0.21 -0.51 -0.09 0.00 -2.02 0.00 0.00 63.50 60.67 3cwa n PRO 175 Cb 0.57 -2.10 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 3cwa n PRO 175 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3cwa h LEU 176 N -2.39 0.94 -0.71 2.45 5.85 -1.94 -2.94 115.31 116.57 3cwa h LEU 176 Ca -0.56 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 57.92 3cwa h LEU 176 Cb 1.32 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 3cwa h LEU 176 CO 0.45 1.07 0.39 0.11 -0.34 0.00 0.00 178.44 180.12 3cwa h LYS 177 N 0.83 0.68 -0.56 1.25 1.79 -1.98 -0.80 116.57 117.78 3cwa h LYS 177 Ca 0.13 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3cwa h LYS 177 Cb 0.67 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 3cwa h LYS 177 CO 0.05 0.45 0.21 -0.09 -1.08 0.00 0.00 179.45 178.99 3cwa h ARG 178 N 0.70 0.84 -0.43 3.15 9.65 -1.87 -1.19 114.38 125.24 3cwa h ARG 178 Ca 0.33 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 59.00 3cwa h ARG 178 Cb 0.25 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 3cwa h ARG 178 CO -0.21 0.74 0.07 0.00 2.80 0.00 0.00 179.97 183.36 3cwa h ALA 179 N 1.06 1.31 -0.24 2.80 0.00 -1.25 -1.45 119.26 121.50 3cwa h ALA 179 Ca 0.19 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3cwa h ALA 179 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3cwa h ALA 179 CO -0.01 0.48 -0.46 0.93 0.00 0.00 0.00 179.25 180.19 3cwa h GLU 180 N 0.64 0.63 -0.81 0.00 5.08 -0.81 -1.89 114.58 117.41 3cwa h GLU 180 Ca 0.14 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3cwa h GLU 180 Cb 0.30 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3cwa h GLU 180 CO 0.00 0.96 0.37 0.00 -1.00 0.00 0.00 179.01 179.34 3cwa h ALA 181 N 0.99 1.13 -0.26 3.43 0.00 -0.64 -0.87 119.26 123.04 3cwa h ALA 181 Ca 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3cwa h ALA 181 Cb 0.99 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3cwa h ALA 181 CO 0.09 0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 179.87 3cwa h LEU 182 N 1.15 0.50 -0.34 0.00 3.38 -1.02 -2.24 115.31 116.74 3cwa h LEU 182 Ca 0.28 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3cwa h LEU 182 Cb 0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3cwa h LEU 182 CO -0.03 0.73 0.18 0.40 0.09 0.00 0.00 178.44 179.81 3cwa h ILE 183 N 0.25 1.15 -0.65 1.22 2.04 -1.14 -1.91 117.51 118.46 3cwa h ILE 183 Ca 0.07 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.62 3cwa h ILE 183 Cb 0.51 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3cwa h ILE 183 CO 0.02 0.15 0.29 -0.74 0.00 0.00 0.00 178.15 177.88 3cwa h HIS 184 N 0.42 0.52 -0.46 1.37 2.76 -1.10 -2.23 115.15 116.43 3cwa h HIS 184 Ca 0.12 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3cwa h HIS 184 Cb 0.08 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3cwa h HIS 184 CO -0.02 0.17 0.25 1.25 -1.30 0.00 0.00 177.93 178.27 3cwa h LEU 185 N 0.51 0.57 -1.14 0.26 5.85 -1.10 -0.79 115.31 119.47 3cwa h LEU 185 Ca 0.33 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3cwa h LEU 185 Cb 0.37 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3cwa h LEU 185 CO -0.28 0.50 0.59 0.00 -0.34 0.00 0.00 178.44 178.90 3cwa h ALA 186 N 1.10 1.50 -0.16 1.25 0.00 -0.78 0.54 119.26 122.71 3cwa h ALA 186 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3cwa h ALA 186 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3cwa h ALA 186 CO -0.03 0.37 -0.05 -0.91 0.00 0.00 0.00 179.25 178.64 3cwa h ASN 187 N 1.04 0.32 -0.93 0.00 -0.26 -0.94 -0.11 115.58 114.70 3cwa h ASN 187 Ca 0.38 -0.38 0.11 0.00 -0.56 0.00 0.00 56.30 55.85 3cwa h ASN 187 Cb 0.17 -0.09 -0.07 0.00 -1.06 0.00 0.00 38.32 37.27 3cwa h ASN 187 CO -0.14 0.63 0.60 0.00 -1.06 0.00 0.00 177.43 177.45 3cwa h ALA 188 N 0.70 1.63 -0.57 -0.83 0.00 -0.57 0.13 119.26 119.74 3cwa h ALA 188 Ca 0.04 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3cwa h ALA 188 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3cwa h ALA 188 CO 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.39 3cwa h ALA 189 N 1.55 0.78 -0.23 0.00 0.00 -0.56 0.46 119.26 121.26 3cwa h ALA 189 Ca 0.44 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3cwa h ALA 189 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3cwa h ALA 189 CO -0.21 0.64 -0.27 -0.07 0.00 0.00 0.00 179.25 179.35 3cwa h LEU 190 N 0.93 0.45 0.00 0.00 3.38 0.95 -2.94 115.31 118.07 3cwa h LEU 190 Ca 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cwa h LEU 190 Cb 0.60 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3cwa h LEU 190 CO 0.04 0.71 -0.37 -0.62 0.09 0.00 0.00 178.44 178.29 3cwa n GLU 191 N -4.12 0.14 -1.01 1.13 1.02 0.24 -4.93 120.64 113.11 3cwa n GLU 191 Ca -0.01 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3cwa n GLU 191 Cb 0.41 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3cwa n GLU 191 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cwa n GLY 192 N 1.42 0.59 0.03 0.62 0.00 -0.33 -4.96 105.19 102.55 3cwa n GLY 192 Ca 0.05 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.39 3cwa n GLY 192 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cwa n THR 193 N -2.94 0.14 -3.41 2.61 -1.04 0.15 -4.71 114.28 105.08 3cwa n THR 193 Ca 0.00 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 3cwa n THR 193 Cb 0.12 0.19 -0.09 0.00 -1.82 0.00 0.00 70.33 68.73 3cwa n THR 193 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3cwa s LEU 194 N -3.58 5.24 0.04 -4.42 2.96 -1.15 -4.96 118.68 112.81 3cwa s LEU 194 Ca 0.07 -1.01 -0.36 0.00 -0.22 0.00 0.00 54.13 52.61 3cwa s LEU 194 Cb 0.15 -2.21 -0.15 0.00 0.50 0.00 0.00 46.19 44.49 3cwa s LEU 194 CO 0.75 -0.55 1.55 -2.65 -1.32 0.00 0.00 176.35 174.13 3cwa n PRO 195 N 5.26 1.64 0.07 0.98 -0.02 -1.26 -4.83 135.00 136.84 3cwa n PRO 195 Ca -0.11 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 3cwa n PRO 195 Cb 0.46 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.78 0.62 -4.42 -0.52 2.81 -1.26 -4.91 117.12 113.22 3cwa n MET 196 Ca 0.20 0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.88 3cwa n MET 196 Cb 0.23 -1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 30.91 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 -3.42 2.16 0.13 2.03 -1.32 -1.26 -4.50 115.64 109.46 3cwa s THR 197 Ca -0.03 -2.32 -0.31 0.00 -1.21 0.00 0.00 61.69 57.82 3cwa s THR 197 Cb 0.11 -2.22 -0.10 0.00 -1.51 0.00 0.00 72.50 68.78 3cwa s THR 197 CO 0.83 -0.46 1.75 -0.51 -2.21 0.00 0.00 174.62 174.02 3cwa s ILE 198 N -2.71 2.55 0.45 5.08 2.07 -1.26 -4.98 121.20 122.41 3cwa s ILE 198 Ca 0.27 0.17 -0.15 0.00 -1.41 0.00 0.00 60.65 59.52 3cwa s ILE 198 Cb -0.03 -3.11 -0.08 0.00 0.13 0.00 0.00 42.46 39.38 3cwa s ILE 198 CO 0.12 0.00 0.89 -2.16 -1.91 0.00 0.00 174.94 171.89 3cwa s PRO 199 N 2.30 3.95 0.44 3.50 0.04 -1.26 -4.99 135.00 138.99 3cwa s PRO 199 Ca 0.77 0.82 0.11 0.00 0.04 0.00 0.00 61.00 62.75 3cwa s PRO 199 Cb -0.45 -2.24 1.00 0.00 0.04 0.00 0.00 34.50 32.85 3cwa s PRO 199 CO 0.34 -0.13 2.05 0.78 0.04 0.00 0.00 177.00 180.08 3cwa h GLY 200 N 1.30 0.46 -7.21 0.56 0.00 -2.06 -3.27 103.07 92.86 3cwa h GLY 200 Ca -0.47 -0.16 -0.64 0.00 0.00 0.00 0.00 47.33 46.06 3cwa h GLY 200 CO 0.62 0.13 -0.51 -0.35 0.00 0.00 0.00 176.54 176.44 3cwa s ASP 201 N -6.58 4.89 0.36 0.19 -1.08 -1.26 -4.94 116.67 108.25 3cwa s ASP 201 Ca -0.07 -3.60 0.05 0.00 -0.52 0.00 0.00 52.55 48.40 3cwa s ASP 201 Cb 0.18 -1.69 0.71 0.00 -1.46 0.00 0.00 42.92 40.67 3cwa s ASP 201 CO 0.73 -0.14 1.96 0.58 0.52 0.00 0.00 175.17 178.82 3cwa h VAL 202 N 4.64 1.04 -0.25 1.11 2.07 -1.99 -1.47 116.25 121.41 3cwa h VAL 202 Ca 0.09 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3cwa h VAL 202 Cb 0.80 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3cwa h VAL 202 CO 0.73 0.14 0.12 -0.08 0.02 0.00 0.00 177.57 178.51 3cwa h GLU 203 N 0.79 0.35 -0.44 1.57 4.81 -1.93 -0.35 114.58 119.37 3cwa h GLU 203 Ca 0.31 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3cwa h GLU 203 Cb 0.20 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3cwa h GLU 203 CO -0.10 0.35 0.07 0.37 -0.73 0.00 0.00 179.01 178.97 3cwa h GLN 204 N 0.27 0.73 -0.77 1.92 -0.00 -1.84 -2.57 115.11 112.85 3cwa h GLN 204 Ca 0.09 -0.20 -0.04 0.00 -0.00 0.00 0.00 58.65 58.50 3cwa h GLN 204 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.47 3cwa h GLN 204 CO -0.01 0.76 0.33 0.00 0.00 0.00 0.00 178.83 179.91 3cwa h ALA 205 N 0.94 1.00 0.00 3.38 0.00 -1.13 -1.81 119.26 121.64 3cwa h ALA 205 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3cwa h ALA 205 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3cwa h ALA 205 CO 0.01 0.60 -0.17 0.52 0.00 0.00 0.00 179.25 180.21 3cwa h MET 206 N 1.11 0.00 -0.18 0.00 2.86 -0.88 0.20 114.93 118.04 3cwa h MET 206 Ca 0.26 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.79 3cwa h MET 206 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3cwa h MET 206 CO -0.03 0.17 -0.32 -0.22 1.06 0.00 0.00 176.91 177.58 3cwa h LYS 207 N 0.00 0.54 -0.67 1.72 3.64 -0.96 -2.19 116.57 118.65 3cwa h LYS 207 Ca -0.00 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 58.99 3cwa h LYS 207 Cb 0.35 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3cwa h LYS 207 CO 0.02 0.94 0.20 1.15 -2.27 0.00 0.00 179.45 179.50 3cwa h THR 208 N 0.19 1.25 -0.75 1.00 2.02 -0.67 -2.36 112.91 113.60 3cwa h THR 208 Ca 0.01 -0.88 0.08 0.00 0.77 0.00 0.00 66.41 66.39 3cwa h THR 208 Cb 0.91 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 3cwa h THR 208 CO 0.07 0.34 0.49 0.25 0.37 0.00 0.00 175.52 177.04 3cwa h LEU 209 N 0.98 0.64 0.00 2.58 6.46 -0.53 -1.14 115.31 124.31 3cwa h LEU 209 Ca 0.22 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 3cwa h LEU 209 Cb 0.31 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3cwa h LEU 209 CO -0.01 0.40 0.00 0.00 -0.62 0.00 0.00 178.44 178.21 3cwa n GLN 210 N -4.49 0.04 0.00 1.25 6.02 -0.83 -1.83 117.38 117.53 3cwa n GLN 210 Ca 0.12 0.22 0.13 0.00 -0.01 0.00 0.00 57.00 57.46 3cwa n GLN 210 Cb 0.28 -1.50 0.49 0.00 1.02 0.00 0.00 30.24 30.53 3cwa n GLN 210 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3cwa n THR 211 N -1.47 0.01 -2.25 5.09 -2.24 -0.43 -4.78 114.28 108.21 3cwa n THR 211 Ca 0.04 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 3cwa n THR 211 Cb 0.17 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 3cwa n THR 211 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3cwa s PHE 212 N -3.00 3.25 0.31 4.78 0.40 -0.76 -4.97 117.98 117.98 3cwa s PHE 212 Ca 0.13 1.52 -0.29 0.00 -0.60 0.00 0.00 56.93 57.69 3cwa s PHE 212 Cb 0.18 -3.53 -0.10 0.00 0.51 0.00 0.00 43.02 40.09 3cwa s PHE 212 CO 0.59 -1.36 1.17 -1.25 0.70 0.00 0.00 175.22 175.07 3cwa s PRO 213 N -1.61 4.50 0.00 0.24 0.04 -1.26 -2.54 135.00 134.37 3cwa s PRO 213 Ca 0.47 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3cwa s PRO 213 Cb -0.37 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.07 3cwa s PRO 213 CO 0.48 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.97 3cwa n GLY 214 N 1.01 1.83 3.17 0.56 0.00 -1.26 -4.44 105.19 106.07 3cwa n GLY 214 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.80 3.68 0.00 -0.61 1.01 -1.05 -5.01 121.20 116.41 3cwa s ILE 215 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 58.81 3cwa s ILE 215 Cb 0.00 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3cwa s ILE 215 CO 0.00 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 174.90 3cwa n GLY 216 N 4.74 0.82 0.27 6.18 0.00 -1.26 -4.34 105.19 111.59 3cwa n GLY 216 Ca -0.06 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 0.40 0.02 1.61 2.43 -1.95 -1.69 114.38 115.20 3cwa h ARG 217 Ca 0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3cwa h ARG 217 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3cwa h ARG 217 CO 0.00 0.40 -0.01 2.35 -1.51 0.00 0.00 179.97 181.21 3cwa h TRP 218 N 0.39 -0.02 -0.65 2.20 7.01 -1.97 -1.44 115.95 121.48 3cwa h TRP 218 Ca 0.09 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3cwa h TRP 218 Cb 0.21 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 3cwa h TRP 218 CO 0.01 0.25 0.36 1.15 -2.79 0.00 0.00 178.44 177.41 3cwa h THR 219 N -0.29 1.20 -0.55 2.65 2.02 -1.89 0.13 112.91 116.18 3cwa h THR 219 Ca -0.00 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3cwa h THR 219 Cb 0.28 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3cwa h THR 219 CO 0.00 0.22 0.20 0.00 0.37 0.00 0.00 175.52 176.31 3cwa h ALA 220 N 1.17 0.72 0.16 6.16 0.00 -1.30 0.19 119.26 126.37 3cwa h ALA 220 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3cwa h ALA 220 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3cwa h ALA 220 CO -0.04 0.36 -0.08 -0.91 0.00 0.00 0.00 179.25 178.59 3cwa h ASN 221 N 0.76 -0.18 -0.89 0.00 -0.26 -0.96 -0.90 115.58 113.14 3cwa h ASN 221 Ca 0.18 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3cwa h ASN 221 Cb 0.24 0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.51 3cwa h ASN 221 CO -0.01 0.10 0.54 0.22 -1.06 0.00 0.00 177.43 177.21 3cwa h TYR 222 N -0.47 1.17 -0.61 1.19 3.20 -0.70 -1.01 116.97 119.74 3cwa h TYR 222 Ca -0.02 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 3cwa h TYR 222 Cb 0.37 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3cwa h TYR 222 CO 0.01 0.78 0.17 0.35 -1.64 0.00 0.00 178.16 177.83 3cwa h PHE 223 N 1.22 0.96 -0.38 -3.82 3.57 -0.55 -1.50 116.94 116.45 3cwa h PHE 223 Ca 0.32 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3cwa h PHE 223 Cb -0.05 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3cwa h PHE 223 CO 0.00 0.79 0.10 0.00 -2.23 0.00 0.00 178.31 176.97 3cwa h ALA 224 N 1.28 0.50 -0.05 2.41 0.00 -0.41 0.86 119.26 123.85 3cwa h ALA 224 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3cwa h ALA 224 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3cwa h ALA 224 CO -0.00 0.17 0.03 1.25 0.00 0.00 0.00 179.25 180.69 3cwa h LEU 225 N 0.47 0.07 0.04 0.00 6.46 -0.94 -1.56 115.31 119.84 3cwa h LEU 225 Ca 0.12 -0.07 -0.24 0.00 -0.12 0.00 0.00 57.88 57.57 3cwa h LEU 225 Cb 0.30 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 3cwa h LEU 225 CO 0.00 0.12 -1.30 0.03 -0.62 0.00 0.00 178.44 176.67 3cwa h ARG 226 N 0.01 0.08 0.00 1.25 2.47 -1.27 -2.47 114.38 114.44 3cwa h ARG 226 Ca 0.02 -0.13 -0.10 0.00 -1.26 0.00 0.00 59.98 58.51 3cwa h ARG 226 Cb 0.07 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 3cwa h ARG 226 CO -0.00 1.06 -0.46 0.78 0.56 0.00 0.00 179.97 181.91 3cwa h GLY 227 N -0.52 0.00 0.00 0.04 0.00 0.62 -3.14 103.07 100.07 3cwa h GLY 227 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3cwa h GLY 227 CO -0.11 0.00 -0.58 0.79 0.00 0.00 0.00 176.54 176.64 3cwa n TRP 228 N -3.72 0.00 -3.29 5.60 8.01 -0.82 -4.54 117.44 118.68 3cwa n TRP 228 Ca -0.01 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.98 3cwa n TRP 228 Cb 0.53 -0.04 0.06 0.00 -2.01 0.00 0.00 31.31 29.84 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 -1.31 -6.15 -2.04 -0.99 3.00 -0.87 -4.44 117.38 104.58 3cwa n GLN 229 Ca 0.00 0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 57.32 3cwa n GLN 229 Cb 0.11 -5.46 -0.03 0.00 0.00 0.00 0.00 30.24 24.87 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 -3.22 3.63 -0.87 -1.58 0.00 -0.65 -4.90 121.76 114.17 3cwa s ALA 230 Ca 0.44 1.00 0.27 0.00 0.00 0.00 0.00 51.96 53.66 3cwa s ALA 230 Cb -0.19 -3.69 0.82 0.00 0.00 0.00 0.00 23.12 20.05 3cwa s ALA 230 CO 0.54 -1.20 1.67 1.63 0.00 0.00 0.00 175.76 178.41 3cwa n LYS 231 N 6.27 0.11 -2.43 0.00 4.76 -1.26 -4.37 118.16 121.24 3cwa n LYS 231 Ca 0.16 0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.43 3cwa n LYS 231 Cb 0.42 -1.61 0.01 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.79 4.29 -4.23 4.39 2.03 -1.26 -0.97 116.55 119.01 3cwa n ASP 232 Ca 0.06 -3.56 -0.26 0.00 0.52 0.00 0.00 54.79 51.55 3cwa n ASP 232 Cb 0.38 -0.45 -0.15 0.00 -0.72 0.00 0.00 41.12 40.19 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 -5.05 1.60 0.37 5.18 -7.23 -1.26 -4.59 120.40 109.41 3cwa s VAL 233 Ca 0.46 -1.06 0.08 0.00 -1.81 0.00 0.00 61.98 59.64 3cwa s VAL 233 Cb 0.41 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 3cwa s VAL 233 CO -0.12 0.28 0.13 0.12 -0.31 0.00 0.00 175.10 175.20 3cwa s PHE 234 N -0.68 2.63 -0.59 2.82 5.36 -1.26 -2.81 117.98 123.44 3cwa s PHE 234 Ca 0.07 -0.48 0.06 0.00 -0.96 0.00 0.00 56.93 55.62 3cwa s PHE 234 Cb -0.08 -1.75 0.27 0.00 -0.34 0.00 0.00 43.02 41.12 3cwa s PHE 234 CO 0.01 0.29 0.77 1.28 -1.46 0.00 0.00 175.22 176.12 3cwa n LEU 235 N -1.15 3.51 0.00 6.12 4.32 -1.26 -4.91 117.00 123.63 3cwa n LEU 235 Ca -0.02 -5.42 0.00 0.00 -0.02 0.00 0.00 56.01 50.55 3cwa n LEU 235 Cb 0.63 -0.47 0.02 0.00 -1.62 0.00 0.00 43.42 41.97 3cwa n LEU 235 CO 0.44 2.14 0.48 -0.81 -1.22 0.00 0.00 177.39 178.43 3cwa n PRO 236 N 0.62 0.00 0.00 3.23 -0.04 -1.26 -0.94 135.00 136.61 3cwa n PRO 236 Ca 0.29 0.43 0.08 0.00 -0.04 0.00 0.00 63.50 64.26 3cwa n PRO 236 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.44 0.95 -4.67 3.54 8.00 -1.26 -4.54 116.55 117.13 3cwa n ASP 237 Ca 0.00 -0.97 -0.40 0.00 0.71 0.00 0.00 54.79 54.13 3cwa n ASP 237 Cb 0.01 0.93 0.02 0.00 -0.02 0.00 0.00 41.12 42.06 3cwa n ASP 237 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3cwa n ASP 238 N -1.22 1.93 0.31 -2.24 2.03 -0.11 -4.87 116.55 112.37 3cwa n ASP 238 Ca 0.04 1.02 -0.17 0.00 0.52 0.00 0.00 54.79 56.20 3cwa n ASP 238 Cb 0.28 -1.45 -0.09 0.00 -0.72 0.00 0.00 41.12 39.14 3cwa n ASP 238 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3cwa h TYR 239 N 1.58 -0.69 -0.19 -0.67 3.20 -1.95 -1.95 116.97 116.30 3cwa h TYR 239 Ca -0.47 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.34 3cwa h TYR 239 Cb 1.32 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 3cwa h TYR 239 CO 0.45 -0.42 -0.05 1.25 -1.64 0.00 0.00 178.16 177.74 3cwa h LEU 240 N -0.77 0.27 -0.94 2.82 5.85 -1.96 -2.72 115.31 117.86 3cwa h LEU 240 Ca -0.08 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 3cwa h LEU 240 Cb 0.58 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3cwa h LEU 240 CO 0.12 0.37 -0.43 0.40 -0.34 0.00 0.00 178.44 178.57 3cwa h ILE 241 N 0.28 1.32 0.00 4.05 1.08 -1.81 -1.97 117.51 120.46 3cwa h ILE 241 Ca 0.06 -1.56 -0.08 0.00 -0.39 0.00 0.00 64.86 62.90 3cwa h ILE 241 Cb 0.29 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 3cwa h ILE 241 CO 0.01 0.46 -0.39 0.11 -0.69 0.00 0.00 178.15 177.66 3cwa h LYS 242 N 0.17 0.00 0.00 2.37 1.57 -1.05 -2.32 116.57 117.31 3cwa h LYS 242 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3cwa h LYS 242 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3cwa h LYS 242 CO 0.06 0.39 0.00 0.94 -0.57 0.00 0.00 179.45 180.27 3cwa n GLN 243 N -3.57 0.09 -0.01 3.15 7.27 -0.78 -3.09 117.38 120.44 3cwa n GLN 243 Ca -0.00 0.01 0.09 0.00 0.07 0.00 0.00 57.00 57.16 3cwa n GLN 243 Cb 0.51 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.53 3cwa n GLN 243 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3cwa n ARG 244 N -1.45 0.66 -3.18 3.69 5.12 -0.92 -4.51 116.66 116.07 3cwa n ARG 244 Ca 0.08 -0.14 -0.27 0.00 -1.93 0.00 0.00 57.85 55.60 3cwa n ARG 244 Cb 0.31 -1.40 -0.06 0.00 -1.16 0.00 0.00 32.46 30.15 3cwa n ARG 244 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3cwa n PHE 245 N -2.00 3.70 -1.64 -1.55 3.01 -0.95 -4.20 117.46 113.83 3cwa n PHE 245 Ca -0.02 -4.06 -0.64 0.00 1.01 0.00 0.00 57.45 53.73 3cwa n PHE 245 Cb 0.43 -0.52 -0.10 0.00 -0.01 0.00 0.00 39.48 39.28 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 0.32 0.00 -0.91 -1.08 -0.02 -1.23 -1.71 135.00 130.38 3cwa n PRO 246 Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3cwa n PRO 246 Cb 0.41 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 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 3.98 0.39 3.88 -1.23 0.00 -1.26 -5.01 105.19 105.93 3cwa n GLY 247 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.70 3.78 0.33 1.61 -1.94 -0.69 -5.09 119.30 116.59 3cwa s MET 248 Ca 0.00 0.21 -0.03 0.00 -1.71 0.00 0.00 55.69 54.15 3cwa s MET 248 Cb 0.00 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 3cwa s MET 248 CO 0.00 0.39 0.58 0.95 -0.01 0.00 0.00 175.02 176.94 3cwa s THR 249 N -1.70 5.03 0.30 2.05 -4.23 -1.26 -4.86 115.64 110.97 3cwa s THR 249 Ca 0.43 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.89 3cwa s THR 249 Cb -0.12 -3.79 0.39 0.00 1.34 0.00 0.00 72.50 70.33 3cwa s THR 249 CO 0.21 -0.46 1.58 -0.65 -0.54 0.00 0.00 174.62 174.77 3cwa h PRO 250 N 1.23 0.03 0.00 3.99 0.11 -1.99 0.37 132.00 135.74 3cwa h PRO 250 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3cwa h PRO 250 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3cwa h PRO 250 CO 0.64 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 3cwa h ALA 251 N 1.94 1.00 0.00 -0.75 0.00 -1.94 -1.31 119.26 118.20 3cwa h ALA 251 Ca 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 3cwa h ALA 251 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3cwa h ALA 251 CO -0.88 0.00 -0.11 1.96 0.00 0.00 0.00 179.25 180.22 3cwa h GLN 252 N 0.00 0.00 -0.86 0.00 4.20 -0.70 -1.43 115.11 116.33 3cwa h GLN 252 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 3cwa h GLN 252 Cb 0.59 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.27 3cwa h GLN 252 CO 0.00 0.35 0.41 0.82 -0.67 0.00 0.00 178.83 179.74 3cwa h ILE 253 N -1.00 0.64 0.37 2.54 2.04 -1.28 0.24 117.51 121.06 3cwa h ILE 253 Ca -0.02 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3cwa h ILE 253 Cb 0.41 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3cwa h ILE 253 CO -0.01 0.10 -0.18 -0.09 0.00 0.00 0.00 178.15 177.97 3cwa h ARG 254 N 0.54 -0.48 -0.71 2.37 2.43 -1.32 0.27 114.38 117.47 3cwa h ARG 254 Ca 0.49 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.70 3cwa h ARG 254 Cb 0.78 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 3cwa h ARG 254 CO -0.42 -0.31 0.47 -0.09 -1.51 0.00 0.00 179.97 178.11 3cwa h ARG 255 N -0.52 0.92 0.53 0.20 2.43 -0.04 -2.59 114.38 115.32 3cwa h ARG 255 Ca -0.05 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3cwa h ARG 255 Cb 0.39 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3cwa h ARG 255 CO 0.08 0.61 -0.25 -0.92 -1.51 0.00 0.00 179.97 177.98 3cwa h TYR 256 N 0.95 -0.66 0.00 2.20 5.03 -0.23 -2.94 116.97 121.32 3cwa h TYR 256 Ca 0.26 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.55 3cwa h TYR 256 Cb -0.10 0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.39 3cwa h TYR 256 CO -0.00 -0.35 0.39 0.00 -1.32 0.00 0.00 178.16 176.89 3cwa h ALA 257 N -0.51 1.31 0.00 1.82 0.00 -0.08 -2.11 119.26 119.70 3cwa h ALA 257 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3cwa h ALA 257 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3cwa h ALA 257 CO 0.12 -0.31 0.00 0.93 0.00 0.00 0.00 179.25 179.99 3cwa h GLU 258 N 0.00 0.00 0.00 0.00 5.08 -1.32 -1.81 114.58 116.53 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 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3cwa h GLU 258 CO 0.00 0.00 0.00 0.07 -1.00 0.00 0.00 179.01 178.08 3cwa h ARG 259 N 0.00 0.00 -0.59 2.33 0.11 -1.59 -2.80 114.38 111.83 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 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 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 -2.48 0.80 -2.12 4.08 8.01 -0.68 -4.95 117.44 120.09 3cwa n TRP 260 Ca 0.01 -0.40 -0.40 0.00 -1.31 0.00 0.00 57.50 55.41 3cwa n TRP 260 Cb 0.24 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.52 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 -1.21 4.11 -0.60 -0.99 2.20 -1.06 -0.68 119.74 121.51 3cwa s LYS 261 Ca 0.40 2.12 -0.01 0.00 -0.36 0.00 0.00 55.97 58.12 3cwa s LYS 261 Cb 0.21 -2.85 0.49 0.00 -1.51 0.00 0.00 37.83 34.16 3cwa s LYS 261 CO 0.27 -0.36 2.00 -0.35 -0.36 0.00 0.00 175.35 176.56 3cwa n PRO 262 N 0.35 2.54 -2.12 4.03 -0.04 -1.26 -4.95 135.00 133.55 3cwa n PRO 262 Ca 0.03 -3.13 -0.16 0.00 -0.04 0.00 0.00 63.50 60.19 3cwa n PRO 262 Cb 0.43 -2.23 0.04 0.00 -0.04 0.00 0.00 33.50 31.70 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 -0.91 2.20 0.29 0.54 7.02 0.14 -4.05 117.44 122.67 3cwa n TRP 263 Ca 0.61 -2.13 0.15 0.00 -1.02 0.00 0.00 57.50 55.10 3cwa n TRP 263 Cb 0.89 -0.31 0.89 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 2.19 0.00 -0.43 -0.99 3.08 -1.43 -1.91 114.38 114.89 3cwa h ARG 264 Ca 0.22 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.13 3cwa h ARG 264 Cb 1.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 3cwa h ARG 264 CO 0.57 0.00 -0.29 0.77 -1.07 0.00 0.00 179.97 179.95 3cwa h SER 265 N 0.00 0.99 -0.35 7.04 0.02 -0.89 -0.60 113.55 119.77 3cwa h SER 265 Ca 0.01 -0.41 -0.16 0.00 -0.84 0.00 0.00 61.79 60.39 3cwa h SER 265 Cb 0.03 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 3cwa h SER 265 CO -0.00 1.20 -0.42 1.88 -1.14 0.00 0.00 176.83 178.36 3cwa h TYR 266 N 0.80 1.09 -0.56 3.45 0.05 -1.52 -2.23 116.97 118.05 3cwa h TYR 266 Ca 0.09 -0.34 -0.01 0.00 0.05 0.00 0.00 58.73 58.51 3cwa h TYR 266 Cb 0.87 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 3cwa h TYR 266 CO 0.06 1.17 0.30 0.00 -1.05 0.00 0.00 178.16 178.64 3cwa h ALA 267 N 0.74 0.72 -0.26 3.88 0.00 -1.27 -1.75 119.26 121.31 3cwa h ALA 267 Ca 0.05 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3cwa h ALA 267 Cb 1.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3cwa h ALA 267 CO 0.10 0.25 -0.03 1.25 0.00 0.00 0.00 179.25 180.82 3cwa h LEU 268 N 0.76 -0.17 -0.63 0.00 5.85 -0.95 -1.48 115.31 118.69 3cwa h LEU 268 Ca 0.20 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.03 3cwa h LEU 268 Cb 0.05 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3cwa h LEU 268 CO -0.03 -0.05 0.36 -0.07 -0.34 0.00 0.00 178.44 178.31 3cwa h LEU 269 N 0.04 0.56 -0.63 2.25 3.38 -1.08 -1.78 115.31 118.04 3cwa h LEU 269 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3cwa h LEU 269 Cb 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3cwa h LEU 269 CO -0.24 0.37 0.32 0.45 0.09 0.00 0.00 178.44 179.43 3cwa h HIS 270 N 0.69 0.90 -0.37 1.13 3.86 -0.80 -1.90 115.15 118.66 3cwa h HIS 270 Ca 0.27 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3cwa h HIS 270 Cb 0.11 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 3cwa h HIS 270 CO -0.07 0.67 0.18 0.82 0.86 0.00 0.00 177.93 180.39 3cwa h ILE 271 N 0.87 1.17 -0.93 2.45 2.04 -0.95 -0.27 117.51 121.88 3cwa h ILE 271 Ca 0.22 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.69 3cwa h ILE 271 Cb 0.10 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3cwa h ILE 271 CO -0.03 0.18 0.58 -0.50 0.00 0.00 0.00 178.15 178.38 3cwa h TRP 272 N 0.47 1.06 -0.62 1.37 6.55 -1.13 -2.43 115.95 121.22 3cwa h TRP 272 Ca 0.13 0.03 -0.13 0.00 0.95 0.00 0.00 58.89 59.87 3cwa h TRP 272 Cb 0.12 -0.34 -0.07 0.00 -0.86 0.00 0.00 29.16 28.01 3cwa h TRP 272 CO -0.01 0.48 0.16 0.66 -1.05 0.00 0.00 178.44 178.68 3cwa n TYR 273 N -4.62 2.12 -3.84 0.49 4.02 -0.73 -4.67 117.16 109.94 3cwa n TYR 273 Ca 0.15 -0.94 -0.34 0.00 -0.01 0.00 0.00 57.90 56.77 3cwa n TYR 273 Cb 0.26 -0.58 -0.12 0.00 -0.02 0.00 0.00 39.34 38.87 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 -2.69 3.09 0.14 -0.72 2.01 -0.18 -5.00 115.64 112.29 3cwa s THR 274 Ca 0.50 -2.56 -0.20 0.00 0.31 0.00 0.00 61.69 59.74 3cwa s THR 274 Cb 0.39 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 69.81 3cwa s THR 274 CO 0.13 -0.74 1.17 1.21 -0.69 0.00 0.00 174.62 175.70 3cwa n GLU 275 N 3.99 -0.28 -1.08 4.92 4.07 -1.26 -2.17 120.64 128.83 3cwa n GLU 275 Ca 0.03 1.15 -0.12 0.00 -0.06 0.00 0.00 57.16 58.16 3cwa n GLU 275 Cb 0.39 -1.70 0.16 0.00 -0.06 0.00 0.00 31.44 30.23 3cwa n GLU 275 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3cwa n GLY 276 N -1.25 5.19 3.73 8.31 0.00 -1.26 -5.04 105.19 114.87 3cwa n GLY 276 Ca 0.04 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.37 2.12 -0.26 1.61 -0.00 -0.92 -5.04 118.94 113.07 3cwa s TRP 277 Ca 0.49 1.59 -0.25 0.00 -0.00 0.00 0.00 56.10 57.93 3cwa s TRP 277 Cb 0.43 -3.45 0.09 0.00 -0.00 0.00 0.00 33.47 30.54 3cwa s TRP 277 CO 0.01 -2.51 0.84 1.14 -0.00 0.00 0.00 176.95 176.43 3cwa s GLN 278 N -3.89 0.71 0.53 5.86 -2.07 -1.26 -4.91 119.66 114.62 3cwa s GLN 278 Ca 0.74 0.80 -0.19 0.00 -1.82 0.00 0.00 55.36 54.89 3cwa s GLN 278 Cb -0.28 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 31.88 3cwa s GLN 278 CO 0.44 -0.10 0.44 -0.35 -1.32 0.00 0.00 175.29 174.41 3cwa n PRO 279 N 2.39 0.46 -1.59 9.60 -0.04 -1.26 -4.81 135.00 139.75 3cwa n PRO 279 Ca -0.13 0.18 -0.46 0.00 -0.04 0.00 0.00 63.50 63.04 3cwa n PRO 279 Cb 0.55 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 3cwa n PRO 279 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3cwa n ASP 280 N 0.95 1.45 -4.28 3.54 8.00 -1.26 -4.82 116.55 120.14 3cwa n ASP 280 Ca 0.11 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.35 3cwa n ASP 280 Cb 0.46 -1.27 -0.00 0.00 -0.02 0.00 0.00 41.12 40.28 3cwa n ASP 280 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cwa n GLU 281 N 1.33 2.97 0.00 -1.24 -0.58 -1.26 -5.28 120.64 116.57 3cwa n GLU 281 Ca 0.12 -2.98 0.09 0.00 -0.42 0.00 0.00 57.16 53.97 3cwa n GLU 281 Cb 0.29 -3.43 0.07 0.00 -0.57 0.00 0.00 31.44 27.80 3cwa n GLU 281 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65