#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwa s VAL 2 N 0.00 -0.03 0.25 3.17 0.11 -1.26 -5.13 120.40 117.52 1cwa s VAL 2 Ca 0.00 0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.86 1cwa s VAL 2 Cb 0.00 -0.05 -0.10 0.00 -1.53 0.00 0.00 36.38 34.70 1cwa s VAL 2 CO 0.00 0.04 1.40 0.20 -3.33 0.00 0.00 175.10 173.41 1cwa s ASN 3 N 0.53 6.71 0.63 3.54 0.02 -1.26 -4.98 114.94 120.13 1cwa s ASN 3 Ca -0.04 2.63 -0.18 0.00 -1.02 0.00 0.00 52.86 54.24 1cwa s ASN 3 Cb -0.06 -2.63 -0.02 0.00 0.02 0.00 0.00 41.25 38.57 1cwa s ASN 3 CO -0.02 -0.65 1.23 -2.16 0.02 0.00 0.00 177.10 175.52 1cwa s PRO 4 N -0.55 2.71 -0.08 -0.60 0.04 -1.25 -4.80 135.00 130.47 1cwa s PRO 4 Ca 0.57 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.52 1cwa s PRO 4 Cb -0.41 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 1cwa s PRO 4 CO 0.44 -1.42 -0.23 0.99 0.04 0.00 0.00 177.00 176.82 1cwa s THR 5 N -1.64 1.95 0.20 1.26 2.01 -1.26 -1.52 115.64 116.64 1cwa s THR 5 Ca 0.78 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.87 1cwa s THR 5 Cb -0.32 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 1cwa s THR 5 CO 0.37 0.54 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.01 1cwa s VAL 6 N 0.14 1.68 0.09 3.82 1.01 -0.58 -0.67 120.40 125.89 1cwa s VAL 6 Ca -0.11 -2.20 0.01 0.00 0.00 0.00 0.00 61.98 59.68 1cwa s VAL 6 Cb -0.16 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1cwa s VAL 6 CO 0.06 -0.61 -0.06 0.72 0.00 0.00 0.00 175.10 175.21 1cwa s PHE 7 N -3.00 0.81 -0.01 5.22 -0.71 -0.52 -0.56 117.98 119.21 1cwa s PHE 7 Ca 0.22 -0.93 0.02 0.00 -1.04 0.00 0.00 56.93 55.20 1cwa s PHE 7 Cb -0.00 -0.49 -0.00 0.00 -1.21 0.00 0.00 43.02 41.32 1cwa s PHE 7 CO 0.06 -0.19 -0.08 -0.06 -1.34 0.00 0.00 175.22 173.61 1cwa s PHE 8 N -3.60 0.76 -0.24 3.49 0.08 0.25 -2.68 117.98 116.04 1cwa s PHE 8 Ca 0.10 -0.15 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 1cwa s PHE 8 Cb 0.05 -0.51 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 1cwa s PHE 8 CO -0.06 -0.03 0.10 -0.51 -0.10 0.00 0.00 175.22 174.62 1cwa s ASP 9 N -0.08 5.56 0.06 1.36 1.01 0.20 -0.87 116.67 123.90 1cwa s ASP 9 Ca 0.01 -0.05 -0.05 0.00 0.71 0.00 0.00 52.55 53.17 1cwa s ASP 9 Cb -0.05 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 1cwa s ASP 9 CO -0.00 0.03 0.30 -0.63 0.21 0.00 0.00 175.17 175.07 1cwa s ILE 10 N 1.25 5.27 0.11 0.77 -1.09 0.19 -0.39 121.20 127.31 1cwa s ILE 10 Ca 0.06 0.05 0.05 0.00 -2.23 0.00 0.00 60.65 58.58 1cwa s ILE 10 Cb -0.14 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1cwa s ILE 10 CO 0.05 0.23 -0.13 0.00 -1.23 0.00 0.00 174.94 173.85 1cwa s ALA 11 N -1.45 1.36 -0.20 9.38 0.00 -0.45 -0.38 121.76 130.02 1cwa s ALA 11 Ca 0.33 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1cwa s ALA 11 Cb -0.13 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1cwa s ALA 11 CO 0.21 0.07 -0.09 0.08 0.00 0.00 0.00 175.76 176.03 1cwa s VAL 12 N -2.11 1.58 -1.67 0.00 1.01 0.32 -1.29 120.40 118.24 1cwa s VAL 12 Ca 0.07 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1cwa s VAL 12 Cb -0.05 -1.69 0.12 0.00 0.00 0.00 0.00 36.38 34.76 1cwa s VAL 12 CO 0.02 0.13 0.52 0.47 0.00 0.00 0.00 175.10 176.24 1cwa n ASP 13 N 4.70 -1.54 0.00 3.32 8.00 -0.13 -0.21 116.55 130.69 1cwa n ASP 13 Ca -0.14 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1cwa n ASP 13 Cb 0.46 -2.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.27 1cwa n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cwa n GLY 14 N -1.66 2.83 3.70 0.44 0.00 -1.26 -5.01 105.19 104.22 1cwa n GLY 14 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1cwa n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cwa s GLU 15 N -0.15 4.49 0.33 1.61 0.41 0.71 -4.97 118.70 121.13 1cwa s GLU 15 Ca 0.00 1.44 -0.29 0.00 -0.41 0.00 0.00 54.97 55.71 1cwa s GLU 15 Cb 0.00 -3.49 -0.11 0.00 -1.78 0.00 0.00 34.13 28.75 1cwa s GLU 15 CO 0.00 -0.18 1.41 -2.14 -0.49 0.00 0.00 175.26 173.86 1cwa s PRO 16 N 1.45 4.24 -0.10 0.39 0.02 -1.26 -0.52 135.00 139.21 1cwa s PRO 16 Ca 0.51 2.38 -0.10 0.00 0.02 0.00 0.00 61.00 63.82 1cwa s PRO 16 Cb -0.21 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 1cwa s PRO 16 CO 0.24 -0.37 -0.21 -0.11 -0.33 0.00 0.00 177.00 176.22 1cwa n LEU 17 N 0.99 1.42 0.00 -5.54 7.94 0.49 -4.84 117.00 117.46 1cwa n LEU 17 Ca 0.02 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1cwa n LEU 17 Cb 0.40 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.82 1cwa n LEU 17 CO 0.61 -0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.36 1cwa n GLY 18 N 2.17 -2.15 3.68 -3.96 0.00 -1.18 -4.99 105.19 98.77 1cwa n GLY 18 Ca -0.18 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 1cwa n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cwa s ARG 19 N -1.85 3.04 -0.07 1.61 6.06 -1.26 -0.64 118.95 125.83 1cwa s ARG 19 Ca 0.00 -0.40 0.04 0.00 -2.50 0.00 0.00 55.73 52.86 1cwa s ARG 19 Cb 0.00 -2.81 0.00 0.00 0.06 0.00 0.00 34.95 32.20 1cwa s ARG 19 CO 0.00 0.68 -0.18 0.08 -2.50 0.00 0.00 175.30 173.38 1cwa s VAL 20 N -0.81 1.55 0.21 7.11 1.01 -0.05 -4.41 120.40 125.01 1cwa s VAL 20 Ca 0.12 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1cwa s VAL 20 Cb -0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1cwa s VAL 20 CO 0.02 0.45 -0.15 -0.94 0.00 0.00 0.00 175.10 174.47 1cwa s SER 21 N 0.37 3.88 -0.01 3.32 1.04 -0.71 -0.59 113.70 121.00 1cwa s SER 21 Ca -0.13 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.56 1cwa s SER 21 Cb -0.15 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1cwa s SER 21 CO 0.05 0.09 -0.07 -0.36 0.98 0.00 0.00 173.24 173.93 1cwa s PHE 22 N -1.90 0.66 -0.10 5.02 0.08 0.28 -0.79 117.98 121.23 1cwa s PHE 22 Ca 0.25 -0.14 -0.15 0.00 0.12 0.00 0.00 56.93 57.01 1cwa s PHE 22 Cb -0.08 -0.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.87 1cwa s PHE 22 CO 0.14 -0.05 0.37 -2.00 -0.10 0.00 0.00 175.22 173.58 1cwa s GLU 23 N 0.06 4.14 -0.17 0.44 2.12 0.17 -1.53 118.70 123.93 1cwa s GLU 23 Ca -0.00 0.27 -0.05 0.00 0.36 0.00 0.00 54.97 55.54 1cwa s GLU 23 Cb -0.05 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1cwa s GLU 23 CO -0.00 0.37 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.58 1cwa s LEU 24 N 0.01 3.40 -1.54 2.70 1.43 -0.58 -1.28 118.68 122.81 1cwa s LEU 24 Ca 0.21 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1cwa s LEU 24 Cb -0.14 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1cwa s LEU 24 CO 0.08 0.14 2.62 0.49 0.23 0.00 0.00 176.35 179.91 1cwa n PHE 25 N 3.74 2.91 0.28 0.29 3.72 0.64 -3.97 117.46 125.05 1cwa n PHE 25 Ca -0.17 -3.03 0.13 0.00 -0.05 0.00 0.00 57.45 54.33 1cwa n PHE 25 Cb 0.52 -2.49 0.80 0.00 -0.94 0.00 0.00 39.48 37.37 1cwa n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cwa h ALA 26 N 5.43 1.40 0.00 4.37 0.00 -1.84 0.14 119.26 128.77 1cwa h ALA 26 Ca 0.73 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.55 1cwa h ALA 26 Cb 0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1cwa h ALA 26 CO 1.82 0.09 -0.14 0.38 0.00 0.00 0.00 179.25 181.40 1cwa h ASP 27 N 0.00 0.00 0.00 0.00 2.03 -1.96 -2.80 116.42 113.69 1cwa h ASP 27 Ca -0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 1cwa h ASP 27 Cb 0.19 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.66 1cwa h ASP 27 CO 0.01 0.14 -1.68 0.29 -1.03 0.00 0.00 179.24 176.97 1cwa n LYS 28 N -3.26 1.38 -3.29 4.15 5.02 0.04 -4.84 118.16 117.37 1cwa n LYS 28 Ca 0.01 0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 1cwa n LYS 28 Cb 0.41 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 34.10 1cwa n LYS 28 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1cwa n VAL 29 N -2.60 0.44 -0.28 -0.18 0.24 0.29 -4.96 118.33 111.28 1cwa n VAL 29 Ca -0.19 -4.45 0.05 0.00 -2.04 0.00 0.00 64.34 57.71 1cwa n VAL 29 Cb 0.77 -2.01 0.19 0.00 -1.47 0.00 0.00 33.84 31.32 1cwa n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1cwa h PRO 30 N 4.13 0.61 -0.14 7.34 0.13 -1.70 -0.84 132.00 141.54 1cwa h PRO 30 Ca 0.12 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 1cwa h PRO 30 Cb 0.80 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1cwa h PRO 30 CO 0.60 0.41 -0.70 -0.22 -0.23 0.00 0.00 178.00 177.85 1cwa h LYS 31 N 0.63 0.61 -0.12 0.86 3.64 -1.94 -0.54 116.57 119.70 1cwa h LYS 31 Ca 0.41 -0.47 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 1cwa h LYS 31 Cb 0.52 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1cwa h LYS 31 CO -0.32 1.09 -0.63 1.15 -2.27 0.00 0.00 179.45 178.47 1cwa h THR 32 N 0.43 1.33 -0.23 1.00 2.02 -1.84 -1.84 112.91 113.77 1cwa h THR 32 Ca -0.03 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1cwa h THR 32 Cb 1.29 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1cwa h THR 32 CO 0.13 0.58 0.15 0.00 0.37 0.00 0.00 175.52 176.76 1cwa h ALA 33 N 0.50 0.29 -0.53 6.16 0.00 -1.17 -2.69 119.26 121.83 1cwa h ALA 33 Ca -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1cwa h ALA 33 Cb 1.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1cwa h ALA 33 CO 0.13 -0.23 0.33 1.49 0.00 0.00 0.00 179.25 180.97 1cwa h GLU 34 N 0.31 0.66 -0.45 0.00 4.57 -1.06 -0.48 114.58 118.12 1cwa h GLU 34 Ca 0.08 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1cwa h GLU 34 Cb -0.03 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.35 1cwa h GLU 34 CO -0.02 0.43 0.09 -0.97 -1.18 0.00 0.00 179.01 177.36 1cwa h ASN 35 N 0.68 -0.00 -0.29 1.04 -1.24 -1.26 -1.24 115.58 113.26 1cwa h ASN 35 Ca 0.20 0.08 -0.16 0.00 0.71 0.00 0.00 56.30 57.13 1cwa h ASN 35 Cb -0.04 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1cwa h ASN 35 CO -0.06 0.03 -0.41 0.15 -1.29 0.00 0.00 177.43 175.84 1cwa h PHE 36 N 0.22 1.02 0.32 0.67 3.57 -1.03 -2.21 116.94 119.50 1cwa h PHE 36 Ca 0.22 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1cwa h PHE 36 Cb 0.29 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1cwa h PHE 36 CO -0.22 1.11 -0.16 -0.09 -2.23 0.00 0.00 178.31 176.72 1cwa h ARG 37 N 0.69 -0.43 -0.25 1.11 2.43 -0.85 -0.47 114.38 116.61 1cwa h ARG 37 Ca 0.05 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1cwa h ARG 37 Cb 0.99 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1cwa h ARG 37 CO 0.10 -0.29 -0.10 0.00 -1.51 0.00 0.00 179.97 178.17 1cwa h ALA 38 N 0.24 1.37 0.00 2.80 0.00 -1.21 -1.44 119.26 121.02 1cwa h ALA 38 Ca -0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1cwa h ALA 38 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1cwa h ALA 38 CO 0.06 0.43 -0.36 -0.07 0.00 0.00 0.00 179.25 179.31 1cwa h LEU 39 N 0.39 0.00 -0.06 0.00 3.38 -1.23 -1.78 115.31 116.01 1cwa h LEU 39 Ca 0.08 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 1cwa h LEU 39 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1cwa h LEU 39 CO 0.02 0.36 -1.07 0.28 0.09 0.00 0.00 178.44 178.13 1cwa h SER 40 N 0.00 0.50 1.46 -0.43 0.02 -0.09 -0.68 113.55 114.33 1cwa h SER 40 Ca -0.00 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1cwa h SER 40 Cb 0.93 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1cwa h SER 40 CO 0.05 1.28 0.00 0.71 -1.14 0.00 0.00 176.83 177.73 1cwa h THR 41 N 0.17 0.00 -0.26 -2.27 1.35 -1.24 -3.10 112.91 107.57 1cwa h THR 41 Ca -0.10 -0.50 -0.11 0.00 -0.55 0.00 0.00 66.41 65.15 1cwa h THR 41 Cb 1.73 1.48 -0.04 0.00 -1.73 0.00 0.00 68.15 69.59 1cwa h THR 41 CO 0.18 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 175.96 1cwa n GLY 42 N 1.21 0.77 0.06 5.82 0.00 -0.68 -4.91 105.19 107.45 1cwa n GLY 42 Ca 0.05 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.75 1cwa n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cwa n GLU 43 N -2.23 0.09 -0.03 1.61 0.28 -1.19 -1.36 120.64 117.81 1cwa n GLU 43 Ca -0.05 0.36 0.13 0.00 -0.16 0.00 0.00 57.16 57.44 1cwa n GLU 43 Cb 0.25 -1.68 0.30 0.00 1.43 0.00 0.00 31.44 31.75 1cwa n GLU 43 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1cwa n LYS 44 N -1.85 2.03 -0.01 3.44 4.76 -1.26 -4.92 118.16 120.35 1cwa n LYS 44 Ca 0.02 -1.51 0.00 0.00 -2.87 0.00 0.00 58.31 53.96 1cwa n LYS 44 Cb 0.17 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 1cwa n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cwa n GLY 45 N 1.28 0.58 3.27 0.72 0.00 -0.46 -5.06 105.19 105.52 1cwa n GLY 45 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1cwa n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cwa s PHE 46 N -2.01 -0.09 -2.70 1.61 -0.12 -1.25 -5.11 117.98 108.31 1cwa s PHE 46 Ca 0.00 -0.22 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 1cwa s PHE 46 Cb 0.00 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.53 1cwa s PHE 46 CO 0.00 -0.62 0.00 0.41 -0.05 0.00 0.00 175.22 174.96 1cwa n GLY 47 N -0.03 -0.54 0.14 1.99 0.00 -1.26 -4.39 105.19 101.10 1cwa n GLY 47 Ca -0.16 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.14 1cwa n GLY 47 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1cwa h TYR 48 N 0.00 0.00 -2.59 1.61 0.05 -1.43 -3.45 116.97 111.16 1cwa h TYR 48 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.26 1cwa h TYR 48 Cb 0.00 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.79 1cwa h TYR 48 CO 0.00 0.00 1.07 0.21 -1.05 0.00 0.00 178.16 178.39 1cwa s LYS 49 N -3.17 4.13 0.00 4.88 2.20 -1.26 -0.90 119.74 125.61 1cwa s LYS 49 Ca 0.08 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1cwa s LYS 49 Cb 0.10 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1cwa s LYS 49 CO 0.66 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1cwa n GLY 50 N 4.13 1.62 3.95 5.54 0.00 0.95 -5.03 105.19 116.34 1cwa n GLY 50 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1cwa n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwa s SER 51 N -3.22 5.33 0.40 1.61 1.04 -0.08 -4.72 113.70 114.06 1cwa s SER 51 Ca 0.00 0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.82 1cwa s SER 51 Cb 0.00 -1.23 -0.05 0.00 0.10 0.00 0.00 66.02 64.84 1cwa s SER 51 CO 0.00 -1.16 0.14 0.00 0.98 0.00 0.00 173.24 173.20 1cwa s PHE 53 N -2.58 3.10 -0.69 0.00 0.40 -0.60 -3.95 117.98 113.65 1cwa s PHE 53 Ca 0.39 -0.36 0.23 0.00 -0.60 0.00 0.00 56.93 56.60 1cwa s PHE 53 Cb 0.03 -3.24 0.11 0.00 0.51 0.00 0.00 43.02 40.43 1cwa s PHE 53 CO 0.22 -0.86 1.09 -2.39 0.70 0.00 0.00 175.22 173.97 1cwa n HIS 54 N 5.96 0.23 -3.62 0.36 1.44 -0.71 -4.58 115.22 114.30 1cwa n HIS 54 Ca -0.06 0.07 -0.17 0.00 -2.01 0.00 0.00 57.72 55.55 1cwa n HIS 54 Cb 0.47 -0.39 -0.14 0.00 0.12 0.00 0.00 29.99 30.04 1cwa n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1cwa s ARG 55 N -3.15 0.10 -0.07 -1.40 3.52 -1.22 -4.56 118.95 112.17 1cwa s ARG 55 Ca 0.05 0.49 0.01 0.00 -0.13 0.00 0.00 55.73 56.15 1cwa s ARG 55 Cb 0.15 -0.52 0.02 0.00 -1.56 0.00 0.00 34.95 33.04 1cwa s ARG 55 CO 0.79 -0.41 -0.07 0.42 -0.81 0.00 0.00 175.30 175.22 1cwa s ILE 56 N 2.33 0.81 -0.27 4.11 1.01 -0.07 -0.18 121.20 128.94 1cwa s ILE 56 Ca 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1cwa s ILE 56 Cb -0.13 -0.82 0.07 0.00 0.01 0.00 0.00 42.46 41.59 1cwa s ILE 56 CO -0.08 0.30 -0.03 -0.63 0.00 0.00 0.00 174.94 174.50 1cwa s ILE 57 N 1.20 1.77 0.09 2.92 1.01 -0.56 -2.39 121.20 125.25 1cwa s ILE 57 Ca -0.06 -1.57 -0.36 0.00 0.00 0.00 0.00 60.65 58.66 1cwa s ILE 57 Cb -0.14 -2.08 -0.17 0.00 0.01 0.00 0.00 42.46 40.09 1cwa s ILE 57 CO -0.02 -0.25 1.31 -2.65 0.00 0.00 0.00 174.94 173.33 1cwa n PRO 58 N 4.55 1.11 -0.05 2.79 -0.02 -1.26 -1.43 135.00 140.68 1cwa n PRO 58 Ca -0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1cwa n PRO 58 Cb 0.43 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1cwa n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwa n GLY 59 N 2.42 2.14 0.60 -1.23 0.00 -1.26 -4.87 105.19 103.00 1cwa n GLY 59 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1cwa n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1cwa n PHE 60 N -2.00 0.00 -3.67 1.61 7.35 -0.52 -4.40 117.46 115.83 1cwa n PHE 60 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1cwa n PHE 60 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1cwa n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1cwa s MET 61 N -0.60 0.91 -0.14 -4.13 0.23 -1.01 -1.28 119.30 113.29 1cwa s MET 61 Ca 0.00 -0.48 -0.00 0.00 -1.03 0.00 0.00 55.69 54.18 1cwa s MET 61 Cb 0.00 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 1cwa s MET 61 CO 0.00 -0.41 -0.12 0.00 -2.03 0.00 0.00 175.02 172.45 1cwa s GLN 63 N 0.41 2.43 0.00 0.00 0.74 0.75 -0.76 119.66 123.22 1cwa s GLN 63 Ca -0.10 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.51 1cwa s GLN 63 Cb -0.16 -2.24 0.00 0.00 1.10 0.00 0.00 33.01 31.71 1cwa s GLN 63 CO 0.05 0.54 0.00 0.41 -0.55 0.00 0.00 175.29 175.74 1cwa n GLY 64 N 2.52 3.42 0.18 2.59 0.00 -0.71 -1.73 105.19 111.46 1cwa n GLY 64 Ca -0.17 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1cwa n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwa n GLY 65 N 0.00 0.38 3.53 -0.02 0.00 -1.25 -1.05 105.19 106.78 1cwa n GLY 65 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1cwa n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cwa s ASP 66 N -2.62 6.76 0.00 1.61 -1.08 -1.26 -4.09 116.67 116.00 1cwa s ASP 66 Ca 0.00 -2.23 0.30 0.00 -0.52 0.00 0.00 52.55 50.10 1cwa s ASP 66 Cb 0.00 -2.52 1.42 0.00 -1.46 0.00 0.00 42.92 40.36 1cwa s ASP 66 CO 0.00 -1.16 2.00 2.22 0.52 0.00 0.00 175.17 178.75 1cwa n PHE 67 N 7.72 0.00 -0.13 -5.34 1.16 -1.26 -1.53 117.46 118.08 1cwa n PHE 67 Ca 0.39 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.71 1cwa n PHE 67 Cb 0.47 -0.35 -0.11 0.00 -1.61 0.00 0.00 39.48 37.88 1cwa n PHE 67 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1cwa n THR 68 N -1.34 1.53 0.35 1.97 -2.24 -1.26 -4.67 114.28 108.61 1cwa n THR 68 Ca 0.12 -0.41 0.08 0.00 -2.27 0.00 0.00 64.05 61.57 1cwa n THR 68 Cb 0.27 -1.77 -0.11 0.00 -2.10 0.00 0.00 70.33 66.62 1cwa n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1cwa n ARG 69 N -3.97 1.05 -1.60 -0.78 5.12 -1.26 -4.96 116.66 110.26 1cwa n ARG 69 Ca -0.49 -0.08 -0.20 0.00 -1.93 0.00 0.00 57.85 55.15 1cwa n ARG 69 Cb 0.90 -1.33 -0.08 0.00 -1.16 0.00 0.00 32.46 30.79 1cwa n ARG 69 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1cwa n HIS 70 N -1.75 -0.08 -0.69 -1.55 8.25 -0.58 -4.82 115.22 114.00 1cwa n HIS 70 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cwa n HIS 70 Cb 0.35 -3.39 0.00 0.00 1.12 0.00 0.00 29.99 28.07 1cwa n HIS 70 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cwa n ASN 71 N -1.29 0.49 0.00 0.41 6.94 -1.26 -4.83 115.26 115.72 1cwa n ASN 71 Ca -0.20 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 1cwa n ASN 71 Cb 0.66 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 1cwa n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cwa n GLY 72 N -0.09 1.32 0.35 4.83 0.00 -1.26 -4.95 105.19 105.39 1cwa n GLY 72 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1cwa n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cwa n THR 73 N -1.94 0.00 -2.22 2.61 -2.24 -1.26 -5.01 114.28 104.22 1cwa n THR 73 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1cwa n THR 73 Cb 0.00 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1cwa n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cwa n GLY 74 N 1.41 5.61 0.00 3.38 0.00 -1.26 -4.97 105.19 109.36 1cwa n GLY 74 Ca 0.09 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1cwa n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwa n GLY 75 N 3.96 0.06 3.49 -0.02 0.00 -1.26 -4.66 105.19 106.76 1cwa n GLY 75 Ca 0.00 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 1cwa n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cwa s LYS 76 N -1.88 0.89 0.94 1.61 -2.85 -1.26 -4.67 119.74 112.51 1cwa s LYS 76 Ca 0.00 -0.31 -0.15 0.00 -1.00 0.00 0.00 55.97 54.50 1cwa s LYS 76 Cb 0.00 0.41 0.18 0.00 -2.06 0.00 0.00 37.83 36.36 1cwa s LYS 76 CO 0.00 -0.39 1.30 -1.54 0.10 0.00 0.00 175.35 174.82 1cwa s SER 77 N -2.49 3.32 0.00 0.03 1.04 -0.95 -3.79 113.70 110.86 1cwa s SER 77 Ca 0.04 0.35 0.31 0.00 0.48 0.00 0.00 55.95 57.13 1cwa s SER 77 Cb -0.01 -0.47 1.68 0.00 0.10 0.00 0.00 66.02 67.32 1cwa s SER 77 CO -0.09 -2.61 2.10 2.30 0.98 0.00 0.00 173.24 175.91 1cwa n ILE 78 N -3.70 0.00 0.76 -1.02 -5.35 -1.26 -3.62 119.36 105.17 1cwa n ILE 78 Ca 0.14 -0.06 0.08 0.00 -0.27 0.00 0.00 62.75 62.64 1cwa n ILE 78 Cb 0.60 -0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.19 1cwa n ILE 78 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1cwa n TYR 79 N -0.73 0.00 -0.20 4.28 4.01 -1.26 -5.09 117.16 118.17 1cwa n TYR 79 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1cwa n TYR 79 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1cwa n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cwa n GLY 80 N 1.31 0.89 0.25 2.72 0.00 -1.24 -4.95 105.19 104.17 1cwa n GLY 80 Ca 0.05 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 1cwa n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cwa h GLU 81 N 5.24 0.84 -4.38 1.61 4.81 -1.95 -2.52 114.58 118.23 1cwa h GLU 81 Ca 0.00 -0.16 -0.19 0.00 -0.13 0.00 0.00 59.36 58.88 1cwa h GLU 81 Cb 0.00 -0.13 -0.18 0.00 0.63 0.00 0.00 28.75 29.07 1cwa h GLU 81 CO 0.00 0.73 -0.70 0.15 -0.73 0.00 0.00 179.01 178.46 1cwa s LYS 82 N -5.53 0.60 0.11 1.92 1.02 -1.26 -2.39 119.74 114.21 1cwa s LYS 82 Ca -0.13 -1.03 -0.04 0.00 0.02 0.00 0.00 55.97 54.79 1cwa s LYS 82 Cb 0.12 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.36 1cwa s LYS 82 CO 0.79 -0.04 0.11 -0.59 -0.92 0.00 0.00 175.35 174.70 1cwa s PHE 83 N -2.78 0.55 0.92 3.18 -0.71 0.52 -4.90 117.98 114.77 1cwa s PHE 83 Ca 0.00 -0.98 -0.10 0.00 -1.04 0.00 0.00 56.93 54.81 1cwa s PHE 83 Cb -0.00 -0.29 0.15 0.00 -1.21 0.00 0.00 43.02 41.66 1cwa s PHE 83 CO -0.04 -0.53 1.13 -1.83 -1.34 0.00 0.00 175.22 172.60 1cwa s GLU 84 N -3.97 1.00 -0.54 1.99 1.03 -1.26 -1.69 118.70 115.26 1cwa s GLU 84 Ca 0.15 1.41 -0.28 0.00 0.03 0.00 0.00 54.97 56.28 1cwa s GLU 84 Cb 0.06 -1.74 0.03 0.00 -0.80 0.00 0.00 34.13 31.69 1cwa s GLU 84 CO -0.04 -2.60 1.16 -0.51 -1.33 0.00 0.00 175.26 171.94 1cwa s ASP 85 N -2.78 6.51 0.08 0.83 1.01 -1.26 -4.79 116.67 116.28 1cwa s ASP 85 Ca 0.66 0.21 -0.24 0.00 0.71 0.00 0.00 52.55 53.90 1cwa s ASP 85 Cb -0.22 -2.55 -0.16 0.00 1.01 0.00 0.00 42.92 41.01 1cwa s ASP 85 CO 0.58 -1.39 1.70 -0.08 0.21 0.00 0.00 175.17 176.19 1cwa h GLU 86 N 9.42 -0.04 -1.75 8.23 4.81 -2.01 -3.47 114.58 129.78 1cwa h GLU 86 Ca -0.24 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.26 1cwa h GLU 86 Cb 1.06 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.33 1cwa h GLU 86 CO 1.16 0.01 0.71 0.54 -0.73 0.00 0.00 179.01 180.70 1cwa s ASN 87 N -5.19 -0.11 -0.31 1.04 2.20 -1.26 -5.05 114.94 106.26 1cwa s ASN 87 Ca -0.13 -0.21 0.11 0.00 -0.94 0.00 0.00 52.86 51.69 1cwa s ASN 87 Cb 0.06 0.27 0.47 0.00 -2.00 0.00 0.00 41.25 40.04 1cwa s ASN 87 CO 0.66 -0.49 1.14 0.49 -2.94 0.00 0.00 177.10 175.96 1cwa n PHE 88 N -0.45 2.37 -0.22 1.54 3.72 -1.26 -4.70 117.46 118.46 1cwa n PHE 88 Ca -0.07 -2.37 -0.07 0.00 -0.05 0.00 0.00 57.45 54.89 1cwa n PHE 88 Cb 0.62 -0.28 0.04 0.00 -0.94 0.00 0.00 39.48 38.92 1cwa n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1cwa h ILE 89 N 3.15 1.20 -3.20 4.37 2.04 -1.96 -3.44 117.51 119.67 1cwa h ILE 89 Ca 0.20 -0.49 -0.58 0.00 1.00 0.00 0.00 64.86 65.00 1cwa h ILE 89 Cb 1.36 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1cwa h ILE 89 CO 0.61 0.21 -0.25 -0.76 0.00 0.00 0.00 178.15 177.96 1cwa s LEU 90 N -9.97 4.28 0.39 1.44 1.43 -1.26 -5.10 118.68 109.88 1cwa s LEU 90 Ca -0.13 0.72 0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1cwa s LEU 90 Cb 0.13 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.03 1cwa s LEU 90 CO 0.77 0.07 0.08 -0.54 0.23 0.00 0.00 176.35 176.97 1cwa s LYS 91 N -2.42 2.11 -1.27 1.70 1.02 -1.26 -4.41 119.74 115.21 1cwa s LYS 91 Ca 0.39 -1.88 -0.11 0.00 0.02 0.00 0.00 55.97 54.39 1cwa s LYS 91 Cb -0.13 -1.88 0.16 0.00 -0.52 0.00 0.00 37.83 35.46 1cwa s LYS 91 CO 0.22 -0.01 1.75 0.72 -0.92 0.00 0.00 175.35 177.10 1cwa n HIS 92 N -1.08 3.71 0.86 3.18 8.25 -1.26 -4.79 115.22 124.08 1cwa n HIS 92 Ca -0.03 -2.99 0.14 0.00 -0.26 0.00 0.00 57.72 54.58 1cwa n HIS 92 Cb 0.64 -2.09 0.53 0.00 1.12 0.00 0.00 29.99 30.19 1cwa n HIS 92 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1cwa n THR 93 N 3.98 0.23 -1.72 1.59 -2.24 -1.26 -2.77 114.28 112.08 1cwa n THR 93 Ca 0.40 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1cwa n THR 93 Cb 0.39 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1cwa n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cwa n GLY 94 N 1.43 -1.67 3.68 3.38 0.00 -1.26 -4.57 105.19 106.18 1cwa n GLY 94 Ca 0.06 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1cwa n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cwa n PRO 95 N -0.25 1.54 0.00 1.61 -0.02 -1.26 -3.37 135.00 133.26 1cwa n PRO 95 Ca 0.00 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1cwa n PRO 95 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1cwa n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwa n GLY 96 N 0.95 2.23 3.73 -1.23 0.00 0.21 -4.91 105.19 106.17 1cwa n GLY 96 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1cwa n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cwa s ILE 97 N -2.45 3.16 -0.26 -0.61 -1.09 -1.22 -0.96 121.20 117.77 1cwa s ILE 97 Ca 0.00 0.90 -0.10 0.00 -2.23 0.00 0.00 60.65 59.22 1cwa s ILE 97 Cb 0.00 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1cwa s ILE 97 CO 0.00 0.11 0.16 -0.22 -1.23 0.00 0.00 174.94 173.76 1cwa s LEU 98 N 0.38 4.00 0.05 2.97 2.96 -0.27 -0.69 118.68 128.08 1cwa s LEU 98 Ca 0.61 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 54.54 1cwa s LEU 98 Cb -0.38 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1cwa s LEU 98 CO 0.35 0.01 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.81 1cwa s SER 99 N 1.38 0.58 -0.09 3.68 0.15 -0.41 -1.34 113.70 117.65 1cwa s SER 99 Ca 0.07 -0.89 -0.26 0.00 0.70 0.00 0.00 55.95 55.57 1cwa s SER 99 Cb -0.15 0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1cwa s SER 99 CO 0.07 -0.50 0.85 -0.04 1.20 0.00 0.00 173.24 174.82 1cwa s MET 100 N -3.33 4.42 0.63 5.44 -1.94 -0.52 -0.61 119.30 123.40 1cwa s MET 100 Ca 0.03 1.13 -0.12 0.00 -1.71 0.00 0.00 55.69 55.01 1cwa s MET 100 Cb 0.03 -3.50 -0.03 0.00 2.01 0.00 0.00 34.83 33.35 1cwa s MET 100 CO -0.07 -0.13 1.04 0.00 -0.01 0.00 0.00 175.02 175.85 1cwa s ALA 101 N 1.42 2.87 0.15 3.03 0.00 -0.70 -4.37 121.76 124.16 1cwa s ALA 101 Ca 0.43 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.42 1cwa s ALA 101 Cb -0.18 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1cwa s ALA 101 CO 0.19 -0.86 0.30 0.27 0.00 0.00 0.00 175.76 175.66 1cwa n ASN 102 N -2.64 -0.88 -1.54 0.00 2.04 -1.26 -4.60 115.26 106.38 1cwa n ASN 102 Ca 0.07 -1.63 -0.02 0.00 -0.44 0.00 0.00 54.58 52.57 1cwa n ASN 102 Cb 0.54 1.47 0.09 0.00 -2.53 0.00 0.00 39.78 39.34 1cwa n ASN 102 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1cwa n ALA 103 N -2.05 3.39 0.00 -2.53 0.00 -1.26 -5.09 120.51 112.97 1cwa n ALA 103 Ca -0.06 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1cwa n ALA 103 Cb 0.23 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1cwa n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cwa n GLY 104 N -0.49 0.91 3.63 0.00 0.00 -1.26 -4.95 105.19 103.04 1cwa n GLY 104 Ca 0.18 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1cwa n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cwa n PRO 105 N -1.31 1.59 -4.12 1.61 -0.02 -1.26 -3.00 135.00 128.48 1cwa n PRO 105 Ca 0.00 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 1cwa n PRO 105 Cb 0.00 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 1cwa n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cwa n ASN 106 N 0.72 -1.19 -1.90 2.55 3.02 -1.26 -4.92 115.26 112.28 1cwa n ASN 106 Ca 0.08 -1.06 -0.14 0.00 -0.03 0.00 0.00 54.58 53.43 1cwa n ASN 106 Cb 0.37 -2.68 0.06 0.00 -0.61 0.00 0.00 39.78 36.92 1cwa n ASN 106 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1cwa n THR 107 N -4.41 2.16 -2.25 3.41 -2.24 -1.16 -4.53 114.28 105.25 1cwa n THR 107 Ca -0.17 -3.71 -0.42 0.00 -2.27 0.00 0.00 64.05 57.48 1cwa n THR 107 Cb 0.61 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 1cwa n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1cwa s ASN 108 N -3.51 6.89 0.00 3.42 0.01 -0.68 -4.34 114.94 116.73 1cwa s ASN 108 Ca 0.44 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.75 1cwa s ASN 108 Cb 0.39 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.47 1cwa s ASN 108 CO -0.00 -0.64 0.00 0.61 -1.51 0.00 0.00 177.10 175.56 1cwa n GLY 109 N 3.49 1.49 0.00 0.66 0.00 -1.26 -0.35 105.19 109.22 1cwa n GLY 109 Ca 0.12 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1cwa n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cwa n SER 110 N 0.00 3.81 -4.77 1.61 3.41 -1.25 -3.62 113.62 112.82 1cwa n SER 110 Ca 0.00 -0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.12 1cwa n SER 110 Cb 0.00 1.08 -0.01 0.00 -0.26 0.00 0.00 64.21 65.02 1cwa n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cwa s GLN 111 N -1.99 4.11 0.24 4.33 -0.21 -1.26 -4.54 119.66 120.34 1cwa s GLN 111 Ca -0.01 2.21 -0.05 0.00 0.02 0.00 0.00 55.36 57.53 1cwa s GLN 111 Cb 0.01 -2.88 -0.02 0.00 1.00 0.00 0.00 33.01 31.12 1cwa s GLN 111 CO 0.08 -0.39 0.29 -0.59 -2.12 0.00 0.00 175.29 172.57 1cwa s PHE 112 N -1.21 0.90 0.03 0.91 -0.12 -0.22 -1.73 117.98 116.54 1cwa s PHE 112 Ca 0.54 -1.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.22 1cwa s PHE 112 Cb -0.39 -0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 41.73 1cwa s PHE 112 CO 0.51 -0.82 0.06 -0.59 -0.05 0.00 0.00 175.22 174.33 1cwa s PHE 113 N -3.97 0.21 -0.27 3.49 -0.71 0.22 -1.74 117.98 115.20 1cwa s PHE 113 Ca 0.32 -0.48 -0.05 0.00 -1.04 0.00 0.00 56.93 55.68 1cwa s PHE 113 Cb 0.03 -0.15 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1cwa s PHE 113 CO 0.12 -0.31 0.02 0.42 -1.34 0.00 0.00 175.22 174.14 1cwa s ILE 114 N -2.19 3.64 0.23 -4.49 1.01 0.06 -1.29 121.20 118.17 1cwa s ILE 114 Ca -0.09 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 1cwa s ILE 114 Cb -0.04 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 1cwa s ILE 114 CO -0.03 0.19 1.26 0.00 0.00 0.00 0.00 174.94 176.37 1cwa n THR 116 N 2.16 1.21 -3.63 0.00 -2.24 -0.41 0.63 114.28 112.01 1cwa n THR 116 Ca 0.04 -1.11 -0.08 0.00 -2.27 0.00 0.00 64.05 60.63 1cwa n THR 116 Cb 0.43 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1cwa n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cwa s ALA 117 N -1.27 -1.53 0.16 6.98 0.00 -1.24 -4.40 121.76 120.46 1cwa s ALA 117 Ca 0.33 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 1cwa s ALA 117 Cb 0.19 0.75 -0.11 0.00 0.00 0.00 0.00 23.12 23.95 1cwa s ALA 117 CO 0.19 -0.89 1.72 0.21 0.00 0.00 0.00 175.76 176.99 1cwa s LYS 118 N -3.61 4.15 -0.46 0.00 2.20 -1.26 -4.00 119.74 116.76 1cwa s LYS 118 Ca 0.07 2.52 0.09 0.00 -0.36 0.00 0.00 55.97 58.29 1cwa s LYS 118 Cb -0.03 -3.31 0.32 0.00 -1.51 0.00 0.00 37.83 33.30 1cwa s LYS 118 CO -0.03 -0.75 0.75 0.25 -0.36 0.00 0.00 175.35 175.21 1cwa n THR 119 N 4.30 0.89 0.24 3.43 -2.24 -1.11 -4.92 114.28 114.86 1cwa n THR 119 Ca 0.16 -4.82 0.17 0.00 -2.27 0.00 0.00 64.05 57.29 1cwa n THR 119 Cb 0.37 -1.11 0.87 0.00 -2.10 0.00 0.00 70.33 68.36 1cwa n THR 119 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1cwa h GLU 120 N 3.33 0.00 0.00 -0.78 9.09 -1.93 -1.96 114.58 122.33 1cwa h GLU 120 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 1cwa h GLU 120 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 1cwa h GLU 120 CO 0.62 0.00 0.00 -2.67 0.05 0.00 0.00 179.01 177.01 1cwa n TRP 121 N -3.70 0.00 0.99 2.06 2.14 -1.26 -1.56 117.44 116.11 1cwa n TRP 121 Ca 0.00 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.68 1cwa n TRP 121 Cb 0.28 -0.48 -0.03 0.00 -0.81 0.00 0.00 31.31 30.27 1cwa n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1cwa n LEU 122 N -1.48 1.79 -4.76 5.67 4.77 -0.74 -4.90 117.00 117.36 1cwa n LEU 122 Ca 0.02 -0.70 -0.39 0.00 -0.03 0.00 0.00 56.01 54.91 1cwa n LEU 122 Cb 0.07 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1cwa n LEU 122 CO 0.06 0.35 0.99 -1.81 -1.33 0.00 0.00 177.39 175.65 1cwa s ASP 123 N -2.58 5.93 0.00 -1.43 1.01 -0.60 -1.84 116.67 117.16 1cwa s ASP 123 Ca 0.16 2.73 0.00 0.00 0.71 0.00 0.00 52.55 56.15 1cwa s ASP 123 Cb 0.17 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1cwa s ASP 123 CO 0.63 -1.12 0.00 0.61 0.21 0.00 0.00 175.17 175.51 1cwa n GLY 124 N 0.63 2.85 0.00 0.21 0.00 -1.26 -4.76 105.19 102.86 1cwa n GLY 124 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1cwa n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cwa n LYS 125 N -2.00 0.80 -4.14 1.61 5.02 -0.77 -5.01 118.16 113.67 1cwa n LYS 125 Ca 0.00 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 1cwa n LYS 125 Cb 0.00 -1.03 -0.16 0.00 -0.02 0.00 0.00 35.03 33.82 1cwa n LYS 125 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1cwa s HIS 126 N -2.08 0.72 -0.21 2.13 3.76 -0.96 -4.93 115.29 113.73 1cwa s HIS 126 Ca -0.00 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.42 1cwa s HIS 126 Cb 0.01 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 33.05 1cwa s HIS 126 CO 0.05 -0.19 1.10 0.08 -0.85 0.00 0.00 174.74 174.93 1cwa s VAL 127 N 0.95 4.58 -0.06 -0.90 1.01 -1.26 -4.80 120.40 119.91 1cwa s VAL 127 Ca -0.11 1.90 -0.23 0.00 0.00 0.00 0.00 61.98 63.54 1cwa s VAL 127 Cb -0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1cwa s VAL 127 CO -0.00 -0.16 0.70 -0.69 0.00 0.00 0.00 175.10 174.95 1cwa s VAL 128 N 3.20 5.03 0.00 2.92 1.01 -1.26 -1.43 120.40 129.87 1cwa s VAL 128 Ca 0.47 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1cwa s VAL 128 Cb -0.17 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1cwa s VAL 128 CO 0.09 0.26 0.32 2.22 0.00 0.00 0.00 175.10 177.99 1cwa n PHE 129 N 3.71 0.00 -3.86 5.22 -1.74 -0.45 -4.70 117.46 115.65 1cwa n PHE 129 Ca -0.01 -0.04 -0.01 0.00 -0.56 0.00 0.00 57.45 56.83 1cwa n PHE 129 Cb 0.51 -0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.52 1cwa n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1cwa n GLY 130 N -0.04 0.60 3.25 4.97 0.00 -1.14 -0.26 105.19 112.57 1cwa n GLY 130 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1cwa n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cwa s LYS 131 N -2.03 0.86 -0.02 1.61 -2.85 -0.41 -1.11 119.74 115.80 1cwa s LYS 131 Ca 0.20 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 1cwa s LYS 131 Cb -0.02 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.07 1cwa s LYS 131 CO 0.03 -0.29 1.51 0.08 0.10 0.00 0.00 175.35 176.78 1cwa s VAL 132 N -3.06 3.59 -0.14 1.79 1.01 -0.14 -0.65 120.40 122.80 1cwa s VAL 132 Ca -0.01 0.91 0.09 0.00 0.00 0.00 0.00 61.98 62.96 1cwa s VAL 132 Cb 0.01 -3.58 -0.23 0.00 0.00 0.00 0.00 36.38 32.57 1cwa s VAL 132 CO -0.07 -0.03 0.27 1.17 0.00 0.00 0.00 175.10 176.44 1cwa n LYS 133 N 6.01 0.68 -3.65 2.72 4.81 0.03 -4.86 118.16 123.90 1cwa n LYS 133 Ca 0.15 0.17 -0.15 0.00 -0.87 0.00 0.00 58.31 57.61 1cwa n LYS 133 Cb 0.43 -1.65 -0.08 0.00 0.02 0.00 0.00 35.03 33.76 1cwa n LYS 133 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1cwa s GLU 134 N -2.54 0.80 0.00 1.64 2.56 -1.19 -4.93 118.70 115.04 1cwa s GLU 134 Ca -0.15 0.28 0.00 0.00 0.00 0.00 0.00 54.97 55.10 1cwa s GLU 134 Cb 0.07 0.38 0.00 0.00 2.00 0.00 0.00 34.13 36.58 1cwa s GLU 134 CO 0.78 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.68 1cwa n GLY 135 N 1.63 0.90 0.35 -1.50 0.00 -1.26 -1.73 105.19 103.58 1cwa n GLY 135 Ca -0.18 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1cwa n GLY 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1cwa h MET 136 N 1.67 0.16 0.00 1.61 -1.53 -1.91 0.42 114.93 115.34 1cwa h MET 136 Ca 0.00 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.20 1cwa h MET 136 Cb 0.00 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.01 1cwa h MET 136 CO 0.00 0.11 -0.25 -2.95 0.14 0.00 0.00 176.91 173.96 1cwa h ASN 137 N 0.16 0.00 -0.10 1.39 -1.07 -1.97 -0.86 115.58 113.14 1cwa h ASN 137 Ca 0.23 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.41 1cwa h ASN 137 Cb 0.69 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.94 1cwa h ASN 137 CO -0.03 0.25 -0.62 0.40 0.07 0.00 0.00 177.43 177.50 1cwa h ILE 138 N 0.00 1.30 -0.67 6.14 1.08 -0.51 -1.69 117.51 123.16 1cwa h ILE 138 Ca -0.00 -1.85 -0.01 0.00 -0.39 0.00 0.00 64.86 62.61 1cwa h ILE 138 Cb 0.48 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 35.99 1cwa h ILE 138 CO 0.03 0.58 0.39 0.58 -0.69 0.00 0.00 178.15 179.05 1cwa h VAL 139 N 0.53 1.20 -0.58 1.67 2.07 -0.95 -0.93 116.25 119.25 1cwa h VAL 139 Ca -0.01 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1cwa h VAL 139 Cb 1.20 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1cwa h VAL 139 CO 0.12 0.22 0.31 -0.33 0.02 0.00 0.00 177.57 177.91 1cwa h GLU 140 N 0.92 0.81 -0.44 1.57 5.08 -1.10 -1.78 114.58 119.65 1cwa h GLU 140 Ca 0.24 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1cwa h GLU 140 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1cwa h GLU 140 CO -0.04 0.63 0.20 0.00 -1.00 0.00 0.00 179.01 178.80 1cwa h ALA 141 N 1.14 1.53 -0.71 3.43 0.00 -0.90 -2.63 119.26 121.12 1cwa h ALA 141 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1cwa h ALA 141 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1cwa h ALA 141 CO -0.03 0.38 0.28 0.52 0.00 0.00 0.00 179.25 180.39 1cwa h MET 142 N 0.61 1.06 0.00 0.00 2.86 -0.35 -3.03 114.93 116.08 1cwa h MET 142 Ca 0.15 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1cwa h MET 142 Cb 0.08 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1cwa h MET 142 CO -0.02 0.86 -0.03 0.93 1.06 0.00 0.00 176.91 179.71 1cwa h GLU 143 N 1.03 0.00 0.00 1.72 5.08 -1.00 -2.11 114.58 119.30 1cwa h GLU 143 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1cwa h GLU 143 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1cwa h GLU 143 CO -0.02 0.03 0.00 0.54 -1.00 0.00 0.00 179.01 178.56 1cwa n ARG 144 N -4.01 0.09 -0.06 2.33 3.00 -1.14 -1.75 116.66 115.11 1cwa n ARG 144 Ca -0.03 0.44 0.12 0.00 -0.01 0.00 0.00 57.85 58.37 1cwa n ARG 144 Cb 0.12 -1.71 0.17 0.00 0.00 0.00 0.00 32.46 31.04 1cwa n ARG 144 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1cwa n PHE 145 N -1.88 0.16 -2.07 -1.55 3.72 -0.79 -4.95 117.46 110.11 1cwa n PHE 145 Ca 0.01 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1cwa n PHE 145 Cb 0.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1cwa n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cwa n GLY 146 N 1.39 0.79 3.65 1.37 0.00 -0.71 0.27 105.19 111.94 1cwa n GLY 146 Ca 0.16 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 1cwa n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwa s SER 147 N -1.00 0.11 0.20 1.61 1.04 -1.01 -4.77 113.70 109.89 1cwa s SER 147 Ca 0.00 -1.04 -0.10 0.00 0.48 0.00 0.00 55.95 55.29 1cwa s SER 147 Cb 0.00 0.68 0.15 0.00 0.10 0.00 0.00 66.02 66.94 1cwa s SER 147 CO 0.00 -1.31 1.86 -0.09 0.98 0.00 0.00 173.24 174.68 1cwa h ARG 148 N 2.14 0.99 0.00 4.02 1.12 -1.91 -0.38 114.38 120.36 1cwa h ARG 148 Ca -0.27 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.53 1cwa h ARG 148 Cb 1.25 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.99 1cwa h ARG 148 CO 0.35 0.68 0.00 0.27 -3.11 0.00 0.00 179.97 178.16 1cwa n ASN 149 N -4.54 0.00 0.00 -3.80 6.94 -1.26 -4.92 115.26 107.68 1cwa n ASN 149 Ca 0.07 -0.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.64 1cwa n ASN 149 Cb 0.04 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1cwa n ASN 149 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cwa n GLY 150 N 0.67 3.28 3.77 4.83 0.00 -0.15 -4.99 105.19 112.61 1cwa n GLY 150 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1cwa n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwa s LYS 151 N -0.58 4.55 0.18 1.61 1.02 -1.26 -0.90 119.74 124.37 1cwa s LYS 151 Ca 0.00 1.49 -0.12 0.00 0.02 0.00 0.00 55.97 57.36 1cwa s LYS 151 Cb 0.00 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.33 1cwa s LYS 151 CO 0.00 0.22 0.54 0.95 -0.92 0.00 0.00 175.35 176.14 1cwa s THR 152 N -1.45 4.90 -0.69 2.17 -4.23 -1.26 -3.11 115.64 111.97 1cwa s THR 152 Ca 0.49 0.66 0.25 0.00 -1.18 0.00 0.00 61.69 61.91 1cwa s THR 152 Cb -0.23 -3.68 0.16 0.00 1.34 0.00 0.00 72.50 70.09 1cwa s THR 152 CO 0.30 0.12 1.54 -1.54 -0.54 0.00 0.00 174.62 174.49 1cwa n SER 153 N 0.42 0.76 -4.21 3.99 3.41 0.14 -4.85 113.62 113.28 1cwa n SER 153 Ca -0.03 0.34 -0.14 0.00 -0.26 0.00 0.00 58.87 58.77 1cwa n SER 153 Cb 0.52 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 1cwa n SER 153 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1cwa s LYS 154 N -3.13 0.96 -0.19 4.33 3.01 -1.26 -5.13 119.74 118.32 1cwa s LYS 154 Ca 0.08 -1.32 -0.24 0.00 -1.01 0.00 0.00 55.97 53.49 1cwa s LYS 154 Cb 0.13 -0.57 -0.02 0.00 -1.01 0.00 0.00 37.83 36.37 1cwa s LYS 154 CO 0.66 0.07 0.78 0.21 0.51 0.00 0.00 175.35 177.58 1cwa s LYS 155 N -3.33 4.25 -0.24 1.68 2.47 -1.26 -4.92 119.74 118.39 1cwa s LYS 155 Ca 0.12 0.90 -0.03 0.00 -1.56 0.00 0.00 55.97 55.39 1cwa s LYS 155 Cb 0.00 -3.59 0.01 0.00 -1.46 0.00 0.00 37.83 32.79 1cwa s LYS 155 CO -0.00 -0.34 -0.03 0.42 0.16 0.00 0.00 175.35 175.56 1cwa s ILE 156 N 2.22 3.23 0.31 5.43 1.09 -1.26 -0.95 121.20 131.27 1cwa s ILE 156 Ca 0.35 -0.77 0.10 0.00 -1.10 0.00 0.00 60.65 59.23 1cwa s ILE 156 Cb -0.16 -2.57 -0.06 0.00 -1.06 0.00 0.00 42.46 38.61 1cwa s ILE 156 CO 0.11 0.27 -0.12 0.42 -0.10 0.00 0.00 174.94 175.52 1cwa s THR 157 N 1.41 2.21 -0.66 2.92 -4.23 -0.41 -1.56 115.64 115.33 1cwa s THR 157 Ca 0.03 -2.25 -0.19 0.00 -1.18 0.00 0.00 61.69 58.10 1cwa s THR 157 Cb -0.16 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.28 1cwa s THR 157 CO -0.03 -0.28 0.80 -0.63 -0.54 0.00 0.00 174.62 173.94 1cwa s ILE 158 N -2.65 4.78 0.28 2.99 1.01 0.34 -1.34 121.20 126.60 1cwa s ILE 158 Ca 0.31 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 59.98 1cwa s ILE 158 Cb 0.01 -4.55 0.00 0.00 0.01 0.00 0.00 42.46 37.92 1cwa s ILE 158 CO 0.15 -1.22 1.64 0.00 0.00 0.00 0.00 174.94 175.51 1cwa h ALA 159 N 9.12 1.01 -2.91 9.38 0.00 -1.03 0.27 119.26 135.10 1cwa h ALA 159 Ca -0.22 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1cwa h ALA 159 Cb 1.07 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 1cwa h ALA 159 CO 1.09 0.67 0.11 0.34 0.00 0.00 0.00 179.25 181.46 1cwa s ASP 160 N -6.88 -0.45 0.26 0.00 2.15 -1.20 -4.42 116.67 106.12 1cwa s ASP 160 Ca -0.04 -0.12 -0.22 0.00 0.43 0.00 0.00 52.55 52.60 1cwa s ASP 160 Cb 0.13 0.56 0.03 0.00 -0.30 0.00 0.00 42.92 43.34 1cwa s ASP 160 CO 0.78 -0.93 0.79 0.00 -0.17 0.00 0.00 175.17 175.63 1cwa n GLY 162 N -0.47 -1.66 3.64 0.00 0.00 -1.09 -4.74 105.19 100.87 1cwa n GLY 162 Ca -0.05 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1cwa n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cwa s GLN 163 N -1.69 2.95 -0.22 1.61 0.74 -1.26 -1.45 119.66 120.34 1cwa s GLN 163 Ca 0.00 -0.46 0.04 0.00 0.05 0.00 0.00 55.36 54.99 1cwa s GLN 163 Cb 0.00 -2.74 -0.20 0.00 1.10 0.00 0.00 33.01 31.18 1cwa s GLN 163 CO 0.00 0.66 -0.07 1.28 -0.55 0.00 0.00 175.29 176.61 1cwa n LEU 164 N 2.25 2.39 0.00 3.68 4.77 0.16 -4.96 117.00 125.29 1cwa n LEU 164 Ca -0.18 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1cwa n LEU 164 Cb 0.53 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1cwa n LEU 164 CO 0.28 0.84 0.00 1.21 -1.33 0.00 0.00 177.39 178.39