#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwt s ASN 2 N 0.00 6.73 0.00 3.17 2.47 -1.26 -4.93 114.94 121.12 2vwt s ASN 2 Ca 0.00 2.20 0.29 0.00 0.42 0.00 0.00 52.86 55.77 2vwt s ASN 2 Cb 0.00 -2.54 1.34 0.00 -1.45 0.00 0.00 41.25 38.60 2vwt s ASN 2 CO 0.00 -0.86 1.92 0.00 -3.72 0.00 0.00 177.10 174.45 2vwt n ALA 3 N 6.42 2.70 -2.74 1.71 0.00 -1.26 -4.72 120.51 122.63 2vwt n ALA 3 Ca 0.16 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 2vwt n ALA 3 Cb 0.43 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 2vwt n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2vwt s LEU 4 N -2.40 4.34 0.40 0.00 1.43 -1.26 -3.39 118.68 117.80 2vwt s LEU 4 Ca 0.32 0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 53.71 2vwt s LEU 4 Cb 0.20 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 2vwt s LEU 4 CO 0.45 0.27 1.05 -0.76 0.23 0.00 0.00 176.35 177.59 2vwt s LEU 5 N -0.41 4.12 0.02 1.79 1.43 -1.26 -5.07 118.68 119.29 2vwt s LEU 5 Ca 0.16 2.02 -0.09 0.00 -1.03 0.00 0.00 54.13 55.19 2vwt s LEU 5 Cb -0.13 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 41.88 2vwt s LEU 5 CO 0.05 -0.50 0.19 -0.94 0.23 0.00 0.00 176.35 175.37 2vwt s SER 6 N -1.60 0.00 -0.41 2.29 1.04 -1.26 -5.00 113.70 108.76 2vwt s SER 6 Ca 0.58 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.79 2vwt s SER 6 Cb -0.21 0.25 0.14 0.00 0.10 0.00 0.00 66.02 66.30 2vwt s SER 6 CO 0.27 -0.46 0.25 0.21 0.98 0.00 0.00 173.24 174.48 2vwt s ASN 7 N -1.68 3.18 0.41 7.02 3.84 -1.26 -4.99 114.94 121.46 2vwt s ASN 7 Ca -0.10 -2.54 0.11 0.00 0.21 0.00 0.00 52.86 50.53 2vwt s ASN 7 Cb -0.04 -0.74 0.94 0.00 -0.55 0.00 0.00 41.25 40.86 2vwt s ASN 7 CO -0.00 -0.27 1.99 -0.65 -2.79 0.00 0.00 177.10 175.38 2vwt h PRO 8 N 6.68 0.49 -0.04 0.43 0.11 -1.99 -1.14 132.00 136.53 2vwt h PRO 8 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2vwt h PRO 8 Cb 0.94 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2vwt h PRO 8 CO 0.39 0.32 0.01 0.35 -0.21 0.00 0.00 178.00 178.86 2vwt h PHE 9 N 0.51 0.01 -0.70 0.65 3.04 -1.94 -2.12 116.94 116.39 2vwt h PHE 9 Ca 0.26 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.15 2vwt h PHE 9 Cb 0.38 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 2vwt h PHE 9 CO -0.00 0.00 0.17 -0.22 -2.02 0.00 0.00 178.31 176.24 2vwt h LYS 10 N 0.03 1.11 -0.77 1.11 3.64 -1.65 -0.86 116.57 119.18 2vwt h LYS 10 Ca 0.02 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 2vwt h LYS 10 Cb 0.01 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2vwt h LYS 10 CO -0.02 0.98 0.44 0.93 -2.27 0.00 0.00 179.45 179.51 2vwt h GLU 11 N 1.06 1.07 -0.11 1.90 5.08 -1.16 -0.46 114.58 121.95 2vwt h GLU 11 Ca 0.22 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.24 2vwt h GLU 11 Cb 0.37 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2vwt h GLU 11 CO 0.00 0.77 -0.83 0.00 -1.00 0.00 0.00 179.01 177.95 2vwt h ARG 12 N 1.07 0.76 -0.44 2.33 3.08 -1.15 -2.36 114.38 117.68 2vwt h ARG 12 Ca 0.27 -0.67 0.09 0.00 0.07 0.00 0.00 59.98 59.74 2vwt h ARG 12 Cb 0.00 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 2vwt h ARG 12 CO -0.05 1.27 -0.11 1.25 -1.07 0.00 0.00 179.97 181.26 2vwt h LEU 13 N 0.48 -0.40 -1.78 3.04 6.46 -1.07 -0.31 115.31 121.73 2vwt h LEU 13 Ca -0.07 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2vwt h LEU 13 Cb 1.47 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 41.66 2vwt h LEU 13 CO 0.17 -0.14 -0.11 0.03 -0.62 0.00 0.00 178.44 177.76 2vwt h ARG 14 N 0.00 0.00 -0.00 1.25 3.08 -0.95 -0.28 114.38 117.48 2vwt h ARG 14 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2vwt h ARG 14 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2vwt h ARG 14 CO -0.45 0.11 0.00 1.63 -1.07 0.00 0.00 179.97 180.20 2vwt n LYS 15 N -4.38 1.09 -1.18 0.04 5.02 -0.88 -4.90 118.16 112.96 2vwt n LYS 15 Ca -0.03 -0.13 -0.06 0.00 -2.02 0.00 0.00 58.31 56.07 2vwt n LYS 15 Cb 0.19 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2vwt n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vwt n GLY 16 N 1.01 0.77 3.75 0.72 0.00 -0.12 -4.99 105.19 106.34 2vwt n GLY 16 Ca 0.23 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2vwt n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vwt s GLU 17 N -2.12 2.84 -0.04 1.61 2.02 -0.18 -4.98 118.70 117.86 2vwt s GLU 17 Ca 0.00 1.70 -0.26 0.00 0.02 0.00 0.00 54.97 56.43 2vwt s GLU 17 Cb 0.00 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 2vwt s GLU 17 CO 0.00 -1.28 0.80 0.08 0.02 0.00 0.00 175.26 174.89 2vwt s VAL 18 N -1.83 4.98 -0.13 2.63 1.01 -1.26 -4.60 120.40 121.19 2vwt s VAL 18 Ca 0.74 1.67 0.01 0.00 0.00 0.00 0.00 61.98 64.40 2vwt s VAL 18 Cb -0.27 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 31.98 2vwt s VAL 18 CO 0.36 0.22 -0.15 -1.10 0.00 0.00 0.00 175.10 174.43 2vwt s GLN 19 N 0.86 2.35 -0.17 2.72 -0.21 0.63 -5.02 119.66 120.82 2vwt s GLN 19 Ca 0.43 -0.59 -0.15 0.00 0.02 0.00 0.00 55.36 55.06 2vwt s GLN 19 Cb -0.19 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 2vwt s GLN 19 CO 0.22 -0.15 0.37 0.42 -2.12 0.00 0.00 175.29 174.02 2vwt s ILE 20 N 1.24 5.24 0.34 1.08 -1.09 -1.26 -1.46 121.20 125.29 2vwt s ILE 20 Ca -0.00 0.69 0.04 0.00 -2.23 0.00 0.00 60.65 59.14 2vwt s ILE 20 Cb -0.14 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 36.97 2vwt s ILE 20 CO -0.07 0.32 0.05 -0.83 -1.23 0.00 0.00 174.94 173.19 2vwt s GLY 21 N 0.72 2.14 -0.01 6.18 0.00 0.45 -0.45 107.32 116.36 2vwt s GLY 21 Ca 0.19 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2vwt s GLY 21 CO 0.07 -1.85 0.01 -2.27 0.00 0.00 0.00 173.10 169.05 2vwt s LEU 22 N -3.52 1.65 0.14 0.66 2.96 -0.78 -1.11 118.68 118.68 2vwt s LEU 22 Ca 0.36 0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.98 2vwt s LEU 22 Cb 0.09 -0.04 -0.07 0.00 0.50 0.00 0.00 46.19 46.67 2vwt s LEU 22 CO 0.16 -0.05 1.19 0.26 -1.32 0.00 0.00 176.35 176.59 2vwt s TRP 23 N 0.41 3.45 -0.38 5.38 0.23 -0.57 -0.54 118.94 126.92 2vwt s TRP 23 Ca -0.03 1.40 -0.10 0.00 -2.03 0.00 0.00 56.10 55.34 2vwt s TRP 23 Cb -0.05 -3.41 0.04 0.00 0.03 0.00 0.00 33.47 30.08 2vwt s TRP 23 CO -0.01 -1.17 0.19 -0.51 0.96 0.00 0.00 176.95 176.42 2vwt s LEU 24 N 0.18 4.72 0.00 2.99 1.43 0.20 -1.19 118.68 127.01 2vwt s LEU 24 Ca 0.54 -1.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2vwt s LEU 24 Cb -0.31 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.00 2vwt s LEU 24 CO 0.34 -0.41 0.91 -1.20 0.23 0.00 0.00 176.35 176.23 2vwt n SER 25 N 4.94 1.93 -0.02 2.29 7.64 -1.26 -2.00 113.62 127.15 2vwt n SER 25 Ca -0.12 -1.70 0.11 0.00 1.01 0.00 0.00 58.87 58.17 2vwt n SER 25 Cb 0.45 -0.05 0.04 0.00 -1.01 0.00 0.00 64.21 63.64 2vwt n SER 25 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2vwt n SER 26 N -0.06 0.83 0.00 6.43 3.41 -1.26 -4.82 113.62 118.15 2vwt n SER 26 Ca 0.03 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 2vwt n SER 26 Cb 0.23 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 2vwt n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2vwt n THR 27 N -1.45 0.00 -3.79 6.66 -2.24 -1.26 -4.99 114.28 107.21 2vwt n THR 27 Ca 0.05 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 2vwt n THR 27 Cb 0.34 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 2vwt n THR 27 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2vwt s THR 28 N -2.23 5.44 0.38 4.28 -4.23 -1.26 -4.86 115.64 113.15 2vwt s THR 28 Ca 0.00 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 60.85 2vwt s THR 28 Cb 0.00 -3.45 0.17 0.00 1.34 0.00 0.00 72.50 70.55 2vwt s THR 28 CO 0.00 0.54 1.91 0.00 -0.54 0.00 0.00 174.62 176.54 2vwt h ALA 29 N 5.63 1.48 -0.21 3.99 0.00 -1.88 -2.50 119.26 125.79 2vwt h ALA 29 Ca -0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2vwt h ALA 29 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2vwt h ALA 29 CO 0.65 0.37 0.11 -0.92 0.00 0.00 0.00 179.25 179.46 2vwt h TYR 30 N 0.32 0.29 -0.05 0.00 5.03 -1.94 -2.16 116.97 118.46 2vwt h TYR 30 Ca 0.07 -0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.20 2vwt h TYR 30 Cb 0.33 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 2vwt h TYR 30 CO 0.01 0.27 -0.74 0.52 -1.32 0.00 0.00 178.16 176.90 2vwt h MET 31 N 0.22 0.27 -0.38 1.82 2.86 -1.97 -2.97 114.93 114.79 2vwt h MET 31 Ca 0.07 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2vwt h MET 31 Cb 0.08 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 2vwt h MET 31 CO -0.01 0.89 0.16 0.00 1.06 0.00 0.00 176.91 179.01 2vwt h ALA 32 N 1.04 0.45 -0.30 6.32 0.00 -1.26 -0.17 119.26 125.35 2vwt h ALA 32 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2vwt h ALA 32 Cb 1.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2vwt h ALA 32 CO 0.12 -0.22 0.15 1.49 0.00 0.00 0.00 179.25 180.79 2vwt h GLU 33 N 0.33 0.31 -0.55 0.00 4.81 -1.40 -0.67 114.58 117.41 2vwt h GLU 33 Ca 0.17 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2vwt h GLU 33 Cb 0.11 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 2vwt h GLU 33 CO -0.15 0.21 0.29 0.82 -0.73 0.00 0.00 179.01 179.45 2vwt h ILE 34 N 0.32 0.96 -0.71 2.32 2.04 -1.31 -2.52 117.51 118.61 2vwt h ILE 34 Ca 0.12 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2vwt h ILE 34 Cb 0.03 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2vwt h ILE 34 CO -0.08 0.10 0.27 0.00 0.00 0.00 0.00 178.15 178.44 2vwt h ALA 35 N 1.30 1.15 0.00 1.87 0.00 -0.83 -2.52 119.26 120.21 2vwt h ALA 35 Ca 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2vwt h ALA 35 Cb 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2vwt h ALA 35 CO -0.17 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.68 2vwt h ALA 36 N 1.27 1.58 0.00 0.00 0.00 -0.68 -1.88 119.26 119.55 2vwt h ALA 36 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2vwt h ALA 36 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2vwt h ALA 36 CO -0.02 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.50 2vwt n THR 37 N -3.94 0.75 0.25 0.00 -2.24 -0.95 -2.65 114.28 105.49 2vwt n THR 37 Ca -0.03 0.13 0.14 0.00 -2.27 0.00 0.00 64.05 62.02 2vwt n THR 37 Cb 0.10 -0.94 0.53 0.00 -2.10 0.00 0.00 70.33 67.92 2vwt n THR 37 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2vwt h SER 38 N 0.00 0.00 -3.26 3.42 0.02 -1.47 -3.48 113.55 108.79 2vwt h SER 38 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 2vwt h SER 38 Cb 0.40 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.99 2vwt h SER 38 CO 0.00 0.08 -0.38 0.61 -1.14 0.00 0.00 176.83 176.00 2vwt n GLY 39 N 0.24 -0.01 3.70 -3.77 0.00 -1.08 -5.03 105.19 99.24 2vwt n GLY 39 Ca 0.01 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2vwt n GLY 39 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vwt n TYR 40 N -4.01 1.44 -0.07 1.61 4.02 -1.26 -4.93 117.16 113.96 2vwt n TYR 40 Ca -0.04 0.41 -0.09 0.00 -0.01 0.00 0.00 57.90 58.17 2vwt n TYR 40 Cb 0.56 -2.15 0.06 0.00 -0.02 0.00 0.00 39.34 37.79 2vwt n TYR 40 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2vwt h ASP 41 N -0.50 0.78 -5.14 7.72 3.32 -1.14 -3.36 116.42 118.10 2vwt h ASP 41 Ca -0.48 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.14 2vwt h ASP 41 Cb 1.31 -0.22 -0.16 0.00 0.22 0.00 0.00 39.33 40.49 2vwt h ASP 41 CO 0.48 1.04 -0.47 -1.66 -1.72 0.00 0.00 179.24 176.91 2vwt s TRP 42 N -4.42 0.21 -0.10 4.55 1.48 -0.96 -1.95 118.94 117.74 2vwt s TRP 42 Ca -0.09 -0.60 -0.01 0.00 -1.06 0.00 0.00 56.10 54.34 2vwt s TRP 42 Cb 0.12 -0.13 0.03 0.00 -1.16 0.00 0.00 33.47 32.33 2vwt s TRP 42 CO 0.84 -0.45 -0.04 -0.51 -4.06 0.00 0.00 176.95 172.74 2vwt s LEU 43 N -2.55 0.97 -0.41 -4.66 1.43 -0.36 -1.86 118.68 111.23 2vwt s LEU 43 Ca 0.01 -0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2vwt s LEU 43 Cb 0.03 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.60 2vwt s LEU 43 CO -0.08 -0.17 0.66 -0.22 0.23 0.00 0.00 176.35 176.78 2vwt s LEU 44 N 1.82 4.39 -0.53 1.79 1.98 0.30 -1.15 118.68 127.27 2vwt s LEU 44 Ca 0.04 -0.15 -0.23 0.00 -2.89 0.00 0.00 54.13 50.90 2vwt s LEU 44 Cb -0.13 -2.78 0.04 0.00 0.66 0.00 0.00 46.19 43.98 2vwt s LEU 44 CO -0.07 -0.74 0.86 -0.63 -1.89 0.00 0.00 176.35 173.88 2vwt s ILE 45 N 2.86 4.52 -0.93 6.68 1.01 0.28 0.59 121.20 136.20 2vwt s ILE 45 Ca 0.24 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.83 2vwt s ILE 45 Cb -0.14 -4.47 0.09 0.00 0.01 0.00 0.00 42.46 37.95 2vwt s ILE 45 CO 0.18 -1.01 1.25 -0.62 0.00 0.00 0.00 174.94 174.75 2vwt s ASP 46 N 2.73 6.52 -0.00 3.58 2.15 -0.85 -1.99 116.67 128.81 2vwt s ASP 46 Ca 0.27 -1.64 0.11 0.00 0.43 0.00 0.00 52.55 51.72 2vwt s ASP 46 Cb -0.14 -2.48 0.32 0.00 -0.30 0.00 0.00 42.92 40.33 2vwt s ASP 46 CO 0.18 -1.31 1.27 0.61 -0.17 0.00 0.00 175.17 175.75 2vwt n GLY 47 N 6.04 0.72 0.14 2.66 0.00 0.10 -3.27 105.19 111.57 2vwt n GLY 47 Ca 0.24 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2vwt n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vwt n GLU 48 N 0.56 0.60 -0.14 1.61 2.13 -1.20 -2.90 120.64 121.30 2vwt n GLU 48 Ca 0.12 0.27 0.07 0.00 0.66 0.00 0.00 57.16 58.28 2vwt n GLU 48 Cb 0.31 -1.51 0.14 0.00 0.27 0.00 0.00 31.44 30.66 2vwt n GLU 48 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2vwt n HIS 49 N -4.17 0.37 -4.39 4.31 8.25 -1.26 -4.90 115.22 113.43 2vwt n HIS 49 Ca -0.53 -0.31 -0.26 0.00 -0.26 0.00 0.00 57.72 56.36 2vwt n HIS 49 Cb 0.89 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.86 2vwt n HIS 49 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vwt s ALA 50 N -1.07 1.95 -1.56 -1.41 0.00 -1.20 -5.05 121.76 113.41 2vwt s ALA 50 Ca 0.25 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 2vwt s ALA 50 Cb 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2vwt s ALA 50 CO 0.19 0.41 2.81 -0.35 0.00 0.00 0.00 175.76 178.83 2vwt n PRO 51 N 1.20 3.86 -2.80 0.00 -0.04 -1.26 -4.62 135.00 131.34 2vwt n PRO 51 Ca -0.19 -2.49 -0.41 0.00 -0.04 0.00 0.00 63.50 60.38 2vwt n PRO 51 Cb 0.53 -2.79 -0.04 0.00 -0.04 0.00 0.00 33.50 31.16 2vwt n PRO 51 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2vwt s ASN 52 N 1.83 7.39 0.64 3.54 0.01 -1.26 -5.00 114.94 122.08 2vwt s ASN 52 Ca 0.66 1.67 -0.03 0.00 -0.71 0.00 0.00 52.86 54.45 2vwt s ASN 52 Cb 0.18 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 39.34 2vwt s ASN 52 CO -0.07 -0.08 0.90 0.42 -1.51 0.00 0.00 177.10 176.77 2vwt s THR 53 N 0.17 2.45 0.46 1.60 -4.23 -1.26 -4.93 115.64 109.89 2vwt s THR 53 Ca 0.45 -0.47 0.12 0.00 -1.18 0.00 0.00 61.69 60.62 2vwt s THR 53 Cb -0.22 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 70.92 2vwt s THR 53 CO 0.28 0.00 2.07 -0.29 -0.54 0.00 0.00 174.62 176.14 2vwt h ILE 54 N -0.29 1.01 -0.49 2.99 6.09 -1.99 -1.25 117.51 123.57 2vwt h ILE 54 Ca -0.43 -0.11 -0.12 0.00 -1.37 0.00 0.00 64.86 62.83 2vwt h ILE 54 Cb 1.30 0.67 -0.02 0.00 0.47 0.00 0.00 36.82 39.25 2vwt h ILE 54 CO 0.55 0.06 -0.17 1.56 -3.07 0.00 0.00 178.15 177.08 2vwt h GLN 55 N 0.31 0.97 -0.46 2.19 1.08 -1.99 -0.56 115.11 116.65 2vwt h GLN 55 Ca 0.13 -0.39 -0.03 0.00 -1.45 0.00 0.00 58.65 56.91 2vwt h GLN 55 Cb 0.14 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2vwt h GLN 55 CO -0.03 1.06 0.15 -0.44 -0.95 0.00 0.00 178.83 178.62 2vwt h ASP 56 N 0.85 0.67 -0.45 1.46 3.32 -1.67 -0.55 116.42 120.05 2vwt h ASP 56 Ca 0.12 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.01 2vwt h ASP 56 Cb 0.73 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2vwt h ASP 56 CO 0.06 0.69 0.21 -0.07 -1.72 0.00 0.00 179.24 178.40 2vwt h LEU 57 N 0.61 0.28 -0.32 1.55 3.38 -1.05 -1.47 115.31 118.29 2vwt h LEU 57 Ca 0.15 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.21 2vwt h LEU 57 Cb 0.25 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2vwt h LEU 57 CO -0.01 0.20 0.00 0.22 0.09 0.00 0.00 178.44 178.95 2vwt h TYR 58 N 0.41 -0.01 -0.32 1.13 3.20 -0.74 -1.97 116.97 118.68 2vwt h TYR 58 Ca 0.20 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 2vwt h TYR 58 Cb 0.13 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2vwt h TYR 58 CO -0.12 -0.05 -0.24 0.45 -1.64 0.00 0.00 178.16 176.56 2vwt h HIS 59 N 0.10 0.70 -0.35 -3.82 3.86 -0.67 -1.33 115.15 113.64 2vwt h HIS 59 Ca 0.16 -0.16 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 2vwt h HIS 59 Cb 0.21 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2vwt h HIS 59 CO -0.23 0.81 -0.18 1.96 0.86 0.00 0.00 177.93 181.14 2vwt h GLN 60 N 0.54 0.65 -0.57 2.45 4.20 -1.04 0.12 115.11 121.46 2vwt h GLN 60 Ca 0.08 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2vwt h GLN 60 Cb 0.71 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 2vwt h GLN 60 CO 0.05 0.80 0.32 -0.07 -0.67 0.00 0.00 178.83 179.26 2vwt h LEU 61 N 0.59 0.71 -0.57 1.46 3.38 -0.98 -1.98 115.31 117.92 2vwt h LEU 61 Ca 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2vwt h LEU 61 Cb 0.64 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2vwt h LEU 61 CO 0.05 0.59 0.26 1.56 0.09 0.00 0.00 178.44 180.99 2vwt h GLN 62 N 0.77 0.82 -0.11 1.13 4.20 -0.95 -1.42 115.11 119.55 2vwt h GLN 62 Ca 0.20 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2vwt h GLN 62 Cb 0.03 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2vwt h GLN 62 CO -0.03 0.68 -0.05 0.00 -0.67 0.00 0.00 178.83 178.75 2vwt h ALA 63 N 1.10 0.05 0.00 3.87 0.00 -0.78 -3.14 119.26 120.35 2vwt h ALA 63 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2vwt h ALA 63 Cb 0.14 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2vwt h ALA 63 CO -0.02 -0.51 -0.14 1.33 0.00 0.00 0.00 179.25 179.91 2vwt n VAL 64 N -5.19 0.55 -0.30 0.00 0.24 -0.76 -4.42 118.33 108.45 2vwt n VAL 64 Ca -0.04 -0.28 0.14 0.00 -2.04 0.00 0.00 64.34 62.11 2vwt n VAL 64 Cb 0.11 -0.48 0.31 0.00 -1.47 0.00 0.00 33.84 32.31 2vwt n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vwt h ALA 65 N 2.52 1.39 -0.01 2.33 0.00 -1.21 -0.97 119.26 123.31 2vwt h ALA 65 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2vwt h ALA 65 Cb 0.74 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2vwt h ALA 65 CO 0.00 -0.41 -0.04 -0.35 0.00 0.00 0.00 179.25 178.45 2vwt n PRO 66 N -5.12 1.03 -3.32 0.00 -0.04 -1.26 -4.87 135.00 121.42 2vwt n PRO 66 Ca 0.22 -0.33 -0.23 0.00 -0.04 0.00 0.00 63.50 63.12 2vwt n PRO 66 Cb 0.68 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 2vwt n PRO 66 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2vwt s TYR 67 N -2.20 3.35 0.34 0.54 2.02 -0.37 -5.02 117.35 116.01 2vwt s TYR 67 Ca 0.38 0.20 0.08 0.00 -0.37 0.00 0.00 57.07 57.35 2vwt s TYR 67 Cb 0.21 -2.02 0.62 0.00 -0.40 0.00 0.00 41.96 40.38 2vwt s TYR 67 CO 0.40 -0.02 1.82 0.00 -1.57 0.00 0.00 175.55 176.18 2vwt h ALA 68 N 0.69 1.32 -2.64 3.71 0.00 -1.85 -3.45 119.26 117.05 2vwt h ALA 68 Ca -0.48 -0.29 -0.52 0.00 0.00 0.00 0.00 54.91 53.61 2vwt h ALA 68 Cb 1.24 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 18.99 2vwt h ALA 68 CO 0.59 0.46 1.01 -1.12 0.00 0.00 0.00 179.25 180.19 2vwt s SER 69 N -6.86 6.39 -0.16 0.00 0.01 -1.26 -4.97 113.70 106.86 2vwt s SER 69 Ca -0.05 2.85 -0.18 0.00 1.31 0.00 0.00 55.95 59.88 2vwt s SER 69 Cb 0.15 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2vwt s SER 69 CO 0.75 -0.97 0.48 -1.10 0.41 0.00 0.00 173.24 172.82 2vwt s GLN 70 N 1.29 4.27 0.28 12.44 -1.52 -0.83 -4.87 119.66 130.71 2vwt s GLN 70 Ca 0.75 0.41 -0.28 0.00 -1.95 0.00 0.00 55.36 54.29 2vwt s GLN 70 Cb -0.49 -3.49 -0.09 0.00 -0.22 0.00 0.00 33.01 28.71 2vwt s GLN 70 CO 0.32 0.02 0.95 -1.25 -0.25 0.00 0.00 175.29 175.08 2vwt s PRO 71 N 1.08 4.73 -0.06 2.91 0.04 -1.26 -1.23 135.00 141.21 2vwt s PRO 71 Ca 0.24 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.75 2vwt s PRO 71 Cb -0.15 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2vwt s PRO 71 CO 0.10 0.41 -0.17 0.08 0.04 0.00 0.00 177.00 177.45 2vwt s VAL 72 N -1.37 1.47 -0.17 -0.36 1.01 -0.30 -4.51 120.40 116.17 2vwt s VAL 72 Ca 0.45 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2vwt s VAL 72 Cb -0.23 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2vwt s VAL 72 CO 0.29 0.43 0.01 -0.63 0.00 0.00 0.00 175.10 175.19 2vwt s ILE 73 N 0.31 4.25 -0.29 2.22 -1.09 -0.74 -0.56 121.20 125.30 2vwt s ILE 73 Ca -0.11 -0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.01 2vwt s ILE 73 Cb -0.14 -2.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.84 2vwt s ILE 73 CO 0.04 0.48 0.11 -0.60 -1.23 0.00 0.00 174.94 173.74 2vwt s ARG 74 N 0.41 3.31 0.79 2.79 3.52 -0.84 -0.70 118.95 128.22 2vwt s ARG 74 Ca -0.01 -0.72 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 2vwt s ARG 74 Cb -0.13 -3.45 0.09 0.00 -1.56 0.00 0.00 34.95 29.89 2vwt s ARG 74 CO 0.02 -0.39 1.14 -1.25 -0.81 0.00 0.00 175.30 174.01 2vwt s PRO 75 N 1.57 1.90 0.30 5.12 0.04 -1.26 0.03 135.00 142.70 2vwt s PRO 75 Ca 0.04 -0.09 -0.01 0.00 0.04 0.00 0.00 61.00 60.99 2vwt s PRO 75 Cb -0.17 -2.02 0.48 0.00 0.04 0.00 0.00 34.50 32.83 2vwt s PRO 75 CO 0.04 -1.56 1.93 0.28 0.04 0.00 0.00 177.00 177.73 2vwt h VAL 76 N -0.96 1.13 -3.42 -0.36 2.07 -1.88 -3.35 116.25 109.48 2vwt h VAL 76 Ca -0.45 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 2vwt h VAL 76 Cb 1.31 -0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.92 2vwt h VAL 76 CO 0.61 0.20 -0.05 -1.83 0.02 0.00 0.00 177.57 176.52 2vwt s GLU 77 N -5.93 1.30 -0.32 1.57 -1.05 -1.26 -4.82 118.70 108.18 2vwt s GLU 77 Ca -0.12 -0.90 -0.05 0.00 -0.15 0.00 0.00 54.97 53.76 2vwt s GLU 77 Cb 0.19 0.49 -0.09 0.00 -0.44 0.00 0.00 34.13 34.28 2vwt s GLU 77 CO 0.80 -0.53 3.15 0.41 0.95 0.00 0.00 175.26 180.04 2vwt n GLY 78 N -0.30 3.78 3.85 -3.83 0.00 -1.26 -4.63 105.19 102.80 2vwt n GLY 78 Ca -0.10 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 2vwt n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vwt s SER 79 N 1.15 6.22 0.16 1.61 1.04 -1.26 -4.82 113.70 117.80 2vwt s SER 79 Ca 0.63 1.53 -0.23 0.00 0.48 0.00 0.00 55.95 58.36 2vwt s SER 79 Cb 0.34 -2.49 0.04 0.00 0.10 0.00 0.00 66.02 64.01 2vwt s SER 79 CO -0.11 -0.87 1.61 0.11 0.98 0.00 0.00 173.24 174.96 2vwt h LYS 80 N 0.11 -0.26 -0.20 4.02 1.57 -1.93 -1.62 116.57 118.26 2vwt h LYS 80 Ca -0.45 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 2vwt h LYS 80 Cb 1.19 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2vwt h LYS 80 CO 0.61 -0.17 -0.24 -1.00 -0.57 0.00 0.00 179.45 178.08 2vwt h PRO 81 N -0.27 0.36 -0.05 3.15 0.13 -1.97 -0.78 132.00 132.58 2vwt h PRO 81 Ca 0.15 -0.12 -0.18 0.00 -0.87 0.00 0.00 66.00 64.97 2vwt h PRO 81 Cb 0.51 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2vwt h PRO 81 CO -0.46 0.58 -0.76 -0.07 -0.23 0.00 0.00 178.00 177.06 2vwt h LEU 82 N 0.33 0.39 -0.46 1.56 3.38 -1.83 -0.79 115.31 117.88 2vwt h LEU 82 Ca 0.05 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 2vwt h LEU 82 Cb 0.60 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2vwt h LEU 82 CO 0.04 1.01 -0.32 0.40 0.09 0.00 0.00 178.44 179.66 2vwt h ILE 83 N 0.21 1.27 0.04 1.22 2.04 -1.24 -2.57 117.51 118.48 2vwt h ILE 83 Ca -0.03 -1.49 0.03 0.00 1.00 0.00 0.00 64.86 64.36 2vwt h ILE 83 Cb 1.34 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 2vwt h ILE 83 CO 0.12 0.50 -0.23 0.50 0.00 0.00 0.00 178.15 179.05 2vwt h LYS 84 N 0.77 -0.36 -0.38 2.37 3.64 -0.94 -0.48 116.57 121.20 2vwt h LYS 84 Ca 0.08 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2vwt h LYS 84 Cb 0.90 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 2vwt h LYS 84 CO 0.08 -0.24 -0.09 1.96 -2.27 0.00 0.00 179.45 178.89 2vwt h GLN 85 N -0.38 0.00 -0.03 1.90 4.20 -1.07 -1.29 115.11 118.45 2vwt h GLN 85 Ca 0.05 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 2vwt h GLN 85 Cb 0.44 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2vwt h GLN 85 CO -0.18 0.00 -0.78 -0.39 -0.67 0.00 0.00 178.83 176.81 2vwt h VAL 86 N 0.00 1.45 -0.76 -0.54 -1.51 -1.16 -2.89 116.25 110.83 2vwt h VAL 86 Ca 0.18 -2.37 -0.02 0.00 -1.23 0.00 0.00 66.70 63.26 2vwt h VAL 86 Cb 0.28 2.29 -0.04 0.00 -2.13 0.00 0.00 31.29 31.69 2vwt h VAL 86 CO -0.39 0.70 0.40 -0.07 -1.23 0.00 0.00 177.57 176.98 2vwt h LEU 87 N 0.15 0.97 -1.34 4.19 3.38 -0.96 -2.58 115.31 119.13 2vwt h LEU 87 Ca -0.03 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2vwt h LEU 87 Cb 1.37 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2vwt h LEU 87 CO 0.12 0.81 -0.33 0.44 0.09 0.00 0.00 178.44 179.57 2vwt h ASP 88 N 1.06 0.00 -0.00 -0.43 3.32 -1.04 -1.60 116.42 117.73 2vwt h ASP 88 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2vwt h ASP 88 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2vwt h ASP 88 CO -0.04 0.33 0.00 2.30 -1.72 0.00 0.00 179.24 180.11 2vwt n ILE 89 N -3.98 0.00 -0.63 0.35 -5.35 -1.12 -1.44 119.36 107.20 2vwt n ILE 89 Ca -0.02 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2vwt n ILE 89 Cb 0.38 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 2vwt n ILE 89 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vwt n GLY 90 N 0.94 0.61 3.59 3.28 0.00 -0.60 -4.32 105.19 108.69 2vwt n GLY 90 Ca 0.20 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2vwt n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwt s ALA 91 N -2.00 2.80 -0.98 4.61 0.00 -0.98 -4.87 121.76 120.33 2vwt s ALA 91 Ca 0.00 0.21 0.24 0.00 0.00 0.00 0.00 51.96 52.41 2vwt s ALA 91 Cb 0.00 -4.04 0.30 0.00 0.00 0.00 0.00 23.12 19.38 2vwt s ALA 91 CO 0.00 -2.75 1.27 1.04 0.00 0.00 0.00 175.76 175.32 2vwt n GLN 92 N 8.50 0.01 -3.98 0.00 6.02 -1.26 -4.50 117.38 122.16 2vwt n GLN 92 Ca 0.23 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.95 2vwt n GLN 92 Cb 0.47 -1.50 -0.17 0.00 1.02 0.00 0.00 30.24 30.06 2vwt n GLN 92 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2vwt s THR 93 N -3.01 1.09 -0.06 5.09 2.01 -1.26 -0.25 115.64 119.26 2vwt s THR 93 Ca 0.10 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.78 2vwt s THR 93 Cb 0.17 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2vwt s THR 93 CO 0.75 0.38 -0.11 -0.76 -0.69 0.00 0.00 174.62 174.18 2vwt s LEU 94 N 1.58 2.92 -0.28 4.42 1.43 -0.43 -1.80 118.68 126.53 2vwt s LEU 94 Ca 0.03 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 2vwt s LEU 94 Cb -0.13 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.50 2vwt s LEU 94 CO -0.07 0.35 0.02 -0.22 0.23 0.00 0.00 176.35 176.66 2vwt s LEU 95 N -0.77 3.66 -0.24 1.79 2.96 0.12 -1.51 118.68 124.70 2vwt s LEU 95 Ca 0.12 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 53.06 2vwt s LEU 95 Cb -0.11 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2vwt s LEU 95 CO 0.01 -0.19 0.11 -0.63 -1.32 0.00 0.00 176.35 174.33 2vwt s ILE 96 N 1.40 4.78 0.65 6.68 -1.09 0.46 -4.09 121.20 129.99 2vwt s ILE 96 Ca 0.00 -0.02 -0.10 0.00 -2.23 0.00 0.00 60.65 58.30 2vwt s ILE 96 Cb -0.18 -3.23 -0.01 0.00 -1.58 0.00 0.00 42.46 37.47 2vwt s ILE 96 CO -0.00 0.35 1.03 -2.16 -1.23 0.00 0.00 174.94 172.93 2vwt s PRO 97 N 1.28 3.18 -1.30 2.79 0.04 -1.26 -0.75 135.00 138.98 2vwt s PRO 97 Ca 0.06 0.50 -0.02 0.00 0.04 0.00 0.00 61.00 61.58 2vwt s PRO 97 Cb -0.15 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2vwt s PRO 97 CO 0.05 -0.78 0.87 -1.33 0.04 0.00 0.00 177.00 175.84 2vwt n MET 98 N -2.82 -5.79 -3.09 4.56 2.81 -1.25 -4.57 117.12 106.96 2vwt n MET 98 Ca 0.06 0.71 -0.45 0.00 -1.81 0.00 0.00 57.70 56.21 2vwt n MET 98 Cb 0.56 -5.49 -0.04 0.00 -0.71 0.00 0.00 33.22 27.53 2vwt n MET 98 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2vwt s VAL 99 N -3.50 4.79 -0.11 2.03 1.01 -0.65 -4.89 120.40 119.08 2vwt s VAL 99 Ca 0.11 -0.97 0.22 0.00 0.00 0.00 0.00 61.98 61.34 2vwt s VAL 99 Cb -0.05 -4.51 -0.28 0.00 0.00 0.00 0.00 36.38 31.54 2vwt s VAL 99 CO 0.78 -1.16 0.59 0.47 0.00 0.00 0.00 175.10 175.78 2vwt n ASP 100 N 6.41 0.17 -4.15 3.32 8.00 -1.26 -4.42 116.55 124.63 2vwt n ASP 100 Ca -0.09 0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.33 2vwt n ASP 100 Cb 0.43 1.71 -0.10 0.00 -0.02 0.00 0.00 41.12 43.14 2vwt n ASP 100 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2vwt s THR 101 N -3.47 0.43 0.36 -3.53 -4.23 -1.26 -3.36 115.64 100.58 2vwt s THR 101 Ca -0.06 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 2vwt s THR 101 Cb 0.13 -1.74 0.19 0.00 1.34 0.00 0.00 72.50 72.42 2vwt s THR 101 CO 0.89 -0.80 1.93 0.00 -0.54 0.00 0.00 174.62 176.10 2vwt h ALA 102 N 2.98 1.48 -0.53 3.99 0.00 -1.88 -1.64 119.26 123.67 2vwt h ALA 102 Ca -0.35 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 2vwt h ALA 102 Cb 1.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2vwt h ALA 102 CO 0.64 0.38 -0.10 1.49 0.00 0.00 0.00 179.25 181.66 2vwt h GLU 103 N 0.47 0.98 -0.36 0.00 4.57 -1.96 0.04 114.58 118.32 2vwt h GLU 103 Ca 0.11 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 2vwt h GLU 103 Cb 0.23 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2vwt h GLU 103 CO 0.00 1.02 0.11 1.96 -1.18 0.00 0.00 179.01 180.93 2vwt h GLN 104 N 0.88 0.56 -0.46 1.92 4.20 -1.90 -1.88 115.11 118.42 2vwt h GLN 104 Ca 0.14 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2vwt h GLN 104 Cb 0.64 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 2vwt h GLN 104 CO 0.04 0.58 0.27 0.00 -0.67 0.00 0.00 178.83 179.06 2vwt h ALA 105 N 0.95 0.59 -0.88 3.87 0.00 -1.04 -0.58 119.26 122.17 2vwt h ALA 105 Ca 0.12 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2vwt h ALA 105 Cb 0.25 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2vwt h ALA 105 CO -0.00 -0.04 0.56 0.00 0.00 0.00 0.00 179.25 179.77 2vwt h ARG 106 N 0.55 1.03 -0.37 0.00 3.08 -0.94 -1.91 114.38 115.82 2vwt h ARG 106 Ca 0.19 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 2vwt h ARG 106 Cb 0.02 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2vwt h ARG 106 CO -0.09 0.68 -0.16 1.96 -1.07 0.00 0.00 179.97 181.30 2vwt h GLN 107 N 1.06 0.67 -0.33 0.04 4.20 -0.71 -1.30 115.11 118.74 2vwt h GLN 107 Ca 0.37 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 2vwt h GLN 107 Cb 0.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2vwt h GLN 107 CO -0.14 0.80 0.05 0.28 -0.67 0.00 0.00 178.83 179.14 2vwt h VAL 108 N 0.60 1.24 -0.48 -0.54 2.07 -0.93 -2.11 116.25 116.10 2vwt h VAL 108 Ca 0.10 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2vwt h VAL 108 Cb 0.61 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2vwt h VAL 108 CO 0.04 0.28 0.30 0.58 0.02 0.00 0.00 177.57 178.79 2vwt h VAL 109 N 0.38 1.08 -0.86 2.57 2.07 -1.07 -2.41 116.25 118.01 2vwt h VAL 109 Ca 0.10 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2vwt h VAL 109 Cb 0.37 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2vwt h VAL 109 CO 0.01 0.11 0.47 -1.28 0.02 0.00 0.00 177.57 176.90 2vwt h SER 110 N 0.60 1.07 0.07 0.57 0.87 -1.20 -1.44 113.55 114.09 2vwt h SER 110 Ca 0.19 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2vwt h SER 110 Cb -0.02 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 2vwt h SER 110 CO -0.07 0.86 -0.02 0.00 -0.53 0.00 0.00 176.83 177.07 2vwt h ALA 111 N 1.32 1.32 -0.01 6.23 0.00 -0.89 0.15 119.26 127.38 2vwt h ALA 111 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2vwt h ALA 111 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2vwt h ALA 111 CO -0.05 0.02 -0.34 0.25 0.00 0.00 0.00 179.25 179.13 2vwt n THR 112 N -3.57 0.00 -5.21 0.00 -2.24 -0.55 -3.85 114.28 98.85 2vwt n THR 112 Ca -0.03 -0.11 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 2vwt n THR 112 Cb 0.10 0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.63 2vwt n THR 112 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2vwt s ARG 113 N -2.60 2.16 0.71 -0.78 0.52 -0.77 -4.90 118.95 113.29 2vwt s ARG 113 Ca 0.21 -0.90 -0.13 0.00 -0.52 0.00 0.00 55.73 54.39 2vwt s ARG 113 Cb 0.19 -2.09 0.03 0.00 0.52 0.00 0.00 34.95 33.59 2vwt s ARG 113 CO 0.56 0.57 1.11 0.71 0.02 0.00 0.00 175.30 178.27 2vwt s TYR 114 N -0.64 2.56 0.82 -0.53 2.02 -1.26 -0.77 117.35 119.54 2vwt s TYR 114 Ca 0.10 1.56 -0.13 0.00 -0.37 0.00 0.00 57.07 58.24 2vwt s TYR 114 Cb -0.10 -3.14 0.09 0.00 -0.40 0.00 0.00 41.96 38.41 2vwt s TYR 114 CO -0.01 -1.79 1.19 -2.14 -1.57 0.00 0.00 175.55 171.24 2vwt s PRO 115 N -4.40 1.59 0.00 -1.71 0.02 -1.18 -0.76 135.00 128.55 2vwt s PRO 115 Ca 0.65 1.70 0.30 0.00 0.02 0.00 0.00 61.00 63.67 2vwt s PRO 115 Cb -0.20 -1.78 1.40 0.00 0.02 0.00 0.00 34.50 33.95 2vwt s PRO 115 CO 0.47 -2.24 1.98 -0.35 -0.33 0.00 0.00 177.00 176.53 2vwt n PRO 116 N -3.42 0.45 -0.09 5.54 -0.04 -1.26 -4.79 135.00 131.39 2vwt n PRO 116 Ca 0.13 -0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2vwt n PRO 116 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2vwt n PRO 116 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2vwt h TYR 117 N 0.14 1.07 -1.40 0.54 -1.99 -1.84 -3.47 116.97 110.02 2vwt h TYR 117 Ca 0.00 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.38 2vwt h TYR 117 Cb 0.32 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2vwt h TYR 117 CO 0.00 1.16 0.00 0.41 -0.00 0.00 0.00 178.16 179.73 2vwt n GLY 118 N 0.22 6.01 0.15 3.88 0.00 0.06 -4.92 105.19 110.59 2vwt n GLY 118 Ca -0.03 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.40 2vwt n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vwt n GLU 119 N 0.00 1.20 -1.66 1.61 1.02 0.45 -3.10 120.64 120.16 2vwt n GLU 119 Ca 0.00 -1.69 -0.47 0.00 -0.02 0.00 0.00 57.16 54.97 2vwt n GLU 119 Cb 0.00 -1.02 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 2vwt n GLU 119 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2vwt n ARG 120 N -0.70 2.00 -2.38 3.49 0.63 0.05 -4.88 116.66 114.87 2vwt n ARG 120 Ca 0.07 0.72 -0.40 0.00 -0.92 0.00 0.00 57.85 57.32 2vwt n ARG 120 Cb 0.55 -2.48 -0.04 0.00 0.45 0.00 0.00 32.46 30.94 2vwt n ARG 120 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2vwt s GLY 121 N 1.31 3.04 -0.28 5.14 0.00 -1.26 -4.25 107.32 111.02 2vwt s GLY 121 Ca 0.82 0.99 -0.20 0.00 0.00 0.00 0.00 44.72 46.33 2vwt s GLY 121 CO 0.41 1.60 0.63 0.14 0.00 0.00 0.00 173.10 175.89 2vwt s VAL 122 N -1.17 4.96 -0.02 1.40 1.01 -1.26 -4.82 120.40 120.50 2vwt s VAL 122 Ca 0.46 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2vwt s VAL 122 Cb -0.34 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.09 2vwt s VAL 122 CO 0.44 -0.07 0.33 0.61 0.00 0.00 0.00 175.10 176.41 2vwt n GLY 123 N 4.32 -0.43 0.17 4.51 0.00 -1.26 -5.06 105.19 107.43 2vwt n GLY 123 Ca -0.01 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2vwt n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwt h ALA 124 N 0.05 0.99 0.00 4.61 0.00 -1.94 -3.03 119.26 119.93 2vwt h ALA 124 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2vwt h ALA 124 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2vwt h ALA 124 CO -0.04 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 2vwt n SER 125 N -2.71 0.21 -1.21 0.00 3.41 -1.26 -1.85 113.62 110.20 2vwt n SER 125 Ca 0.05 0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 59.15 2vwt n SER 125 Cb 0.49 -0.59 0.21 0.00 -0.26 0.00 0.00 64.21 64.06 2vwt n SER 125 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2vwt n VAL 126 N -1.72 2.57 -4.16 -3.33 0.24 -1.15 -3.83 118.33 106.96 2vwt n VAL 126 Ca 0.05 -2.54 -0.16 0.00 -2.04 0.00 0.00 64.34 59.65 2vwt n VAL 126 Cb 0.28 -0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 32.27 2vwt n VAL 126 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vwt s ALA 127 N -3.18 1.13 0.39 2.33 0.00 -0.77 -5.01 121.76 116.64 2vwt s ALA 127 Ca 0.45 -1.70 0.13 0.00 0.00 0.00 0.00 51.96 50.84 2vwt s ALA 127 Cb 0.40 1.28 0.78 0.00 0.00 0.00 0.00 23.12 25.57 2vwt s ALA 127 CO 0.02 -0.74 1.87 -0.09 0.00 0.00 0.00 175.76 176.82 2vwt h ARG 128 N 2.15 0.03 -0.87 0.00 2.43 -1.76 -1.90 114.38 114.46 2vwt h ARG 128 Ca -0.28 -0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.09 2vwt h ARG 128 Cb 1.24 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.67 2vwt h ARG 128 CO 0.39 0.34 0.37 0.00 -1.51 0.00 0.00 179.97 179.56 2vwt h ALA 129 N 1.66 1.35 -0.52 2.80 0.00 -1.44 0.18 119.26 123.30 2vwt h ALA 129 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2vwt h ALA 129 Cb 0.57 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2vwt h ALA 129 CO 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.99 2vwt n ALA 130 N -2.51 3.60 -4.10 0.00 0.00 -1.15 -4.87 120.51 111.48 2vwt n ALA 130 Ca 0.20 -1.96 -0.32 0.00 0.00 0.00 0.00 53.44 51.36 2vwt n ALA 130 Cb 0.60 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 2vwt n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vwt n ARG 131 N 0.46 -0.74 -3.93 0.00 5.12 0.63 -1.21 116.66 116.98 2vwt n ARG 131 Ca 0.26 0.05 -0.27 0.00 -1.93 0.00 0.00 57.85 55.96 2vwt n ARG 131 Cb 1.10 -2.84 0.00 0.00 -1.16 0.00 0.00 32.46 29.56 2vwt n ARG 131 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2vwt n TRP 132 N -4.33 -1.88 -0.51 -1.55 8.01 -0.72 -1.46 117.44 115.00 2vwt n TRP 132 Ca -0.23 0.81 0.00 0.00 -1.31 0.00 0.00 57.50 56.77 2vwt n TRP 132 Cb 0.58 -3.82 0.00 0.00 -2.01 0.00 0.00 31.31 26.06 2vwt n TRP 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2vwt n GLY 133 N -1.72 1.10 0.20 6.99 0.00 -0.35 -4.91 105.19 106.50 2vwt n GLY 133 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2vwt n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2vwt h ARG 134 N 3.44 0.00 -6.29 1.61 -0.00 -0.80 -3.38 114.38 108.96 2vwt h ARG 134 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.89 2vwt h ARG 134 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 29.87 2vwt h ARG 134 CO 0.00 0.26 0.69 0.42 0.00 0.00 0.00 179.97 181.34 2vwt s ILE 135 N -3.37 4.37 0.24 2.04 -1.09 -0.63 -4.22 121.20 118.54 2vwt s ILE 135 Ca 0.03 0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 58.98 2vwt s ILE 135 Cb 0.09 -4.50 -0.09 0.00 -1.58 0.00 0.00 42.46 36.37 2vwt s ILE 135 CO 0.67 -0.93 1.01 -1.61 -1.23 0.00 0.00 174.94 172.85 2vwt s GLU 136 N 4.01 4.75 -1.25 2.79 2.02 -1.22 -3.75 118.70 126.05 2vwt s GLU 136 Ca 0.39 1.62 -0.17 0.00 0.02 0.00 0.00 54.97 56.84 2vwt s GLU 136 Cb -0.09 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.89 2vwt s GLU 136 CO 0.27 0.36 0.62 0.09 0.02 0.00 0.00 175.26 176.62 2vwt n ASN 137 N 1.51 -3.26 -0.23 -0.19 5.03 -1.26 -4.85 115.26 112.01 2vwt n ASN 137 Ca -0.01 -1.09 -0.02 0.00 0.87 0.00 0.00 54.58 54.34 2vwt n ASN 137 Cb 0.46 -2.84 0.10 0.00 -1.02 0.00 0.00 39.78 36.48 2vwt n ASN 137 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2vwt h TYR 138 N -2.03 0.68 -0.22 3.10 3.20 -1.96 -2.07 116.97 117.67 2vwt h TYR 138 Ca -0.67 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.18 2vwt h TYR 138 Cb 1.38 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2vwt h TYR 138 CO 0.40 0.33 -0.10 0.52 -1.64 0.00 0.00 178.16 177.67 2vwt h MET 139 N 0.69 0.35 -0.46 1.82 2.86 -1.93 -0.39 114.93 117.87 2vwt h MET 139 Ca 0.30 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2vwt h MET 139 Cb 0.18 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2vwt h MET 139 CO -0.18 0.46 -0.04 0.00 1.06 0.00 0.00 176.91 178.21 2vwt h ALA 140 N 1.57 0.62 0.00 6.32 0.00 -1.83 -3.34 119.26 122.60 2vwt h ALA 140 Ca 0.07 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2vwt h ALA 140 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2vwt h ALA 140 CO 0.02 0.45 -0.60 1.96 0.00 0.00 0.00 179.25 181.08 2vwt h GLN 141 N 0.68 0.00 -0.43 0.00 4.20 -0.64 -3.42 115.11 115.49 2vwt h GLN 141 Ca 0.12 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 2vwt h GLN 141 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2vwt h GLN 141 CO 0.03 0.45 -0.06 -0.24 -0.67 0.00 0.00 178.83 178.34 2vwt h VAL 142 N 0.00 1.27 -0.79 -0.54 3.04 -1.23 -3.09 116.25 114.90 2vwt h VAL 142 Ca -0.02 -1.15 0.09 0.00 -1.01 0.00 0.00 66.70 64.61 2vwt h VAL 142 Cb 1.39 1.13 -0.07 0.00 -2.01 0.00 0.00 31.29 31.73 2vwt h VAL 142 CO 0.06 0.39 0.45 0.78 -1.01 0.00 0.00 177.57 178.24 2vwt h ASN 143 N 0.64 0.64 0.39 3.17 2.35 -1.83 -2.17 115.58 118.77 2vwt h ASN 143 Ca 0.12 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2vwt h ASN 143 Cb 0.58 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2vwt h ASN 143 CO 0.03 0.37 -0.19 -0.78 -1.65 0.00 0.00 177.43 175.22 2vwt h ASP 144 N 0.76 0.00 -0.02 5.81 3.58 -1.86 -2.92 116.42 121.77 2vwt h ASP 144 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2vwt h ASP 144 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2vwt h ASP 144 CO -0.24 0.19 -0.36 -1.20 -2.88 0.00 0.00 179.24 174.75 2vwt n SER 145 N -3.81 2.24 -4.77 2.28 7.64 -0.87 -4.91 113.62 111.41 2vwt n SER 145 Ca -0.02 -1.62 -0.38 0.00 1.01 0.00 0.00 58.87 57.87 2vwt n SER 145 Cb 0.29 0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 2vwt n SER 145 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2vwt s LEU 146 N -2.33 4.35 -0.19 -3.43 1.43 -0.89 -4.58 118.68 113.04 2vwt s LEU 146 Ca 0.20 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 2vwt s LEU 146 Cb 0.18 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.88 2vwt s LEU 146 CO 0.50 0.17 -0.19 0.00 0.23 0.00 0.00 176.35 177.06 2vwt s LEU 148 N 1.27 3.29 -0.13 0.00 2.96 -1.26 -1.32 118.68 123.49 2vwt s LEU 148 Ca 0.04 -0.65 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 2vwt s LEU 148 Cb -0.14 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 2vwt s LEU 148 CO -0.12 -0.11 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.89 2vwt s LEU 149 N 1.43 2.58 0.09 -0.68 1.43 -0.57 0.26 118.68 123.23 2vwt s LEU 149 Ca 0.03 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 2vwt s LEU 149 Cb -0.16 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2vwt s LEU 149 CO -0.02 0.14 -0.13 0.68 0.23 0.00 0.00 176.35 177.25 2vwt s VAL 150 N 0.49 3.15 -0.22 -1.59 -7.23 -0.42 -0.40 120.40 114.18 2vwt s VAL 150 Ca -0.10 -1.28 -0.15 0.00 -1.81 0.00 0.00 61.98 58.63 2vwt s VAL 150 Cb -0.16 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2vwt s VAL 150 CO 0.04 0.17 0.37 -1.10 -0.31 0.00 0.00 175.10 174.27 2vwt s GLN 151 N -2.00 4.13 -0.37 4.82 -0.21 0.07 -0.12 119.66 125.98 2vwt s GLN 151 Ca 0.19 0.12 -0.03 0.00 0.02 0.00 0.00 55.36 55.65 2vwt s GLN 151 Cb -0.11 -3.56 0.08 0.00 1.00 0.00 0.00 33.01 30.42 2vwt s GLN 151 CO 0.11 -0.07 0.13 0.14 -2.12 0.00 0.00 175.29 173.48 2vwt s VAL 152 N 1.43 3.32 0.00 1.09 -7.23 0.32 -1.64 120.40 117.69 2vwt s VAL 152 Ca 0.17 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.75 2vwt s VAL 152 Cb -0.15 -3.10 0.14 0.00 0.56 0.00 0.00 36.38 33.84 2vwt s VAL 152 CO 0.08 -0.43 0.98 -1.84 -0.31 0.00 0.00 175.10 173.58 2vwt n GLU 153 N 4.65 0.00 -4.25 4.82 0.28 -1.26 -4.23 120.64 120.65 2vwt n GLU 153 Ca -0.07 -1.19 -0.14 0.00 -0.16 0.00 0.00 57.16 55.59 2vwt n GLU 153 Cb 0.42 -0.14 -0.10 0.00 1.43 0.00 0.00 31.44 33.06 2vwt n GLU 153 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2vwt s SER 154 N -1.19 0.80 0.16 -1.84 1.04 -1.26 -2.49 113.70 108.92 2vwt s SER 154 Ca 0.11 -1.33 -0.16 0.00 0.48 0.00 0.00 55.95 55.06 2vwt s SER 154 Cb 0.13 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.55 2vwt s SER 154 CO -0.06 -0.73 1.75 0.50 0.98 0.00 0.00 173.24 175.68 2vwt h LYS 155 N 2.56 0.29 -0.30 4.02 3.64 -1.86 -0.34 116.57 124.58 2vwt h LYS 155 Ca -0.37 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 2vwt h LYS 155 Cb 1.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2vwt h LYS 155 CO 0.59 0.19 0.15 1.15 -2.27 0.00 0.00 179.45 179.26 2vwt h THR 156 N 0.30 1.15 -0.66 1.00 2.02 -1.96 -0.93 112.91 113.82 2vwt h THR 156 Ca 0.17 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.98 2vwt h THR 156 Cb 0.14 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 2vwt h THR 156 CO -0.17 0.15 0.37 0.00 0.37 0.00 0.00 175.52 176.24 2vwt h ALA 157 N 1.00 0.88 -0.31 6.16 0.00 -1.52 -1.85 119.26 123.63 2vwt h ALA 157 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2vwt h ALA 157 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2vwt h ALA 157 CO -0.01 0.05 0.19 -0.07 0.00 0.00 0.00 179.25 179.41 2vwt h LEU 158 N 0.68 0.33 -1.94 0.00 3.38 -0.79 -1.95 115.31 115.03 2vwt h LEU 158 Ca 0.29 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.38 2vwt h LEU 158 Cb 0.17 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2vwt h LEU 158 CO -0.18 0.24 0.32 0.44 0.09 0.00 0.00 178.44 179.35 2vwt h ASP 159 N 0.40 0.06 -0.68 -0.43 3.32 -0.81 -2.58 116.42 115.70 2vwt h ASP 159 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2vwt h ASP 159 Cb -0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2vwt h ASP 159 CO -0.03 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 2vwt n ASN 160 N -4.42 4.32 -0.18 6.45 3.02 -0.73 -4.72 115.26 118.99 2vwt n ASN 160 Ca 0.08 -2.22 -0.07 0.00 -0.03 0.00 0.00 54.58 52.34 2vwt n ASN 160 Cb 0.48 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2vwt n ASN 160 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2vwt h LEU 161 N 4.12 0.63 -0.46 3.41 5.85 -0.98 -1.26 115.31 126.62 2vwt h LEU 161 Ca 0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2vwt h LEU 161 Cb 1.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2vwt h LEU 161 CO 0.11 0.48 0.27 0.44 -0.34 0.00 0.00 178.44 179.40 2vwt h ASP 162 N 0.72 0.56 -0.39 1.25 3.32 -1.84 -0.48 116.42 119.57 2vwt h ASP 162 Ca 0.19 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2vwt h ASP 162 Cb -0.04 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2vwt h ASP 162 CO -0.04 0.47 0.15 -0.08 -1.72 0.00 0.00 179.24 178.02 2vwt h GLU 163 N 0.61 0.58 -0.58 3.56 4.81 -1.84 -1.84 114.58 119.87 2vwt h GLU 163 Ca 0.16 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2vwt h GLU 163 Cb 0.02 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2vwt h GLU 163 CO -0.03 0.55 0.34 0.82 -0.73 0.00 0.00 179.01 179.97 2vwt h ILE 164 N 0.48 1.04 0.00 2.32 2.04 -1.04 -1.60 117.51 120.75 2vwt h ILE 164 Ca 0.13 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2vwt h ILE 164 Cb 0.19 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2vwt h ILE 164 CO -0.01 0.12 -0.01 -0.07 0.00 0.00 0.00 178.15 178.18 2vwt h LEU 165 N 0.67 0.00 0.00 1.44 3.38 -0.68 -1.71 115.31 118.42 2vwt h LEU 165 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2vwt h LEU 165 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2vwt h LEU 165 CO -0.12 0.01 -0.02 0.47 0.09 0.00 0.00 178.44 178.88 2vwt n ASP 166 N -3.50 0.44 -4.66 -0.43 8.00 -0.61 -4.86 116.55 110.95 2vwt n ASP 166 Ca -0.03 0.52 -0.43 0.00 0.71 0.00 0.00 54.79 55.57 2vwt n ASP 166 Cb 0.10 -0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 2vwt n ASP 166 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2vwt s VAL 167 N -3.06 3.98 0.21 2.53 1.01 -0.64 -4.99 120.40 119.44 2vwt s VAL 167 Ca 0.12 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 2vwt s VAL 167 Cb 0.15 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 2vwt s VAL 167 CO 0.57 -0.15 1.23 -0.70 0.00 0.00 0.00 175.10 176.05 2vwt s GLU 168 N 3.83 4.46 0.00 2.72 -6.30 -1.26 -3.42 118.70 118.73 2vwt s GLU 168 Ca 0.63 1.95 0.00 0.00 -2.50 0.00 0.00 54.97 55.04 2vwt s GLU 168 Cb -0.26 -3.21 0.00 0.00 0.00 0.00 0.00 34.13 30.66 2vwt s GLU 168 CO 0.21 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.78 2vwt n GLY 169 N 2.06 1.63 3.65 -1.50 0.00 -1.26 -4.97 105.19 104.80 2vwt n GLY 169 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2vwt n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vwt s ILE 170 N -2.29 4.66 -0.12 -0.61 -1.09 -1.22 -4.54 121.20 115.99 2vwt s ILE 170 Ca 0.00 1.84 0.17 0.00 -2.23 0.00 0.00 60.65 60.43 2vwt s ILE 170 Cb 0.00 -4.30 -0.15 0.00 -1.58 0.00 0.00 42.46 36.43 2vwt s ILE 170 CO 0.00 -0.25 0.79 0.47 -1.23 0.00 0.00 174.94 174.72 2vwt n ASP 171 N 6.41 0.82 -3.62 3.58 8.00 0.14 -4.98 116.55 126.91 2vwt n ASP 171 Ca 0.11 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.84 2vwt n ASP 171 Cb 0.47 0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.72 2vwt n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2vwt s GLY 172 N -4.82 -0.34 -0.16 0.44 0.00 -0.92 -2.31 107.32 99.21 2vwt s GLY 172 Ca -0.03 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.05 2vwt s GLY 172 CO 0.81 0.07 -0.21 0.14 0.00 0.00 0.00 173.10 173.92 2vwt s VAL 173 N -2.79 2.05 -0.14 1.40 1.01 -0.20 -1.30 120.40 120.43 2vwt s VAL 173 Ca -0.03 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2vwt s VAL 173 Cb -0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2vwt s VAL 173 CO -0.05 0.54 0.06 0.12 0.00 0.00 0.00 175.10 175.77 2vwt s PHE 174 N 1.12 3.29 -0.23 5.22 2.19 0.83 -0.54 117.98 129.85 2vwt s PHE 174 Ca 0.01 0.18 -0.05 0.00 0.33 0.00 0.00 56.93 57.40 2vwt s PHE 174 Cb -0.14 -1.96 -0.02 0.00 -1.31 0.00 0.00 43.02 39.59 2vwt s PHE 174 CO -0.09 0.35 -0.00 0.42 1.83 0.00 0.00 175.22 177.73 2vwt s ILE 175 N -0.27 3.72 -0.44 3.12 1.01 0.03 -0.52 121.20 127.84 2vwt s ILE 175 Ca 0.08 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 2vwt s ILE 175 Cb -0.12 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.68 2vwt s ILE 175 CO 0.02 0.40 0.46 -0.83 0.00 0.00 0.00 174.94 174.98 2vwt s GLY 176 N 1.49 1.90 0.31 6.18 0.00 -1.26 -3.88 107.32 112.05 2vwt s GLY 176 Ca 0.06 -1.64 0.06 0.00 0.00 0.00 0.00 44.72 43.20 2vwt s GLY 176 CO -0.01 1.19 1.73 -0.56 0.00 0.00 0.00 173.10 175.46 2vwt h PRO 177 N 8.77 0.28 -0.14 2.90 0.13 -1.96 -1.95 132.00 140.03 2vwt h PRO 177 Ca -0.27 -0.12 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 2vwt h PRO 177 Cb 1.11 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2vwt h PRO 177 CO 0.83 0.59 -0.14 0.00 -0.23 0.00 0.00 178.00 179.06 2vwt h ALA 178 N 1.40 0.21 -0.17 -0.56 0.00 -1.93 -0.11 119.26 118.11 2vwt h ALA 178 Ca 0.03 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2vwt h ALA 178 Cb 0.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2vwt h ALA 178 CO 0.06 0.09 -0.03 -0.44 0.00 0.00 0.00 179.25 178.92 2vwt h ASP 179 N -0.02 -0.14 -0.49 0.00 3.32 -1.83 -1.77 116.42 115.49 2vwt h ASP 179 Ca 0.02 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2vwt h ASP 179 Cb 0.67 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2vwt h ASP 179 CO 0.03 -0.05 0.25 0.25 -1.72 0.00 0.00 179.24 178.01 2vwt h LEU 180 N 0.01 0.63 -0.80 1.55 5.85 -1.04 -0.36 115.31 121.15 2vwt h LEU 180 Ca 0.08 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2vwt h LEU 180 Cb 0.12 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2vwt h LEU 180 CO -0.16 0.57 0.53 0.28 -0.34 0.00 0.00 178.44 179.31 2vwt h SER 181 N 0.65 0.92 -0.04 1.25 0.02 -0.95 0.15 113.55 115.55 2vwt h SER 181 Ca 0.17 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2vwt h SER 181 Cb 0.09 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2vwt h SER 181 CO -0.02 0.67 0.03 0.00 -1.14 0.00 0.00 176.83 176.36 2vwt h ALA 182 N 1.29 0.05 -0.47 3.77 0.00 -1.09 0.88 119.26 123.70 2vwt h ALA 182 Ca 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2vwt h ALA 182 Cb -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2vwt h ALA 182 CO -0.06 -0.42 0.31 1.03 0.00 0.00 0.00 179.25 180.10 2vwt h SER 183 N 0.01 0.52 -0.03 0.00 0.87 -0.55 0.65 113.55 115.02 2vwt h SER 183 Ca 0.02 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2vwt h SER 183 Cb 0.04 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2vwt h SER 183 CO -0.00 0.37 0.00 0.18 -0.53 0.00 0.00 176.83 176.85 2vwt n LEU 184 N -4.47 0.65 0.00 2.23 4.77 0.47 -4.66 117.00 115.99 2vwt n LEU 184 Ca 0.04 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2vwt n LEU 184 Cb 0.08 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2vwt n LEU 184 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2vwt n GLY 185 N 1.01 0.80 2.74 -0.72 0.00 0.22 -5.04 105.19 104.19 2vwt n GLY 185 Ca 0.19 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2vwt n GLY 185 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vwt n TYR 186 N -2.33 3.52 -1.55 1.61 4.02 0.30 -4.97 117.16 117.76 2vwt n TYR 186 Ca 0.00 -4.10 -0.45 0.00 -0.01 0.00 0.00 57.90 53.34 2vwt n TYR 186 Cb 0.00 -0.72 -0.04 0.00 -0.02 0.00 0.00 39.34 38.55 2vwt n TYR 186 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2vwt n PRO 187 N 1.49 1.59 -1.30 -0.72 -0.02 -1.26 -3.34 135.00 131.44 2vwt n PRO 187 Ca 0.25 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 2vwt n PRO 187 Cb 0.38 -3.00 -0.07 0.00 -0.02 0.00 0.00 33.50 30.78 2vwt n PRO 187 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2vwt n ASP 188 N 11.53 -6.41 0.00 2.55 9.92 -1.26 -4.91 116.55 127.97 2vwt n ASP 188 Ca 0.35 1.23 0.00 0.00 -0.53 0.00 0.00 54.79 55.84 2vwt n ASP 188 Cb 0.39 -4.37 0.00 0.00 -0.64 0.00 0.00 41.12 36.49 2vwt n ASP 188 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2vwt n ASN 189 N -3.94 0.00 0.00 -2.24 5.15 -1.26 -5.00 115.26 107.96 2vwt n ASN 189 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2vwt n ASN 189 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 2vwt n ASN 189 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vwt n ALA 190 N -1.51 0.00 -2.05 5.20 0.00 -1.26 -4.43 120.51 116.45 2vwt n ALA 190 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2vwt n ALA 190 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2vwt n ALA 190 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vwt s GLY 191 N 0.00 0.35 0.84 0.00 0.00 -1.26 -4.75 107.32 102.50 2vwt s GLY 191 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.12 2vwt s GLY 191 CO 0.00 3.35 1.11 0.30 0.00 0.00 0.00 173.10 177.86 2vwt s HIS 192 N 8.50 2.69 0.52 1.90 0.09 -1.26 -4.90 115.29 122.82 2vwt s HIS 192 Ca 0.69 1.05 0.36 0.00 -0.00 0.00 0.00 55.06 57.16 2vwt s HIS 192 Cb -0.14 -3.22 1.52 0.00 -0.00 0.00 0.00 32.58 30.74 2vwt s HIS 192 CO 0.23 -2.02 1.76 -1.00 -0.00 0.00 0.00 174.74 173.71 2vwt h PRO 193 N -1.26 0.05 0.00 8.40 0.13 -1.96 -2.83 132.00 134.54 2vwt h PRO 193 Ca -0.48 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2vwt h PRO 193 Cb 1.29 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2vwt h PRO 193 CO 0.60 0.04 -0.64 0.93 -0.23 0.00 0.00 178.00 178.69 2vwt h GLU 194 N 0.05 0.00 -0.01 0.86 3.07 -2.00 -3.35 114.58 113.20 2vwt h GLU 194 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 2vwt h GLU 194 Cb 2.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.31 2vwt h GLU 194 CO -0.07 0.64 -0.21 1.33 -1.40 0.00 0.00 179.01 179.30 2vwt n VAL 195 N -3.47 0.00 -0.35 3.13 0.24 -1.07 -4.47 118.33 112.35 2vwt n VAL 195 Ca 0.00 -0.40 0.05 0.00 -2.04 0.00 0.00 64.34 61.96 2vwt n VAL 195 Cb 0.71 1.19 0.23 0.00 -1.47 0.00 0.00 33.84 34.50 2vwt n VAL 195 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2vwt h GLN 196 N 1.79 1.01 0.21 7.34 1.08 -1.70 0.19 115.11 125.03 2vwt h GLN 196 Ca 0.00 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2vwt h GLN 196 Cb 0.48 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2vwt h GLN 196 CO 0.00 0.67 -0.10 -0.09 -0.95 0.00 0.00 178.83 178.36 2vwt h ARG 197 N 1.04 -0.27 -0.91 1.46 2.43 -1.83 0.10 114.38 116.40 2vwt h ARG 197 Ca 0.45 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.85 2vwt h ARG 197 Cb 0.34 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.83 2vwt h ARG 197 CO -0.21 0.11 0.45 0.82 -1.51 0.00 0.00 179.97 179.64 2vwt h ILE 198 N -0.75 0.54 0.02 1.20 2.04 -1.76 -0.25 117.51 118.55 2vwt h ILE 198 Ca -0.03 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2vwt h ILE 198 Cb 0.50 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2vwt h ILE 198 CO 0.05 0.09 -0.01 0.40 0.00 0.00 0.00 178.15 178.68 2vwt h ILE 199 N 0.49 1.21 0.03 -0.67 2.04 -0.52 -2.83 117.51 117.27 2vwt h ILE 199 Ca 0.56 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2vwt h ILE 199 Cb 1.01 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2vwt h ILE 199 CO -0.48 0.19 -0.05 -0.08 0.00 0.00 0.00 178.15 177.73 2vwt h GLU 200 N -0.35 -0.09 -0.56 2.37 4.81 -0.27 -1.56 114.58 118.93 2vwt h GLU 200 Ca -0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2vwt h GLU 200 Cb 0.33 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 2vwt h GLU 200 CO 0.00 -0.06 0.08 1.15 -0.73 0.00 0.00 179.01 179.45 2vwt h THR 201 N -0.10 0.63 -0.11 0.32 2.02 -1.17 -1.47 112.91 113.03 2vwt h THR 201 Ca 0.01 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.13 2vwt h THR 201 Cb 0.10 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2vwt h THR 201 CO -0.02 0.04 0.00 0.28 0.37 0.00 0.00 175.52 176.19 2vwt h SER 202 N 0.20 -0.03 -0.50 4.18 0.02 -1.21 0.16 113.55 116.37 2vwt h SER 202 Ca 0.29 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.34 2vwt h SER 202 Cb 0.44 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 2vwt h SER 202 CO -0.41 0.00 0.13 0.40 -1.14 0.00 0.00 176.83 175.81 2vwt h ILE 203 N 0.04 0.76 -0.61 3.27 2.04 -0.95 0.24 117.51 122.30 2vwt h ILE 203 Ca 0.05 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 2vwt h ILE 203 Cb 0.05 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2vwt h ILE 203 CO -0.08 0.05 0.07 0.03 0.00 0.00 0.00 178.15 178.22 2vwt h ARG 204 N 0.28 1.03 -0.64 2.37 3.08 -0.97 -2.29 114.38 117.24 2vwt h ARG 204 Ca 0.25 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2vwt h ARG 204 Cb 0.32 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2vwt h ARG 204 CO -0.30 0.98 0.34 0.00 -1.07 0.00 0.00 179.97 179.92 2vwt h ARG 205 N 0.93 0.90 0.08 0.04 3.08 -0.04 -0.59 114.38 118.79 2vwt h ARG 205 Ca 0.18 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2vwt h ARG 205 Cb 0.47 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2vwt h ARG 205 CO 0.02 0.69 -0.06 0.82 -1.07 0.00 0.00 179.97 180.36 2vwt h ILE 206 N 0.88 0.86 -0.27 2.04 2.04 -0.38 -2.40 117.51 120.28 2vwt h ILE 206 Ca 0.23 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.03 2vwt h ILE 206 Cb 0.06 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2vwt h ILE 206 CO -0.03 0.00 -0.10 0.03 0.00 0.00 0.00 178.15 178.05 2vwt h ARG 207 N -0.15 0.43 0.00 2.37 2.47 -1.34 -2.50 114.38 115.66 2vwt h ARG 207 Ca -0.00 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 2vwt h ARG 207 Cb 0.14 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2vwt h ARG 207 CO -0.01 0.54 -0.08 0.00 0.56 0.00 0.00 179.97 180.99 2vwt h ALA 208 N 1.50 1.86 -0.31 0.04 0.00 -0.80 -2.09 119.26 119.47 2vwt h ALA 208 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2vwt h ALA 208 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2vwt h ALA 208 CO 0.02 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2vwt n ALA 209 N -2.52 2.50 -1.06 0.00 0.00 -0.93 -4.90 120.51 113.61 2vwt n ALA 209 Ca -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 2vwt n ALA 209 Cb 0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 2vwt n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vwt n GLY 210 N 0.94 0.54 3.86 0.00 0.00 -0.78 -5.04 105.19 104.70 2vwt n GLY 210 Ca 0.11 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 2vwt n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwt s LYS 211 N -1.26 3.11 0.53 1.61 -0.14 -1.09 -5.04 119.74 117.47 2vwt s LYS 211 Ca 0.00 -0.80 -0.20 0.00 -1.36 0.00 0.00 55.97 53.61 2vwt s LYS 211 Cb 0.00 -2.75 -0.06 0.00 -1.68 0.00 0.00 37.83 33.34 2vwt s LYS 211 CO 0.00 0.48 1.13 0.00 -0.76 0.00 0.00 175.35 176.20 2vwt s ALA 212 N -1.81 2.72 -0.09 5.17 0.00 -0.98 -3.72 121.76 123.06 2vwt s ALA 212 Ca 0.33 0.83 0.04 0.00 0.00 0.00 0.00 51.96 53.15 2vwt s ALA 212 Cb -0.10 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 2vwt s ALA 212 CO 0.26 -0.75 -0.22 0.00 0.00 0.00 0.00 175.76 175.05 2vwt s ALA 213 N -1.76 2.28 0.28 0.00 0.00 -1.26 -1.03 121.76 120.27 2vwt s ALA 213 Ca 0.72 -0.98 0.12 0.00 0.00 0.00 0.00 51.96 51.82 2vwt s ALA 213 Cb -0.24 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 2vwt s ALA 213 CO 0.27 0.33 -0.19 0.20 0.00 0.00 0.00 175.76 176.37 2vwt s GLY 214 N 0.13 1.90 -0.11 0.00 0.00 0.30 -0.87 107.32 108.67 2vwt s GLY 214 Ca -0.11 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.43 2vwt s GLY 214 CO 0.06 -1.97 0.75 -0.12 0.00 0.00 0.00 173.10 171.82 2vwt s PHE 215 N -2.51 -0.63 -0.19 1.90 5.36 -0.99 -0.79 117.98 120.12 2vwt s PHE 215 Ca 0.30 1.20 -0.03 0.00 -0.96 0.00 0.00 56.93 57.45 2vwt s PHE 215 Cb -0.05 0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 43.01 2vwt s PHE 215 CO 0.15 -0.51 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.15 2vwt s LEU 216 N -0.84 2.81 -0.26 6.12 2.96 -1.25 -1.16 118.68 127.06 2vwt s LEU 216 Ca -0.07 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 2vwt s LEU 216 Cb -0.01 -1.69 0.08 0.00 0.50 0.00 0.00 46.19 45.07 2vwt s LEU 216 CO 0.07 0.04 0.07 0.00 -1.32 0.00 0.00 176.35 175.20 2vwt s ALA 217 N 1.14 1.34 -0.79 5.97 0.00 -0.20 -4.63 121.76 124.59 2vwt s ALA 217 Ca 0.01 -1.29 0.26 0.00 0.00 0.00 0.00 51.96 50.95 2vwt s ALA 217 Cb -0.14 -1.45 0.93 0.00 0.00 0.00 0.00 23.12 22.46 2vwt s ALA 217 CO -0.02 -1.47 1.80 1.33 0.00 0.00 0.00 175.76 177.40 2vwt n VAL 218 N 4.93 0.48 -3.38 0.00 0.24 -1.26 -4.16 118.33 115.18 2vwt n VAL 218 Ca -0.05 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.71 2vwt n VAL 218 Cb 0.44 -0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 32.08 2vwt n VAL 218 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vwt s ALA 219 N -3.09 3.54 0.32 2.33 0.00 -1.26 -4.85 121.76 118.75 2vwt s ALA 219 Ca 0.11 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2vwt s ALA 219 Cb 0.14 -2.77 0.76 0.00 0.00 0.00 0.00 23.12 21.25 2vwt s ALA 219 CO 0.54 -0.81 1.81 -1.35 0.00 0.00 0.00 175.76 175.96 2vwt h PRO 220 N 8.27 0.74 -0.24 0.00 0.11 -1.87 -0.65 132.00 138.36 2vwt h PRO 220 Ca -0.31 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.81 2vwt h PRO 220 Cb 1.15 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 2vwt h PRO 220 CO 0.67 0.49 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.42 2vwt h ASP 221 N 0.76 -0.29 -0.77 -2.05 3.32 -1.96 -0.40 116.42 115.03 2vwt h ASP 221 Ca 0.53 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.62 2vwt h ASP 221 Cb 0.83 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 2vwt h ASP 221 CO -0.30 -0.11 0.34 -0.03 -1.72 0.00 0.00 179.24 177.41 2vwt h MET 222 N -0.04 1.15 -0.42 3.56 4.05 -1.75 -2.50 114.93 118.99 2vwt h MET 222 Ca 0.12 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 2vwt h MET 222 Cb 0.22 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 2vwt h MET 222 CO -0.27 0.91 0.21 0.00 0.23 0.00 0.00 176.91 177.99 2vwt h ALA 223 N 1.24 0.53 -0.78 0.39 0.00 -0.72 -0.65 119.26 119.27 2vwt h ALA 223 Ca 0.26 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2vwt h ALA 223 Cb 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2vwt h ALA 223 CO -0.03 0.09 0.45 1.96 0.00 0.00 0.00 179.25 181.72 2vwt h GLN 224 N 0.53 0.77 0.07 0.00 1.08 -1.00 -2.24 115.11 114.32 2vwt h GLN 224 Ca 0.14 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2vwt h GLN 224 Cb 0.10 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2vwt h GLN 224 CO -0.02 0.51 -0.03 1.96 -0.95 0.00 0.00 178.83 180.29 2vwt h GLN 225 N 0.79 -0.09 -0.28 1.46 4.20 -1.04 0.22 115.11 120.37 2vwt h GLN 225 Ca 0.36 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.05 2vwt h GLN 225 Cb 0.26 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2vwt h GLN 225 CO -0.21 0.06 0.05 0.00 -0.67 0.00 0.00 178.83 178.06 2vwt h LEU 227 N 0.40 0.13 -1.18 0.00 3.38 -1.22 -1.38 115.31 115.44 2vwt h LEU 227 Ca 0.10 -0.31 0.26 0.00 0.09 0.00 0.00 57.88 58.02 2vwt h LEU 227 Cb 0.18 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 2vwt h LEU 227 CO -0.00 0.41 0.64 0.00 0.09 0.00 0.00 178.44 179.57 2vwt h ALA 228 N 0.73 2.02 0.00 1.53 0.00 -0.34 -1.09 119.26 122.11 2vwt h ALA 228 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vwt h ALA 228 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2vwt h ALA 228 CO 0.00 -0.47 0.00 -1.49 0.00 0.00 0.00 179.25 177.29 2vwt h TRP 229 N 0.48 0.00 0.00 0.00 6.55 -0.90 -3.47 115.95 118.61 2vwt h TRP 229 Ca 0.63 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.47 2vwt h TRP 229 Cb 1.40 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.70 2vwt h TRP 229 CO -0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 2vwt n GLY 230 N 0.77 1.01 3.71 1.49 0.00 -0.41 -4.40 105.19 107.37 2vwt n GLY 230 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2vwt n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vwt s ALA 231 N -1.71 3.89 0.00 4.61 0.00 -0.55 -4.68 121.76 123.33 2vwt s ALA 231 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2vwt s ALA 231 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2vwt s ALA 231 CO 0.00 -0.95 0.27 0.27 0.00 0.00 0.00 175.76 175.35 2vwt n ASN 232 N 4.26 0.54 -3.87 0.00 6.94 -0.05 -4.49 115.26 118.59 2vwt n ASN 232 Ca 0.16 -0.78 -0.30 0.00 -0.02 0.00 0.00 54.58 53.64 2vwt n ASN 232 Cb 0.36 0.37 -0.14 0.00 -2.36 0.00 0.00 39.78 38.01 2vwt n ASN 232 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 2vwt s PHE 233 N -0.37 2.74 -0.23 -2.53 -0.71 -0.81 -0.27 117.98 115.81 2vwt s PHE 233 Ca 0.00 -2.65 0.00 0.00 -1.04 0.00 0.00 56.93 53.24 2vwt s PHE 233 Cb 0.00 -2.39 0.03 0.00 -1.21 0.00 0.00 43.02 39.45 2vwt s PHE 233 CO 0.00 -0.84 -0.12 0.08 -1.34 0.00 0.00 175.22 173.01 2vwt s VAL 234 N 0.59 2.45 -0.03 -2.49 1.01 -0.54 -2.35 120.40 119.04 2vwt s VAL 234 Ca 0.14 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 2vwt s VAL 234 Cb -0.22 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2vwt s VAL 234 CO -0.07 0.25 0.75 0.00 0.00 0.00 0.00 175.10 176.03 2vwt s ALA 235 N 1.26 3.32 -0.51 5.51 0.00 -0.31 -0.41 121.76 130.62 2vwt s ALA 235 Ca -0.01 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.22 2vwt s ALA 235 Cb -0.16 -3.01 0.11 0.00 0.00 0.00 0.00 23.12 20.06 2vwt s ALA 235 CO -0.07 -0.08 0.96 1.33 0.00 0.00 0.00 175.76 177.90 2vwt n VAL 236 N 3.57 0.64 -3.61 0.00 0.24 -0.27 -1.03 118.33 117.87 2vwt n VAL 236 Ca -0.01 -0.82 -0.03 0.00 -2.04 0.00 0.00 64.34 61.44 2vwt n VAL 236 Cb 0.51 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 33.58 2vwt n VAL 236 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2vwt s GLY 237 N -0.80 -0.35 -0.15 7.63 0.00 -1.26 -4.57 107.32 107.82 2vwt s GLY 237 Ca 0.09 0.94 0.02 0.00 0.00 0.00 0.00 44.72 45.77 2vwt s GLY 237 CO 0.07 0.27 -0.21 0.14 0.00 0.00 0.00 173.10 173.38 2vwt s VAL 238 N -2.73 2.18 0.28 1.40 1.01 -1.26 -1.51 120.40 119.77 2vwt s VAL 238 Ca 0.10 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2vwt s VAL 238 Cb 0.01 -1.88 0.27 0.00 0.00 0.00 0.00 36.38 34.77 2vwt s VAL 238 CO -0.04 0.54 1.92 -2.24 0.00 0.00 0.00 175.10 175.28 2vwt h ASP 239 N 7.37 1.01 -0.04 3.32 2.03 -1.52 -0.46 116.42 128.14 2vwt h ASP 239 Ca -0.34 -0.01 -0.08 0.00 -0.73 0.00 0.00 57.03 55.88 2vwt h ASP 239 Cb 1.19 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.44 2vwt h ASP 239 CO 0.56 0.69 -0.21 0.71 -1.03 0.00 0.00 179.24 179.96 2vwt h THR 240 N 1.17 1.25 -0.27 1.15 1.35 -1.93 -0.25 112.91 115.37 2vwt h THR 240 Ca 0.38 -1.14 -0.05 0.00 -0.55 0.00 0.00 66.41 65.05 2vwt h THR 240 Cb 0.04 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2vwt h THR 240 CO -0.12 0.36 -0.01 0.24 -0.25 0.00 0.00 175.52 175.74 2vwt h MET 241 N 0.38 0.48 -0.57 4.72 2.86 -1.64 -1.27 114.93 119.89 2vwt h MET 241 Ca 0.06 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2vwt h MET 241 Cb 0.58 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 2vwt h MET 241 CO 0.04 0.65 0.26 -0.07 1.06 0.00 0.00 176.91 178.85 2vwt h LEU 242 N 0.26 0.77 0.46 1.22 3.38 -0.87 -0.96 115.31 119.57 2vwt h LEU 242 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2vwt h LEU 242 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2vwt h LEU 242 CO 0.02 0.70 -0.51 0.22 0.09 0.00 0.00 178.44 178.95 2vwt h TYR 243 N 0.78 -1.42 -0.48 1.13 3.20 -1.05 -1.47 116.97 117.67 2vwt h TYR 243 Ca 0.20 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.14 2vwt h TYR 243 Cb 0.15 0.56 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 2vwt h TYR 243 CO 0.00 -0.67 0.17 0.77 -1.64 0.00 0.00 178.16 176.79 2vwt h SER 244 N -0.99 0.17 -0.81 -2.11 0.02 -1.09 -0.49 113.55 108.26 2vwt h SER 244 Ca -0.06 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2vwt h SER 244 Cb 0.87 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 2vwt h SER 244 CO -0.09 0.12 0.50 0.44 -1.14 0.00 0.00 176.83 176.67 2vwt h ASP 245 N 0.34 0.81 -0.33 3.07 3.32 -1.15 -0.91 116.42 121.57 2vwt h ASP 245 Ca 0.23 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 2vwt h ASP 245 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2vwt h ASP 245 CO -0.23 0.54 -0.41 0.00 -1.72 0.00 0.00 179.24 177.41 2vwt h ALA 246 N 1.36 0.59 -0.32 3.45 0.00 -0.31 0.03 119.26 124.06 2vwt h ALA 246 Ca 0.34 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2vwt h ALA 246 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2vwt h ALA 246 CO -0.14 0.68 0.20 -0.07 0.00 0.00 0.00 179.25 179.91 2vwt h LEU 247 N 0.72 0.38 -0.61 0.00 4.07 -0.84 -1.19 115.31 117.85 2vwt h LEU 247 Ca 0.05 -0.04 0.02 0.00 0.08 0.00 0.00 57.88 57.99 2vwt h LEU 247 Cb 1.00 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 2vwt h LEU 247 CO 0.10 0.32 0.39 0.44 -1.08 0.00 0.00 178.44 178.60 2vwt h ASP 248 N 0.42 0.65 -0.42 -0.43 3.32 -0.92 -1.92 116.42 117.12 2vwt h ASP 248 Ca 0.12 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 2vwt h ASP 248 Cb -0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2vwt h ASP 248 CO -0.02 0.46 -0.03 1.56 -1.72 0.00 0.00 179.24 179.49 2vwt h GLN 249 N 0.77 0.75 -0.39 3.56 4.20 -0.73 -0.50 115.11 122.78 2vwt h GLN 249 Ca 0.23 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2vwt h GLN 249 Cb -0.03 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2vwt h GLN 249 CO -0.08 0.84 0.09 -0.09 -0.67 0.00 0.00 178.83 178.92 2vwt h ARG 250 N 0.58 0.62 -0.77 1.46 9.65 -1.16 -3.07 114.38 121.69 2vwt h ARG 250 Ca 0.11 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2vwt h ARG 250 Cb 0.52 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 2vwt h ARG 250 CO 0.03 0.66 0.39 1.25 2.80 0.00 0.00 179.97 185.09 2vwt h LEU 251 N 0.48 0.98 -2.40 3.80 5.85 -1.19 -2.61 115.31 120.23 2vwt h LEU 251 Ca 0.12 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2vwt h LEU 251 Cb 0.32 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2vwt h LEU 251 CO 0.00 0.82 0.15 0.00 -0.34 0.00 0.00 178.44 179.07 2vwt h ALA 252 N 1.20 1.52 0.00 1.25 0.00 -0.99 0.71 119.26 122.95 2vwt h ALA 252 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2vwt h ALA 252 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2vwt h ALA 252 CO -0.04 -0.19 0.00 -1.33 0.00 0.00 0.00 179.25 177.69 2vwt n MET 253 N -3.52 0.15 0.00 0.00 2.81 -0.98 -2.63 117.12 112.94 2vwt n MET 253 Ca -0.01 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 2vwt n MET 253 Cb 0.24 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 2vwt n MET 253 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2vwt n PHE 254 N -2.11 0.00 -1.14 2.03 3.72 0.21 -4.29 117.46 115.88 2vwt n PHE 254 Ca 0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.45 2vwt n PHE 254 Cb 0.17 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.95 2vwt n PHE 254 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2vwt n LYS 255 N -0.36 2.56 0.00 -1.08 4.76 -1.04 -5.15 118.16 117.84 2vwt n LYS 255 Ca 0.00 -2.95 0.05 0.00 -2.87 0.00 0.00 58.31 52.54 2vwt n LYS 255 Cb 0.02 -1.85 0.04 0.00 -1.84 0.00 0.00 35.03 31.40 2vwt n LYS 255 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48