#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dw3 s ALA 2 N 0.00 0.99 -0.35 0.00 0.00 -1.26 -1.78 121.76 119.35 3dw3 s ALA 2 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 3dw3 s ALA 2 Cb 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.64 3dw3 s ALA 2 CO 0.00 -0.01 0.12 -1.14 0.00 0.00 0.00 175.76 174.73 3dw3 s GLN 3 N 0.91 2.47 0.56 0.00 0.74 0.35 -4.97 119.66 119.73 3dw3 s GLN 3 Ca -0.11 -1.35 -0.16 0.00 0.05 0.00 0.00 55.36 53.80 3dw3 s GLN 3 Cb -0.15 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 3dw3 s GLN 3 CO 0.01 -0.76 1.03 0.95 -0.55 0.00 0.00 175.29 175.97 3dw3 s THR 4 N 1.33 4.08 -1.54 -0.34 -4.23 -1.26 -1.37 115.64 112.31 3dw3 s THR 4 Ca -0.00 1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.39 3dw3 s THR 4 Cb -0.21 -3.51 0.08 0.00 1.34 0.00 0.00 72.50 70.21 3dw3 s THR 4 CO 0.01 -0.57 0.77 0.59 -0.54 0.00 0.00 174.62 174.87 3dw3 n ASN 5 N -1.85 -2.96 -4.81 3.99 3.02 -0.90 -4.94 115.26 106.82 3dw3 n ASN 5 Ca 0.08 -0.91 -0.32 0.00 -0.03 0.00 0.00 54.58 53.40 3dw3 n ASN 5 Cb 0.53 -3.33 0.04 0.00 -0.61 0.00 0.00 39.78 36.41 3dw3 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dw3 s ALA 6 N -3.48 2.66 0.46 5.41 0.00 0.20 -5.00 121.76 122.02 3dw3 s ALA 6 Ca 0.48 0.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.47 3dw3 s ALA 6 Cb -0.25 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3dw3 s ALA 6 CO 0.88 -1.11 1.02 -2.30 0.00 0.00 0.00 175.76 174.25 3dw3 n PRO 7 N -2.68 1.30 -0.22 0.00 -0.02 -1.26 -4.77 135.00 127.36 3dw3 n PRO 7 Ca 0.08 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 62.17 3dw3 n PRO 7 Cb 0.53 -2.10 0.45 0.00 -0.02 0.00 0.00 33.50 32.36 3dw3 n PRO 7 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3dw3 h TRP 8 N 1.35 0.64 -0.61 6.00 5.08 -1.90 -1.77 115.95 124.74 3dw3 h TRP 8 Ca -0.46 0.02 -0.08 0.00 1.08 0.00 0.00 58.89 59.45 3dw3 h TRP 8 Cb 1.34 -0.20 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 3dw3 h TRP 8 CO 0.42 0.24 0.07 0.78 -1.28 0.00 0.00 178.44 178.67 3dw3 h GLY 9 N 0.54 1.10 0.84 11.11 0.00 -1.91 0.15 103.07 114.89 3dw3 h GLY 9 Ca 0.41 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3dw3 h GLY 9 CO -0.16 0.68 0.03 1.41 0.00 0.00 0.00 176.54 178.50 3dw3 h LEU 10 N 0.95 0.29 -1.01 3.11 3.38 -1.68 -1.85 115.31 118.49 3dw3 h LEU 10 Ca 0.18 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3dw3 h LEU 10 Cb 0.46 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 3dw3 h LEU 10 CO 0.02 0.47 0.65 0.00 0.09 0.00 0.00 178.44 179.67 3dw3 h ALA 11 N 0.83 1.41 -0.60 1.53 0.00 -1.17 -2.64 119.26 118.62 3dw3 h ALA 11 Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dw3 h ALA 11 Cb 0.30 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dw3 h ALA 11 CO 0.00 0.44 0.20 -0.09 0.00 0.00 0.00 179.25 179.80 3dw3 h ARG 12 N 1.18 0.92 0.00 0.00 9.65 -0.42 -2.79 114.38 122.92 3dw3 h ARG 12 Ca 0.44 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 3dw3 h ARG 12 Cb 0.18 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3dw3 h ARG 12 CO -0.18 0.81 0.00 0.82 2.80 0.00 0.00 179.97 184.23 3dw3 h ILE 13 N 0.84 0.00 -0.27 1.20 2.04 -0.97 -2.32 117.51 118.03 3dw3 h ILE 13 Ca 0.19 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3dw3 h ILE 13 Cb 0.27 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3dw3 h ILE 13 CO -0.01 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.60 3dw3 n SER 14 N -3.00 3.74 -4.16 1.72 3.41 -1.06 -0.19 113.62 114.08 3dw3 n SER 14 Ca -0.01 -3.09 -0.21 0.00 -0.26 0.00 0.00 58.87 55.30 3dw3 n SER 14 Cb 0.19 -0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 3dw3 n SER 14 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dw3 s SER 15 N -2.00 1.81 0.00 4.04 0.15 -0.88 -4.76 113.70 112.06 3dw3 s SER 15 Ca 0.42 -0.43 0.30 0.00 0.70 0.00 0.00 55.95 56.94 3dw3 s SER 15 Cb 0.35 -0.14 1.41 0.00 -1.71 0.00 0.00 66.02 65.93 3dw3 s SER 15 CO 0.08 0.09 2.00 0.35 1.20 0.00 0.00 173.24 176.95 3dw3 n THR 16 N 2.06 0.00 -4.00 6.45 -2.24 -1.26 -4.87 114.28 110.42 3dw3 n THR 16 Ca -0.17 -0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 3dw3 n THR 16 Cb 0.55 -0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 68.20 3dw3 n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3dw3 s SER 17 N -2.70 0.33 0.90 3.42 1.04 -1.26 -5.11 113.70 110.32 3dw3 s SER 17 Ca 0.24 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 3dw3 s SER 17 Cb 0.20 0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.55 3dw3 s SER 17 CO 0.49 -0.31 1.10 -2.16 0.98 0.00 0.00 173.24 173.34 3dw3 s PRO 18 N -1.66 1.20 0.00 4.02 0.04 -1.26 -4.46 135.00 132.88 3dw3 s PRO 18 Ca -0.13 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.47 3dw3 s PRO 18 Cb -0.09 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3dw3 s PRO 18 CO -0.02 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.22 3dw3 n GLY 19 N -1.62 0.70 3.71 0.56 0.00 -1.26 -5.07 105.19 102.21 3dw3 n GLY 19 Ca 0.06 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3dw3 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dw3 s THR 20 N -2.00 2.50 0.00 2.61 -4.23 -1.26 -5.07 115.64 108.18 3dw3 s THR 20 Ca 0.00 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3dw3 s THR 20 Cb 0.00 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3dw3 s THR 20 CO 0.00 -0.07 0.55 -1.54 -0.54 0.00 0.00 174.62 173.02 3dw3 n SER 21 N -1.16 0.64 -4.44 3.99 3.41 -1.26 -4.72 113.62 110.08 3dw3 n SER 21 Ca -0.02 -1.27 -0.33 0.00 -0.26 0.00 0.00 58.87 56.99 3dw3 n SER 21 Cb 0.64 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.45 3dw3 n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3dw3 s THR 22 N -0.27 3.40 -0.22 6.66 2.01 -1.26 -0.62 115.64 125.34 3dw3 s THR 22 Ca 0.00 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.30 3dw3 s THR 22 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3dw3 s THR 22 CO 0.00 0.52 0.38 -0.47 -0.69 0.00 0.00 174.62 174.37 3dw3 s TYR 23 N 0.18 3.35 -0.14 4.92 5.04 -0.47 -4.49 117.35 125.74 3dw3 s TYR 23 Ca -0.05 0.56 -0.02 0.00 -2.44 0.00 0.00 57.07 55.12 3dw3 s TYR 23 Cb -0.15 -2.52 -0.02 0.00 0.35 0.00 0.00 41.96 39.62 3dw3 s TYR 23 CO 0.04 -0.05 -0.07 0.71 -1.34 0.00 0.00 175.55 174.85 3dw3 s TYR 24 N 1.45 2.95 -0.01 4.97 1.51 -1.26 -0.49 117.35 126.47 3dw3 s TYR 24 Ca 0.18 -0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 55.63 3dw3 s TYR 24 Cb -0.15 -1.89 0.06 0.00 -0.11 0.00 0.00 41.96 39.87 3dw3 s TYR 24 CO 0.08 -0.03 0.58 1.52 -1.11 0.00 0.00 175.55 176.59 3dw3 s TYR 25 N 0.20 -0.52 0.26 2.71 1.13 -0.73 -4.74 117.35 115.65 3dw3 s TYR 25 Ca -0.04 0.79 -0.30 0.00 -1.41 0.00 0.00 57.07 56.12 3dw3 s TYR 25 Cb -0.14 0.36 -0.10 0.00 -1.10 0.00 0.00 41.96 40.97 3dw3 s TYR 25 CO 0.04 -0.60 1.44 0.34 -2.51 0.00 0.00 175.55 174.25 3dw3 s ASP 26 N -1.49 6.63 0.62 -0.18 2.15 -1.26 -0.45 116.67 122.68 3dw3 s ASP 26 Ca -0.09 2.70 0.32 0.00 0.43 0.00 0.00 52.55 55.91 3dw3 s ASP 26 Cb -0.01 -2.63 1.81 0.00 -0.30 0.00 0.00 42.92 41.79 3dw3 s ASP 26 CO 0.05 -0.71 2.13 -0.33 -0.17 0.00 0.00 175.17 176.15 3dw3 h GLU 27 N 4.79 0.00 -0.89 4.34 4.39 -2.01 -1.74 114.58 123.46 3dw3 h GLU 27 Ca -0.46 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.37 3dw3 h GLU 27 Cb 1.22 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3dw3 h GLU 27 CO 0.76 0.00 0.57 0.66 -1.16 0.00 0.00 179.01 179.84 3dw3 h SER 28 N 0.00 0.69 -4.98 1.42 4.64 -1.99 -3.46 113.55 109.87 3dw3 h SER 28 Ca 0.05 0.04 -0.38 0.00 -0.47 0.00 0.00 61.79 61.02 3dw3 h SER 28 Cb 0.40 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3dw3 h SER 28 CO -0.00 0.36 -0.57 0.00 -0.87 0.00 0.00 176.83 175.75 3dw3 n ALA 29 N -2.42 -1.02 -1.02 5.18 0.00 -0.66 -0.91 120.51 119.67 3dw3 n ALA 29 Ca 0.17 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.78 3dw3 n ALA 29 Cb 0.43 -3.22 -0.00 0.00 0.00 0.00 0.00 19.45 16.65 3dw3 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dw3 n GLY 30 N -1.31 0.46 3.73 0.00 0.00 -1.26 -0.11 105.19 106.69 3dw3 n GLY 30 Ca -0.06 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3dw3 n GLY 30 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dw3 n GLN 31 N -2.49 2.63 -0.42 1.61 7.27 -0.09 -1.89 117.38 124.01 3dw3 n GLN 31 Ca -0.01 0.94 0.00 0.00 0.07 0.00 0.00 57.00 58.00 3dw3 n GLN 31 Cb 0.08 -2.72 0.00 0.00 2.41 0.00 0.00 30.24 30.01 3dw3 n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dw3 n GLY 32 N 2.52 1.13 4.00 1.69 0.00 -1.26 -4.81 105.19 108.46 3dw3 n GLY 32 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3dw3 n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dw3 s SER 33 N -3.07 5.72 0.00 1.61 1.04 -0.79 -0.92 113.70 117.29 3dw3 s SER 33 Ca 0.00 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.09 3dw3 s SER 33 Cb 0.00 -0.80 -0.01 0.00 0.10 0.00 0.00 66.02 65.32 3dw3 s SER 33 CO 0.00 -0.70 -0.05 0.00 0.98 0.00 0.00 173.24 173.47 3dw3 s VAL 35 N -0.26 1.21 -0.01 0.00 1.01 0.25 -1.01 120.40 121.59 3dw3 s VAL 35 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 3dw3 s VAL 35 Cb -0.03 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 3dw3 s VAL 35 CO -0.00 0.39 0.72 -0.31 0.00 0.00 0.00 175.10 175.91 3dw3 s TYR 36 N 1.47 3.66 -0.32 5.22 1.51 0.45 -1.29 117.35 128.05 3dw3 s TYR 36 Ca 0.02 1.35 -0.04 0.00 -1.01 0.00 0.00 57.07 57.39 3dw3 s TYR 36 Cb -0.13 -2.80 0.05 0.00 -0.11 0.00 0.00 41.96 38.97 3dw3 s TYR 36 CO -0.07 0.20 0.06 0.08 -1.11 0.00 0.00 175.55 174.71 3dw3 s VAL 37 N 0.31 3.31 -0.48 0.71 1.01 0.13 -0.36 120.40 125.03 3dw3 s VAL 37 Ca 0.38 -1.35 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 3dw3 s VAL 37 Cb -0.19 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.35 3dw3 s VAL 37 CO 0.20 -0.19 0.40 -0.63 0.00 0.00 0.00 175.10 174.88 3dw3 s ILE 38 N 1.30 5.11 0.00 2.22 1.01 -0.78 -1.67 121.20 128.39 3dw3 s ILE 38 Ca -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.45 3dw3 s ILE 38 Cb -0.20 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3dw3 s ILE 38 CO 0.00 -0.62 0.00 -0.67 0.00 0.00 0.00 174.94 173.65 3dw3 n ASP 39 N 5.18 0.69 -0.19 3.58 -0.08 -0.35 -4.23 116.55 121.14 3dw3 n ASP 39 Ca -0.12 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.25 3dw3 n ASP 39 Cb 0.43 0.00 0.47 0.00 2.34 0.00 0.00 41.12 44.36 3dw3 n ASP 39 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3dw3 n THR 40 N 0.00 0.07 0.00 5.18 -2.24 -1.26 -1.44 114.28 114.60 3dw3 n THR 40 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3dw3 n THR 40 Cb 0.00 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3dw3 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dw3 n GLY 41 N 0.89 -1.23 2.77 3.38 0.00 -1.26 -4.02 105.19 105.72 3dw3 n GLY 41 Ca 0.14 -2.23 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 3dw3 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dw3 s ILE 42 N -0.71 -0.04 -1.02 -0.61 1.01 -1.26 -2.82 121.20 115.74 3dw3 s ILE 42 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.63 3dw3 s ILE 42 Cb 0.00 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.39 3dw3 s ILE 42 CO 0.00 0.09 1.69 -0.70 0.00 0.00 0.00 174.94 176.02 3dw3 s GLU 43 N 1.08 3.20 0.54 2.79 2.12 -1.26 -4.60 118.70 122.57 3dw3 s GLU 43 Ca -0.09 -0.94 0.29 0.00 0.36 0.00 0.00 54.97 54.59 3dw3 s GLU 43 Cb -0.13 -5.27 1.56 0.00 0.26 0.00 0.00 34.13 30.55 3dw3 s GLU 43 CO -0.03 -2.74 2.11 0.00 -0.54 0.00 0.00 175.26 174.06 3dw3 h ALA 44 N 10.05 1.29 0.00 6.30 0.00 -1.96 -1.98 119.26 132.95 3dw3 h ALA 44 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dw3 h ALA 44 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3dw3 h ALA 44 CO 1.34 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 179.57 3dw3 n SER 45 N -3.61 0.00 -4.69 0.00 3.41 -1.26 -4.62 113.62 102.85 3dw3 n SER 45 Ca -0.02 0.38 -0.43 0.00 -0.26 0.00 0.00 58.87 58.54 3dw3 n SER 45 Cb 0.21 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 3dw3 n SER 45 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3dw3 n HIS 46 N -1.45 2.58 -0.20 7.33 -0.00 -0.75 -4.84 115.22 117.88 3dw3 n HIS 46 Ca 0.06 -0.07 0.29 0.00 0.46 0.00 0.00 57.72 58.46 3dw3 n HIS 46 Cb 0.22 -2.70 0.72 0.00 -0.12 0.00 0.00 29.99 28.11 3dw3 n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3dw3 h PRO 47 N 8.14 0.02 0.00 1.57 0.11 -1.91 -0.68 132.00 139.26 3dw3 h PRO 47 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dw3 h PRO 47 Cb 1.23 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dw3 h PRO 47 CO 0.94 0.01 -0.01 0.93 -0.21 0.00 0.00 178.00 179.67 3dw3 h GLU 48 N 0.02 0.00 0.00 1.05 4.39 -1.95 -2.27 114.58 115.82 3dw3 h GLU 48 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3dw3 h GLU 48 Cb 1.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 3dw3 h GLU 48 CO -0.02 0.01 -0.84 1.19 -1.16 0.00 0.00 179.01 178.19 3dw3 n PHE 49 N -3.28 0.57 -2.55 4.33 3.72 -0.26 -1.14 117.46 118.84 3dw3 n PHE 49 Ca -0.03 0.16 -0.19 0.00 -0.05 0.00 0.00 57.45 57.35 3dw3 n PHE 49 Cb 0.09 -0.66 -0.00 0.00 -0.94 0.00 0.00 39.48 37.97 3dw3 n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3dw3 n GLU 50 N -2.20 -2.40 -1.00 -1.08 1.02 -0.86 -0.78 120.64 113.34 3dw3 n GLU 50 Ca 0.02 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 3dw3 n GLU 50 Cb 0.47 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 3dw3 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dw3 n GLY 51 N -1.04 0.92 0.21 0.62 0.00 -1.26 -4.90 105.19 99.74 3dw3 n GLY 51 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3dw3 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dw3 n ARG 52 N -2.15 0.92 -4.22 1.61 1.74 0.04 -4.85 116.66 109.74 3dw3 n ARG 52 Ca 0.00 -0.42 -0.32 0.00 -0.77 0.00 0.00 57.85 56.34 3dw3 n ARG 52 Cb 0.00 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 3dw3 n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dw3 s ALA 53 N -2.37 3.32 -0.12 7.54 0.00 -1.26 -0.61 121.76 128.26 3dw3 s ALA 53 Ca 0.30 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 3dw3 s ALA 53 Cb 0.20 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 22.03 3dw3 s ALA 53 CO 0.46 0.67 0.42 -0.65 0.00 0.00 0.00 175.76 176.66 3dw3 s GLN 54 N -1.80 0.59 0.03 0.00 -0.21 -0.48 -4.81 119.66 112.97 3dw3 s GLN 54 Ca 0.22 0.38 -0.29 0.00 0.02 0.00 0.00 55.36 55.69 3dw3 s GLN 54 Cb -0.12 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.13 3dw3 s GLN 54 CO 0.13 -0.11 0.95 -1.64 -2.12 0.00 0.00 175.29 172.50 3dw3 s MET 55 N -0.25 4.59 -0.00 2.91 -1.94 -1.26 -0.47 119.30 122.87 3dw3 s MET 55 Ca -0.04 1.38 0.05 0.00 -1.71 0.00 0.00 55.69 55.37 3dw3 s MET 55 Cb -0.03 -3.43 -0.07 0.00 2.01 0.00 0.00 34.83 33.31 3dw3 s MET 55 CO 0.02 0.04 0.15 1.33 -0.01 0.00 0.00 175.02 176.56 3dw3 n VAL 56 N 3.54 0.00 -3.63 -6.03 0.24 -0.20 -4.86 118.33 107.39 3dw3 n VAL 56 Ca 0.04 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 3dw3 n VAL 56 Cb 0.50 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 3dw3 n VAL 56 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3dw3 s LYS 57 N -1.94 0.75 0.05 7.34 2.47 -1.13 -5.04 119.74 122.24 3dw3 s LYS 57 Ca -0.00 0.89 0.00 0.00 -1.56 0.00 0.00 55.97 55.30 3dw3 s LYS 57 Cb 0.03 0.36 -0.03 0.00 -1.46 0.00 0.00 37.83 36.74 3dw3 s LYS 57 CO 0.20 -0.09 -0.05 -0.08 0.16 0.00 0.00 175.35 175.50 3dw3 s THR 58 N 0.33 0.36 -0.71 3.43 -1.32 -1.26 -0.62 115.64 115.85 3dw3 s THR 58 Ca 0.01 -1.49 0.09 0.00 -1.21 0.00 0.00 61.69 59.09 3dw3 s THR 58 Cb -0.05 -1.08 0.26 0.00 -1.51 0.00 0.00 72.50 70.12 3dw3 s THR 58 CO -0.01 -0.74 1.22 -1.22 -2.21 0.00 0.00 174.62 171.66 3dw3 n TYR 59 N 0.69 0.40 -4.62 9.09 4.01 -1.08 -4.96 117.16 120.68 3dw3 n TYR 59 Ca -0.18 -0.52 -0.28 0.00 -0.16 0.00 0.00 57.90 56.76 3dw3 n TYR 59 Cb 0.58 -0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 39.50 3dw3 n TYR 59 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3dw3 n TYR 60 N 0.26 0.70 0.43 -0.72 4.01 -1.26 -5.03 117.16 115.55 3dw3 n TYR 60 Ca 0.10 -2.46 0.12 0.00 -0.16 0.00 0.00 57.90 55.50 3dw3 n TYR 60 Cb 0.42 -0.19 0.48 0.00 -0.31 0.00 0.00 39.34 39.75 3dw3 n TYR 60 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3dw3 n TYR 61 N -1.08 0.88 -4.03 -0.72 4.02 -1.26 -4.67 117.16 110.30 3dw3 n TYR 61 Ca -0.14 0.33 -0.08 0.00 -0.01 0.00 0.00 57.90 58.00 3dw3 n TYR 61 Cb 0.61 -1.03 -0.10 0.00 -0.02 0.00 0.00 39.34 38.80 3dw3 n TYR 61 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dw3 s SER 62 N -4.36 0.38 0.00 7.72 0.15 -1.26 -5.02 113.70 111.30 3dw3 s SER 62 Ca 0.05 -0.82 0.25 0.00 0.70 0.00 0.00 55.95 56.13 3dw3 s SER 62 Cb 0.10 0.20 0.56 0.00 -1.71 0.00 0.00 66.02 65.16 3dw3 s SER 62 CO 0.44 -0.55 1.45 -1.54 1.20 0.00 0.00 173.24 174.23 3dw3 n SER 63 N 0.43 1.58 -4.76 5.45 3.41 -1.26 -4.80 113.62 113.67 3dw3 n SER 63 Ca -0.16 -1.28 -0.41 0.00 -0.26 0.00 0.00 58.87 56.75 3dw3 n SER 63 Cb 0.60 0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.71 3dw3 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dw3 s ARG 64 N -2.35 4.31 -0.78 4.33 3.03 -1.26 -4.55 118.95 121.68 3dw3 s ARG 64 Ca 0.26 2.27 -0.26 0.00 2.03 0.00 0.00 55.73 60.03 3dw3 s ARG 64 Cb 0.19 -3.07 0.03 0.00 -1.03 0.00 0.00 34.95 31.07 3dw3 s ARG 64 CO 0.48 -0.29 1.33 0.34 -1.13 0.00 0.00 175.30 176.03 3dw3 s ASP 65 N -0.19 6.17 -0.01 -2.89 2.15 -1.26 -4.83 116.67 115.81 3dw3 s ASP 65 Ca 0.52 -0.57 0.13 0.00 0.43 0.00 0.00 52.55 53.06 3dw3 s ASP 65 Cb -0.41 -2.56 0.38 0.00 -0.30 0.00 0.00 42.92 40.04 3dw3 s ASP 65 CO 0.51 -1.82 1.31 0.61 -0.17 0.00 0.00 175.17 175.61 3dw3 n GLY 66 N 5.63 1.10 0.59 2.66 0.00 -1.26 -4.41 105.19 109.49 3dw3 n GLY 66 Ca 0.08 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 3dw3 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dw3 n ASN 67 N 0.73 1.32 0.00 1.61 2.85 -1.26 -4.91 115.26 115.59 3dw3 n ASN 67 Ca 0.14 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.82 3dw3 n ASN 67 Cb 0.39 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.93 3dw3 n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3dw3 n GLY 68 N 2.40 0.79 0.26 8.20 0.00 -1.26 -4.88 105.19 110.70 3dw3 n GLY 68 Ca -0.14 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 3dw3 n GLY 68 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3dw3 h HIS 69 N 0.00 0.71 -0.78 1.61 2.07 -1.94 -0.11 115.15 116.71 3dw3 h HIS 69 Ca 0.00 -0.12 -0.02 0.00 -2.85 0.00 0.00 60.37 57.37 3dw3 h HIS 69 Cb 0.00 -0.19 -0.04 0.00 2.57 0.00 0.00 27.41 29.76 3dw3 h HIS 69 CO 0.00 0.75 0.40 0.78 -3.07 0.00 0.00 177.93 176.79 3dw3 h GLY 70 N 0.97 1.18 1.06 6.13 0.00 -1.89 -1.07 103.07 109.45 3dw3 h GLY 70 Ca 0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 3dw3 h GLY 70 CO 0.04 0.54 0.30 -0.84 0.00 0.00 0.00 176.54 176.58 3dw3 h THR 71 N 1.09 1.26 0.05 4.70 2.02 -1.24 -0.01 112.91 120.79 3dw3 h THR 71 Ca 0.27 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 3dw3 h THR 71 Cb 0.07 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3dw3 h THR 71 CO -0.04 0.34 -0.02 -0.74 0.37 0.00 0.00 175.52 175.43 3dw3 h HIS 72 N 1.16 -0.06 -0.32 3.16 6.17 -0.69 -0.56 115.15 124.02 3dw3 h HIS 72 Ca 0.26 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.36 3dw3 h HIS 72 Cb 0.23 0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.16 3dw3 h HIS 72 CO 0.02 0.11 0.16 0.00 0.71 0.00 0.00 177.93 178.93 3dw3 h ALA 74 N 1.16 1.50 -0.97 0.00 0.00 -0.92 -1.69 119.26 118.34 3dw3 h ALA 74 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dw3 h ALA 74 Cb 0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3dw3 h ALA 74 CO -0.09 0.41 0.61 0.78 0.00 0.00 0.00 179.25 180.96 3dw3 h GLY 75 N 1.01 1.39 1.72 0.00 0.00 -0.30 -0.69 103.07 106.21 3dw3 h GLY 75 Ca 0.33 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.97 3dw3 h GLY 75 CO -0.10 0.54 -0.52 -0.84 0.00 0.00 0.00 176.54 175.62 3dw3 h THR 76 N 1.33 1.35 0.23 4.70 2.02 -0.57 -1.11 112.91 120.85 3dw3 h THR 76 Ca 0.35 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 3dw3 h THR 76 Cb -0.10 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3dw3 h THR 76 CO -0.07 0.53 -0.11 0.58 0.37 0.00 0.00 175.52 176.82 3dw3 h VAL 77 N 0.23 0.84 0.00 3.16 2.07 -0.88 -0.70 116.25 120.97 3dw3 h VAL 77 Ca 0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3dw3 h VAL 77 Cb 0.99 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3dw3 h VAL 77 CO 0.08 0.10 -0.04 0.61 0.02 0.00 0.00 177.57 178.34 3dw3 n GLY 78 N -0.61 -1.09 3.77 2.17 0.00 -0.31 -0.72 105.19 108.40 3dw3 n GLY 78 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3dw3 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dw3 s SER 79 N -0.09 4.86 0.18 1.61 1.04 -0.46 -4.54 113.70 116.31 3dw3 s SER 79 Ca 0.00 1.96 -0.13 0.00 0.48 0.00 0.00 55.95 58.26 3dw3 s SER 79 Cb 0.00 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.68 3dw3 s SER 79 CO 0.00 -1.80 1.84 -0.09 0.98 0.00 0.00 173.24 174.17 3dw3 h ARG 80 N -0.37 0.74 0.08 4.02 2.43 -1.41 -1.04 114.38 118.83 3dw3 h ARG 80 Ca -0.46 -0.04 -0.37 0.00 -0.81 0.00 0.00 59.98 58.30 3dw3 h ARG 80 Cb 1.24 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3dw3 h ARG 80 CO 0.53 0.49 -2.09 2.41 -1.51 0.00 0.00 179.97 179.79 3dw3 n THR 81 N -4.71 1.69 0.88 0.20 -1.04 -1.26 -4.54 114.28 105.51 3dw3 n THR 81 Ca 0.04 -0.59 0.11 0.00 -2.04 0.00 0.00 64.05 61.57 3dw3 n THR 81 Cb 0.04 -1.68 0.09 0.00 -1.82 0.00 0.00 70.33 66.97 3dw3 n THR 81 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3dw3 n TYR 82 N -3.50 0.01 -3.94 -1.42 4.01 -1.24 -4.73 117.16 106.35 3dw3 n TYR 82 Ca -0.36 -0.01 -0.30 0.00 -0.16 0.00 0.00 57.90 57.07 3dw3 n TYR 82 Cb 1.01 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.00 3dw3 n TYR 82 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3dw3 s GLY 83 N -1.79 2.06 -0.00 2.72 0.00 -0.39 -4.13 107.32 105.79 3dw3 s GLY 83 Ca 0.25 -0.90 -0.22 0.00 0.00 0.00 0.00 44.72 43.85 3dw3 s GLY 83 CO 0.27 -0.89 1.20 -2.08 0.00 0.00 0.00 173.10 171.61 3dw3 h VAL 84 N 2.01 1.43 -3.46 1.40 2.07 -0.75 -3.41 116.25 115.54 3dw3 h VAL 84 Ca -0.46 -1.57 -0.69 0.00 0.82 0.00 0.00 66.70 64.80 3dw3 h VAL 84 Cb 1.17 2.28 -0.37 0.00 -1.52 0.00 0.00 31.29 32.85 3dw3 h VAL 84 CO 0.73 0.44 -0.37 0.00 0.02 0.00 0.00 177.57 178.40 3dw3 s ALA 85 N -3.80 3.67 -1.46 1.67 0.00 0.10 -4.92 121.76 117.02 3dw3 s ALA 85 Ca -0.15 -3.41 0.25 0.00 0.00 0.00 0.00 51.96 48.65 3dw3 s ALA 85 Cb 0.03 -2.59 1.25 0.00 0.00 0.00 0.00 23.12 21.81 3dw3 s ALA 85 CO 0.75 -2.11 1.82 1.63 0.00 0.00 0.00 175.76 177.85 3dw3 n LYS 86 N 3.13 0.37 -0.01 0.00 5.02 -0.99 -2.48 118.16 123.20 3dw3 n LYS 86 Ca 0.11 0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.45 3dw3 n LYS 86 Cb 0.37 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 3dw3 n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dw3 n LYS 87 N -1.27 2.40 -1.33 1.97 4.01 0.84 -4.70 118.16 120.08 3dw3 n LYS 87 Ca 0.12 -1.41 -0.31 0.00 -0.51 0.00 0.00 58.31 56.20 3dw3 n LYS 87 Cb 0.19 -0.95 0.08 0.00 -0.51 0.00 0.00 35.03 33.84 3dw3 n LYS 87 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3dw3 s THR 88 N -0.96 3.45 -0.10 -0.18 -1.32 -1.03 -3.92 115.64 111.58 3dw3 s THR 88 Ca 0.02 0.47 -0.16 0.00 -1.21 0.00 0.00 61.69 60.81 3dw3 s THR 88 Cb 0.02 -3.02 -0.05 0.00 -1.51 0.00 0.00 72.50 67.94 3dw3 s THR 88 CO 0.00 -0.62 0.41 -1.10 -2.21 0.00 0.00 174.62 171.10 3dw3 s GLN 89 N -4.94 4.20 -0.15 7.08 -1.52 -0.98 -4.88 119.66 118.47 3dw3 s GLN 89 Ca 0.61 0.34 -0.03 0.00 -1.95 0.00 0.00 55.36 54.33 3dw3 s GLN 89 Cb -0.16 -3.38 -0.02 0.00 -0.22 0.00 0.00 33.01 29.23 3dw3 s GLN 89 CO 0.56 0.32 -0.06 -0.51 -0.25 0.00 0.00 175.29 175.35 3dw3 s LEU 90 N 0.13 3.12 -0.17 2.90 1.43 0.22 -0.58 118.68 125.74 3dw3 s LEU 90 Ca 0.23 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3dw3 s LEU 90 Cb -0.15 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3dw3 s LEU 90 CO 0.09 0.16 -0.20 -0.36 0.23 0.00 0.00 176.35 176.27 3dw3 s PHE 91 N 0.43 2.70 -0.09 0.29 0.08 -0.41 -1.38 117.98 119.60 3dw3 s PHE 91 Ca -0.05 -1.53 -0.17 0.00 0.12 0.00 0.00 56.93 55.30 3dw3 s PHE 91 Cb -0.15 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 3dw3 s PHE 91 CO 0.03 -0.74 0.44 0.20 -0.10 0.00 0.00 175.22 175.05 3dw3 s GLY 92 N 1.17 2.40 -0.25 4.36 0.00 0.38 -0.70 107.32 114.70 3dw3 s GLY 92 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.53 3dw3 s GLY 92 CO -0.10 0.58 -0.05 0.14 0.00 0.00 0.00 173.10 173.67 3dw3 s VAL 93 N 0.15 1.63 -0.96 1.40 1.01 -0.67 -1.03 120.40 121.93 3dw3 s VAL 93 Ca 0.24 -1.35 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 3dw3 s VAL 93 Cb -0.15 -1.91 0.11 0.00 0.00 0.00 0.00 36.38 34.43 3dw3 s VAL 93 CO 0.11 -0.15 1.21 -0.75 0.00 0.00 0.00 175.10 175.52 3dw3 s LYS 94 N 1.33 3.61 0.03 2.72 2.20 0.21 -1.21 119.74 128.62 3dw3 s LYS 94 Ca -0.05 -1.63 0.23 0.00 -0.36 0.00 0.00 55.97 54.17 3dw3 s LYS 94 Cb -0.19 -5.03 0.05 0.00 -1.51 0.00 0.00 37.83 31.16 3dw3 s LYS 94 CO -0.07 -1.88 1.05 1.33 -0.36 0.00 0.00 175.35 175.42 3dw3 n VAL 95 N 5.81 0.09 -4.59 4.02 0.24 -0.52 -2.62 118.33 120.77 3dw3 n VAL 95 Ca 0.26 -0.15 -0.34 0.00 -2.04 0.00 0.00 64.34 62.07 3dw3 n VAL 95 Cb 0.49 0.39 -0.11 0.00 -1.47 0.00 0.00 33.84 33.14 3dw3 n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dw3 s LEU 96 N -3.57 3.18 0.00 1.34 1.43 -0.66 -4.50 118.68 115.90 3dw3 s LEU 96 Ca 0.06 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 3dw3 s LEU 96 Cb 0.15 -1.71 0.25 0.00 0.03 0.00 0.00 46.19 44.91 3dw3 s LEU 96 CO 0.80 0.32 1.04 -0.90 0.23 0.00 0.00 176.35 177.84 3dw3 n ASP 97 N 2.49 -1.30 0.00 2.29 5.68 0.87 -4.32 116.55 122.26 3dw3 n ASP 97 Ca -0.18 -1.20 0.09 0.00 -0.50 0.00 0.00 54.79 53.00 3dw3 n ASP 97 Cb 0.53 -0.89 0.44 0.00 -1.14 0.00 0.00 41.12 40.05 3dw3 n ASP 97 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dw3 n ASP 98 N -4.37 0.00 -0.57 -1.12 8.00 -1.26 -0.84 116.55 116.39 3dw3 n ASP 98 Ca 0.14 0.23 0.13 0.00 0.71 0.00 0.00 54.79 56.00 3dw3 n ASP 98 Cb 0.52 -0.38 0.40 0.00 -0.02 0.00 0.00 41.12 41.64 3dw3 n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dw3 n ASN 99 N -1.38 1.82 0.00 -2.24 5.03 -1.26 -4.20 115.26 113.03 3dw3 n ASN 99 Ca 0.07 -1.57 0.00 0.00 0.87 0.00 0.00 54.58 53.95 3dw3 n ASN 99 Cb 0.18 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 3dw3 n ASN 99 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dw3 n GLY 100 N 1.23 0.50 3.72 7.41 0.00 -0.02 -5.05 105.19 112.98 3dw3 n GLY 100 Ca 0.17 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 3dw3 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dw3 s SER 101 N -2.44 5.14 -0.27 1.61 0.01 -1.26 -4.80 113.70 111.70 3dw3 s SER 101 Ca 0.00 -0.19 -0.22 0.00 1.31 0.00 0.00 55.95 56.85 3dw3 s SER 101 Cb 0.00 -1.25 0.07 0.00 0.21 0.00 0.00 66.02 65.05 3dw3 s SER 101 CO 0.00 0.13 0.69 -0.83 0.41 0.00 0.00 173.24 173.64 3dw3 s GLY 102 N -2.64 -0.55 0.38 3.44 0.00 -1.26 -0.09 107.32 106.59 3dw3 s GLY 102 Ca 0.28 2.10 -0.26 0.00 0.00 0.00 0.00 44.72 46.83 3dw3 s GLY 102 CO 0.20 1.91 1.18 1.20 0.00 0.00 0.00 173.10 177.59 3dw3 s GLN 103 N 0.76 4.15 0.38 2.90 1.11 -1.26 -4.88 119.66 122.82 3dw3 s GLN 103 Ca -0.03 1.89 0.11 0.00 0.01 0.00 0.00 55.36 57.34 3dw3 s GLN 103 Cb -0.05 -2.78 0.89 0.00 -1.01 0.00 0.00 33.01 30.06 3dw3 s GLN 103 CO -0.05 -0.25 1.90 1.88 0.01 0.00 0.00 175.29 178.77 3dw3 h TYR 104 N 2.84 0.70 -0.51 0.91 0.05 -1.99 -1.10 116.97 117.87 3dw3 h TYR 104 Ca -0.49 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.28 3dw3 h TYR 104 Cb 1.23 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 3dw3 h TYR 104 CO 0.55 0.27 0.18 1.03 -1.05 0.00 0.00 178.16 179.15 3dw3 h SER 105 N 0.60 0.67 -0.19 3.88 0.87 -1.99 0.65 113.55 118.05 3dw3 h SER 105 Ca 0.41 -0.09 -0.15 0.00 -1.23 0.00 0.00 61.79 60.73 3dw3 h SER 105 Cb 0.72 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3dw3 h SER 105 CO -0.16 0.62 -0.46 0.74 -0.53 0.00 0.00 176.83 177.05 3dw3 h THR 106 N 0.73 1.32 -0.64 2.23 2.02 -1.60 -1.90 112.91 115.07 3dw3 h THR 106 Ca 0.17 -1.69 0.02 0.00 0.77 0.00 0.00 66.41 65.68 3dw3 h THR 106 Cb 0.18 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3dw3 h THR 106 CO -0.01 0.53 0.41 0.40 0.37 0.00 0.00 175.52 177.21 3dw3 h ILE 107 N 0.33 1.11 -0.28 3.11 2.04 -1.02 -0.54 117.51 122.26 3dw3 h ILE 107 Ca -0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3dw3 h ILE 107 Cb 1.07 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3dw3 h ILE 107 CO 0.10 0.15 0.14 0.40 0.00 0.00 0.00 178.15 178.94 3dw3 h ILE 108 N 0.81 1.14 -0.92 -0.67 2.04 -0.88 -1.87 117.51 117.15 3dw3 h ILE 108 Ca 0.25 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.82 3dw3 h ILE 108 Cb -0.03 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3dw3 h ILE 108 CO -0.08 0.14 0.57 0.00 0.00 0.00 0.00 178.15 178.77 3dw3 h ALA 109 N 1.01 1.31 -0.85 1.87 0.00 -1.02 -1.52 119.26 120.07 3dw3 h ALA 109 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dw3 h ALA 109 Cb 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3dw3 h ALA 109 CO -0.01 0.26 0.44 0.78 0.00 0.00 0.00 179.25 180.72 3dw3 h GLY 110 N 0.98 1.28 0.78 0.00 0.00 -0.65 0.75 103.07 106.21 3dw3 h GLY 110 Ca 0.42 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3dw3 h GLY 110 CO -0.21 0.58 0.01 -0.33 0.00 0.00 0.00 176.54 176.58 3dw3 h MET 111 N 1.19 0.16 -0.30 4.80 2.07 -0.73 -1.85 114.93 120.27 3dw3 h MET 111 Ca 0.30 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.86 3dw3 h MET 111 Cb 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.76 3dw3 h MET 111 CO -0.04 0.38 0.09 -0.44 1.07 0.00 0.00 176.91 177.97 3dw3 h ASP 112 N -0.09 0.38 -0.08 1.22 3.32 -1.16 -2.22 116.42 117.80 3dw3 h ASP 112 Ca 0.03 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3dw3 h ASP 112 Cb 0.30 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3dw3 h ASP 112 CO 0.00 0.38 0.00 0.15 -1.72 0.00 0.00 179.24 178.05 3dw3 h PHE 113 N 0.42 0.00 -0.84 4.55 3.04 -0.62 -2.67 116.94 120.81 3dw3 h PHE 113 Ca 0.10 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 3dw3 h PHE 113 Cb 0.14 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 3dw3 h PHE 113 CO 0.00 -0.01 0.51 0.28 -2.02 0.00 0.00 178.31 177.08 3dw3 h VAL 114 N 0.03 1.23 -0.87 1.41 2.07 -0.83 0.46 116.25 119.76 3dw3 h VAL 114 Ca 0.03 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3dw3 h VAL 114 Cb 0.04 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.80 3dw3 h VAL 114 CO -0.06 0.24 0.57 0.00 0.02 0.00 0.00 177.57 178.34 3dw3 h ALA 115 N 1.28 1.54 0.11 1.67 0.00 -1.22 -1.99 119.26 120.65 3dw3 h ALA 115 Ca 0.30 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3dw3 h ALA 115 Cb -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.49 3dw3 h ALA 115 CO -0.06 0.34 -0.65 1.03 0.00 0.00 0.00 179.25 179.90 3dw3 h SER 116 N 0.99 0.38 0.01 0.00 0.87 -1.08 -3.38 113.55 111.33 3dw3 h SER 116 Ca 0.37 -0.96 -0.00 0.00 -1.23 0.00 0.00 61.79 59.97 3dw3 h SER 116 Cb 0.18 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3dw3 h SER 116 CO -0.13 1.31 -0.00 -0.78 -0.53 0.00 0.00 176.83 176.70 3dw3 h ASP 117 N -0.48 0.00 -0.11 6.23 3.58 0.35 -1.35 116.42 124.63 3dw3 h ASP 117 Ca -0.11 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.37 3dw3 h ASP 117 Cb 1.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.56 3dw3 h ASP 117 CO 0.12 0.00 0.12 0.07 -2.88 0.00 0.00 179.24 176.68 3dw3 h LYS 118 N 0.00 0.00 0.00 0.28 2.10 -1.56 0.21 116.57 117.60 3dw3 h LYS 118 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dw3 h LYS 118 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3dw3 h LYS 118 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3dw3 n ASN 119 N -3.89 0.00 -0.95 7.07 5.03 -0.51 -2.12 115.26 119.89 3dw3 n ASN 119 Ca -0.00 0.32 0.09 0.00 0.87 0.00 0.00 54.58 55.86 3dw3 n ASN 119 Cb 0.23 -0.42 0.20 0.00 -1.02 0.00 0.00 39.78 38.77 3dw3 n ASN 119 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3dw3 n ASN 120 N -1.42 3.25 -4.37 6.41 3.02 0.72 -5.00 115.26 117.87 3dw3 n ASN 120 Ca 0.06 -1.94 -0.21 0.00 -0.03 0.00 0.00 54.58 52.46 3dw3 n ASN 120 Cb 0.19 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 38.97 3dw3 n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dw3 s ARG 121 N -1.12 1.39 -0.46 3.52 1.81 -0.90 -5.11 118.95 118.08 3dw3 s ARG 121 Ca 0.33 -1.55 -0.14 0.00 -1.72 0.00 0.00 55.73 52.65 3dw3 s ARG 121 Cb 0.18 -1.38 0.08 0.00 -0.45 0.00 0.00 34.95 33.38 3dw3 s ARG 121 CO 0.25 0.26 0.37 1.21 -0.68 0.00 0.00 175.30 176.71 3dw3 s ASN 122 N -3.07 6.03 -0.38 0.23 2.47 -1.26 -4.94 114.94 114.02 3dw3 s ASN 122 Ca 0.21 -1.41 0.11 0.00 0.42 0.00 0.00 52.86 52.19 3dw3 s ASN 122 Cb -0.04 -2.14 0.32 0.00 -1.45 0.00 0.00 41.25 37.95 3dw3 s ASN 122 CO 0.09 -0.64 0.68 0.00 -3.72 0.00 0.00 177.10 173.51 3dw3 h PRO 124 N 3.25 0.00 0.00 0.00 0.13 -1.78 -1.17 132.00 132.43 3dw3 h PRO 124 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3dw3 h PRO 124 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3dw3 h PRO 124 CO 0.48 0.00 -0.54 1.63 -0.23 0.00 0.00 178.00 179.34 3dw3 n LYS 125 N -3.98 0.06 0.00 0.86 4.76 -0.10 -5.03 118.16 114.73 3dw3 n LYS 125 Ca -0.03 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 3dw3 n LYS 125 Cb 0.08 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 3dw3 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dw3 n GLY 126 N 1.47 2.72 3.09 0.72 0.00 -0.44 -4.34 105.19 108.41 3dw3 n GLY 126 Ca 0.05 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 3dw3 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dw3 s VAL 127 N -1.95 1.24 0.08 1.61 1.01 -1.26 -1.69 120.40 119.44 3dw3 s VAL 127 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.44 3dw3 s VAL 127 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3dw3 s VAL 127 CO 0.00 0.36 -0.19 -0.69 0.00 0.00 0.00 175.10 174.59 3dw3 s VAL 128 N 0.11 1.52 -0.05 2.92 1.01 -0.18 -1.14 120.40 124.58 3dw3 s VAL 128 Ca -0.04 -1.39 0.04 0.00 0.00 0.00 0.00 61.98 60.59 3dw3 s VAL 128 Cb -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.89 3dw3 s VAL 128 CO 0.02 -0.04 -0.16 0.00 0.00 0.00 0.00 175.10 174.91 3dw3 s ALA 129 N -1.10 1.46 -0.23 5.51 0.00 0.44 -0.41 121.76 127.44 3dw3 s ALA 129 Ca 0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 3dw3 s ALA 129 Cb -0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3dw3 s ALA 129 CO 0.03 0.23 -0.03 0.45 0.00 0.00 0.00 175.76 176.44 3dw3 s SER 130 N 0.23 4.41 -0.58 0.00 0.15 0.51 -1.07 113.70 117.35 3dw3 s SER 130 Ca -0.08 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.19 3dw3 s SER 130 Cb -0.13 -1.76 0.14 0.00 -1.71 0.00 0.00 66.02 62.57 3dw3 s SER 130 CO 0.03 -0.03 0.35 -0.76 1.20 0.00 0.00 173.24 174.02 3dw3 s LEU 131 N 1.49 4.61 -1.27 3.45 1.43 0.02 -1.87 118.68 126.54 3dw3 s LEU 131 Ca 0.05 -3.13 -0.08 0.00 -1.03 0.00 0.00 54.13 49.94 3dw3 s LEU 131 Cb -0.15 -1.69 0.17 0.00 0.03 0.00 0.00 46.19 44.56 3dw3 s LEU 131 CO -0.02 -0.23 1.92 -1.20 0.23 0.00 0.00 176.35 177.04 3dw3 n SER 132 N 2.99 5.71 -3.65 2.29 7.64 -1.26 -1.73 113.62 125.61 3dw3 n SER 132 Ca 0.08 -3.15 -0.06 0.00 1.01 0.00 0.00 58.87 56.75 3dw3 n SER 132 Cb 0.34 -1.44 -0.01 0.00 -1.01 0.00 0.00 64.21 62.09 3dw3 n SER 132 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3dw3 s LEU 133 N -0.77 -0.18 0.00 -3.43 0.05 -1.26 -4.88 118.68 108.20 3dw3 s LEU 133 Ca 0.41 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 53.92 3dw3 s LEU 133 Cb 0.11 2.60 0.00 0.00 -2.05 0.00 0.00 46.19 46.84 3dw3 s LEU 133 CO -0.00 -1.30 0.00 0.61 -0.55 0.00 0.00 176.35 175.11 3dw3 n GLY 134 N -0.49 0.55 0.00 -3.48 0.00 -1.26 -4.46 105.19 96.05 3dw3 n GLY 134 Ca -0.05 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3dw3 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dw3 n GLY 135 N -0.88 2.84 3.67 -0.02 0.00 -0.50 -4.99 105.19 105.30 3dw3 n GLY 135 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3dw3 n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dw3 s GLY 136 N -0.08 1.66 0.15 -0.02 0.00 -1.26 -0.93 107.32 106.84 3dw3 s GLY 136 Ca 0.00 0.40 -0.34 0.00 0.00 0.00 0.00 44.72 44.77 3dw3 s GLY 136 CO 0.00 0.84 1.46 2.98 0.00 0.00 0.00 173.10 178.38 3dw3 n TYR 137 N -4.15 1.97 -3.64 1.90 9.36 -0.64 -3.60 117.16 118.35 3dw3 n TYR 137 Ca 0.10 0.43 -0.15 0.00 3.32 0.00 0.00 57.90 61.60 3dw3 n TYR 137 Cb 0.53 -2.45 -0.14 0.00 -0.63 0.00 0.00 39.34 36.65 3dw3 n TYR 137 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3dw3 s SER 138 N 0.65 0.55 0.38 2.98 0.15 -1.26 -4.92 113.70 112.24 3dw3 s SER 138 Ca 0.79 0.45 0.06 0.00 0.70 0.00 0.00 55.95 57.95 3dw3 s SER 138 Cb -0.77 0.57 0.76 0.00 -1.71 0.00 0.00 66.02 64.87 3dw3 s SER 138 CO 0.43 -0.25 1.99 0.77 1.20 0.00 0.00 173.24 177.38 3dw3 h SER 139 N 8.31 0.48 -0.44 5.45 4.64 -1.99 -1.68 113.55 128.33 3dw3 h SER 139 Ca -0.14 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.00 3dw3 h SER 139 Cb 1.12 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3dw3 h SER 139 CO 0.15 0.42 -0.29 0.28 -0.87 0.00 0.00 176.83 176.53 3dw3 h SER 140 N 0.54 1.01 -0.32 4.97 0.02 -1.98 -0.04 113.55 117.75 3dw3 h SER 140 Ca 0.14 -0.43 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 3dw3 h SER 140 Cb 0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3dw3 h SER 140 CO -0.02 1.22 0.04 0.58 -1.14 0.00 0.00 176.83 177.51 3dw3 h VAL 141 N 0.81 1.24 -0.63 2.27 2.07 -1.88 -1.56 116.25 118.57 3dw3 h VAL 141 Ca 0.09 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3dw3 h VAL 141 Cb 0.87 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3dw3 h VAL 141 CO 0.08 0.28 0.40 0.78 0.02 0.00 0.00 177.57 179.13 3dw3 h ASN 142 N 0.35 0.66 -0.73 0.57 4.21 -1.25 -2.05 115.58 117.35 3dw3 h ASN 142 Ca 0.09 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 3dw3 h ASN 142 Cb 0.37 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 3dw3 h ASN 142 CO 0.01 0.47 0.27 -1.28 -1.29 0.00 0.00 177.43 175.61 3dw3 h SER 143 N 0.79 1.03 -0.49 5.81 0.87 -0.87 -0.10 113.55 120.60 3dw3 h SER 143 Ca 0.24 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3dw3 h SER 143 Cb -0.03 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 3dw3 h SER 143 CO -0.08 0.93 0.28 0.00 -0.53 0.00 0.00 176.83 177.43 3dw3 h ALA 144 N 1.22 0.63 -0.73 6.23 0.00 -1.01 0.15 119.26 125.74 3dw3 h ALA 144 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3dw3 h ALA 144 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3dw3 h ALA 144 CO -0.02 0.13 0.39 0.00 0.00 0.00 0.00 179.25 179.75 3dw3 h ALA 145 N 1.13 0.94 -0.79 0.00 0.00 -0.97 -1.27 119.26 118.30 3dw3 h ALA 145 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dw3 h ALA 145 Cb 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3dw3 h ALA 145 CO -0.03 0.46 0.39 0.00 0.00 0.00 0.00 179.25 180.07 3dw3 h ALA 146 N 1.20 1.02 -0.40 0.00 0.00 -0.71 -1.39 119.26 118.98 3dw3 h ALA 146 Ca 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3dw3 h ALA 146 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3dw3 h ALA 146 CO -0.04 0.57 0.16 0.00 0.00 0.00 0.00 179.25 179.95 3dw3 h ARG 147 N 1.11 0.59 -0.29 0.00 3.08 -0.60 0.89 114.38 119.16 3dw3 h ARG 147 Ca 0.27 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.24 3dw3 h ARG 147 Cb 0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3dw3 h ARG 147 CO -0.04 0.56 0.12 1.25 -1.07 0.00 0.00 179.97 180.79 3dw3 h LEU 148 N 0.50 0.15 -0.07 3.04 5.85 -0.98 0.18 115.31 123.98 3dw3 h LEU 148 Ca 0.13 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3dw3 h LEU 148 Cb 0.18 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3dw3 h LEU 148 CO -0.01 0.12 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.60 3dw3 h GLN 149 N 0.26 0.02 -0.23 1.25 5.75 -1.11 -2.65 115.11 118.39 3dw3 h GLN 149 Ca 0.12 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.66 3dw3 h GLN 149 Cb 0.07 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3dw3 h GLN 149 CO -0.11 0.01 0.16 0.66 -2.65 0.00 0.00 178.83 176.90 3dw3 h SER 150 N 0.02 0.14 0.51 -0.69 4.64 -0.26 -1.65 113.55 116.25 3dw3 h SER 150 Ca 0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3dw3 h SER 150 Cb 0.04 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3dw3 h SER 150 CO -0.06 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 174.46 3dw3 n SER 151 N -4.49 0.00 0.00 4.97 3.41 0.00 -4.82 113.62 112.68 3dw3 n SER 151 Ca 0.02 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3dw3 n SER 151 Cb 0.20 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3dw3 n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dw3 n GLY 152 N 0.10 1.99 3.26 5.00 0.00 -0.63 -5.10 105.19 109.81 3dw3 n GLY 152 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3dw3 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dw3 s VAL 153 N -2.00 2.21 -0.43 1.61 1.01 -1.18 -4.53 120.40 117.08 3dw3 s VAL 153 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 3dw3 s VAL 153 Cb 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.54 3dw3 s VAL 153 CO 0.00 0.56 1.46 -0.32 0.00 0.00 0.00 175.10 176.80 3dw3 s MET 154 N 0.20 3.49 -0.29 2.72 1.75 -0.29 -4.05 119.30 122.83 3dw3 s MET 154 Ca -0.14 0.91 -0.12 0.00 -1.25 0.00 0.00 55.69 55.09 3dw3 s MET 154 Cb -0.17 -4.06 -0.04 0.00 2.84 0.00 0.00 34.83 33.40 3dw3 s MET 154 CO 0.07 -1.68 0.23 0.08 -0.65 0.00 0.00 175.02 173.07 3dw3 s VAL 155 N 5.75 5.28 -0.15 10.11 1.01 -1.26 -0.42 120.40 140.72 3dw3 s VAL 155 Ca 0.62 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 3dw3 s VAL 155 Cb -0.14 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3dw3 s VAL 155 CO 0.32 0.20 -0.08 0.00 0.00 0.00 0.00 175.10 175.54 3dw3 s ALA 156 N 1.81 2.80 0.05 5.51 0.00 -0.24 -0.67 121.76 131.02 3dw3 s ALA 156 Ca 0.08 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.19 3dw3 s ALA 156 Cb -0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 3dw3 s ALA 156 CO 0.11 0.12 -0.15 0.14 0.00 0.00 0.00 175.76 175.98 3dw3 s VAL 157 N 0.55 1.22 0.31 0.00 -7.23 0.14 -0.80 120.40 114.57 3dw3 s VAL 157 Ca -0.06 -1.12 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 3dw3 s VAL 157 Cb -0.15 -1.11 -0.10 0.00 0.56 0.00 0.00 36.38 35.58 3dw3 s VAL 157 CO 0.03 -0.02 1.33 0.00 -0.31 0.00 0.00 175.10 176.13 3dw3 s ALA 158 N -0.95 3.52 0.29 1.32 0.00 -0.71 -0.76 121.76 124.47 3dw3 s ALA 158 Ca 0.02 1.26 0.14 0.00 0.00 0.00 0.00 51.96 53.38 3dw3 s ALA 158 Cb -0.09 -3.49 0.60 0.00 0.00 0.00 0.00 23.12 20.14 3dw3 s ALA 158 CO 0.02 -0.65 1.73 0.00 0.00 0.00 0.00 175.76 176.86 3dw3 h ALA 159 N 3.84 1.13 0.00 0.00 0.00 -1.25 -3.39 119.26 119.60 3dw3 h ALA 159 Ca -0.48 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3dw3 h ALA 159 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3dw3 h ALA 159 CO 0.69 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.92 3dw3 n GLY 160 N -0.04 2.79 2.10 0.00 0.00 -1.26 -4.71 105.19 104.07 3dw3 n GLY 160 Ca -0.01 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 3dw3 n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dw3 n ASN 161 N 0.00 5.83 -0.84 1.61 3.02 -1.26 -1.13 115.26 122.49 3dw3 n ASN 161 Ca 0.00 -3.77 0.10 0.00 -0.03 0.00 0.00 54.58 50.88 3dw3 n ASN 161 Cb 0.00 -0.58 0.11 0.00 -0.61 0.00 0.00 39.78 38.70 3dw3 n ASN 161 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dw3 n ASN 162 N -0.80 2.78 -4.07 6.41 3.02 -0.98 -4.79 115.26 116.83 3dw3 n ASN 162 Ca 0.50 -1.85 -0.29 0.00 -0.03 0.00 0.00 54.58 52.91 3dw3 n ASN 162 Cb 0.86 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.95 3dw3 n ASN 162 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dw3 n ASN 163 N 1.15 -0.90 -3.97 6.41 4.05 -0.16 -4.94 115.26 116.90 3dw3 n ASN 163 Ca 0.13 -1.04 -0.13 0.00 0.45 0.00 0.00 54.58 53.99 3dw3 n ASN 163 Cb 0.51 -2.79 -0.08 0.00 1.23 0.00 0.00 39.78 38.64 3dw3 n ASN 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3dw3 s ALA 164 N -3.85 0.95 -0.03 5.20 0.00 -1.26 -4.93 121.76 117.83 3dw3 s ALA 164 Ca 0.19 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 3dw3 s ALA 164 Cb -0.10 1.32 -0.05 0.00 0.00 0.00 0.00 23.12 24.28 3dw3 s ALA 164 CO 0.91 -0.67 1.50 0.34 0.00 0.00 0.00 175.76 177.85 3dw3 s ASP 165 N -3.17 6.77 0.00 0.00 -1.08 -1.26 -1.46 116.67 116.47 3dw3 s ASP 165 Ca 0.35 2.14 0.13 0.00 -0.52 0.00 0.00 52.55 54.65 3dw3 s ASP 165 Cb 0.04 -2.55 0.63 0.00 -1.46 0.00 0.00 42.92 39.59 3dw3 s ASP 165 CO 0.14 -0.82 1.33 0.00 0.52 0.00 0.00 175.17 176.34 3dw3 n ALA 166 N 6.20 1.73 0.23 3.66 0.00 0.49 -3.16 120.51 129.66 3dw3 n ALA 166 Ca 0.15 -0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.71 3dw3 n ALA 166 Cb 0.43 -1.21 0.87 0.00 0.00 0.00 0.00 19.45 19.54 3dw3 n ALA 166 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3dw3 h ARG 167 N 0.00 0.00 -0.62 0.00 0.11 -1.90 -2.20 114.38 109.76 3dw3 h ARG 167 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dw3 h ARG 167 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 3dw3 h ARG 167 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3dw3 n ASN 168 N -3.62 3.79 -4.15 0.08 5.03 -1.19 -4.79 115.26 110.41 3dw3 n ASN 168 Ca 0.01 -2.32 -0.16 0.00 0.87 0.00 0.00 54.58 52.98 3dw3 n ASN 168 Cb 0.31 -0.50 -0.11 0.00 -1.02 0.00 0.00 39.78 38.46 3dw3 n ASN 168 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3dw3 s TYR 169 N -1.74 1.03 0.01 3.10 2.02 -0.83 -1.63 117.35 119.31 3dw3 s TYR 169 Ca 0.40 -0.55 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 3dw3 s TYR 169 Cb 0.25 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 41.22 3dw3 s TYR 169 CO 0.20 0.00 -0.11 -1.12 -1.57 0.00 0.00 175.55 172.96 3dw3 s SER 170 N -1.98 1.25 0.00 2.29 0.01 -0.11 -0.97 113.70 114.19 3dw3 s SER 170 Ca -0.01 -0.27 0.07 0.00 1.31 0.00 0.00 55.95 57.05 3dw3 s SER 170 Cb -0.07 -0.11 0.44 0.00 0.21 0.00 0.00 66.02 66.49 3dw3 s SER 170 CO 0.01 0.07 1.24 -0.81 0.41 0.00 0.00 173.24 174.16 3dw3 n PRO 171 N 2.50 0.94 -0.35 12.44 -0.04 -1.26 -1.42 135.00 147.82 3dw3 n PRO 171 Ca -0.15 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.46 3dw3 n PRO 171 Cb 0.56 -1.12 0.36 0.00 -0.04 0.00 0.00 33.50 33.26 3dw3 n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dw3 h ALA 172 N 3.13 1.74 -0.00 0.55 0.00 -1.75 -1.34 119.26 121.59 3dw3 h ALA 172 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dw3 h ALA 172 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dw3 h ALA 172 CO 0.00 -0.18 -0.02 -1.13 0.00 0.00 0.00 179.25 177.92 3dw3 n SER 173 N -4.84 0.13 -4.65 0.00 3.41 -0.15 -4.79 113.62 102.74 3dw3 n SER 173 Ca 0.25 -0.60 -0.43 0.00 -0.26 0.00 0.00 58.87 57.84 3dw3 n SER 173 Cb 0.68 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 3dw3 n SER 173 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3dw3 s GLU 174 N -2.31 4.04 0.45 4.33 2.56 -0.51 -4.91 118.70 122.35 3dw3 s GLU 174 Ca 0.37 1.84 0.14 0.00 0.00 0.00 0.00 54.97 57.32 3dw3 s GLU 174 Cb 0.21 -3.95 1.02 0.00 2.00 0.00 0.00 34.13 33.40 3dw3 s GLU 174 CO 0.42 -0.99 2.01 -1.35 -0.56 0.00 0.00 175.26 174.79 3dw3 h PRO 175 N 9.68 0.05 -0.00 4.30 0.11 -1.89 -3.17 132.00 141.08 3dw3 h PRO 175 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3dw3 h PRO 175 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dw3 h PRO 175 CO 0.98 0.18 -0.14 -1.13 -0.21 0.00 0.00 178.00 177.68 3dw3 n SER 176 N -4.36 0.26 -4.91 -2.05 3.41 -1.26 -4.83 113.62 99.88 3dw3 n SER 176 Ca -0.02 -0.08 -0.20 0.00 -0.26 0.00 0.00 58.87 58.31 3dw3 n SER 176 Cb 0.21 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3dw3 n SER 176 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3dw3 s VAL 177 N -2.78 3.00 -0.47 -3.33 -7.23 -1.20 -4.96 120.40 103.43 3dw3 s VAL 177 Ca 0.20 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 58.93 3dw3 s VAL 177 Cb 0.19 -3.06 0.04 0.00 0.56 0.00 0.00 36.38 34.11 3dw3 s VAL 177 CO 0.54 -0.04 0.60 0.00 -0.31 0.00 0.00 175.10 175.89 3dw3 s THR 179 N 2.63 5.19 -0.23 0.00 2.01 -1.26 -0.69 115.64 123.29 3dw3 s THR 179 Ca 0.17 0.69 -0.03 0.00 0.31 0.00 0.00 61.69 62.83 3dw3 s THR 179 Cb -0.17 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.62 3dw3 s THR 179 CO 0.14 0.23 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 3dw3 s VAL 180 N 1.49 3.09 0.67 3.82 1.01 0.06 -1.03 120.40 129.50 3dw3 s VAL 180 Ca 0.18 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3dw3 s VAL 180 Cb -0.15 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.84 3dw3 s VAL 180 CO 0.08 0.35 0.95 -0.83 0.00 0.00 0.00 175.10 175.65 3dw3 s GLY 181 N 1.41 1.75 -0.02 4.51 0.00 0.08 -0.82 107.32 114.24 3dw3 s GLY 181 Ca 0.04 -1.21 0.05 0.00 0.00 0.00 0.00 44.72 43.60 3dw3 s GLY 181 CO -0.05 -0.80 -0.16 0.00 0.00 0.00 0.00 173.10 172.10 3dw3 s ALA 182 N -3.10 2.62 0.31 3.20 0.00 -1.26 -1.03 121.76 122.50 3dw3 s ALA 182 Ca 0.61 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.60 3dw3 s ALA 182 Cb -0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 3dw3 s ALA 182 CO 0.43 0.56 -0.10 -1.54 0.00 0.00 0.00 175.76 175.11 3dw3 s SER 183 N -0.96 3.35 0.51 0.00 1.04 -0.25 -0.59 113.70 116.80 3dw3 s SER 183 Ca 0.13 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 55.46 3dw3 s SER 183 Cb -0.11 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.77 3dw3 s SER 183 CO 0.02 -0.22 0.48 1.51 0.98 0.00 0.00 173.24 176.01 3dw3 s ASP 184 N -3.53 4.86 0.20 7.02 1.47 0.03 -0.67 116.67 126.04 3dw3 s ASP 184 Ca 0.31 -1.01 0.18 0.00 1.18 0.00 0.00 52.55 53.22 3dw3 s ASP 184 Cb 0.02 0.08 0.84 0.00 -0.34 0.00 0.00 42.92 43.52 3dw3 s ASP 184 CO 0.14 -1.01 1.56 -1.14 0.68 0.00 0.00 175.17 175.41 3dw3 n ARG 185 N -1.79 0.12 -0.65 2.11 0.63 -1.26 -1.05 116.66 114.77 3dw3 n ARG 185 Ca 0.04 0.46 0.08 0.00 -0.92 0.00 0.00 57.85 57.51 3dw3 n ARG 185 Cb 0.63 -1.78 0.34 0.00 0.45 0.00 0.00 32.46 32.10 3dw3 n ARG 185 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3dw3 n TYR 186 N -2.02 1.51 -2.24 -0.14 4.01 -1.26 -4.40 117.16 112.61 3dw3 n TYR 186 Ca 0.01 -0.70 -0.19 0.00 -0.16 0.00 0.00 57.90 56.87 3dw3 n TYR 186 Cb 0.14 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 38.81 3dw3 n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3dw3 n ASP 187 N 0.57 -5.38 -4.84 7.72 8.00 -0.21 -4.89 116.55 117.52 3dw3 n ASP 187 Ca 0.25 0.05 -0.36 0.00 0.71 0.00 0.00 54.79 55.43 3dw3 n ASP 187 Cb 0.97 -4.44 -0.06 0.00 -0.02 0.00 0.00 41.12 37.56 3dw3 n ASP 187 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dw3 s ARG 188 N -4.75 3.96 0.16 -1.24 0.52 -1.26 -0.53 118.95 115.82 3dw3 s ARG 188 Ca 0.00 0.46 -0.34 0.00 -0.52 0.00 0.00 55.73 55.33 3dw3 s ARG 188 Cb 0.00 -3.03 -0.14 0.00 0.52 0.00 0.00 34.95 32.30 3dw3 s ARG 188 CO 0.00 0.55 1.50 -2.13 0.02 0.00 0.00 175.30 175.24 3dw3 n ARG 189 N 1.10 1.94 -1.73 3.54 0.63 -0.26 -0.79 116.66 121.09 3dw3 n ARG 189 Ca -0.08 0.70 -0.42 0.00 -0.92 0.00 0.00 57.85 57.14 3dw3 n ARG 189 Cb 0.52 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.00 3dw3 n ARG 189 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3dw3 n SER 190 N 3.04 3.13 0.27 6.15 7.64 0.25 -4.75 113.62 129.35 3dw3 n SER 190 Ca 0.16 1.19 0.10 0.00 1.01 0.00 0.00 58.87 61.34 3dw3 n SER 190 Cb 0.27 -1.54 0.72 0.00 -1.01 0.00 0.00 64.21 62.65 3dw3 n SER 190 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3dw3 h SER 191 N 2.60 0.00 0.40 6.43 4.64 -1.90 -0.54 113.55 125.18 3dw3 h SER 191 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3dw3 h SER 191 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3dw3 h SER 191 CO 0.62 0.04 -0.55 2.22 -0.87 0.00 0.00 176.83 178.29 3dw3 n PHE 192 N -4.21 0.00 -2.13 4.77 1.16 -1.26 -4.65 117.46 111.14 3dw3 n PHE 192 Ca -0.03 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.13 3dw3 n PHE 192 Cb 0.12 -0.20 -0.03 0.00 -1.61 0.00 0.00 39.48 37.76 3dw3 n PHE 192 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3dw3 s SER 193 N -2.95 6.79 1.03 5.98 0.15 -0.21 -0.99 113.70 123.50 3dw3 s SER 193 Ca 0.12 2.40 -0.12 0.00 0.70 0.00 0.00 55.95 59.05 3dw3 s SER 193 Cb 0.17 -2.59 0.21 0.00 -1.71 0.00 0.00 66.02 62.10 3dw3 s SER 193 CO 0.71 -0.66 1.08 0.20 1.20 0.00 0.00 173.24 175.76 3dw3 s ASN 194 N 0.93 2.17 0.00 5.45 0.02 -0.28 -4.08 114.94 119.15 3dw3 s ASN 194 Ca 0.64 1.66 0.00 0.00 -1.02 0.00 0.00 52.86 54.14 3dw3 s ASN 194 Cb -0.38 -2.31 0.00 0.00 0.02 0.00 0.00 41.25 38.58 3dw3 s ASN 194 CO 0.32 -3.48 0.00 0.00 0.02 0.00 0.00 177.10 173.96 3dw3 n TYR 195 N -4.45 -0.41 0.00 2.20 4.11 -0.54 -4.74 117.16 113.33 3dw3 n TYR 195 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 3dw3 n TYR 195 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 3dw3 n TYR 195 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3dw3 n GLY 196 N 0.00 1.95 0.31 -7.48 0.00 -1.26 -0.38 105.19 98.32 3dw3 n GLY 196 Ca 0.00 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.97 3dw3 n GLY 196 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dw3 h SER 197 N 0.00 0.00 1.16 1.61 4.64 -1.97 -2.54 113.55 116.46 3dw3 h SER 197 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dw3 h SER 197 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dw3 h SER 197 CO 0.00 0.00 0.00 1.62 -0.87 0.00 0.00 176.83 177.58 3dw3 h VAL 198 N 0.00 0.00 -3.90 0.95 3.04 -1.92 -3.45 116.25 110.98 3dw3 h VAL 198 Ca 0.10 -0.47 -0.52 0.00 -1.01 0.00 0.00 66.70 64.79 3dw3 h VAL 198 Cb 0.41 1.38 0.07 0.00 -2.01 0.00 0.00 31.29 31.14 3dw3 h VAL 198 CO -0.00 0.00 0.64 -0.76 -1.01 0.00 0.00 177.57 176.44 3dw3 s LEU 199 N -5.21 4.37 -0.08 3.16 1.02 -0.96 -4.54 118.68 116.45 3dw3 s LEU 199 Ca 0.05 2.71 0.12 0.00 0.02 0.00 0.00 54.13 57.03 3dw3 s LEU 199 Cb 0.09 -3.71 -0.17 0.00 0.02 0.00 0.00 46.19 42.43 3dw3 s LEU 199 CO 0.52 -0.63 0.13 0.47 0.02 0.00 0.00 176.35 176.86 3dw3 n ASP 200 N 0.62 2.00 -3.53 2.29 8.00 -0.20 -4.65 116.55 121.08 3dw3 n ASP 200 Ca 0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.41 3dw3 n ASP 200 Cb 0.42 1.09 -0.03 0.00 -0.02 0.00 0.00 41.12 42.57 3dw3 n ASP 200 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3dw3 s ILE 201 N -2.52 0.00 0.08 0.53 1.10 -1.11 -4.77 121.20 114.52 3dw3 s ILE 201 Ca -0.06 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.15 3dw3 s ILE 201 Cb 0.05 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.63 3dw3 s ILE 201 CO 0.52 0.00 -0.12 -0.36 -2.11 0.00 0.00 174.94 172.87 3dw3 s PHE 202 N -2.29 2.70 0.15 3.50 0.40 -0.17 -0.74 117.98 121.53 3dw3 s PHE 202 Ca 0.01 -0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 3dw3 s PHE 202 Cb -0.01 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 3dw3 s PHE 202 CO -0.04 0.39 0.05 0.20 0.70 0.00 0.00 175.22 176.52 3dw3 s GLY 203 N -1.99 1.09 0.03 4.36 0.00 -0.19 -0.93 107.32 109.69 3dw3 s GLY 203 Ca 0.19 -1.52 -0.34 0.00 0.00 0.00 0.00 44.72 43.05 3dw3 s GLY 203 CO 0.11 -1.40 1.73 -1.05 0.00 0.00 0.00 173.10 172.49 3dw3 n PRO 204 N -0.14 2.16 0.00 2.90 -0.02 -1.26 -1.09 135.00 137.55 3dw3 n PRO 204 Ca -0.05 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3dw3 n PRO 204 Cb 0.64 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3dw3 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dw3 n GLY 205 N 3.92 0.96 3.56 -1.23 0.00 0.16 -2.76 105.19 109.80 3dw3 n GLY 205 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3dw3 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dw3 s THR 206 N -0.11 4.62 -0.97 2.61 2.01 -1.00 -0.31 115.64 122.48 3dw3 s THR 206 Ca 0.00 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 3dw3 s THR 206 Cb 0.00 -3.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.34 3dw3 s THR 206 CO 0.00 0.41 0.86 -1.20 -0.69 0.00 0.00 174.62 173.99 3dw3 n SER 207 N 4.09 -6.76 -4.45 3.53 7.64 -1.22 -4.65 113.62 111.80 3dw3 n SER 207 Ca -0.16 -0.57 -0.39 0.00 1.01 0.00 0.00 58.87 58.75 3dw3 n SER 207 Cb 0.52 -5.12 -0.11 0.00 -1.01 0.00 0.00 64.21 58.48 3dw3 n SER 207 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dw3 s ILE 208 N -3.31 4.76 0.01 0.44 -1.09 -0.20 -4.87 121.20 116.95 3dw3 s ILE 208 Ca 0.36 -0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 58.01 3dw3 s ILE 208 Cb -0.05 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 3dw3 s ILE 208 CO 0.72 -0.02 1.00 -0.22 -1.23 0.00 0.00 174.94 175.19 3dw3 s LEU 209 N 1.63 4.38 0.00 2.97 2.96 -1.26 -2.11 118.68 127.24 3dw3 s LEU 209 Ca 0.04 1.69 -0.09 0.00 -0.22 0.00 0.00 54.13 55.56 3dw3 s LEU 209 Cb -0.18 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.98 3dw3 s LEU 209 CO 0.07 -0.27 0.51 -0.24 -1.32 0.00 0.00 176.35 175.10 3dw3 n SER 210 N 3.85 -1.47 -4.73 3.68 2.88 -0.46 -4.88 113.62 112.48 3dw3 n SER 210 Ca 0.06 -2.12 -0.35 0.00 -1.33 0.00 0.00 58.87 55.14 3dw3 n SER 210 Cb 0.51 2.48 0.08 0.00 -0.75 0.00 0.00 64.21 66.52 3dw3 n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dw3 s THR 211 N -2.44 2.40 0.16 2.46 -4.23 -1.26 -1.26 115.64 111.47 3dw3 s THR 211 Ca 0.12 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 3dw3 s THR 211 Cb -0.03 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 3dw3 s THR 211 CO 0.09 -0.09 0.13 0.86 -0.54 0.00 0.00 174.62 175.07 3dw3 s TRP 212 N -1.88 0.86 0.85 3.99 -0.11 -0.01 -2.87 118.94 119.76 3dw3 s TRP 212 Ca 0.75 -1.18 -0.11 0.00 1.22 0.00 0.00 56.10 56.78 3dw3 s TRP 212 Cb -0.30 -0.41 0.10 0.00 -1.50 0.00 0.00 33.47 31.37 3dw3 s TRP 212 CO 0.42 -0.61 1.10 0.96 -4.62 0.00 0.00 176.95 174.20 3dw3 s ILE 213 N -4.07 2.89 -1.08 5.86 -4.36 -1.26 -2.20 121.20 116.98 3dw3 s ILE 213 Ca 0.28 0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 3dw3 s ILE 213 Cb 0.06 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 41.07 3dw3 s ILE 213 CO 0.05 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.46 3dw3 n GLY 214 N -0.94 0.38 2.49 6.27 0.00 -1.26 -3.42 105.19 108.71 3dw3 n GLY 214 Ca 0.08 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 3dw3 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dw3 n GLY 215 N -1.20 -0.31 0.48 -0.02 0.00 -1.22 -4.99 105.19 97.92 3dw3 n GLY 215 Ca -0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 3dw3 n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dw3 n SER 216 N -1.40 1.41 -4.11 1.61 3.41 -0.93 -4.96 113.62 108.64 3dw3 n SER 216 Ca -0.16 -1.25 -0.08 0.00 -0.26 0.00 0.00 58.87 57.11 3dw3 n SER 216 Cb 0.63 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 3dw3 n SER 216 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dw3 s THR 217 N -0.52 0.15 -0.28 6.66 -4.23 -1.26 -0.83 115.64 115.33 3dw3 s THR 217 Ca 0.03 -1.85 -0.23 0.00 -1.18 0.00 0.00 61.69 58.46 3dw3 s THR 217 Cb -0.00 -1.80 0.09 0.00 1.34 0.00 0.00 72.50 72.13 3dw3 s THR 217 CO 0.02 -0.70 0.82 -0.60 -0.54 0.00 0.00 174.62 173.62 3dw3 s ARG 218 N -3.99 0.70 -0.24 3.99 6.06 -0.39 -4.81 118.95 120.28 3dw3 s ARG 218 Ca 0.16 0.89 -0.09 0.00 -2.50 0.00 0.00 55.73 54.19 3dw3 s ARG 218 Cb 0.08 0.31 -0.04 0.00 0.06 0.00 0.00 34.95 35.36 3dw3 s ARG 218 CO -0.04 -0.09 0.12 0.45 -2.50 0.00 0.00 175.30 173.24 3dw3 s SER 219 N 0.53 5.69 0.26 -2.12 0.15 -1.26 -1.36 113.70 115.59 3dw3 s SER 219 Ca -0.01 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.64 3dw3 s SER 219 Cb -0.05 -2.02 -0.05 0.00 -1.71 0.00 0.00 66.02 62.19 3dw3 s SER 219 CO -0.04 0.03 0.12 0.27 1.20 0.00 0.00 173.24 174.82 3dw3 s ILE 220 N 1.23 0.40 0.06 6.45 -4.36 -0.90 -4.84 121.20 119.24 3dw3 s ILE 220 Ca 0.06 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.51 3dw3 s ILE 220 Cb -0.14 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 3dw3 s ILE 220 CO 0.05 0.00 -0.17 -0.44 0.24 0.00 0.00 174.94 174.62 3dw3 s SER 221 N -3.31 2.05 0.00 4.36 0.01 -1.26 -1.03 113.70 114.52 3dw3 s SER 221 Ca 0.37 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.09 3dw3 s SER 221 Cb 0.07 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.17 3dw3 s SER 221 CO 0.15 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.46 3dw3 n GLY 222 N 1.65 2.85 0.30 3.44 0.00 0.57 -4.87 105.19 109.12 3dw3 n GLY 222 Ca -0.18 -0.93 0.20 0.00 0.00 0.00 0.00 46.02 45.11 3dw3 n GLY 222 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dw3 h THR 223 N 0.98 0.00 -0.12 2.61 1.35 -1.85 -0.78 112.91 115.09 3dw3 h THR 223 Ca 0.00 -0.20 0.03 0.00 -0.55 0.00 0.00 66.41 65.70 3dw3 h THR 223 Cb 0.00 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3dw3 h THR 223 CO 0.00 0.00 0.10 0.28 -0.25 0.00 0.00 175.52 175.65 3dw3 h SER 224 N 0.00 0.00 0.49 5.36 0.02 -1.90 -1.71 113.55 115.81 3dw3 h SER 224 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 3dw3 h SER 224 Cb 0.20 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3dw3 h SER 224 CO 0.00 0.00 -1.68 0.24 -1.14 0.00 0.00 176.83 174.25 3dw3 h MET 225 N 0.00 0.04 -0.30 3.45 2.86 -1.44 -3.37 114.93 116.16 3dw3 h MET 225 Ca 0.06 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 3dw3 h MET 225 Cb 0.25 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3dw3 h MET 225 CO -0.00 0.63 -0.35 0.00 1.06 0.00 0.00 176.91 178.25 3dw3 h ALA 226 N 0.88 0.45 -0.17 6.32 0.00 -1.31 -3.32 119.26 122.12 3dw3 h ALA 226 Ca -0.28 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.25 3dw3 h ALA 226 Cb 2.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 3dw3 h ALA 226 CO 0.09 0.52 -0.23 1.15 0.00 0.00 0.00 179.25 180.77 3dw3 h THR 227 N 0.53 0.43 0.00 0.00 2.02 -1.48 -1.84 112.91 112.57 3dw3 h THR 227 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3dw3 h THR 227 Cb 0.94 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3dw3 h THR 227 CO 0.08 0.00 -0.06 1.55 0.37 0.00 0.00 175.52 177.46 3dw3 h PRO 228 N -0.27 0.00 -0.44 6.66 0.13 -1.72 0.05 132.00 136.40 3dw3 h PRO 228 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 3dw3 h PRO 228 Cb 0.44 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 3dw3 h PRO 228 CO -0.32 0.06 0.22 0.45 -0.23 0.00 0.00 178.00 178.18 3dw3 h HIS 229 N 0.00 0.62 -0.35 1.56 3.86 -1.43 0.25 115.15 119.65 3dw3 h HIS 229 Ca -0.00 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.05 3dw3 h HIS 229 Cb 0.28 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3dw3 h HIS 229 CO 0.00 0.50 -0.28 0.28 0.86 0.00 0.00 177.93 179.29 3dw3 h VAL 230 N 0.57 1.29 -0.28 2.45 2.07 -1.03 -0.20 116.25 121.11 3dw3 h VAL 230 Ca 0.15 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 3dw3 h VAL 230 Cb 0.11 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3dw3 h VAL 230 CO -0.02 0.48 0.16 0.00 0.02 0.00 0.00 177.57 178.21 3dw3 h ALA 231 N 0.76 0.36 -0.78 1.67 0.00 -0.97 -0.05 119.26 120.25 3dw3 h ALA 231 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dw3 h ALA 231 Cb 0.86 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3dw3 h ALA 231 CO 0.07 -0.13 0.41 0.78 0.00 0.00 0.00 179.25 180.38 3dw3 h GLY 232 N 0.35 1.17 1.00 0.00 0.00 -0.90 -1.82 103.07 102.87 3dw3 h GLY 232 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3dw3 h GLY 232 CO -0.02 0.53 0.29 -2.00 0.00 0.00 0.00 176.54 175.34 3dw3 h LEU 233 N 1.08 0.52 -0.39 3.11 5.85 -0.68 -0.83 115.31 123.98 3dw3 h LEU 233 Ca 0.27 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.01 3dw3 h LEU 233 Cb 0.06 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3dw3 h LEU 233 CO -0.04 0.39 0.14 0.00 -0.34 0.00 0.00 178.44 178.59 3dw3 h ALA 234 N 1.15 0.45 -0.42 1.25 0.00 -0.71 0.51 119.26 121.49 3dw3 h ALA 234 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dw3 h ALA 234 Cb -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3dw3 h ALA 234 CO -0.03 -0.25 0.27 0.00 0.00 0.00 0.00 179.25 179.24 3dw3 h ALA 235 N 1.25 0.53 -0.47 0.00 0.00 -1.01 0.11 119.26 119.67 3dw3 h ALA 235 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3dw3 h ALA 235 Cb 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3dw3 h ALA 235 CO -0.18 -0.01 0.22 -0.92 0.00 0.00 0.00 179.25 178.37 3dw3 h TYR 236 N 0.56 0.40 -0.20 0.00 3.20 -0.78 -1.29 116.97 118.87 3dw3 h TYR 236 Ca 0.15 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 3dw3 h TYR 236 Cb -0.05 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3dw3 h TYR 236 CO -0.04 0.19 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.21 3dw3 h LEU 237 N 0.44 0.47 -0.45 2.82 3.38 -0.54 -2.49 115.31 118.94 3dw3 h LEU 237 Ca 0.21 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3dw3 h LEU 237 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3dw3 h LEU 237 CO -0.16 0.81 -0.06 0.24 0.09 0.00 0.00 178.44 179.36 3dw3 h MET 238 N 0.37 0.83 -0.70 1.13 2.86 -0.70 -1.15 114.93 117.58 3dw3 h MET 238 Ca 0.04 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3dw3 h MET 238 Cb 0.85 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.41 3dw3 h MET 238 CO 0.07 0.92 0.46 1.79 1.06 0.00 0.00 176.91 181.21 3dw3 h THR 239 N 0.67 1.17 0.00 2.22 1.35 -1.12 -0.82 112.91 116.37 3dw3 h THR 239 Ca 0.12 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3dw3 h THR 239 Cb 0.58 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 3dw3 h THR 239 CO 0.03 0.17 0.00 0.18 -0.25 0.00 0.00 175.52 175.65 3dw3 n LEU 240 N -4.43 0.08 -0.20 3.87 4.77 -0.95 -4.89 117.00 115.26 3dw3 n LEU 240 Ca 0.08 0.52 -0.03 0.00 -0.03 0.00 0.00 56.01 56.55 3dw3 n LEU 240 Cb 0.05 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 3dw3 n LEU 240 CO 0.36 -0.24 -0.02 0.61 -1.33 0.00 0.00 177.39 176.77 3dw3 n GLY 241 N 0.28 0.59 0.15 -0.72 0.00 -0.31 -4.92 105.19 100.25 3dw3 n GLY 241 Ca 0.04 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.52 3dw3 n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dw3 h LYS 242 N 0.29 0.00 -3.15 1.61 1.79 -1.45 -3.48 116.57 112.18 3dw3 h LYS 242 Ca -0.05 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 3dw3 h LYS 242 Cb 0.24 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3dw3 h LYS 242 CO 0.08 0.49 0.22 -0.08 -1.08 0.00 0.00 179.45 179.08 3dw3 s THR 243 N -3.25 0.00 0.30 -0.16 -1.32 -1.24 -5.03 115.64 104.93 3dw3 s THR 243 Ca 0.02 -1.08 0.02 0.00 -1.21 0.00 0.00 61.69 59.44 3dw3 s THR 243 Cb 0.09 -2.92 -0.05 0.00 -1.51 0.00 0.00 72.50 68.12 3dw3 s THR 243 CO 0.72 0.00 0.10 0.42 -2.21 0.00 0.00 174.62 173.66 3dw3 s THR 244 N -2.27 0.67 0.26 5.08 -4.23 -1.26 -4.45 115.64 109.44 3dw3 s THR 244 Ca 0.18 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 3dw3 s THR 244 Cb -0.04 -2.63 0.25 0.00 1.34 0.00 0.00 72.50 71.42 3dw3 s THR 244 CO 0.13 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.07 3dw3 h ALA 245 N 2.24 1.34 0.00 3.99 0.00 -1.88 0.70 119.26 125.66 3dw3 h ALA 245 Ca -0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3dw3 h ALA 245 Cb 1.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3dw3 h ALA 245 CO 0.61 0.35 -0.09 0.00 0.00 0.00 0.00 179.25 180.13 3dw3 h ALA 246 N 1.45 1.02 0.00 0.00 0.00 -1.90 -3.31 119.26 116.52 3dw3 h ALA 246 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3dw3 h ALA 246 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dw3 h ALA 246 CO -0.19 0.11 -0.07 -1.13 0.00 0.00 0.00 179.25 177.97 3dw3 n SER 247 N -3.22 0.92 -0.32 0.00 3.41 -0.94 -4.81 113.62 108.66 3dw3 n SER 247 Ca 0.00 -1.69 -0.03 0.00 -0.26 0.00 0.00 58.87 56.89 3dw3 n SER 247 Cb 0.36 -0.07 0.12 0.00 -0.26 0.00 0.00 64.21 64.35 3dw3 n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dw3 h ALA 248 N 0.00 1.24 -0.29 7.33 0.00 -0.96 0.59 119.26 127.18 3dw3 h ALA 248 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dw3 h ALA 248 Cb 0.89 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dw3 h ALA 248 CO 0.00 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.04 3dw3 h ARG 250 N 0.34 0.66 -0.47 0.00 2.43 -1.83 -0.85 114.38 114.66 3dw3 h ARG 250 Ca 0.10 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3dw3 h ARG 250 Cb 0.08 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3dw3 h ARG 250 CO -0.02 0.44 0.18 -0.92 -1.51 0.00 0.00 179.97 178.14 3dw3 h TYR 251 N 0.68 0.71 -0.44 2.20 3.20 -0.61 0.91 116.97 123.63 3dw3 h TYR 251 Ca 0.19 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3dw3 h TYR 251 Cb -0.06 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 3dw3 h TYR 251 CO -0.04 0.61 0.27 0.82 -1.64 0.00 0.00 178.16 178.17 3dw3 h ILE 252 N 0.61 1.13 -0.62 1.81 2.04 -0.66 -1.22 117.51 120.60 3dw3 h ILE 252 Ca 0.15 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3dw3 h ILE 252 Cb 0.20 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3dw3 h ILE 252 CO -0.01 0.13 0.36 0.00 0.00 0.00 0.00 178.15 178.64 3dw3 h ALA 253 N 1.13 0.79 0.00 1.87 0.00 -0.89 -1.08 119.26 121.08 3dw3 h ALA 253 Ca 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3dw3 h ALA 253 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3dw3 h ALA 253 CO -0.03 0.28 -0.30 -0.44 0.00 0.00 0.00 179.25 178.76 3dw3 h ASP 254 N 0.84 0.00 -0.24 0.00 3.32 -0.48 -2.96 116.42 116.90 3dw3 h ASP 254 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3dw3 h ASP 254 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3dw3 h ASP 254 CO -0.04 0.30 0.00 0.35 -1.72 0.00 0.00 179.24 178.13 3dw3 n THR 255 N -3.58 0.32 -1.26 0.35 -2.24 -0.49 -5.01 114.28 102.38 3dw3 n THR 255 Ca -0.01 -0.66 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 3dw3 n THR 255 Cb 0.43 1.14 0.10 0.00 -2.10 0.00 0.00 70.33 69.91 3dw3 n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dw3 s ALA 256 N -1.54 2.11 0.07 6.98 0.00 -0.43 -4.65 121.76 124.30 3dw3 s ALA 256 Ca 0.32 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 3dw3 s ALA 256 Cb 0.20 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 3dw3 s ALA 256 CO 0.28 -1.90 1.47 -0.80 0.00 0.00 0.00 175.76 174.81 3dw3 s ASN 257 N -2.88 6.76 -0.11 0.00 0.02 -0.39 -4.83 114.94 113.50 3dw3 s ASN 257 Ca 0.65 2.32 -0.00 0.00 -1.02 0.00 0.00 52.86 54.82 3dw3 s ASN 257 Cb -0.21 -2.57 -0.02 0.00 0.02 0.00 0.00 41.25 38.47 3dw3 s ASN 257 CO 0.52 -0.74 -0.10 -0.54 0.02 0.00 0.00 177.10 176.25 3dw3 s LYS 258 N 1.87 3.21 -0.50 -0.60 1.02 -1.26 -0.95 119.74 122.53 3dw3 s LYS 258 Ca 0.67 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.03 3dw3 s LYS 258 Cb -0.36 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 3dw3 s LYS 258 CO 0.30 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.49 3dw3 n GLY 259 N 3.13 0.73 0.00 -3.33 0.00 -0.15 -4.91 105.19 100.66 3dw3 n GLY 259 Ca -0.18 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.44 3dw3 n GLY 259 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dw3 n ASP 260 N 0.51 0.79 -4.85 1.61 8.00 -1.26 -4.95 116.55 116.41 3dw3 n ASP 260 Ca -0.05 -0.75 -0.35 0.00 0.71 0.00 0.00 54.79 54.36 3dw3 n ASP 260 Cb 0.21 1.07 -0.06 0.00 -0.02 0.00 0.00 41.12 42.32 3dw3 n ASP 260 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dw3 s LEU 261 N -3.28 4.30 0.24 0.64 1.43 -1.26 -4.89 118.68 115.86 3dw3 s LEU 261 Ca 0.06 1.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.27 3dw3 s LEU 261 Cb 0.16 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 3dw3 s LEU 261 CO 0.86 0.06 0.30 -0.94 0.23 0.00 0.00 176.35 176.86 3dw3 s SER 262 N -1.85 6.03 -1.44 2.29 1.04 0.31 -4.53 113.70 115.54 3dw3 s SER 262 Ca 0.40 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 3dw3 s SER 262 Cb -0.14 -1.70 0.03 0.00 0.10 0.00 0.00 66.02 64.32 3dw3 s SER 262 CO 0.19 -0.06 0.59 -3.20 0.98 0.00 0.00 173.24 171.75 3dw3 n ASN 263 N -1.32 -5.13 -4.60 7.02 5.15 -1.26 -1.10 115.26 114.01 3dw3 n ASN 263 Ca -0.09 -0.35 -0.42 0.00 -0.60 0.00 0.00 54.58 53.13 3dw3 n ASN 263 Cb 0.57 -4.17 -0.05 0.00 -0.53 0.00 0.00 39.78 35.60 3dw3 n ASN 263 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3dw3 s ILE 264 N -3.09 4.78 0.51 -1.44 -1.09 -1.26 -4.68 121.20 114.94 3dw3 s ILE 264 Ca 0.36 1.03 -0.23 0.00 -2.23 0.00 0.00 60.65 59.58 3dw3 s ILE 264 Cb -0.17 -4.16 -0.06 0.00 -1.58 0.00 0.00 42.46 36.49 3dw3 s ILE 264 CO 0.45 -0.31 1.36 -2.84 -1.23 0.00 0.00 174.94 172.36 3dw3 s PRO 265 N 2.98 3.33 -0.02 2.79 0.02 -1.26 -4.89 135.00 137.95 3dw3 s PRO 265 Ca 0.31 2.24 -0.38 0.00 0.02 0.00 0.00 61.00 63.20 3dw3 s PRO 265 Cb -0.14 -2.37 -0.16 0.00 0.02 0.00 0.00 34.50 31.85 3dw3 s PRO 265 CO 0.14 -1.04 1.47 0.34 -0.33 0.00 0.00 177.00 177.58 3dw3 n PHE 266 N -0.77 1.70 -0.05 6.54 7.35 -1.26 -1.64 117.46 129.33 3dw3 n PHE 266 Ca 0.09 0.59 0.00 0.00 -0.76 0.00 0.00 57.45 57.37 3dw3 n PHE 266 Cb 0.44 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.89 3dw3 n PHE 266 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dw3 n GLY 267 N 3.06 0.44 3.80 7.13 0.00 -1.26 -5.02 105.19 113.35 3dw3 n GLY 267 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3dw3 n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dw3 s THR 268 N -2.17 5.01 0.37 2.61 2.01 -0.65 -3.94 115.64 118.88 3dw3 s THR 268 Ca 0.00 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 3dw3 s THR 268 Cb 0.00 -3.16 -0.11 0.00 0.01 0.00 0.00 72.50 69.24 3dw3 s THR 268 CO 0.00 0.60 1.47 1.33 -0.69 0.00 0.00 174.62 177.33 3dw3 n VAL 269 N 2.01 1.96 -3.44 3.82 0.24 -1.26 -4.84 118.33 116.81 3dw3 n VAL 269 Ca -0.19 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.24 3dw3 n VAL 269 Cb 0.54 -1.92 -0.04 0.00 -1.47 0.00 0.00 33.84 30.95 3dw3 n VAL 269 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3dw3 n ASN 270 N 0.56 4.82 -3.79 -1.34 4.05 -1.26 -4.92 115.26 113.37 3dw3 n ASN 270 Ca 0.02 -3.21 -0.18 0.00 0.45 0.00 0.00 54.58 51.65 3dw3 n ASN 270 Cb 0.38 -1.10 -0.17 0.00 1.23 0.00 0.00 39.78 40.13 3dw3 n ASN 270 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3dw3 s LEU 271 N -1.79 0.94 -0.15 1.20 1.43 -1.26 -0.98 118.68 118.07 3dw3 s LEU 271 Ca 0.31 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3dw3 s LEU 271 Cb -0.02 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 45.95 3dw3 s LEU 271 CO -0.06 -0.13 -0.20 -0.22 0.23 0.00 0.00 176.35 175.97 3dw3 s LEU 272 N 1.33 2.24 0.17 1.79 2.96 -0.13 -1.00 118.68 126.04 3dw3 s LEU 272 Ca -0.05 -0.56 -0.33 0.00 -0.22 0.00 0.00 54.13 52.97 3dw3 s LEU 272 Cb -0.13 -1.49 -0.15 0.00 0.50 0.00 0.00 46.19 44.92 3dw3 s LEU 272 CO -0.02 0.08 1.31 0.00 -1.32 0.00 0.00 176.35 176.39 3dw3 n ALA 273 N 4.08 -0.05 -3.70 5.97 0.00 -0.10 -1.26 120.51 125.45 3dw3 n ALA 273 Ca -0.20 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 3dw3 n ALA 273 Cb 0.52 -2.14 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 3dw3 n ALA 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3dw3 s TYR 274 N 0.09 -0.52 -1.15 0.00 5.04 -1.26 -4.48 117.35 115.07 3dw3 s TYR 274 Ca 0.74 1.14 0.29 0.00 -2.44 0.00 0.00 57.07 56.81 3dw3 s TYR 274 Cb -0.79 0.20 1.26 0.00 0.35 0.00 0.00 41.96 42.98 3dw3 s TYR 274 CO 0.49 -0.31 1.92 0.27 -1.34 0.00 0.00 175.55 176.58 3dw3 n ASN 275 N 4.25 0.06 -3.09 4.32 2.04 0.74 -4.67 115.26 118.91 3dw3 n ASN 275 Ca -0.24 0.21 -0.19 0.00 -0.44 0.00 0.00 54.58 53.93 3dw3 n ASN 275 Cb 0.55 -0.37 -0.01 0.00 -2.53 0.00 0.00 39.78 37.42 3dw3 n ASN 275 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3dw3 n ASN 276 N -1.41 -3.48 -4.69 0.53 3.02 -1.26 -4.91 115.26 103.06 3dw3 n ASN 276 Ca 0.09 -0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 3dw3 n ASN 276 Cb 0.31 -2.92 -0.03 0.00 -0.61 0.00 0.00 39.78 36.53 3dw3 n ASN 276 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3dw3 s TYR 277 N -2.78 3.52 -0.35 3.10 5.04 -1.26 -5.02 117.35 119.60 3dw3 s TYR 277 Ca 0.27 1.45 -0.06 0.00 -2.44 0.00 0.00 57.07 56.29 3dw3 s TYR 277 Cb -0.15 -3.06 0.05 0.00 0.35 0.00 0.00 41.96 39.15 3dw3 s TYR 277 CO 0.34 -0.14 0.12 -0.65 -1.34 0.00 0.00 175.55 173.87 3dw3 s GLN 278 N 1.70 2.59 0.00 4.97 1.11 -1.26 -5.00 119.66 123.77 3dw3 s GLN 278 Ca 0.44 -1.23 0.00 0.00 0.01 0.00 0.00 55.36 54.58 3dw3 s GLN 278 Cb -0.18 -3.48 0.00 0.00 -1.01 0.00 0.00 33.01 28.34 3dw3 s GLN 278 CO 0.18 -0.70 0.41 0.00 0.01 0.00 0.00 175.29 175.18