#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwa s TRP 2 N 0.00 -0.63 0.32 -1.84 -0.00 -1.26 -5.04 118.94 110.49 3dwa s TRP 2 Ca 0.00 1.46 0.08 0.00 -0.00 0.00 0.00 56.10 57.64 3dwa s TRP 2 Cb 0.00 0.25 0.91 0.00 -0.00 0.00 0.00 33.47 34.63 3dwa s TRP 2 CO 0.00 -0.31 1.51 2.41 -0.00 0.00 0.00 176.95 180.55 3dwa n THR 3 N 3.15 -0.40 -0.13 5.86 -1.04 -1.26 -1.66 114.28 118.80 3dwa n THR 3 Ca -0.16 2.06 0.05 0.00 -2.04 0.00 0.00 64.05 63.96 3dwa n THR 3 Cb 0.56 -3.11 0.26 0.00 -1.82 0.00 0.00 70.33 66.23 3dwa n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dwa n GLY 4 N -1.41 2.28 3.52 3.41 0.00 -1.26 -4.69 105.19 107.03 3dwa n GLY 4 Ca 0.27 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3dwa n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dwa n ASP 5 N 0.50 -0.51 -4.58 1.61 8.00 -0.67 -4.63 116.55 116.28 3dwa n ASP 5 Ca 0.18 0.70 -0.43 0.00 0.71 0.00 0.00 54.79 55.95 3dwa n ASP 5 Cb 0.80 -1.26 -0.00 0.00 -0.02 0.00 0.00 41.12 40.63 3dwa n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwa s ALA 6 N -1.73 3.28 0.10 2.24 0.00 -1.26 -3.72 121.76 120.67 3dwa s ALA 6 Ca 0.70 -2.88 -0.12 0.00 0.00 0.00 0.00 51.96 49.67 3dwa s ALA 6 Cb -0.40 -4.64 0.01 0.00 0.00 0.00 0.00 23.12 18.10 3dwa s ALA 6 CO 0.53 -3.32 0.27 1.03 0.00 0.00 0.00 175.76 174.27 3dwa s ARG 7 N 4.25 0.92 0.29 0.00 0.52 -1.19 -4.17 118.95 119.57 3dwa s ARG 7 Ca 0.53 -0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 3dwa s ARG 7 Cb 0.04 0.39 -0.11 0.00 0.52 0.00 0.00 34.95 35.79 3dwa s ARG 7 CO 0.07 -0.32 1.49 -0.51 0.02 0.00 0.00 175.30 176.05 3dwa s ASP 8 N -2.77 6.52 0.00 0.23 1.01 -1.26 -2.01 116.67 118.39 3dwa s ASP 8 Ca 0.03 2.82 0.00 0.00 0.71 0.00 0.00 52.55 56.11 3dwa s ASP 8 Cb 0.03 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3dwa s ASP 8 CO -0.11 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.10 3dwa n GLY 9 N 1.82 3.03 3.26 0.21 0.00 0.02 -4.46 105.19 109.07 3dwa n GLY 9 Ca 0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3dwa n GLY 9 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dwa s PHE 11 N 0.23 -0.61 0.07 1.61 0.08 0.36 -1.46 117.98 118.27 3dwa s PHE 11 Ca 0.00 1.29 0.03 0.00 0.12 0.00 0.00 56.93 58.36 3dwa s PHE 11 Cb 0.00 0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.67 3dwa s PHE 11 CO 0.00 -0.35 0.07 -1.12 -0.10 0.00 0.00 175.22 173.72 3dwa s SER 12 N 1.53 5.51 -0.75 1.36 0.01 -1.26 -0.49 113.70 119.62 3dwa s SER 12 Ca -0.09 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.17 3dwa s SER 12 Cb -0.09 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.66 3dwa s SER 12 CO -0.13 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.32 3dwa n GLY 13 N 0.52 0.04 3.71 3.44 0.00 -0.94 -4.77 105.19 107.20 3dwa n GLY 13 Ca -0.09 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 3dwa n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwa s VAL 14 N -2.43 5.21 -0.10 1.61 1.01 -0.50 -4.35 120.40 120.85 3dwa s VAL 14 Ca 0.00 0.85 -0.24 0.00 0.00 0.00 0.00 61.98 62.60 3dwa s VAL 14 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3dwa s VAL 14 CO 0.00 0.32 0.72 -0.69 0.00 0.00 0.00 175.10 175.45 3dwa s VAL 15 N 0.72 5.01 -0.46 2.92 1.01 -1.03 -0.80 120.40 127.77 3dwa s VAL 15 Ca 0.23 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 3dwa s VAL 15 Cb -0.15 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.21 3dwa s VAL 15 CO 0.09 0.19 1.09 -0.63 0.00 0.00 0.00 175.10 175.83 3dwa s ILE 16 N 1.21 4.28 -0.37 2.22 1.01 -1.26 -2.94 121.20 125.36 3dwa s ILE 16 Ca 0.37 1.16 0.08 0.00 0.00 0.00 0.00 60.65 62.26 3dwa s ILE 16 Cb -0.17 -4.56 -0.09 0.00 0.01 0.00 0.00 42.46 37.65 3dwa s ILE 16 CO 0.16 -0.94 0.33 0.35 0.00 0.00 0.00 174.94 174.85 3dwa n THR 17 N 6.69 0.00 -4.05 2.92 -2.24 0.30 -4.56 114.28 113.34 3dwa n THR 17 Ca 0.11 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 3dwa n THR 17 Cb 0.49 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 3dwa n THR 17 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dwa s GLN 18 N -1.75 0.50 -0.16 -0.78 -0.21 -0.98 -5.00 119.66 111.28 3dwa s GLN 18 Ca 0.03 -0.80 -0.10 0.00 0.02 0.00 0.00 55.36 54.51 3dwa s GLN 18 Cb 0.06 -0.13 0.05 0.00 1.00 0.00 0.00 33.01 33.99 3dwa s GLN 18 CO 0.32 0.00 0.39 0.12 -2.12 0.00 0.00 175.29 174.01 3dwa s PHE 19 N -1.77 -0.55 -0.00 0.91 5.36 -1.26 -2.00 117.98 118.67 3dwa s PHE 19 Ca -0.09 1.20 0.01 0.00 -0.96 0.00 0.00 56.93 57.09 3dwa s PHE 19 Cb -0.07 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 3dwa s PHE 19 CO -0.01 -0.31 -0.02 -1.58 -1.46 0.00 0.00 175.22 171.84 3dwa s HIS 20 N 1.14 0.23 0.03 10.12 5.65 -0.50 -5.00 115.29 126.95 3dwa s HIS 20 Ca -0.07 -0.04 0.06 0.00 0.25 0.00 0.00 55.06 55.26 3dwa s HIS 20 Cb -0.07 -0.17 -0.02 0.00 -1.18 0.00 0.00 32.58 31.14 3dwa s HIS 20 CO -0.10 -0.01 -0.18 0.95 -0.65 0.00 0.00 174.74 174.75 3dwa s THR 21 N 0.03 1.44 0.00 0.89 -4.23 -1.26 -0.11 115.64 112.40 3dwa s THR 21 Ca 0.00 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 3dwa s THR 21 Cb -0.02 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.56 3dwa s THR 21 CO -0.00 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 3dwa n GLY 22 N 1.98 2.69 3.00 3.99 0.00 -0.55 -5.01 105.19 111.29 3dwa n GLY 22 Ca -0.17 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 3dwa n GLY 22 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dwa s GLN 23 N -0.17 0.42 -0.05 1.61 0.74 -1.26 -1.37 119.66 119.58 3dwa s GLN 23 Ca 0.00 -0.45 -0.03 0.00 0.05 0.00 0.00 55.36 54.94 3dwa s GLN 23 Cb 0.00 -0.27 0.03 0.00 1.10 0.00 0.00 33.01 33.87 3dwa s GLN 23 CO 0.00 0.06 0.12 -1.50 -0.55 0.00 0.00 175.29 173.42 3dwa s ILE 24 N -0.76 -0.04 -1.37 -2.34 2.07 -0.58 -4.94 121.20 113.24 3dwa s ILE 24 Ca -0.05 0.14 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 3dwa s ILE 24 Cb -0.06 -0.20 0.02 0.00 0.13 0.00 0.00 42.46 42.35 3dwa s ILE 24 CO -0.00 0.06 0.70 0.47 -1.91 0.00 0.00 174.94 174.26 3dwa n ASP 25 N 3.93 -1.70 -1.10 4.50 8.00 -1.26 -1.81 116.55 127.11 3dwa n ASP 25 Ca -0.23 -0.85 -0.14 0.00 0.71 0.00 0.00 54.79 54.28 3dwa n ASP 25 Cb 0.53 -3.83 -0.06 0.00 -0.02 0.00 0.00 41.12 37.74 3dwa n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3dwa n ASN 26 N -3.00 -4.79 -4.00 -2.24 5.15 -1.26 -5.00 115.26 100.12 3dwa n ASN 26 Ca -0.23 0.35 -0.24 0.00 -0.60 0.00 0.00 54.58 53.86 3dwa n ASN 26 Cb 0.65 -3.55 -0.17 0.00 -0.53 0.00 0.00 39.78 36.18 3dwa n ASN 26 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dwa s LYS 27 N -3.19 1.57 0.61 1.20 -0.14 -0.75 -5.13 119.74 113.90 3dwa s LYS 27 Ca 0.00 -0.37 -0.17 0.00 -1.36 0.00 0.00 55.97 54.07 3dwa s LYS 27 Cb 0.00 -1.33 -0.03 0.00 -1.68 0.00 0.00 37.83 34.79 3dwa s LYS 27 CO 0.00 0.00 1.13 -1.25 -0.76 0.00 0.00 175.35 174.48 3dwa s PRO 28 N 0.73 3.02 0.05 -1.68 0.04 -1.26 -1.52 135.00 134.38 3dwa s PRO 28 Ca -0.13 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 3dwa s PRO 28 Cb -0.15 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3dwa s PRO 28 CO 0.03 -1.11 0.00 1.52 0.04 0.00 0.00 177.00 177.48 3dwa s TYR 29 N -1.99 0.43 0.15 0.56 -0.85 -0.47 -1.55 117.35 113.62 3dwa s TYR 29 Ca 0.71 -0.92 0.04 0.00 -0.52 0.00 0.00 57.07 56.38 3dwa s TYR 29 Cb -0.24 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 41.75 3dwa s TYR 29 CO 0.34 -0.38 -0.08 -0.59 -1.52 0.00 0.00 175.55 173.33 3dwa s PHE 30 N -3.55 1.20 0.02 -3.49 -0.12 -0.42 -1.49 117.98 110.13 3dwa s PHE 30 Ca 0.03 -0.83 0.01 0.00 -0.05 0.00 0.00 56.93 56.10 3dwa s PHE 30 Cb 0.05 -0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 41.78 3dwa s PHE 30 CO -0.09 -0.01 -0.06 0.00 -0.05 0.00 0.00 175.22 175.02 3dwa s ILE 32 N -1.00 1.54 0.01 0.00 -4.36 -0.65 -1.42 121.20 115.32 3dwa s ILE 32 Ca -0.08 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 3dwa s ILE 32 Cb -0.07 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 41.94 3dwa s ILE 32 CO -0.00 -0.39 -0.04 -0.70 0.24 0.00 0.00 174.94 174.05 3dwa s GLU 33 N -2.78 0.34 0.17 0.37 -6.30 -0.85 -2.37 118.70 107.28 3dwa s GLU 33 Ca 0.12 -0.27 -0.13 0.00 -2.50 0.00 0.00 54.97 52.19 3dwa s GLU 33 Cb -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 34.13 33.83 3dwa s GLU 33 CO 0.04 0.07 0.40 0.20 0.02 0.00 0.00 175.26 175.99 3dwa s GLY 34 N -0.42 0.14 0.01 -1.50 0.00 -0.79 -0.54 107.32 104.21 3dwa s GLY 34 Ca -0.02 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.28 3dwa s GLY 34 CO -0.00 -0.53 -0.24 0.54 0.00 0.00 0.00 173.10 172.88 3dwa s LYS 35 N -3.91 1.79 1.17 2.90 1.02 -1.15 -1.72 119.74 119.84 3dwa s LYS 35 Ca 0.12 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 55.01 3dwa s LYS 35 Cb 0.01 -1.81 0.27 0.00 -0.52 0.00 0.00 37.83 35.79 3dwa s LYS 35 CO -0.03 0.48 1.11 -0.65 -0.92 0.00 0.00 175.35 175.35 3dwa s GLN 36 N -0.81 -0.99 0.32 1.68 -0.21 -0.85 -2.45 119.66 116.36 3dwa s GLN 36 Ca 0.09 -0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.47 3dwa s GLN 36 Cb -0.09 -1.62 0.56 0.00 1.00 0.00 0.00 33.01 32.86 3dwa s GLN 36 CO 0.00 -3.57 1.94 0.77 -2.12 0.00 0.00 175.29 172.32 3dwa h SER 37 N -2.48 0.85 0.07 5.90 0.02 -1.92 -2.80 113.55 113.20 3dwa h SER 37 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3dwa h SER 37 Cb 1.30 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3dwa h SER 37 CO 0.37 0.57 0.00 0.00 -1.14 0.00 0.00 176.83 176.63 3dwa n ALA 38 N -2.41 1.55 -0.73 3.77 0.00 -1.26 -4.81 120.51 116.62 3dwa n ALA 38 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3dwa n ALA 38 Cb 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3dwa n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwa n GLY 39 N -0.74 0.88 3.60 0.00 0.00 -1.05 -4.97 105.19 102.90 3dwa n GLY 39 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3dwa n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dwa s SER 40 N -2.78 5.64 0.15 1.61 0.01 -1.26 -4.81 113.70 112.25 3dwa s SER 40 Ca 0.00 1.75 -0.23 0.00 1.31 0.00 0.00 55.95 58.78 3dwa s SER 40 Cb 0.00 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.64 3dwa s SER 40 CO 0.00 -1.84 0.73 -0.55 0.41 0.00 0.00 173.24 171.99 3dwa s SER 41 N 7.44 7.28 -0.02 2.44 0.15 -1.26 -2.00 113.70 127.73 3dwa s SER 41 Ca 0.94 1.54 0.01 0.00 0.70 0.00 0.00 55.95 59.13 3dwa s SER 41 Cb -0.30 -2.46 0.01 0.00 -1.71 0.00 0.00 66.02 61.56 3dwa s SER 41 CO 0.35 0.20 -0.03 -0.51 1.20 0.00 0.00 173.24 174.45 3dwa s ILE 42 N -1.19 0.31 0.10 6.45 -1.16 -0.70 -5.00 121.20 120.01 3dwa s ILE 42 Ca 0.35 -0.08 0.09 0.00 -0.51 0.00 0.00 60.65 60.50 3dwa s ILE 42 Cb -0.21 -0.32 -0.04 0.00 0.61 0.00 0.00 42.46 42.49 3dwa s ILE 42 CO 0.24 0.13 -0.20 -0.44 -2.81 0.00 0.00 174.94 171.87 3dwa s SER 43 N 0.46 3.76 -0.03 4.50 0.01 -1.26 -1.89 113.70 119.25 3dwa s SER 43 Ca -0.05 -0.56 -0.23 0.00 1.31 0.00 0.00 55.95 56.42 3dwa s SER 43 Cb -0.08 -0.50 0.05 0.00 0.21 0.00 0.00 66.02 65.69 3dwa s SER 43 CO -0.01 0.20 0.50 0.00 0.41 0.00 0.00 173.24 174.34 3dwa s ALA 44 N -1.07 -1.28 0.08 1.44 0.00 -1.00 -4.69 121.76 115.24 3dwa s ALA 44 Ca 0.16 0.82 0.08 0.00 0.00 0.00 0.00 51.96 53.03 3dwa s ALA 44 Cb -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3dwa s ALA 44 CO 0.08 -0.32 -0.22 0.00 0.00 0.00 0.00 175.76 175.31 3dwa n SER 46 N 1.35 2.03 -4.14 0.00 2.88 -0.17 -0.53 113.62 115.05 3dwa n SER 46 Ca -0.18 -1.67 -0.31 0.00 -1.33 0.00 0.00 58.87 55.37 3dwa n SER 46 Cb 0.53 0.17 -0.17 0.00 -0.75 0.00 0.00 64.21 63.99 3dwa n SER 46 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3dwa s LYS 48 N -2.53 2.74 -1.51 -1.46 2.20 -0.59 -1.30 119.74 117.27 3dwa s LYS 48 Ca 0.02 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 3dwa s LYS 48 Cb 0.00 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 3dwa s LYS 48 CO 0.01 0.01 0.00 0.09 -0.36 0.00 0.00 175.35 175.10 3dwa n ASN 49 N 4.01 -4.72 -3.50 1.43 5.03 -1.22 -4.75 115.26 111.54 3dwa n ASN 49 Ca -0.20 0.33 -0.31 0.00 0.87 0.00 0.00 54.58 55.28 3dwa n ASN 49 Cb 0.52 -3.53 0.27 0.00 -1.02 0.00 0.00 39.78 36.02 3dwa n ASN 49 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3dwa s SER 50 N -2.81 -0.48 0.00 6.41 1.04 -1.26 -4.87 113.70 111.73 3dwa s SER 50 Ca 0.00 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3dwa s SER 50 Cb 0.00 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.13 3dwa s SER 50 CO 0.00 -4.99 0.74 -0.24 0.98 0.00 0.00 173.24 169.72 3dwa n SER 51 N -5.36 0.00 -0.07 7.02 2.88 -1.26 -3.86 113.62 112.97 3dwa n SER 51 Ca 0.14 0.85 -0.20 0.00 -1.33 0.00 0.00 58.87 58.33 3dwa n SER 51 Cb 0.60 -0.47 -0.13 0.00 -0.75 0.00 0.00 64.21 63.46 3dwa n SER 51 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3dwa h VAL 52 N 0.00 1.18 -0.40 2.46 2.07 -2.02 -3.41 116.25 116.14 3dwa h VAL 52 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3dwa h VAL 52 Cb 0.00 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3dwa h VAL 52 CO 0.00 0.49 0.00 0.79 0.02 0.00 0.00 177.57 178.87 3dwa n TRP 53 N -4.35 0.67 0.28 1.57 8.01 -1.26 -4.63 117.44 117.73 3dwa n TRP 53 Ca -0.24 -0.57 0.16 0.00 -1.31 0.00 0.00 57.50 55.55 3dwa n TRP 53 Cb 0.68 -0.08 0.72 0.00 -2.01 0.00 0.00 31.31 30.62 3dwa n TRP 53 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 3dwa h GLY 54 N 2.38 0.00 2.00 6.99 0.00 -1.79 -2.95 103.07 109.70 3dwa h GLY 54 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dwa h GLY 54 CO 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.57 3dwa h ALA 55 N 1.95 1.08 -0.00 3.60 0.00 -1.84 -2.62 119.26 121.43 3dwa h ALA 55 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dwa h ALA 55 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dwa h ALA 55 CO 0.01 0.03 -0.73 0.43 0.00 0.00 0.00 179.25 178.99 3dwa n SER 56 N -3.23 1.19 -0.33 0.00 7.64 -1.11 -4.60 113.62 113.18 3dwa n SER 56 Ca -0.02 -1.01 0.10 0.00 1.01 0.00 0.00 58.87 58.95 3dwa n SER 56 Cb 0.18 0.68 0.21 0.00 -1.01 0.00 0.00 64.21 64.26 3dwa n SER 56 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3dwa h PHE 57 N 0.73 -0.24 -0.08 1.43 3.57 -1.58 -1.32 116.94 119.44 3dwa h PHE 57 Ca 0.00 0.08 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 3dwa h PHE 57 Cb 0.57 0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.57 3dwa h PHE 57 CO 0.00 -0.40 -0.48 1.03 -2.23 0.00 0.00 178.31 176.23 3dwa h SER 58 N 0.02 0.56 -0.23 0.41 0.87 -1.83 -0.43 113.55 112.91 3dwa h SER 58 Ca 0.52 -0.66 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 3dwa h SER 58 Cb 0.95 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3dwa h SER 58 CO -0.92 1.13 0.06 0.74 -0.53 0.00 0.00 176.83 177.32 3dwa h THR 59 N 0.04 1.20 -0.39 2.23 2.02 -1.80 -2.78 112.91 113.43 3dwa h THR 59 Ca -0.04 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 3dwa h THR 59 Cb 1.13 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3dwa h THR 59 CO 0.10 0.21 -0.15 -0.07 0.37 0.00 0.00 175.52 175.98 3dwa h LEU 60 N 0.20 0.71 -0.02 2.58 3.38 -1.21 -0.26 115.31 120.70 3dwa h LEU 60 Ca 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dwa h LEU 60 Cb 0.26 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dwa h LEU 60 CO -0.00 0.88 0.01 0.22 0.09 0.00 0.00 178.44 179.63 3dwa h TYR 61 N 0.65 0.03 0.11 1.13 3.20 -1.08 0.36 116.97 121.37 3dwa h TYR 61 Ca 0.10 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.99 3dwa h TYR 61 Cb 0.62 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 3dwa h TYR 61 CO 0.03 0.14 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.48 3dwa h ASN 62 N -0.09 -0.86 -0.04 -2.11 2.35 -1.35 -0.61 115.58 112.86 3dwa h ASN 62 Ca 0.01 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3dwa h ASN 62 Cb 0.13 0.33 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 3dwa h ASN 62 CO -0.00 -0.39 0.01 1.56 -1.65 0.00 0.00 177.43 176.96 3dwa h GLN 63 N -0.51 0.02 -0.41 0.81 1.08 -0.94 -0.89 115.11 114.26 3dwa h GLN 63 Ca 0.03 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3dwa h GLN 63 Cb 0.55 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 3dwa h GLN 63 CO -0.18 0.01 0.27 0.00 -0.95 0.00 0.00 178.83 177.98 3dwa h ALA 64 N 1.03 0.52 -0.62 3.87 0.00 -0.18 0.22 119.26 124.10 3dwa h ALA 64 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3dwa h ALA 64 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dwa h ALA 64 CO -0.02 -0.01 0.04 1.25 0.00 0.00 0.00 179.25 180.51 3dwa h LEU 65 N 0.56 1.04 0.02 0.00 5.85 -0.98 0.60 115.31 122.39 3dwa h LEU 65 Ca 0.15 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3dwa h LEU 65 Cb -0.05 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 3dwa h LEU 65 CO -0.03 1.07 -0.38 0.22 -0.34 0.00 0.00 178.44 178.97 3dwa h TYR 66 N 0.97 -1.07 -0.36 1.25 3.20 -0.81 -1.38 116.97 118.77 3dwa h TYR 66 Ca 0.18 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3dwa h TYR 66 Cb 0.51 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3dwa h TYR 66 CO 0.04 -0.47 0.06 0.74 -1.64 0.00 0.00 178.16 176.88 3dwa h PHE 67 N -0.55 0.55 -0.87 -3.82 0.04 -0.73 -1.46 116.94 110.10 3dwa h PHE 67 Ca 0.05 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3dwa h PHE 67 Cb 0.63 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 3dwa h PHE 67 CO -0.39 0.50 0.56 -0.92 -0.60 0.00 0.00 178.31 177.46 3dwa h TYR 68 N 0.53 1.11 -0.04 -0.55 3.20 -0.79 -1.48 116.97 118.95 3dwa h TYR 68 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3dwa h TYR 68 Cb 0.25 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 3dwa h TYR 68 CO 0.01 0.72 0.01 1.15 -1.64 0.00 0.00 178.16 178.40 3dwa h THR 69 N 1.18 1.20 0.00 1.81 2.02 -0.50 -3.25 112.91 115.37 3dwa h THR 69 Ca 0.32 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 3dwa h THR 69 Cb -0.10 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3dwa h THR 69 CO -0.06 0.17 -0.50 0.71 0.37 0.00 0.00 175.52 176.20 3dwa h THR 70 N -0.17 1.10 -0.28 3.16 1.35 -1.30 -3.47 112.91 113.31 3dwa h THR 70 Ca 0.01 -1.89 -0.12 0.00 -0.55 0.00 0.00 66.41 63.86 3dwa h THR 70 Cb 0.26 2.10 -0.05 0.00 -1.73 0.00 0.00 68.15 68.73 3dwa h THR 70 CO 0.00 0.49 -0.11 0.61 -0.25 0.00 0.00 175.52 176.26 3dwa n GLY 71 N 0.41 0.78 3.80 5.82 0.00 -0.56 -5.03 105.19 110.41 3dwa n GLY 71 Ca -0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3dwa n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dwa s GLN 72 N -2.06 3.19 0.17 1.61 -2.07 -1.25 -4.87 119.66 114.39 3dwa s GLN 72 Ca 0.00 1.22 -0.29 0.00 -1.82 0.00 0.00 55.36 54.47 3dwa s GLN 72 Cb 0.00 -2.01 -0.07 0.00 -1.09 0.00 0.00 33.01 29.83 3dwa s GLN 72 CO 0.00 -0.92 0.93 -1.25 -1.32 0.00 0.00 175.29 172.73 3dwa s PRO 73 N -4.15 4.76 0.21 9.60 0.04 -1.26 -4.52 135.00 139.67 3dwa s PRO 73 Ca 0.64 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3dwa s PRO 73 Cb -0.17 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 3dwa s PRO 73 CO 0.39 0.39 0.08 0.14 0.04 0.00 0.00 177.00 178.04 3dwa s VAL 74 N -0.64 0.35 -0.18 -0.36 -7.23 0.02 -3.58 120.40 108.77 3dwa s VAL 74 Ca 0.43 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 3dwa s VAL 74 Cb -0.24 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 3dwa s VAL 74 CO 0.30 -0.14 0.27 -0.60 -0.31 0.00 0.00 175.10 174.62 3dwa s ARG 75 N -4.05 4.21 -0.24 4.82 3.52 0.13 -1.41 118.95 125.93 3dwa s ARG 75 Ca 0.34 0.01 -0.09 0.00 -0.13 0.00 0.00 55.73 55.87 3dwa s ARG 75 Cb 0.07 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 3dwa s ARG 75 CO 0.10 0.18 0.11 0.42 -0.81 0.00 0.00 175.30 175.30 3dwa s ILE 76 N 0.68 4.86 -0.16 4.11 -1.09 0.36 -2.26 121.20 127.69 3dwa s ILE 76 Ca 0.14 0.01 -0.07 0.00 -2.23 0.00 0.00 60.65 58.50 3dwa s ILE 76 Cb -0.13 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 3dwa s ILE 76 CO 0.04 0.35 0.08 -0.31 -1.23 0.00 0.00 174.94 173.86 3dwa s TYR 77 N 1.25 3.33 0.07 3.97 2.02 -0.83 -0.49 117.35 126.67 3dwa s TYR 77 Ca 0.06 0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.96 3dwa s TYR 77 Cb -0.14 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 3dwa s TYR 77 CO 0.05 0.31 -0.02 1.52 -1.57 0.00 0.00 175.55 175.84 3dwa s TYR 78 N -0.00 0.63 -0.21 2.71 -0.85 -0.53 -1.24 117.35 117.84 3dwa s TYR 78 Ca 0.07 -1.09 0.01 0.00 -0.52 0.00 0.00 57.07 55.54 3dwa s TYR 78 Cb -0.12 -0.42 0.05 0.00 0.38 0.00 0.00 41.96 41.85 3dwa s TYR 78 CO 0.01 -0.38 -0.08 -2.00 -1.52 0.00 0.00 175.55 171.57 3dwa s GLU 79 N -3.94 1.87 0.82 -3.49 2.12 -0.15 -0.80 118.70 115.13 3dwa s GLU 79 Ca 0.11 -0.91 -0.11 0.00 0.36 0.00 0.00 54.97 54.42 3dwa s GLU 79 Cb 0.08 -2.49 0.09 0.00 0.26 0.00 0.00 34.13 32.06 3dwa s GLU 79 CO -0.07 -0.50 1.12 -1.25 -0.54 0.00 0.00 175.26 174.02 3dwa s PRO 80 N 1.39 1.83 -1.04 4.30 0.04 -1.26 -1.14 135.00 139.11 3dwa s PRO 80 Ca -0.03 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3dwa s PRO 80 Cb -0.17 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3dwa s PRO 80 CO -0.07 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.38 3dwa n GLY 81 N -0.57 1.00 0.08 0.56 0.00 -1.21 -4.86 105.19 100.19 3dwa n GLY 81 Ca 0.10 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 3dwa n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dwa h VAL 82 N 0.00 1.41 -3.52 1.61 2.07 -1.06 -3.46 116.25 113.30 3dwa h VAL 82 Ca -0.21 -2.24 -0.53 0.00 0.82 0.00 0.00 66.70 64.54 3dwa h VAL 82 Cb 0.72 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 3dwa h VAL 82 CO 0.30 0.48 0.19 0.26 0.02 0.00 0.00 177.57 178.82 3dwa s TRP 83 N -2.26 3.88 0.00 1.57 0.23 -0.65 -4.98 118.94 116.73 3dwa s TRP 83 Ca -0.22 1.63 0.00 0.00 -2.03 0.00 0.00 56.10 55.47 3dwa s TRP 83 Cb 0.00 -2.80 0.00 0.00 0.03 0.00 0.00 33.47 30.71 3dwa s TRP 83 CO 0.63 0.46 0.06 0.25 0.96 0.00 0.00 176.95 179.31 3dwa n THR 84 N 1.86 0.00 -2.11 2.01 -2.24 -1.26 -4.61 114.28 107.92 3dwa n THR 84 Ca -0.05 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 3dwa n THR 84 Cb 0.49 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 3dwa n THR 84 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dwa s TYR 85 N -0.43 2.13 0.24 4.78 5.04 -1.26 -4.89 117.35 122.97 3dwa s TYR 85 Ca 0.00 0.51 -0.05 0.00 -2.44 0.00 0.00 57.07 55.09 3dwa s TYR 85 Cb 0.00 -3.93 0.36 0.00 0.35 0.00 0.00 41.96 38.74 3dwa s TYR 85 CO 0.00 -3.03 1.83 -1.35 -1.34 0.00 0.00 175.55 171.66 3dwa h PRO 86 N 10.31 0.84 -0.39 4.97 0.11 -1.99 -1.44 132.00 144.41 3dwa h PRO 86 Ca -0.34 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 3dwa h PRO 86 Cb 1.15 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3dwa h PRO 86 CO 0.99 0.55 0.14 -1.35 -0.21 0.00 0.00 178.00 178.12 3dwa h PRO 87 N 0.86 0.55 -0.04 1.05 0.11 -1.99 -1.10 132.00 131.45 3dwa h PRO 87 Ca 0.38 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 3dwa h PRO 87 Cb 0.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 3dwa h PRO 87 CO -0.21 0.47 0.01 0.35 -0.21 0.00 0.00 178.00 178.42 3dwa h PHE 88 N 0.55 0.06 -0.52 0.65 3.57 -1.69 -1.70 116.94 117.86 3dwa h PHE 88 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3dwa h PHE 88 Cb 0.14 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3dwa h PHE 88 CO 0.01 0.22 0.34 0.28 -2.23 0.00 0.00 178.31 176.92 3dwa h VAL 89 N -0.11 1.11 -0.19 1.41 2.07 -1.17 0.17 116.25 119.54 3dwa h VAL 89 Ca 0.01 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3dwa h VAL 89 Cb 0.18 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3dwa h VAL 89 CO -0.00 0.13 0.11 0.50 0.02 0.00 0.00 177.57 178.32 3dwa h LYS 90 N 0.69 0.26 0.00 1.57 3.64 -1.14 -3.08 116.57 118.50 3dwa h LYS 90 Ca 0.20 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3dwa h LYS 90 Cb -0.06 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3dwa h LYS 90 CO -0.05 0.24 -0.61 0.00 -2.27 0.00 0.00 179.45 176.75 3dwa h ALA 91 N 1.01 0.70 -3.00 5.00 0.00 -1.20 -3.46 119.26 118.31 3dwa h ALA 91 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dwa h ALA 91 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dwa h ALA 91 CO -0.01 0.76 0.00 1.28 0.00 0.00 0.00 179.25 181.28 3dwa n LEU 92 N -3.39 0.00 -3.54 0.00 4.77 0.04 -5.10 117.00 109.77 3dwa n LEU 92 Ca 0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 3dwa n LEU 92 Cb 0.72 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 3dwa n LEU 92 CO 0.41 0.00 0.69 0.28 -1.33 0.00 0.00 177.39 177.44 3dwa s THR 93 N 0.89 0.00 -0.70 -5.08 -1.32 -1.17 -4.94 115.64 103.33 3dwa s THR 93 Ca 0.00 -0.11 0.25 0.00 -1.21 0.00 0.00 61.69 60.62 3dwa s THR 93 Cb 0.00 -1.16 0.07 0.00 -1.51 0.00 0.00 72.50 69.89 3dwa s THR 93 CO 0.00 0.00 1.38 -1.54 -2.21 0.00 0.00 174.62 172.25 3dwa n SER 94 N -0.28 0.66 -4.65 8.08 3.41 -1.26 -4.42 113.62 115.16 3dwa n SER 94 Ca -0.09 0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 3dwa n SER 94 Cb 0.62 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.62 3dwa n SER 94 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3dwa s ASN 95 N -4.07 6.39 0.18 4.04 0.01 -1.26 -0.71 114.94 119.52 3dwa s ASN 95 Ca 0.07 2.47 -0.26 0.00 -0.71 0.00 0.00 52.86 54.43 3dwa s ASN 95 Cb 0.14 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 39.19 3dwa s ASN 95 CO 0.70 -1.13 0.80 0.00 -1.51 0.00 0.00 177.10 175.97 3dwa s ALA 96 N 4.78 3.43 -0.16 0.60 0.00 -0.29 -1.38 121.76 128.73 3dwa s ALA 96 Ca 0.86 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 3dwa s ALA 96 Cb -0.39 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3dwa s ALA 96 CO 0.38 0.28 0.87 -1.17 0.00 0.00 0.00 175.76 176.12 3dwa s LEU 97 N -1.19 4.18 0.00 0.00 2.96 0.31 -0.98 118.68 123.97 3dwa s LEU 97 Ca 0.37 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 3dwa s LEU 97 Cb -0.23 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3dwa s LEU 97 CO 0.27 -0.41 0.34 1.33 -1.32 0.00 0.00 176.35 176.56 3dwa n VAL 98 N 4.71 0.00 0.00 1.68 0.24 -0.37 -4.76 118.33 119.83 3dwa n VAL 98 Ca 0.05 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3dwa n VAL 98 Cb 0.49 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3dwa n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dwa n GLY 99 N 0.27 0.80 3.08 7.63 0.00 -1.17 -4.66 105.19 111.14 3dwa n GLY 99 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3dwa n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwa s LEU 100 N 0.00 1.84 0.00 0.99 1.43 -1.26 -1.96 118.68 119.72 3dwa s LEU 100 Ca 0.00 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 3dwa s LEU 100 Cb 0.00 0.50 0.01 0.00 0.03 0.00 0.00 46.19 46.72 3dwa s LEU 100 CO 0.00 -0.41 0.17 -0.44 0.23 0.00 0.00 176.35 175.90 3dwa s SER 101 N -1.74 -0.01 0.73 2.29 0.01 -0.96 -4.95 113.70 109.07 3dwa s SER 101 Ca -0.11 -0.16 -0.11 0.00 1.31 0.00 0.00 55.95 56.88 3dwa s SER 101 Cb -0.05 0.23 0.03 0.00 0.21 0.00 0.00 66.02 66.44 3dwa s SER 101 CO -0.02 -0.40 1.08 0.42 0.41 0.00 0.00 173.24 174.73 3dwa s THR 102 N -1.46 3.64 0.09 1.44 -4.23 -1.26 0.17 115.64 114.03 3dwa s THR 102 Ca -0.14 0.55 0.07 0.00 -1.18 0.00 0.00 61.69 60.99 3dwa s THR 102 Cb -0.07 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.59 3dwa s THR 102 CO 0.02 -0.67 -0.17 0.00 -0.54 0.00 0.00 174.62 173.25 3dwa n THR 104 N 1.16 1.43 -3.65 0.00 -2.24 0.41 -4.95 114.28 106.44 3dwa n THR 104 Ca -0.20 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3dwa n THR 104 Cb 0.54 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 3dwa n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dwa n THR 105 N -2.91 0.00 0.21 4.28 -2.24 -0.58 -4.99 114.28 108.05 3dwa n THR 105 Ca -0.36 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.53 3dwa n THR 105 Cb 1.11 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 69.55 3dwa n THR 105 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dwa h SER 106 N 0.00 0.00 0.00 3.42 4.64 -1.93 -3.36 113.55 116.32 3dwa h SER 106 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3dwa h SER 106 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3dwa h SER 106 CO 0.00 0.11 -1.43 0.35 -0.87 0.00 0.00 176.83 174.99 3dwa n THR 107 N -3.14 0.29 -4.13 2.95 -2.24 -1.26 -2.94 114.28 103.82 3dwa n THR 107 Ca 0.03 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 3dwa n THR 107 Cb 0.54 -0.36 -0.11 0.00 -2.10 0.00 0.00 70.33 68.30 3dwa n THR 107 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dwa s GLU 108 N -2.32 3.75 0.05 -0.78 0.41 -1.26 -4.94 118.70 113.62 3dwa s GLU 108 Ca -0.03 -0.46 -0.03 0.00 -0.41 0.00 0.00 54.97 54.04 3dwa s GLU 108 Cb 0.03 -3.10 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 3dwa s GLU 108 CO 0.30 0.15 0.04 0.00 -0.49 0.00 0.00 175.26 175.26 3dwa s PHE 110 N -3.32 3.56 0.00 0.00 5.36 -0.43 -4.91 117.98 118.24 3dwa s PHE 110 Ca 0.01 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 3dwa s PHE 110 Cb 0.03 -3.28 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 3dwa s PHE 110 CO -0.08 -0.66 0.00 0.41 -1.46 0.00 0.00 175.22 173.43 3dwa n GLY 111 N 2.81 1.44 3.76 13.12 0.00 -1.26 -4.62 105.19 120.44 3dwa n GLY 111 Ca 0.06 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 3dwa n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwa s PRO 112 N -1.24 1.96 0.02 1.61 0.04 -1.26 -5.04 135.00 131.09 3dwa s PRO 112 Ca 0.00 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 61.87 3dwa s PRO 112 Cb 0.00 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 3dwa s PRO 112 CO 0.00 -1.81 0.56 -0.51 0.04 0.00 0.00 177.00 175.28 3dwa s ASP 113 N -3.44 6.98 -0.47 6.66 1.01 -1.26 -4.95 116.67 121.19 3dwa s ASP 113 Ca 0.62 1.16 -0.02 0.00 0.71 0.00 0.00 52.55 55.02 3dwa s ASP 113 Cb -0.17 -2.35 0.12 0.00 1.01 0.00 0.00 42.92 41.54 3dwa s ASP 113 CO 0.56 0.19 0.26 -0.60 0.21 0.00 0.00 175.17 175.78 3dwa s ARG 114 N -0.59 2.09 -0.19 8.23 3.52 -1.26 -4.62 118.95 126.13 3dwa s ARG 114 Ca 0.29 -2.08 -0.22 0.00 -0.13 0.00 0.00 55.73 53.59 3dwa s ARG 114 Cb -0.18 -3.56 0.06 0.00 -1.56 0.00 0.00 34.95 29.70 3dwa s ARG 114 CO 0.17 -1.09 0.61 -1.59 -0.81 0.00 0.00 175.30 172.59 3dwa s LYS 115 N 0.68 0.77 0.13 5.12 -2.85 -0.85 -4.30 119.74 118.43 3dwa s LYS 115 Ca 0.12 0.69 -0.35 0.00 -1.00 0.00 0.00 55.97 55.43 3dwa s LYS 115 Cb -0.22 0.37 -0.16 0.00 -2.06 0.00 0.00 37.83 35.76 3dwa s LYS 115 CO -0.04 -0.13 1.33 1.63 0.10 0.00 0.00 175.35 178.24 3dwa n LYS 116 N 2.36 1.36 -1.45 1.78 5.02 -1.23 -3.14 118.16 122.87 3dwa n LYS 116 Ca -0.15 0.49 -0.62 0.00 -2.02 0.00 0.00 58.31 56.01 3dwa n LYS 116 Cb 0.56 -2.12 -0.11 0.00 -0.02 0.00 0.00 35.03 33.35 3dwa n LYS 116 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dwa n ASN 117 N 2.50 1.09 0.00 4.39 5.03 -1.26 -4.91 115.26 122.10 3dwa n ASN 117 Ca 0.17 0.84 0.00 0.00 0.87 0.00 0.00 54.58 56.46 3dwa n ASN 117 Cb 0.23 -0.93 0.00 0.00 -1.02 0.00 0.00 39.78 38.05 3dwa n ASN 117 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89