#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 -0.65 0.31 -1.84 -0.00 -1.26 -5.01 118.94 110.48 3dwa s TRP 2 Ca 0.00 1.48 0.11 0.00 -0.00 0.00 0.00 56.10 57.70 3dwa s TRP 2 Cb 0.00 0.28 0.98 0.00 -0.00 0.00 0.00 33.47 34.73 3dwa s TRP 2 CO 0.00 -0.33 1.41 2.41 -0.00 0.00 0.00 176.95 180.44 3dwa n THR 3 N 3.38 -0.38 0.91 5.86 -1.04 -1.26 -1.15 114.28 120.61 3dwa n THR 3 Ca -0.17 1.89 0.05 0.00 -2.04 0.00 0.00 64.05 63.78 3dwa n THR 3 Cb 0.56 -2.93 0.15 0.00 -1.82 0.00 0.00 70.33 66.30 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 -1.33 0.62 3.59 3.41 0.00 -1.26 -4.59 105.19 105.63 3dwa n GLY 4 Ca 0.28 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 0.48 1.10 -4.58 1.61 8.00 -0.30 -4.61 116.55 118.26 3dwa n ASP 5 Ca 0.11 1.07 -0.36 0.00 0.71 0.00 0.00 54.79 56.33 3dwa n ASP 5 Cb 0.29 -1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 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 -1.22 2.52 0.22 2.24 0.00 -1.26 -3.92 121.76 120.33 3dwa s ALA 6 Ca 0.61 -2.41 -0.14 0.00 0.00 0.00 0.00 51.96 50.02 3dwa s ALA 6 Cb -0.61 -4.63 0.01 0.00 0.00 0.00 0.00 23.12 17.88 3dwa s ALA 6 CO 0.58 -4.20 0.47 1.03 0.00 0.00 0.00 175.76 173.64 3dwa s ARG 7 N 5.43 1.44 0.16 0.00 0.52 -1.15 -4.30 118.95 121.05 3dwa s ARG 7 Ca 0.60 -1.11 -0.31 0.00 -0.52 0.00 0.00 55.73 54.39 3dwa s ARG 7 Cb 0.01 0.48 -0.09 0.00 0.52 0.00 0.00 34.95 35.86 3dwa s ARG 7 CO 0.07 -0.60 1.47 -0.51 0.02 0.00 0.00 175.30 175.75 3dwa s ASP 8 N -2.96 6.69 0.00 0.23 1.01 -1.26 -2.15 116.67 118.24 3dwa s ASP 8 Ca 0.17 2.52 0.00 0.00 0.71 0.00 0.00 52.55 55.94 3dwa s ASP 8 Cb -0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3dwa s ASP 8 CO 0.04 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.30 3dwa n GLY 9 N 3.33 2.85 3.29 0.21 0.00 -0.46 -4.43 105.19 109.99 3dwa n GLY 9 Ca 0.11 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.64 -0.70 0.18 1.61 0.08 -0.06 -1.84 117.98 116.61 3dwa s PHE 11 Ca 0.00 1.42 0.03 0.00 0.12 0.00 0.00 56.93 58.51 3dwa s PHE 11 Cb 0.00 0.30 -0.03 0.00 -0.57 0.00 0.00 43.02 42.72 3dwa s PHE 11 CO 0.00 -0.41 0.31 -1.12 -0.10 0.00 0.00 175.22 173.90 3dwa s SER 12 N 1.90 6.33 -1.43 1.36 0.01 -1.26 -0.98 113.70 119.62 3dwa s SER 12 Ca -0.06 0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.23 3dwa s SER 12 Cb -0.10 -1.89 0.03 0.00 0.21 0.00 0.00 66.02 64.28 3dwa s SER 12 CO -0.13 0.00 1.05 0.61 0.41 0.00 0.00 173.24 175.18 3dwa n GLY 13 N -0.88 -0.53 3.78 3.44 0.00 -0.92 -4.80 105.19 105.28 3dwa n GLY 13 Ca -0.08 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.29 4.99 -0.24 1.61 1.01 0.54 -4.23 120.40 120.79 3dwa s VAL 14 Ca 0.57 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 63.50 3dwa s VAL 14 Cb -0.26 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3dwa s VAL 14 CO 0.71 0.47 0.11 -0.69 0.00 0.00 0.00 175.10 175.70 3dwa s VAL 15 N -0.42 4.80 -0.23 2.92 1.01 -0.74 -0.26 120.40 127.48 3dwa s VAL 15 Ca 0.27 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 3dwa s VAL 15 Cb -0.17 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3dwa s VAL 15 CO 0.14 0.34 1.34 -0.63 0.00 0.00 0.00 175.10 176.30 3dwa s ILE 16 N 1.30 4.12 -0.02 2.22 1.01 -1.26 -1.14 121.20 127.44 3dwa s ILE 16 Ca 0.06 1.30 0.08 0.00 0.00 0.00 0.00 60.65 62.09 3dwa s ILE 16 Cb -0.15 -4.01 -0.12 0.00 0.01 0.00 0.00 42.46 38.20 3dwa s ILE 16 CO 0.05 -0.31 0.16 0.35 0.00 0.00 0.00 174.94 175.19 3dwa n THR 17 N 5.88 0.04 -4.04 2.92 -2.24 0.40 -4.61 114.28 112.63 3dwa n THR 17 Ca 0.15 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 3dwa n THR 17 Cb 0.46 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.51 0.47 -0.05 -0.78 -1.52 -0.93 -4.97 119.66 109.37 3dwa s GLN 18 Ca -0.03 -0.79 -0.02 0.00 -1.95 0.00 0.00 55.36 52.57 3dwa s GLN 18 Cb 0.05 -0.08 0.04 0.00 -0.22 0.00 0.00 33.01 32.80 3dwa s GLN 18 CO 0.32 -0.01 0.10 0.12 -0.25 0.00 0.00 175.29 175.57 3dwa s PHE 19 N -1.84 -0.09 0.04 0.91 5.36 -1.26 -1.30 117.98 119.81 3dwa s PHE 19 Ca -0.09 0.37 0.04 0.00 -0.96 0.00 0.00 56.93 56.30 3dwa s PHE 19 Cb -0.07 -0.19 -0.02 0.00 -0.34 0.00 0.00 43.02 42.40 3dwa s PHE 19 CO -0.02 -0.16 -0.13 -1.58 -1.46 0.00 0.00 175.22 171.88 3dwa s HIS 20 N 1.39 1.10 -0.01 10.12 5.65 -0.37 -5.00 115.29 128.17 3dwa s HIS 20 Ca -0.06 -0.36 0.01 0.00 0.25 0.00 0.00 55.06 54.90 3dwa s HIS 20 Cb -0.12 -0.65 0.00 0.00 -1.18 0.00 0.00 32.58 30.63 3dwa s HIS 20 CO -0.05 0.02 -0.04 -0.08 -0.65 0.00 0.00 174.74 173.94 3dwa s THR 21 N -0.89 0.35 0.00 0.89 -1.32 -1.26 -1.01 115.64 112.40 3dwa s THR 21 Ca -0.00 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 3dwa s THR 21 Cb -0.08 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 3dwa s THR 21 CO 0.01 0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 3dwa n GLY 22 N 3.27 3.69 2.98 6.08 0.00 -0.80 -5.01 105.19 115.40 3dwa n GLY 22 Ca -0.17 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 1.28 0.24 -0.12 1.61 0.74 -1.26 -1.44 119.66 120.72 3dwa s GLN 23 Ca 0.00 -0.30 -0.09 0.00 0.05 0.00 0.00 55.36 55.03 3dwa s GLN 23 Cb 0.00 0.09 0.04 0.00 1.10 0.00 0.00 33.01 34.24 3dwa s GLN 23 CO 0.00 -0.04 0.30 -1.50 -0.55 0.00 0.00 175.29 173.49 3dwa s ILE 24 N -0.84 -0.01 -1.36 -2.34 2.07 -0.62 -4.94 121.20 113.16 3dwa s ILE 24 Ca -0.09 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.17 3dwa s ILE 24 Cb -0.06 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.12 3dwa s ILE 24 CO -0.00 0.02 0.78 -0.67 -1.91 0.00 0.00 174.94 173.16 3dwa n ASP 25 N 3.48 -2.11 -0.86 4.50 2.03 -1.26 -1.35 116.55 120.98 3dwa n ASP 25 Ca -0.18 -0.80 -0.11 0.00 0.52 0.00 0.00 54.79 54.22 3dwa n ASP 25 Cb 0.56 -4.04 -0.05 0.00 -0.72 0.00 0.00 41.12 36.87 3dwa n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3dwa n ASN 26 N -3.01 -5.53 -4.15 1.67 5.15 -1.26 -4.99 115.26 103.15 3dwa n ASN 26 Ca -0.22 0.28 -0.33 0.00 -0.60 0.00 0.00 54.58 53.71 3dwa n ASN 26 Cb 0.64 -4.02 -0.16 0.00 -0.53 0.00 0.00 39.78 35.71 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 -2.89 3.01 0.47 1.20 3.01 -0.46 -5.11 119.74 118.98 3dwa s LYS 27 Ca 0.00 -0.84 -0.23 0.00 -1.01 0.00 0.00 55.97 53.89 3dwa s LYS 27 Cb 0.00 -2.52 -0.07 0.00 -1.01 0.00 0.00 37.83 34.23 3dwa s LYS 27 CO 0.00 -0.12 1.28 -1.25 0.51 0.00 0.00 175.35 175.77 3dwa s PRO 28 N 1.08 3.60 0.13 -1.68 0.04 -1.26 -1.58 135.00 135.33 3dwa s PRO 28 Ca -0.00 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 3dwa s PRO 28 Cb -0.14 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 3dwa s PRO 28 CO -0.08 -0.76 0.07 1.52 0.04 0.00 0.00 177.00 177.79 3dwa s TYR 29 N -1.38 0.79 0.05 0.56 -0.85 -0.52 -1.37 117.35 114.64 3dwa s TYR 29 Ca 0.64 -1.18 -0.00 0.00 -0.52 0.00 0.00 57.07 56.02 3dwa s TYR 29 Cb -0.36 -0.43 -0.04 0.00 0.38 0.00 0.00 41.96 41.52 3dwa s TYR 29 CO 0.44 -0.53 -0.04 -0.59 -1.52 0.00 0.00 175.55 173.31 3dwa s PHE 30 N -4.03 0.55 -0.01 -3.49 -0.12 -0.49 -1.91 117.98 108.47 3dwa s PHE 30 Ca 0.22 -0.91 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 3dwa s PHE 30 Cb 0.07 -0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.08 3dwa s PHE 30 CO 0.01 -0.28 -0.06 0.00 -0.05 0.00 0.00 175.22 174.84 3dwa s ILE 32 N 0.04 3.24 -0.02 0.00 -4.36 -0.60 -1.24 121.20 118.26 3dwa s ILE 32 Ca -0.00 -1.63 0.07 0.00 -0.26 0.00 0.00 60.65 58.83 3dwa s ILE 32 Cb -0.04 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.04 3dwa s ILE 32 CO -0.00 -0.11 -0.24 -0.70 0.24 0.00 0.00 174.94 174.13 3dwa s GLU 33 N -2.84 1.99 0.13 0.37 2.12 -0.42 -2.78 118.70 117.27 3dwa s GLU 33 Ca 0.25 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.75 3dwa s GLU 33 Cb -0.09 -1.91 -0.04 0.00 0.26 0.00 0.00 34.13 32.35 3dwa s GLU 33 CO 0.16 0.51 -0.08 0.20 -0.54 0.00 0.00 175.26 175.51 3dwa s GLY 34 N -0.54 0.97 -0.10 -1.50 0.00 -0.27 -0.45 107.32 105.42 3dwa s GLY 34 Ca 0.08 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.39 3dwa s GLY 34 CO -0.01 -1.54 -0.20 0.54 0.00 0.00 0.00 173.10 171.89 3dwa s LYS 35 N -3.79 3.08 0.98 2.90 -0.14 -0.29 -1.57 119.74 120.91 3dwa s LYS 35 Ca 0.15 -0.82 -0.16 0.00 -1.36 0.00 0.00 55.97 53.78 3dwa s LYS 35 Cb 0.04 -2.39 0.21 0.00 -1.68 0.00 0.00 37.83 34.01 3dwa s LYS 35 CO -0.01 0.23 1.31 -0.65 -0.76 0.00 0.00 175.35 175.47 3dwa s GLN 36 N 0.25 0.46 0.27 1.68 -0.21 -0.47 -1.80 119.66 119.85 3dwa s GLN 36 Ca -0.14 -0.41 0.17 0.00 0.02 0.00 0.00 55.36 55.01 3dwa s GLN 36 Cb -0.17 -1.82 0.95 0.00 1.00 0.00 0.00 33.01 32.97 3dwa s GLN 36 CO 0.07 -2.54 1.06 0.43 -2.12 0.00 0.00 175.29 172.19 3dwa n SER 37 N -3.85 0.20 0.00 5.90 7.64 -1.26 -1.85 113.62 120.39 3dwa n SER 37 Ca 0.15 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3dwa n SER 37 Cb 0.59 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3dwa n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dwa n ALA 38 N -2.52 0.00 -0.21 -0.43 0.00 -1.26 -4.95 120.51 111.14 3dwa n ALA 38 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3dwa n ALA 38 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 0.00 0.86 3.89 0.00 0.00 -0.77 -5.09 105.19 104.08 3dwa n GLY 39 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3dwa n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwa s SER 40 N -2.13 6.53 -0.09 1.61 1.04 -1.26 -4.88 113.70 114.51 3dwa s SER 40 Ca 0.00 0.77 -0.03 0.00 0.48 0.00 0.00 55.95 57.18 3dwa s SER 40 Cb 0.00 -2.17 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 3dwa s SER 40 CO 0.00 -0.09 0.02 -0.44 0.98 0.00 0.00 173.24 173.71 3dwa s SER 41 N -2.67 5.38 0.02 7.02 0.01 -1.26 -1.36 113.70 120.85 3dwa s SER 41 Ca 0.45 0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.97 3dwa s SER 41 Cb -0.11 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 3dwa s SER 41 CO 0.25 0.38 -0.23 -0.51 0.41 0.00 0.00 173.24 173.53 3dwa s ILE 42 N -0.86 1.88 0.06 1.44 1.10 -0.61 -4.99 121.20 119.23 3dwa s ILE 42 Ca 0.13 -1.19 0.05 0.00 -0.51 0.00 0.00 60.65 59.13 3dwa s ILE 42 Cb -0.11 -1.60 -0.03 0.00 0.15 0.00 0.00 42.46 40.87 3dwa s ILE 42 CO 0.02 0.37 -0.15 -0.44 -2.11 0.00 0.00 174.94 172.63 3dwa s SER 43 N -0.98 1.79 -0.25 4.50 0.01 -1.26 -1.12 113.70 116.39 3dwa s SER 43 Ca 0.09 -0.58 -0.22 0.00 1.31 0.00 0.00 55.95 56.56 3dwa s SER 43 Cb -0.09 -0.08 0.06 0.00 0.21 0.00 0.00 66.02 66.12 3dwa s SER 43 CO 0.01 -0.02 0.65 0.00 0.41 0.00 0.00 173.24 174.29 3dwa s ALA 44 N -1.13 -1.62 0.11 1.44 0.00 -1.12 -4.69 121.76 114.76 3dwa s ALA 44 Ca 0.00 1.86 0.08 0.00 0.00 0.00 0.00 51.96 53.91 3dwa s ALA 44 Cb -0.09 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 3dwa s ALA 44 CO 0.02 -0.31 -0.17 0.00 0.00 0.00 0.00 175.76 175.30 3dwa n SER 46 N 0.87 2.52 -4.12 0.00 2.88 -0.29 -1.10 113.62 114.39 3dwa n SER 46 Ca -0.15 -1.96 -0.24 0.00 -1.33 0.00 0.00 58.87 55.18 3dwa n SER 46 Cb 0.53 0.14 -0.16 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.83 1.47 -1.59 -1.46 2.20 -0.47 -1.40 119.74 115.66 3dwa s LYS 48 Ca 0.02 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 3dwa s LYS 48 Cb -0.00 -1.34 0.00 0.00 -1.51 0.00 0.00 37.83 34.98 3dwa s LYS 48 CO 0.01 0.27 0.00 0.09 -0.36 0.00 0.00 175.35 175.36 3dwa n ASN 49 N 2.98 -4.05 -3.60 1.43 5.03 -1.23 -4.69 115.26 111.13 3dwa n ASN 49 Ca -0.17 0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.64 3dwa n ASN 49 Cb 0.54 -3.69 0.00 0.00 -1.02 0.00 0.00 39.78 35.61 3dwa n ASN 49 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3dwa n SER 50 N -0.81 -0.46 0.00 6.41 3.41 -1.26 -4.94 113.62 115.97 3dwa n SER 50 Ca -0.15 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3dwa n SER 50 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3dwa n SER 50 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3dwa n SER 51 N -0.79 0.00 0.07 4.04 2.88 -1.26 -4.48 113.62 114.07 3dwa n SER 51 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3dwa n SER 51 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 3dwa n SER 51 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3dwa h VAL 52 N 0.00 1.24 -0.31 2.46 3.04 -2.01 -3.23 116.25 117.44 3dwa h VAL 52 Ca 0.00 -2.85 0.00 0.00 -1.01 0.00 0.00 66.70 62.84 3dwa h VAL 52 Cb 0.00 2.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 3dwa h VAL 52 CO 0.00 0.71 0.00 0.79 -1.01 0.00 0.00 177.57 178.06 3dwa n TRP 53 N -3.23 0.40 0.21 3.17 7.02 -1.26 -4.54 117.44 119.21 3dwa n TRP 53 Ca -0.03 -0.20 0.10 0.00 -1.02 0.00 0.00 57.50 56.35 3dwa n TRP 53 Cb 0.89 0.00 0.65 0.00 -2.42 0.00 0.00 31.31 30.42 3dwa n TRP 53 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3dwa h GLY 54 N 4.83 0.00 2.00 6.99 0.00 -1.78 -2.82 103.07 112.30 3dwa h GLY 54 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dwa h GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3dwa h ALA 55 N 1.95 1.00 -0.12 3.60 0.00 -1.85 -2.73 119.26 121.11 3dwa h ALA 55 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dwa h ALA 55 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dwa h ALA 55 CO -0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 3dwa n SER 56 N -2.77 2.24 -0.20 0.00 7.64 -1.06 -4.59 113.62 114.88 3dwa n SER 56 Ca 0.01 -1.76 -0.02 0.00 1.01 0.00 0.00 58.87 58.11 3dwa n SER 56 Cb 0.25 -0.07 0.05 0.00 -1.01 0.00 0.00 64.21 63.43 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 3.27 -0.48 -0.28 1.43 3.57 -1.64 0.19 116.94 123.00 3dwa h PHE 57 Ca 0.00 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3dwa h PHE 57 Cb 0.70 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3dwa h PHE 57 CO 0.07 -0.30 -0.08 0.77 -2.23 0.00 0.00 178.31 176.54 3dwa h SER 58 N -0.05 0.55 -0.25 0.41 0.02 -1.85 0.03 113.55 112.41 3dwa h SER 58 Ca 0.28 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3dwa h SER 58 Cb 0.48 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3dwa h SER 58 CO -0.64 0.79 0.07 0.74 -1.14 0.00 0.00 176.83 176.66 3dwa h THR 59 N 0.30 1.21 -0.47 -2.27 2.02 -1.81 -2.61 112.91 109.27 3dwa h THR 59 Ca 0.07 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 3dwa h THR 59 Cb 0.56 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3dwa h THR 59 CO 0.03 0.22 0.16 -0.07 0.37 0.00 0.00 175.52 176.22 3dwa h LEU 60 N 0.24 0.67 -0.03 2.58 3.38 -0.91 -0.80 115.31 120.43 3dwa h LEU 60 Ca 0.08 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3dwa h LEU 60 Cb 0.26 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3dwa h LEU 60 CO -0.00 0.68 -0.15 0.22 0.09 0.00 0.00 178.44 179.28 3dwa h TYR 61 N 0.62 -0.39 -0.28 1.13 3.20 -0.95 0.19 116.97 120.49 3dwa h TYR 61 Ca 0.15 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3dwa h TYR 61 Cb 0.24 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3dwa h TYR 61 CO 0.01 -0.22 0.06 -0.91 -1.64 0.00 0.00 178.16 175.46 3dwa h ASN 62 N -0.23 0.43 -0.15 -2.11 4.21 -1.38 -1.80 115.58 114.55 3dwa h ASN 62 Ca 0.06 -0.25 -0.00 0.00 1.21 0.00 0.00 56.30 57.32 3dwa h ASN 62 Cb 0.32 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.39 3dwa h ASN 62 CO -0.17 0.57 0.08 -0.61 -1.29 0.00 0.00 177.43 176.01 3dwa h GLN 63 N 0.28 0.22 -0.75 0.81 5.75 -1.01 -1.66 115.11 118.74 3dwa h GLN 63 Ca 0.09 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 3dwa h GLN 63 Cb 0.31 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 3dwa h GLN 63 CO 0.00 0.24 0.50 0.00 -2.65 0.00 0.00 178.83 176.92 3dwa h ALA 64 N 0.96 0.95 -0.62 3.38 0.00 -0.60 -1.35 119.26 121.98 3dwa h ALA 64 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dwa h ALA 64 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3dwa h ALA 64 CO -0.01 0.37 0.14 1.25 0.00 0.00 0.00 179.25 181.00 3dwa h LEU 65 N 1.02 0.95 -0.09 0.00 5.85 -1.32 0.34 115.31 122.04 3dwa h LEU 65 Ca 0.28 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3dwa h LEU 65 Cb -0.11 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.61 3dwa h LEU 65 CO -0.06 0.94 -0.32 0.22 -0.34 0.00 0.00 178.44 178.88 3dwa h TYR 66 N 0.91 -0.88 -0.15 1.25 3.20 -0.98 -1.80 116.97 118.52 3dwa h TYR 66 Ca 0.19 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 3dwa h TYR 66 Cb 0.37 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3dwa h TYR 66 CO 0.03 -0.40 -0.38 0.74 -1.64 0.00 0.00 178.16 176.51 3dwa h PHE 67 N -0.42 0.38 -0.66 -3.82 0.04 -1.09 -0.97 116.94 110.40 3dwa h PHE 67 Ca 0.09 -0.10 0.08 0.00 2.80 0.00 0.00 57.97 60.84 3dwa h PHE 67 Cb 0.55 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 3dwa h PHE 67 CO -0.39 0.66 0.33 -0.92 -0.60 0.00 0.00 178.31 177.39 3dwa h TYR 68 N 0.27 0.60 -0.12 -0.55 3.20 -0.83 -1.44 116.97 118.10 3dwa h TYR 68 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3dwa h TYR 68 Cb 0.79 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 3dwa h TYR 68 CO 0.02 0.24 0.01 1.15 -1.64 0.00 0.00 178.16 177.94 3dwa h THR 69 N 0.59 1.23 0.00 1.81 2.02 -0.44 -3.22 112.91 114.91 3dwa h THR 69 Ca 0.32 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 3dwa h THR 69 Cb 0.29 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3dwa h THR 69 CO -0.23 0.22 -0.48 0.71 0.37 0.00 0.00 175.52 176.10 3dwa h THR 70 N -0.05 1.18 0.00 3.16 1.35 -1.17 -3.47 112.91 113.91 3dwa h THR 70 Ca 0.03 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 3dwa h THR 70 Cb 0.32 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3dwa h THR 70 CO 0.00 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3dwa n GLY 71 N 0.15 0.46 3.63 5.82 0.00 -0.55 -5.01 105.19 109.69 3dwa n GLY 71 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3dwa n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dwa n GLN 72 N -1.80 1.30 -2.66 1.61 6.02 -1.25 -4.85 117.38 115.74 3dwa n GLN 72 Ca 0.00 0.47 -0.42 0.00 -0.01 0.00 0.00 57.00 57.05 3dwa n GLN 72 Cb 0.10 -2.15 -0.03 0.00 1.02 0.00 0.00 30.24 29.18 3dwa n GLN 72 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3dwa s PRO 73 N -2.32 4.58 0.15 -1.09 0.04 -1.26 -4.52 135.00 130.57 3dwa s PRO 73 Ca 0.67 1.50 0.01 0.00 0.04 0.00 0.00 61.00 63.22 3dwa s PRO 73 Cb -0.49 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 3dwa s PRO 73 CO 0.54 -0.00 -0.00 0.14 0.04 0.00 0.00 177.00 177.71 3dwa s VAL 74 N 0.67 0.56 -0.18 -0.36 -7.23 0.64 -3.30 120.40 111.20 3dwa s VAL 74 Ca 0.51 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 3dwa s VAL 74 Cb -0.23 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 3dwa s VAL 74 CO 0.29 -0.56 0.20 -0.60 -0.31 0.00 0.00 175.10 174.12 3dwa s ARG 75 N -3.92 4.18 -0.23 4.82 3.52 -0.24 -0.34 118.95 126.74 3dwa s ARG 75 Ca 0.21 -0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.63 3dwa s ARG 75 Cb 0.06 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 3dwa s ARG 75 CO 0.02 0.30 0.12 0.42 -0.81 0.00 0.00 175.30 175.35 3dwa s ILE 76 N 0.33 5.00 -0.19 4.11 1.09 -0.16 -2.12 121.20 129.26 3dwa s ILE 76 Ca 0.12 0.05 -0.09 0.00 -1.10 0.00 0.00 60.65 59.64 3dwa s ILE 76 Cb -0.12 -3.32 -0.04 0.00 -1.06 0.00 0.00 42.46 37.92 3dwa s ILE 76 CO 0.01 0.36 0.09 -0.31 -0.10 0.00 0.00 174.94 174.99 3dwa s TYR 77 N 1.09 3.31 0.05 3.97 2.02 -0.72 -0.88 117.35 126.18 3dwa s TYR 77 Ca 0.06 0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.92 3dwa s TYR 77 Cb -0.14 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 3dwa s TYR 77 CO 0.04 0.18 -0.03 1.52 -1.57 0.00 0.00 175.55 175.69 3dwa s TYR 78 N 0.45 0.53 -0.16 2.71 -0.85 -0.77 -0.28 117.35 118.98 3dwa s TYR 78 Ca 0.05 -1.05 0.00 0.00 -0.52 0.00 0.00 57.07 55.56 3dwa s TYR 78 Cb -0.12 -0.39 0.03 0.00 0.38 0.00 0.00 41.96 41.86 3dwa s TYR 78 CO -0.00 -0.36 -0.10 -2.00 -1.52 0.00 0.00 175.55 171.56 3dwa s GLU 79 N -3.84 1.95 0.75 -3.49 2.12 0.05 -1.35 118.70 114.89 3dwa s GLU 79 Ca 0.07 -0.61 -0.12 0.00 0.36 0.00 0.00 54.97 54.67 3dwa s GLU 79 Cb 0.07 -2.12 0.05 0.00 0.26 0.00 0.00 34.13 32.39 3dwa s GLU 79 CO -0.09 -0.34 1.12 -1.25 -0.54 0.00 0.00 175.26 174.16 3dwa s PRO 80 N 1.51 2.25 -0.13 4.30 0.05 -1.26 -1.15 135.00 140.57 3dwa s PRO 80 Ca 0.02 1.37 0.00 0.00 0.05 0.00 0.00 61.00 62.44 3dwa s PRO 80 Cb -0.14 -1.88 0.00 0.00 0.05 0.00 0.00 34.50 32.52 3dwa s PRO 80 CO -0.09 -1.68 0.00 0.41 0.05 0.00 0.00 177.00 175.69 3dwa n GLY 81 N -0.59 0.38 0.12 0.56 0.00 -1.19 -4.87 105.19 99.59 3dwa n GLY 81 Ca 0.10 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 1.46 -3.40 1.61 2.07 -1.12 -3.44 116.25 113.43 3dwa h VAL 82 Ca -0.02 -1.78 -0.55 0.00 0.82 0.00 0.00 66.70 65.17 3dwa h VAL 82 Cb 0.47 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 3dwa h VAL 82 CO 0.04 0.50 0.07 0.26 0.02 0.00 0.00 177.57 178.46 3dwa s TRP 83 N -3.50 3.82 0.00 1.57 0.52 -0.52 -4.98 118.94 115.86 3dwa s TRP 83 Ca -0.15 1.43 0.00 0.00 0.02 0.00 0.00 56.10 57.41 3dwa s TRP 83 Cb 0.03 -2.62 0.00 0.00 -1.15 0.00 0.00 33.47 29.72 3dwa s TRP 83 CO 0.76 0.52 0.00 0.25 0.02 0.00 0.00 176.95 178.50 3dwa n THR 84 N 1.51 0.00 -1.59 2.01 -2.24 -1.26 -4.64 114.28 108.06 3dwa n THR 84 Ca -0.07 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.24 3dwa n THR 84 Cb 0.50 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 3dwa n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dwa n TYR 85 N -1.62 2.04 -0.14 4.78 9.36 -1.26 -4.86 117.16 125.47 3dwa n TYR 85 Ca 0.00 0.01 -0.05 0.00 3.32 0.00 0.00 57.90 61.18 3dwa n TYR 85 Cb 0.29 -2.66 0.04 0.00 -0.63 0.00 0.00 39.34 36.38 3dwa n TYR 85 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3dwa h PRO 86 N 11.95 0.32 -0.91 2.98 0.11 -1.99 -0.35 132.00 144.12 3dwa h PRO 86 Ca -0.41 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.76 3dwa h PRO 86 Cb 1.27 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3dwa h PRO 86 CO 0.97 0.21 0.59 -1.35 -0.21 0.00 0.00 178.00 178.21 3dwa h PRO 87 N 0.33 0.98 -0.35 1.05 0.11 -2.00 -0.49 132.00 131.63 3dwa h PRO 87 Ca 0.20 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3dwa h PRO 87 Cb 0.19 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3dwa h PRO 87 CO -0.20 0.65 0.05 0.35 -0.21 0.00 0.00 178.00 178.64 3dwa h PHE 88 N 1.01 0.62 -0.56 0.65 3.57 -1.69 -2.30 116.94 118.23 3dwa h PHE 88 Ca 0.40 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3dwa h PHE 88 Cb 0.24 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3dwa h PHE 88 CO -0.00 0.65 0.20 0.28 -2.23 0.00 0.00 178.31 177.21 3dwa h VAL 89 N 0.41 1.21 -0.12 1.41 2.07 -0.75 -0.89 116.25 119.60 3dwa h VAL 89 Ca 0.11 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3dwa h VAL 89 Cb 0.36 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3dwa h VAL 89 CO 0.01 0.26 -0.13 0.50 0.02 0.00 0.00 177.57 178.23 3dwa h LYS 90 N 0.81 0.30 -0.45 1.57 3.64 -0.96 -3.18 116.57 118.29 3dwa h LYS 90 Ca 0.19 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 3dwa h LYS 90 Cb 0.19 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3dwa h LYS 90 CO -0.01 0.71 -0.22 0.00 -2.27 0.00 0.00 179.45 177.66 3dwa h ALA 91 N 0.58 0.76 -3.00 5.00 0.00 -1.39 -3.46 119.26 117.75 3dwa h ALA 91 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3dwa h ALA 91 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3dwa h ALA 91 CO 0.03 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.22 3dwa n LEU 92 N -4.11 0.00 -3.56 0.00 4.77 -0.34 -5.11 117.00 108.64 3dwa n LEU 92 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3dwa n LEU 92 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 3dwa n LEU 92 CO 0.46 0.00 0.73 0.28 -1.33 0.00 0.00 177.39 177.53 3dwa s THR 93 N 0.90 0.00 -1.09 -5.08 -1.32 -1.20 -4.95 115.64 102.90 3dwa s THR 93 Ca 0.00 -0.14 0.25 0.00 -1.21 0.00 0.00 61.69 60.59 3dwa s THR 93 Cb 0.00 -1.23 0.02 0.00 -1.51 0.00 0.00 72.50 69.78 3dwa s THR 93 CO 0.00 0.00 1.40 -1.54 -2.21 0.00 0.00 174.62 172.27 3dwa n SER 94 N -0.29 0.60 -4.70 8.08 3.41 -1.26 -4.49 113.62 114.97 3dwa n SER 94 Ca -0.07 -0.37 -0.42 0.00 -0.26 0.00 0.00 58.87 57.74 3dwa n SER 94 Cb 0.61 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.94 6.88 0.12 4.04 0.01 -1.26 -0.84 114.94 120.95 3dwa s ASN 95 Ca 0.12 2.14 -0.24 0.00 -0.71 0.00 0.00 52.86 54.18 3dwa s ASN 95 Cb 0.18 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.19 3dwa s ASN 95 CO 0.69 -0.66 0.72 0.00 -1.51 0.00 0.00 177.10 176.33 3dwa s ALA 96 N 1.90 3.48 -0.07 0.60 0.00 -0.30 -1.10 121.76 126.26 3dwa s ALA 96 Ca 0.63 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 3dwa s ALA 96 Cb -0.32 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3dwa s ALA 96 CO 0.28 0.29 0.98 -1.17 0.00 0.00 0.00 175.76 176.14 3dwa s LEU 97 N -0.98 4.29 0.00 0.00 2.96 -0.26 -0.77 118.68 123.92 3dwa s LEU 97 Ca 0.34 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.81 3dwa s LEU 97 Cb -0.22 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3dwa s LEU 97 CO 0.24 -0.37 0.38 1.33 -1.32 0.00 0.00 176.35 176.60 3dwa n VAL 98 N 4.31 0.09 0.00 1.68 0.24 0.61 -4.78 118.33 120.48 3dwa n VAL 98 Ca 0.07 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3dwa n VAL 98 Cb 0.50 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 34.15 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 -0.04 1.57 3.28 7.63 0.00 -1.17 -4.64 105.19 111.81 3dwa n GLY 99 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 0.66 0.02 0.99 1.43 -1.26 -1.76 118.68 118.76 3dwa s LEU 100 Ca 0.00 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3dwa s LEU 100 Cb 0.00 1.47 0.01 0.00 0.03 0.00 0.00 46.19 47.70 3dwa s LEU 100 CO 0.00 -0.53 0.23 -0.44 0.23 0.00 0.00 176.35 175.84 3dwa s SER 101 N -1.57 -0.04 0.67 2.29 0.01 -0.90 -4.97 113.70 109.18 3dwa s SER 101 Ca -0.10 -0.21 -0.13 0.00 1.31 0.00 0.00 55.95 56.81 3dwa s SER 101 Cb -0.03 0.29 -0.00 0.00 0.21 0.00 0.00 66.02 66.49 3dwa s SER 101 CO 0.02 -0.51 1.07 0.42 0.41 0.00 0.00 173.24 174.66 3dwa s THR 102 N -2.08 3.67 0.06 1.44 -4.23 -1.26 -1.08 115.64 112.16 3dwa s THR 102 Ca -0.09 0.67 0.08 0.00 -1.18 0.00 0.00 61.69 61.18 3dwa s THR 102 Cb -0.03 -3.25 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 3dwa s THR 102 CO -0.01 -0.58 -0.22 0.00 -0.54 0.00 0.00 174.62 173.26 3dwa n THR 104 N 1.61 1.69 -4.14 0.00 -2.24 0.35 -4.94 114.28 106.60 3dwa n THR 104 Ca -0.18 -0.69 -0.07 0.00 -2.27 0.00 0.00 64.05 60.84 3dwa n THR 104 Cb 0.53 -1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 67.29 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 -3.31 0.00 0.47 4.28 -2.24 -0.67 -4.97 114.28 107.83 3dwa n THR 105 Ca -0.30 -0.61 0.10 0.00 -2.27 0.00 0.00 64.05 60.97 3dwa n THR 105 Cb 1.05 0.20 0.41 0.00 -2.10 0.00 0.00 70.33 69.88 3dwa n THR 105 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dwa n SER 106 N -1.74 0.34 0.00 3.42 3.41 -1.26 -3.75 113.62 114.04 3dwa n SER 106 Ca -0.02 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3dwa n SER 106 Cb 0.16 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 3dwa n SER 106 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3dwa n THR 107 N -1.87 0.00 -3.59 6.66 5.66 -1.26 -2.17 114.28 117.71 3dwa n THR 107 Ca 0.03 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.64 3dwa n THR 107 Cb 0.21 -0.03 -0.11 0.00 -1.55 0.00 0.00 70.33 68.85 3dwa n THR 107 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dwa s GLU 108 N -1.23 3.61 0.20 1.09 0.41 -1.25 -4.92 118.70 116.61 3dwa s GLU 108 Ca 0.00 -0.55 0.04 0.00 -0.41 0.00 0.00 54.97 54.05 3dwa s GLU 108 Cb 0.00 -3.68 -0.05 0.00 -1.78 0.00 0.00 34.13 28.63 3dwa s GLU 108 CO 0.00 -0.34 -0.03 0.00 -0.49 0.00 0.00 175.26 174.40 3dwa s PHE 110 N -3.43 3.87 0.00 0.00 5.36 -0.36 -4.92 117.98 118.49 3dwa s PHE 110 Ca 0.24 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.89 3dwa s PHE 110 Cb 0.05 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.86 3dwa s PHE 110 CO 0.05 0.40 0.00 0.41 -1.46 0.00 0.00 175.22 174.62 3dwa n GLY 111 N 1.86 -0.42 3.82 13.12 0.00 -1.26 -4.69 105.19 117.62 3dwa n GLY 111 Ca -0.03 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.69 3.03 -0.40 1.61 0.04 -1.26 -5.03 135.00 132.30 3dwa s PRO 112 Ca 0.00 0.95 -0.24 0.00 0.04 0.00 0.00 61.00 61.74 3dwa s PRO 112 Cb 0.00 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3dwa s PRO 112 CO 0.00 -1.02 0.86 -0.51 0.04 0.00 0.00 177.00 176.36 3dwa s ASP 113 N -3.78 6.55 -0.83 6.66 1.01 -1.26 -4.94 116.67 120.09 3dwa s ASP 113 Ca 0.58 0.29 -0.19 0.00 0.71 0.00 0.00 52.55 53.94 3dwa s ASP 113 Cb -0.14 -2.43 0.12 0.00 1.01 0.00 0.00 42.92 41.49 3dwa s ASP 113 CO 0.54 -0.87 1.03 -0.60 0.21 0.00 0.00 175.17 175.48 3dwa s ARG 114 N 3.39 3.44 -0.14 8.23 3.52 -1.26 -4.62 118.95 131.51 3dwa s ARG 114 Ca 0.34 -1.57 -0.11 0.00 -0.13 0.00 0.00 55.73 54.26 3dwa s ARG 114 Cb -0.12 -4.68 0.04 0.00 -1.56 0.00 0.00 34.95 28.64 3dwa s ARG 114 CO 0.20 -1.73 0.36 0.21 -0.81 0.00 0.00 175.30 173.54 3dwa s LYS 115 N 2.82 0.40 0.26 5.12 2.20 -0.91 -4.21 119.74 125.42 3dwa s LYS 115 Ca 0.27 0.55 -0.31 0.00 -0.36 0.00 0.00 55.97 56.12 3dwa s LYS 115 Cb -0.10 0.14 -0.13 0.00 -1.51 0.00 0.00 37.83 36.24 3dwa s LYS 115 CO -0.04 -0.08 1.43 1.63 -0.36 0.00 0.00 175.35 177.94 3dwa n LYS 116 N 3.20 2.16 -1.05 4.03 5.02 -1.23 -2.95 118.16 127.35 3dwa n LYS 116 Ca -0.16 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 3dwa n LYS 116 Cb 0.57 -2.44 0.13 0.00 -0.02 0.00 0.00 35.03 33.26 3dwa n LYS 116 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3dwa s ASN 117 N 0.28 3.70 0.48 4.39 0.02 -1.26 -4.92 114.94 117.63 3dwa s ASN 117 Ca 0.66 2.12 -0.02 0.00 -1.02 0.00 0.00 52.86 54.61 3dwa s ASN 117 Cb -0.61 -2.56 -0.01 0.00 0.02 0.00 0.00 41.25 38.09 3dwa s ASN 117 CO 0.50 -2.58 0.73 -0.94 0.02 0.00 0.00 177.10 174.83 3dwa s SER 118 N -2.72 5.86 -0.20 -1.22 1.04 -1.26 -5.07 113.70 110.13 3dwa s SER 118 Ca 0.67 0.47 -0.08 0.00 0.48 0.00 0.00 55.95 57.49 3dwa s SER 118 Cb -0.23 -1.69 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 3dwa s SER 118 CO 0.54 -0.74 0.07 -0.22 0.98 0.00 0.00 173.24 173.87 3dwa s LEU 119 N -4.66 3.75 0.00 2.42 2.96 -1.26 -5.31 118.68 116.58 3dwa s LEU 119 Ca 0.49 0.02 0.20 0.00 -0.22 0.00 0.00 54.13 54.61 3dwa s LEU 119 Cb -0.10 -1.96 1.18 0.00 0.50 0.00 0.00 46.19 45.81 3dwa s LEU 119 CO 0.40 0.12 1.57 1.21 -1.32 0.00 0.00 176.35 178.33