#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpb s LYS 10 N 0.00 3.85 -0.04 4.33 1.02 -1.26 -5.09 119.74 122.55 3dpb s LYS 10 Ca 0.00 0.33 0.06 0.00 0.02 0.00 0.00 55.97 56.38 3dpb s LYS 10 Cb 0.00 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 3dpb s LYS 10 CO 0.00 0.70 -0.22 -1.21 -0.92 0.00 0.00 175.35 173.70 3dpb s GLU 11 N -1.12 2.04 0.05 1.68 0.41 -1.26 -5.13 118.70 115.38 3dpb s GLU 11 Ca 0.23 -0.78 0.02 0.00 -0.41 0.00 0.00 54.97 54.03 3dpb s GLU 11 Cb -0.16 -1.82 -0.03 0.00 -1.78 0.00 0.00 34.13 30.34 3dpb s GLU 11 CO 0.12 0.38 -0.07 0.71 -0.49 0.00 0.00 175.26 175.91 3dpb s TYR 12 N -0.25 0.71 -0.30 1.61 1.51 -1.26 -4.99 117.35 114.39 3dpb s TYR 12 Ca 0.01 -0.61 -0.22 0.00 -1.01 0.00 0.00 57.07 55.24 3dpb s TYR 12 Cb -0.11 -0.42 0.18 0.00 -0.11 0.00 0.00 41.96 41.50 3dpb s TYR 12 CO 0.01 -0.11 1.31 0.20 -1.11 0.00 0.00 175.55 175.86 3dpb s GLY 13 N -1.95 0.32 -0.04 0.71 0.00 -1.26 -5.03 107.32 100.07 3dpb s GLY 13 Ca -0.05 3.45 0.01 0.00 0.00 0.00 0.00 44.72 48.13 3dpb s GLY 13 CO -0.01 2.15 -0.03 0.14 0.00 0.00 0.00 173.10 175.36 3dpb s VAL 14 N 0.37 0.40 -0.19 1.40 1.01 -1.26 -3.84 120.40 118.28 3dpb s VAL 14 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3dpb s VAL 14 Cb -0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 3dpb s VAL 14 CO -0.13 0.20 -0.10 -0.89 0.00 0.00 0.00 175.10 174.18 3dpb s THR 15 N 1.04 2.98 0.01 3.92 2.01 -0.64 -4.95 115.64 120.02 3dpb s THR 15 Ca -0.09 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.09 3dpb s THR 15 Cb -0.14 -2.31 -0.06 0.00 0.01 0.00 0.00 72.50 70.00 3dpb s THR 15 CO -0.01 0.47 0.51 -0.63 -0.69 0.00 0.00 174.62 174.27 3dpb s ILE 16 N 1.19 4.92 -0.66 1.82 -1.09 -1.26 0.54 121.20 126.66 3dpb s ILE 16 Ca 0.02 1.06 0.22 0.00 -2.23 0.00 0.00 60.65 59.72 3dpb s ILE 16 Cb -0.14 -3.83 0.23 0.00 -1.58 0.00 0.00 42.46 37.13 3dpb s ILE 16 CO -0.04 0.51 1.68 0.61 -1.23 0.00 0.00 174.94 176.48 3dpb n GLY 17 N 2.06 -1.30 3.23 6.18 0.00 -0.36 -4.66 105.19 110.33 3dpb n GLY 17 Ca -0.11 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 3dpb n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dpb s GLU 18 N -3.20 1.07 0.00 1.61 -1.05 -1.26 -4.96 118.70 110.91 3dpb s GLU 18 Ca 0.06 -1.51 0.22 0.00 -0.15 0.00 0.00 54.97 53.60 3dpb s GLU 18 Cb 0.10 -0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.55 3dpb s GLU 18 CO 0.41 -0.13 1.07 -1.13 0.95 0.00 0.00 175.26 176.43 3dpb n SER 19 N -0.21 1.98 -3.67 0.83 3.41 -1.26 -4.93 113.62 109.76 3dpb n SER 19 Ca -0.07 -1.49 -0.10 0.00 -0.26 0.00 0.00 58.87 56.95 3dpb n SER 19 Cb 0.63 0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 65.05 3dpb n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpb s ARG 20 N -2.50 1.20 -0.13 4.33 3.03 -1.26 -4.16 118.95 119.46 3dpb s ARG 20 Ca 0.18 -0.77 0.03 0.00 2.03 0.00 0.00 55.73 57.19 3dpb s ARG 20 Cb 0.18 0.49 0.01 0.00 -1.03 0.00 0.00 34.95 34.60 3dpb s ARG 20 CO 0.59 -0.49 -0.21 0.42 -1.13 0.00 0.00 175.30 174.49 3dpb s ILE 21 N -3.83 1.93 -0.46 4.99 1.01 0.52 -4.99 121.20 120.37 3dpb s ILE 21 Ca 0.06 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 3dpb s ILE 21 Cb 0.01 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.80 3dpb s ILE 21 CO -0.08 0.53 0.56 -0.63 0.00 0.00 0.00 174.94 175.32 3dpb s ILE 22 N 0.78 4.94 -0.38 2.92 -1.09 -1.26 0.38 121.20 127.49 3dpb s ILE 22 Ca -0.09 -0.26 -0.15 0.00 -2.23 0.00 0.00 60.65 57.92 3dpb s ILE 22 Cb -0.16 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.55 3dpb s ILE 22 CO -0.00 -0.61 0.30 -0.47 -1.23 0.00 0.00 174.94 172.93 3dpb s TYR 23 N 2.51 3.23 -0.13 3.97 5.04 0.94 -4.96 117.35 127.94 3dpb s TYR 23 Ca 0.16 -0.40 -0.29 0.00 -2.44 0.00 0.00 57.07 54.10 3dpb s TYR 23 Cb -0.17 -2.60 -0.03 0.00 0.35 0.00 0.00 41.96 39.51 3dpb s TYR 23 CO 0.15 -0.52 1.48 -2.14 -1.34 0.00 0.00 175.55 173.18 3dpb s PRO 24 N 1.77 4.14 0.04 4.97 0.02 -1.26 -0.98 135.00 143.70 3dpb s PRO 24 Ca 0.07 1.87 -0.38 0.00 0.02 0.00 0.00 61.00 62.57 3dpb s PRO 24 Cb -0.18 -3.90 -0.18 0.00 0.02 0.00 0.00 34.50 30.26 3dpb s PRO 24 CO 0.11 -0.86 1.22 -0.11 -0.33 0.00 0.00 177.00 177.03 3dpb n LEU 25 N 7.13 0.91 0.00 -5.54 7.94 -0.30 -0.56 117.00 126.57 3dpb n LEU 25 Ca 0.16 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 3dpb n LEU 25 Cb 0.44 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.32 3dpb n LEU 25 CO 0.60 -1.43 0.00 0.47 -1.11 0.00 0.00 177.39 175.93 3dpb n ASP 26 N 2.10 -0.22 -4.73 1.96 8.00 -1.26 -4.70 116.55 117.70 3dpb n ASP 26 Ca 0.19 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.33 3dpb n ASP 26 Cb 0.14 -0.77 0.07 0.00 -0.02 0.00 0.00 41.12 40.54 3dpb n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dpb s ALA 27 N -3.05 2.34 0.06 2.24 0.00 0.28 -4.95 121.76 118.68 3dpb s ALA 27 Ca 0.00 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.79 3dpb s ALA 27 Cb 0.00 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.44 3dpb s ALA 27 CO 0.00 -1.59 1.58 0.00 0.00 0.00 0.00 175.76 175.75 3dpb h ALA 28 N 0.38 -0.13 -2.18 0.00 0.00 -1.89 -3.39 119.26 112.05 3dpb h ALA 28 Ca -0.50 -0.09 0.31 0.00 0.00 0.00 0.00 54.91 54.63 3dpb h ALA 28 Cb 1.32 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 3dpb h ALA 28 CO 0.53 -0.50 0.83 0.20 0.00 0.00 0.00 179.25 180.31 3dpb s GLY 29 N -2.44 -0.09 0.08 0.00 0.00 -1.26 -3.58 107.32 100.03 3dpb s GLY 29 Ca -0.14 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.60 3dpb s GLY 29 CO 0.65 4.71 -0.09 -1.34 0.00 0.00 0.00 173.10 177.02 3dpb s VAL 30 N -2.07 0.84 -0.03 1.40 -7.23 -0.48 -4.98 120.40 107.85 3dpb s VAL 30 Ca 0.27 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 3dpb s VAL 30 Cb -0.01 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3dpb s VAL 30 CO 0.00 -0.53 0.07 -0.04 -0.31 0.00 0.00 175.10 174.29 3dpb s MET 31 N -2.57 3.08 -0.02 4.82 -1.94 -1.26 -0.93 119.30 120.48 3dpb s MET 31 Ca 0.02 -0.44 -0.02 0.00 -1.71 0.00 0.00 55.69 53.55 3dpb s MET 31 Cb -0.04 -2.88 0.00 0.00 2.01 0.00 0.00 34.83 33.93 3dpb s MET 31 CO -0.00 0.67 0.05 0.54 -0.01 0.00 0.00 175.02 176.27 3dpb s VAL 32 N -1.12 0.00 0.16 -6.03 0.11 -0.37 -4.97 120.40 108.18 3dpb s VAL 32 Ca 0.20 -0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.14 3dpb s VAL 32 Cb -0.12 -0.08 -0.07 0.00 -1.53 0.00 0.00 36.38 34.58 3dpb s VAL 32 CO 0.11 -0.01 0.48 -0.94 -3.33 0.00 0.00 175.10 171.41 3dpb s SER 33 N 0.00 6.65 -0.08 3.54 1.04 -1.26 -0.08 113.70 123.51 3dpb s SER 33 Ca -0.00 0.86 0.03 0.00 0.48 0.00 0.00 55.95 57.32 3dpb s SER 33 Cb -0.01 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.92 3dpb s SER 33 CO 0.00 0.04 -0.17 -0.69 0.98 0.00 0.00 173.24 173.41 3dpb s VAL 34 N -1.62 1.48 -0.13 5.02 1.01 0.22 -1.23 120.40 125.16 3dpb s VAL 34 Ca 0.41 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3dpb s VAL 34 Cb -0.13 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3dpb s VAL 34 CO 0.21 0.43 -0.22 -0.75 0.00 0.00 0.00 175.10 174.76 3dpb s LYS 35 N 0.50 3.04 -0.60 2.72 2.20 0.19 -1.18 119.74 126.60 3dpb s LYS 35 Ca -0.15 -0.86 -0.24 0.00 -0.36 0.00 0.00 55.97 54.37 3dpb s LYS 35 Cb -0.16 -2.41 0.05 0.00 -1.51 0.00 0.00 37.83 33.80 3dpb s LYS 35 CO 0.05 0.04 0.96 1.21 -0.36 0.00 0.00 175.35 177.26 3dpb s ASN 36 N 0.69 6.26 0.00 1.43 2.47 -0.56 -1.62 114.94 123.61 3dpb s ASN 36 Ca -0.10 -0.63 0.28 0.00 0.42 0.00 0.00 52.86 52.84 3dpb s ASN 36 Cb -0.16 -2.43 1.51 0.00 -1.45 0.00 0.00 41.25 38.72 3dpb s ASN 36 CO 0.01 -1.34 1.99 0.35 -3.72 0.00 0.00 177.10 174.39 3dpb n THR 37 N 6.08 0.01 -3.31 -5.21 -2.24 -1.25 -2.28 114.28 106.08 3dpb n THR 37 Ca -0.01 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.48 3dpb n THR 37 Cb 0.47 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3dpb n THR 37 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dpb s GLN 38 N -1.99 3.14 0.00 -0.78 -1.52 -1.26 -4.74 119.66 112.51 3dpb s GLN 38 Ca 0.42 -0.75 0.21 0.00 -1.95 0.00 0.00 55.36 53.28 3dpb s GLN 38 Cb 0.20 -2.71 1.23 0.00 -0.22 0.00 0.00 33.01 31.50 3dpb s GLN 38 CO 0.33 -0.04 1.64 -0.25 -0.25 0.00 0.00 175.29 176.72 3dpb n ASP 39 N -1.80 0.00 -4.31 5.90 9.92 -1.26 -2.12 116.55 122.87 3dpb n ASP 39 Ca -0.00 -0.58 -0.18 0.00 -0.53 0.00 0.00 54.79 53.50 3dpb n ASP 39 Cb 0.58 -0.03 -0.10 0.00 -0.64 0.00 0.00 41.12 40.92 3dpb n ASP 39 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3dpb s TYR 40 N -2.07 1.59 0.56 1.24 -0.85 -1.26 -4.82 117.35 111.74 3dpb s TYR 40 Ca 0.30 -0.60 -0.16 0.00 -0.52 0.00 0.00 57.07 56.10 3dpb s TYR 40 Cb 0.14 -0.77 -0.05 0.00 0.38 0.00 0.00 41.96 41.66 3dpb s TYR 40 CO 0.25 0.27 1.03 -1.25 -1.52 0.00 0.00 175.55 174.33 3dpb s PRO 41 N -3.44 3.57 0.10 -3.49 0.04 -1.26 -3.87 135.00 126.64 3dpb s PRO 41 Ca 0.19 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.35 3dpb s PRO 41 Cb -0.01 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3dpb s PRO 41 CO 0.05 -0.59 -0.08 0.14 0.04 0.00 0.00 177.00 176.56 3dpb s VAL 42 N -2.54 0.78 -0.10 -0.36 -7.23 -0.56 -4.10 120.40 106.29 3dpb s VAL 42 Ca 0.62 -1.76 -0.22 0.00 -1.81 0.00 0.00 61.98 58.81 3dpb s VAL 42 Cb -0.13 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3dpb s VAL 42 CO 0.35 -0.72 0.63 -0.76 -0.31 0.00 0.00 175.10 174.30 3dpb s LEU 43 N -2.71 4.28 -0.27 1.32 1.43 -0.28 -0.25 118.68 122.20 3dpb s LEU 43 Ca 0.08 1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 3dpb s LEU 43 Cb 0.01 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 3dpb s LEU 43 CO -0.02 -0.11 0.18 -0.63 0.23 0.00 0.00 176.35 176.00 3dpb s ILE 44 N 0.91 5.30 -0.17 -0.59 -1.09 0.43 -0.12 121.20 125.88 3dpb s ILE 44 Ca 0.33 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 3dpb s ILE 44 Cb -0.17 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3dpb s ILE 44 CO 0.15 0.27 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.39 3dpb s GLN 45 N 1.59 3.14 -0.08 2.79 0.74 -0.55 -2.03 119.66 125.27 3dpb s GLN 45 Ca 0.07 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 54.76 3dpb s GLN 45 Cb -0.15 -2.63 -0.00 0.00 1.10 0.00 0.00 33.01 31.32 3dpb s GLN 45 CO 0.09 -0.08 -0.23 -1.12 -0.55 0.00 0.00 175.29 173.40 3dpb s SER 46 N 1.04 2.93 0.01 6.67 0.01 -0.91 -0.57 113.70 122.88 3dpb s SER 46 Ca -0.01 -0.51 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 3dpb s SER 46 Cb -0.15 -1.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.98 3dpb s SER 46 CO -0.04 0.18 -0.00 -0.13 0.41 0.00 0.00 173.24 173.66 3dpb s ARG 47 N 0.15 0.25 -0.10 12.44 0.52 -0.86 -4.77 118.95 126.57 3dpb s ARG 47 Ca -0.12 -0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 54.67 3dpb s ARG 47 Cb -0.16 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 3dpb s ARG 47 CO 0.06 -0.04 -0.07 0.42 0.02 0.00 0.00 175.30 175.69 3dpb s ILE 48 N -1.05 3.62 0.19 1.52 -1.09 -1.26 -0.59 121.20 122.54 3dpb s ILE 48 Ca -0.12 -0.49 0.10 0.00 -2.23 0.00 0.00 60.65 57.92 3dpb s ILE 48 Cb -0.07 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3dpb s ILE 48 CO -0.01 0.56 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.74 3dpb s TYR 49 N -0.30 2.13 1.04 3.97 1.51 -0.07 -4.90 117.35 120.72 3dpb s TYR 49 Ca 0.04 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.58 3dpb s TYR 49 Cb -0.13 -1.04 0.21 0.00 -0.11 0.00 0.00 41.96 40.89 3dpb s TYR 49 CO 0.02 0.46 1.08 0.16 -1.11 0.00 0.00 175.55 176.16 3dpb s ASP 50 N -2.74 2.22 0.65 2.29 -4.77 -0.99 -1.58 116.67 111.75 3dpb s ASP 50 Ca 0.20 1.27 0.35 0.00 -3.30 0.00 0.00 52.55 51.06 3dpb s ASP 50 Cb -0.07 -1.96 1.93 0.00 -1.09 0.00 0.00 42.92 41.73 3dpb s ASP 50 CO 0.09 -3.39 2.13 -0.08 0.70 0.00 0.00 175.17 174.62 3dpb h GLU 51 N -2.07 0.00 -0.30 2.11 4.81 -1.90 0.16 114.58 117.39 3dpb h GLU 51 Ca -0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3dpb h GLU 51 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3dpb h GLU 51 CO 0.56 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.93 3dpb n ASN 52 N -3.21 2.04 -2.07 1.04 3.02 -1.26 -4.93 115.26 109.89 3dpb n ASN 52 Ca -0.01 -1.88 -0.19 0.00 -0.03 0.00 0.00 54.58 52.47 3dpb n ASN 52 Cb 0.26 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 3dpb n ASN 52 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dpb n LYS 53 N 0.58 -1.66 -2.94 3.52 4.76 0.54 -5.02 118.16 117.94 3dpb n LYS 53 Ca 0.15 0.98 -0.40 0.00 -2.87 0.00 0.00 58.31 56.18 3dpb n LYS 53 Cb 0.35 -5.52 -0.06 0.00 -1.84 0.00 0.00 35.03 27.97 3dpb n LYS 53 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3dpb s GLU 54 N -4.48 4.58 -0.08 1.97 2.02 -1.26 -4.87 118.70 116.58 3dpb s GLU 54 Ca 0.00 1.19 -0.30 0.00 0.02 0.00 0.00 54.97 55.88 3dpb s GLU 54 Cb 0.00 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3dpb s GLU 54 CO 0.00 0.47 1.22 0.15 0.02 0.00 0.00 175.26 177.12 3dpb s LYS 55 N -0.79 4.32 0.00 1.61 -0.14 -1.26 -2.34 119.74 121.14 3dpb s LYS 55 Ca 0.38 1.68 0.00 0.00 -1.36 0.00 0.00 55.97 56.66 3dpb s LYS 55 Cb -0.23 -3.62 0.00 0.00 -1.68 0.00 0.00 37.83 32.31 3dpb s LYS 55 CO 0.26 -0.52 0.00 -0.35 -0.76 0.00 0.00 175.35 173.98 3dpb n PRO 60 N 5.60 0.00 -3.52 -1.68 -0.04 -1.26 -4.59 135.00 129.51 3dpb n PRO 60 Ca 0.12 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.20 3dpb n PRO 60 Cb 0.46 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.86 3dpb n PRO 60 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dpb s PHE 61 N 0.00 3.72 -0.04 0.54 0.08 -1.26 -0.77 117.98 120.25 3dpb s PHE 61 Ca 0.00 0.97 0.06 0.00 0.12 0.00 0.00 56.93 58.08 3dpb s PHE 61 Cb 0.00 -2.27 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 3dpb s PHE 61 CO 0.00 0.64 -0.23 0.08 -0.10 0.00 0.00 175.22 175.62 3dpb s VAL 62 N -1.09 2.29 -0.19 -0.44 1.01 0.14 -4.93 120.40 117.20 3dpb s VAL 62 Ca 0.24 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3dpb s VAL 62 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3dpb s VAL 62 CO 0.13 0.58 0.05 -0.69 0.00 0.00 0.00 175.10 175.17 3dpb s VAL 63 N -0.52 4.64 -0.12 2.92 1.01 -1.26 -0.47 120.40 126.61 3dpb s VAL 63 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3dpb s VAL 63 Cb -0.11 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.18 3dpb s VAL 63 CO 0.00 0.45 -0.19 -0.89 0.00 0.00 0.00 175.10 174.47 3dpb s THR 64 N 0.53 1.76 0.26 3.92 2.01 -0.37 -3.03 115.64 120.72 3dpb s THR 64 Ca 0.03 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 60.95 3dpb s THR 64 Cb -0.13 -1.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.72 3dpb s THR 64 CO 0.01 0.49 0.90 -2.84 -0.69 0.00 0.00 174.62 172.49 3dpb s PRO 65 N 0.81 4.64 0.42 4.92 0.02 -1.26 -1.24 135.00 143.31 3dpb s PRO 65 Ca -0.09 1.31 0.29 0.00 0.02 0.00 0.00 61.00 62.53 3dpb s PRO 65 Cb -0.16 -3.02 1.43 0.00 0.02 0.00 0.00 34.50 32.77 3dpb s PRO 65 CO 0.00 0.41 1.89 -1.00 -0.33 0.00 0.00 177.00 177.97 3dpb h PRO 66 N 3.67 0.00 -1.76 5.54 0.13 -1.84 -3.43 132.00 134.31 3dpb h PRO 66 Ca -0.46 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 3dpb h PRO 66 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 3dpb h PRO 66 CO 0.66 0.00 0.22 -1.17 -0.23 0.00 0.00 178.00 177.48 3dpb s LEU 67 N -5.16 -0.71 0.01 1.56 2.96 -1.26 -2.14 118.68 113.94 3dpb s LEU 67 Ca -0.00 1.15 -0.28 0.00 -0.22 0.00 0.00 54.13 54.78 3dpb s LEU 67 Cb 0.09 2.06 0.09 0.00 0.50 0.00 0.00 46.19 48.93 3dpb s LEU 67 CO 0.36 -0.18 0.78 0.72 -1.32 0.00 0.00 176.35 176.71 3dpb s PHE 68 N 1.40 -0.46 0.11 5.38 -0.12 -0.86 -4.98 117.98 118.45 3dpb s PHE 68 Ca -0.09 0.47 -0.27 0.00 -0.05 0.00 0.00 56.93 57.00 3dpb s PHE 68 Cb -0.04 0.51 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 3dpb s PHE 68 CO -0.16 -0.62 0.82 0.50 -0.05 0.00 0.00 175.22 175.71 3dpb s ARG 69 N -2.67 4.59 -0.17 1.99 3.52 -1.26 -0.43 118.95 124.52 3dpb s ARG 69 Ca -0.00 1.21 0.01 0.00 -0.13 0.00 0.00 55.73 56.82 3dpb s ARG 69 Cb -0.01 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 3dpb s ARG 69 CO -0.05 0.38 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.53 3dpb s LEU 70 N -0.50 1.98 0.95 -0.88 2.96 0.65 -4.92 118.68 118.93 3dpb s LEU 70 Ca 0.39 -0.70 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 3dpb s LEU 70 Cb -0.22 -1.19 0.16 0.00 0.50 0.00 0.00 46.19 45.43 3dpb s LEU 70 CO 0.26 -0.11 1.09 -1.81 -1.32 0.00 0.00 176.35 174.46 3dpb s ASP 71 N 1.45 2.99 0.31 3.68 1.01 -1.26 -1.50 116.67 123.34 3dpb s ASP 71 Ca 0.02 1.42 -0.28 0.00 0.71 0.00 0.00 52.55 54.42 3dpb s ASP 71 Cb -0.15 -2.10 -0.13 0.00 1.01 0.00 0.00 42.92 41.55 3dpb s ASP 71 CO -0.09 -2.94 1.18 0.00 0.21 0.00 0.00 175.17 173.53 3dpb n ALA 72 N -4.07 0.57 -0.83 5.23 0.00 -1.25 -2.40 120.51 117.76 3dpb n ALA 72 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3dpb n ALA 72 Cb 0.56 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3dpb n ALA 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dpb n LYS 73 N 0.78 -1.35 -3.60 0.00 4.76 -0.90 -4.94 118.16 112.91 3dpb n LYS 73 Ca 0.08 0.33 -0.27 0.00 -2.87 0.00 0.00 58.31 55.58 3dpb n LYS 73 Cb 0.34 -4.82 -0.03 0.00 -1.84 0.00 0.00 35.03 28.68 3dpb n LYS 73 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3dpb s GLN 74 N -1.66 3.54 -0.00 1.97 -1.52 -1.01 -4.86 119.66 116.12 3dpb s GLN 74 Ca 0.00 -0.27 0.06 0.00 -1.95 0.00 0.00 55.36 53.20 3dpb s GLN 74 Cb 0.00 -2.79 -0.02 0.00 -0.22 0.00 0.00 33.01 29.99 3dpb s GLN 74 CO 0.00 0.34 -0.18 -1.14 -0.25 0.00 0.00 175.29 174.07 3dpb s GLN 75 N -3.45 1.37 0.27 2.91 0.74 -1.26 -1.49 119.66 118.75 3dpb s GLN 75 Ca 0.40 -0.67 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 3dpb s GLN 75 Cb -0.11 -1.35 -0.02 0.00 1.10 0.00 0.00 33.01 32.63 3dpb s GLN 75 CO 0.30 0.36 0.30 1.21 -0.55 0.00 0.00 175.29 176.91 3dpb s ASN 76 N -0.56 0.66 0.15 6.67 3.84 -0.32 -4.98 114.94 120.39 3dpb s ASN 76 Ca 0.06 -1.43 0.09 0.00 0.21 0.00 0.00 52.86 51.80 3dpb s ASN 76 Cb -0.07 0.52 -0.04 0.00 -0.55 0.00 0.00 41.25 41.11 3dpb s ASN 76 CO -0.00 -1.04 -0.21 -0.94 -2.79 0.00 0.00 177.10 172.11 3dpb s SER 77 N -3.21 2.90 0.08 -4.21 1.04 -1.26 0.70 113.70 109.75 3dpb s SER 77 Ca 0.35 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3dpb s SER 77 Cb 0.03 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 3dpb s SER 77 CO 0.17 0.05 0.09 -0.76 0.98 0.00 0.00 173.24 173.77 3dpb s LEU 78 N -2.41 3.82 -0.22 2.42 1.43 0.88 -4.76 118.68 119.86 3dpb s LEU 78 Ca 0.14 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 3dpb s LEU 78 Cb -0.08 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 3dpb s LEU 78 CO 0.07 0.17 0.12 -0.60 0.23 0.00 0.00 176.35 176.33 3dpb s ARG 79 N -2.43 4.02 -0.28 1.70 3.52 -0.37 -1.24 118.95 123.87 3dpb s ARG 79 Ca 0.30 -0.31 -0.08 0.00 -0.13 0.00 0.00 55.73 55.51 3dpb s ARG 79 Cb -0.12 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3dpb s ARG 79 CO 0.22 0.14 0.11 0.42 -0.81 0.00 0.00 175.30 175.38 3dpb s ILE 80 N 0.79 4.45 -0.05 4.11 1.09 -0.10 -1.23 121.20 130.26 3dpb s ILE 80 Ca 0.06 -0.28 0.04 0.00 -1.10 0.00 0.00 60.65 59.37 3dpb s ILE 80 Cb -0.13 -3.17 -0.00 0.00 -1.06 0.00 0.00 42.46 38.10 3dpb s ILE 80 CO 0.02 0.22 -0.17 0.00 -0.10 0.00 0.00 174.94 174.91 3dpb s ALA 81 N 1.61 1.52 -0.26 9.38 0.00 0.38 -1.38 121.76 133.01 3dpb s ALA 81 Ca 0.05 -0.67 -0.23 0.00 0.00 0.00 0.00 51.96 51.11 3dpb s ALA 81 Cb -0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3dpb s ALA 81 CO 0.05 0.26 0.75 -1.14 0.00 0.00 0.00 175.76 175.68 3dpb s GLN 82 N 0.10 4.10 -0.38 0.00 0.74 -1.24 0.28 119.66 123.26 3dpb s GLN 82 Ca -0.05 0.72 0.01 0.00 0.05 0.00 0.00 55.36 56.08 3dpb s GLN 82 Cb -0.12 -3.67 0.11 0.00 1.10 0.00 0.00 33.01 30.43 3dpb s GLN 82 CO 0.02 -0.52 0.13 0.00 -0.55 0.00 0.00 175.29 174.37 3dpb s ALA 83 N 2.76 3.03 0.00 1.58 0.00 0.05 -4.88 121.76 124.30 3dpb s ALA 83 Ca 0.31 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.71 3dpb s ALA 83 Cb -0.15 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3dpb s ALA 83 CO 0.09 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.51 3dpb n GLY 84 N 4.38 0.01 0.09 0.00 0.00 -1.26 -4.58 105.19 103.83 3dpb n GLY 84 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3dpb n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpb n GLY 85 N 0.00 -2.93 3.08 -0.02 0.00 -1.26 -5.00 105.19 99.06 3dpb n GLY 85 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 3dpb n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dpb s VAL 86 N -3.46 1.55 0.16 1.61 1.01 -1.26 -5.08 120.40 114.94 3dpb s VAL 86 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.37 3dpb s VAL 86 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3dpb s VAL 86 CO 0.00 0.45 -0.17 -0.36 0.00 0.00 0.00 175.10 175.02 3dpb s PHE 87 N 0.82 1.71 0.61 5.22 0.40 -1.26 -5.14 117.98 120.34 3dpb s PHE 87 Ca -0.10 -0.51 -0.19 0.00 -0.60 0.00 0.00 56.93 55.54 3dpb s PHE 87 Cb -0.16 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.50 3dpb s PHE 87 CO 0.01 0.29 1.29 -1.25 0.70 0.00 0.00 175.22 176.26 3dpb s PRO 88 N -2.91 2.77 0.00 0.24 0.04 -1.26 -4.95 135.00 128.93 3dpb s PRO 88 Ca 0.15 2.04 0.14 0.00 0.04 0.00 0.00 61.00 63.37 3dpb s PRO 88 Cb -0.05 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3dpb s PRO 88 CO 0.06 -1.42 0.80 0.54 0.04 0.00 0.00 177.00 177.01 3dpb n ARG 89 N -1.66 1.71 -0.10 4.56 1.74 -1.26 -4.32 116.66 117.34 3dpb n ARG 89 Ca 0.14 -0.82 0.12 0.00 -0.77 0.00 0.00 57.85 56.52 3dpb n ARG 89 Cb 0.48 -1.22 0.17 0.00 -1.02 0.00 0.00 32.46 30.87 3dpb n ARG 89 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3dpb n ASP 90 N -0.04 3.19 -3.51 0.55 3.85 -1.26 -4.57 116.55 114.76 3dpb n ASP 90 Ca 0.06 -1.98 -0.11 0.00 -0.71 0.00 0.00 54.79 52.04 3dpb n ASP 90 Cb 0.30 -0.13 -0.03 0.00 -1.35 0.00 0.00 41.12 39.91 3dpb n ASP 90 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3dpb s LYS 91 N -1.74 0.90 0.67 0.11 -2.85 -1.26 -4.69 119.74 110.88 3dpb s LYS 91 Ca 0.34 -0.12 -0.17 0.00 -1.00 0.00 0.00 55.97 55.02 3dpb s LYS 91 Cb 0.21 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.41 3dpb s LYS 91 CO 0.31 -0.35 1.22 -1.21 0.10 0.00 0.00 175.35 175.42 3dpb s GLU 92 N -2.40 2.47 0.15 1.78 2.02 -0.19 -4.63 118.70 117.91 3dpb s GLU 92 Ca -0.00 1.82 0.10 0.00 0.02 0.00 0.00 54.97 56.91 3dpb s GLU 92 Cb -0.01 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 3dpb s GLU 92 CO -0.04 -1.60 -0.18 -1.12 0.02 0.00 0.00 175.26 172.34 3dpb s SER 93 N -1.81 3.83 -0.10 -0.19 0.01 -0.42 -4.87 113.70 110.15 3dpb s SER 93 Ca 0.77 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 57.41 3dpb s SER 93 Cb -0.31 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 3dpb s SER 93 CO 0.41 0.15 -0.21 -0.22 0.41 0.00 0.00 173.24 173.77 3dpb s LEU 94 N -2.44 2.25 0.43 2.44 2.96 -1.26 -0.29 118.68 122.76 3dpb s LEU 94 Ca 0.20 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3dpb s LEU 94 Cb -0.09 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3dpb s LEU 94 CO 0.11 0.19 0.08 -0.54 -1.32 0.00 0.00 176.35 174.87 3dpb s LYS 95 N 0.19 1.97 -0.05 1.98 -0.14 -0.00 -3.41 119.74 120.27 3dpb s LYS 95 Ca -0.13 -2.20 0.04 0.00 -1.36 0.00 0.00 55.97 52.32 3dpb s LYS 95 Cb -0.16 -0.93 -0.00 0.00 -1.68 0.00 0.00 37.83 35.05 3dpb s LYS 95 CO 0.07 -0.39 -0.16 -1.58 -0.76 0.00 0.00 175.35 172.52 3dpb s TRP 96 N -3.11 1.65 -0.30 3.18 0.52 -0.62 -0.01 118.94 120.25 3dpb s TRP 96 Ca 0.21 -0.50 -0.13 0.00 0.02 0.00 0.00 56.10 55.70 3dpb s TRP 96 Cb 0.03 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.20 3dpb s TRP 96 CO 0.12 -0.18 0.28 -1.17 0.02 0.00 0.00 176.95 176.01 3dpb s LEU 97 N 0.14 4.22 -0.22 2.99 2.96 0.07 -0.90 118.68 127.95 3dpb s LEU 97 Ca -0.06 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 3dpb s LEU 97 Cb -0.12 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 3dpb s LEU 97 CO 0.02 -0.18 0.06 0.00 -1.32 0.00 0.00 176.35 174.93 3dpb s VAL 99 N 1.08 2.90 -0.19 0.00 1.01 0.12 -2.03 120.40 123.29 3dpb s VAL 99 Ca 0.04 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 3dpb s VAL 99 Cb -0.14 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3dpb s VAL 99 CO 0.03 0.05 0.12 -0.75 0.00 0.00 0.00 175.10 174.55 3dpb s LYS 100 N 1.28 4.13 -0.45 2.72 2.20 0.27 0.34 119.74 130.23 3dpb s LYS 100 Ca -0.03 -0.22 -0.15 0.00 -0.36 0.00 0.00 55.97 55.20 3dpb s LYS 100 Cb -0.18 -3.39 0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3dpb s LYS 100 CO -0.03 0.33 0.36 0.20 -0.36 0.00 0.00 175.35 175.85 3dpb s GLY 101 N 0.28 2.03 -0.53 5.54 0.00 -0.03 -1.48 107.32 113.13 3dpb s GLY 101 Ca 0.08 -1.98 -0.22 0.00 0.00 0.00 0.00 44.72 42.60 3dpb s GLY 101 CO -0.01 1.01 0.82 -0.42 0.00 0.00 0.00 173.10 174.50 3dpb s ILE 102 N 1.66 4.58 0.86 0.90 1.01 0.83 -3.94 121.20 127.10 3dpb s ILE 102 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 3dpb s ILE 102 Cb -0.22 -4.44 0.11 0.00 0.01 0.00 0.00 42.46 37.91 3dpb s ILE 102 CO 0.08 -0.98 1.09 -2.84 0.00 0.00 0.00 174.94 172.30 3dpb s PRO 103 N 3.44 1.58 0.04 2.79 0.02 -1.26 -1.13 135.00 140.47 3dpb s PRO 103 Ca 0.25 0.75 -0.26 0.00 0.02 0.00 0.00 61.00 61.76 3dpb s PRO 103 Cb -0.15 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 3dpb s PRO 103 CO 0.17 -2.00 1.31 -1.35 -0.33 0.00 0.00 177.00 174.80 3dpb h PRO 104 N -1.37 -0.90 -1.38 5.54 0.11 -1.98 -3.46 132.00 128.56 3dpb h PRO 104 Ca -0.48 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3dpb h PRO 104 Cb 1.28 0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.59 3dpb h PRO 104 CO 0.56 -0.60 0.00 -3.47 -0.21 0.00 0.00 178.00 174.28 3dpb n ASP 125 N -4.68 0.00 -4.39 -2.05 2.03 -1.26 -5.16 116.55 101.05 3dpb n ASP 125 Ca -0.12 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.76 3dpb n ASP 125 Cb 0.37 -1.03 -0.09 0.00 -0.72 0.00 0.00 41.12 39.65 3dpb n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3dpb s VAL 126 N -2.21 5.08 -0.07 5.18 1.01 -1.26 -5.06 120.40 123.06 3dpb s VAL 126 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 3dpb s VAL 126 Cb 0.00 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3dpb s VAL 126 CO 0.00 -0.50 0.46 -0.83 0.00 0.00 0.00 175.10 174.23 3dpb s GLY 127 N 2.32 2.44 -0.19 4.51 0.00 -1.26 -5.07 107.32 110.07 3dpb s GLY 127 Ca 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.52 3dpb s GLY 127 CO 0.07 0.55 -0.01 0.14 0.00 0.00 0.00 173.10 173.85 3dpb s VAL 128 N -0.03 3.98 -0.24 1.40 1.01 -1.26 -5.08 120.40 120.18 3dpb s VAL 128 Ca 0.25 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3dpb s VAL 128 Cb -0.16 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.50 3dpb s VAL 128 CO 0.12 0.45 -0.05 -0.36 0.00 0.00 0.00 175.10 175.26 3dpb s PHE 129 N 0.78 2.44 -0.14 5.22 2.99 -1.26 -5.11 117.98 122.90 3dpb s PHE 129 Ca -0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 56.93 55.11 3dpb s PHE 129 Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 43.02 41.23 3dpb s PHE 129 CO 0.02 -0.79 -0.12 0.54 -0.00 0.00 0.00 175.22 174.87 3dpb s VAL 130 N 1.38 3.02 -0.08 -0.44 0.11 -1.26 -5.11 120.40 118.01 3dpb s VAL 130 Ca -0.05 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 3dpb s VAL 130 Cb -0.19 -2.28 -0.03 0.00 -1.53 0.00 0.00 36.38 32.35 3dpb s VAL 130 CO -0.07 0.51 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.61 3dpb s GLN 131 N 0.55 2.93 0.32 1.54 2.00 -1.26 -5.14 119.66 120.61 3dpb s GLN 131 Ca -0.08 -0.46 0.09 0.00 -2.00 0.00 0.00 55.36 52.91 3dpb s GLN 131 Cb -0.16 -2.73 -0.04 0.00 0.80 0.00 0.00 33.01 30.88 3dpb s GLN 131 CO 0.04 0.67 0.09 -0.06 -0.50 0.00 0.00 175.29 175.52 3dpb s PHE 132 N -0.80 2.69 -0.06 1.67 0.40 -1.26 -5.15 117.98 115.47 3dpb s PHE 132 Ca 0.12 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 56.05 3dpb s PHE 132 Cb -0.11 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.93 3dpb s PHE 132 CO 0.02 0.43 0.16 0.00 0.70 0.00 0.00 175.22 176.53 3dpb s ALA 133 N -2.41 -0.38 -0.04 5.36 0.00 -1.26 -4.67 121.76 118.36 3dpb s ALA 133 Ca 0.36 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 3dpb s ALA 133 Cb -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3dpb s ALA 133 CO 0.21 -0.09 0.73 0.42 0.00 0.00 0.00 175.76 177.03 3dpb s ILE 134 N 0.27 4.97 -0.36 0.00 -1.09 -1.25 -4.95 121.20 118.78 3dpb s ILE 134 Ca -0.02 1.51 -0.01 0.00 -2.23 0.00 0.00 60.65 59.90 3dpb s ILE 134 Cb -0.03 -4.07 0.09 0.00 -1.58 0.00 0.00 42.46 36.88 3dpb s ILE 134 CO -0.01 0.28 0.11 0.21 -1.23 0.00 0.00 174.94 174.30 3dpb s ASN 135 N 0.60 5.06 -0.39 3.58 2.47 -1.26 -0.85 114.94 124.15 3dpb s ASN 135 Ca 0.38 -1.81 -0.17 0.00 0.42 0.00 0.00 52.86 51.68 3dpb s ASN 135 Cb -0.18 -1.76 0.01 0.00 -1.45 0.00 0.00 41.25 37.86 3dpb s ASN 135 CO 0.20 -0.43 0.45 0.21 -3.72 0.00 0.00 177.10 173.81 3dpb s ASN 136 N 1.50 6.23 -0.11 -4.21 3.84 0.15 -4.84 114.94 117.51 3dpb s ASN 136 Ca 0.04 -0.39 -0.00 0.00 0.21 0.00 0.00 52.86 52.72 3dpb s ASN 136 Cb -0.21 -2.23 -0.03 0.00 -0.55 0.00 0.00 41.25 38.23 3dpb s ASN 136 CO -0.04 -0.51 -0.08 0.00 -2.79 0.00 0.00 177.10 173.68 3dpb s ILE 138 N -0.21 1.44 0.23 0.00 -4.36 0.44 -4.98 121.20 113.77 3dpb s ILE 138 Ca 0.02 -1.76 -0.30 0.00 -0.26 0.00 0.00 60.65 58.35 3dpb s ILE 138 Cb -0.13 -1.60 -0.10 0.00 1.25 0.00 0.00 42.46 41.88 3dpb s ILE 138 CO 0.03 -0.39 1.46 -0.54 0.24 0.00 0.00 174.94 175.74 3dpb s LYS 139 N -2.68 4.26 -0.35 0.37 1.02 -1.26 -0.75 119.74 120.35 3dpb s LYS 139 Ca 0.10 2.31 -0.03 0.00 0.02 0.00 0.00 55.97 58.37 3dpb s LYS 139 Cb -0.05 -3.12 0.07 0.00 -0.52 0.00 0.00 37.83 34.21 3dpb s LYS 139 CO 0.04 -0.46 0.10 -1.17 -0.92 0.00 0.00 175.35 172.94 3dpb s LEU 140 N -0.06 4.48 -0.36 3.17 2.96 0.99 -0.36 118.68 129.49 3dpb s LEU 140 Ca 0.61 -1.50 -0.12 0.00 -0.22 0.00 0.00 54.13 52.90 3dpb s LEU 140 Cb -0.42 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.49 3dpb s LEU 140 CO 0.41 -0.38 0.22 -0.76 -1.32 0.00 0.00 176.35 174.52 3dpb s LEU 141 N 1.26 4.64 -0.30 -0.68 1.43 0.16 -0.82 118.68 124.36 3dpb s LEU 141 Ca 0.00 -0.76 -0.25 0.00 -1.03 0.00 0.00 54.13 52.09 3dpb s LEU 141 Cb -0.21 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3dpb s LEU 141 CO -0.01 -0.33 0.87 -0.69 0.23 0.00 0.00 176.35 176.41 3dpb s VAL 142 N 1.63 4.72 -0.29 -1.59 1.01 0.60 -0.04 120.40 126.44 3dpb s VAL 142 Ca 0.04 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.39 3dpb s VAL 142 Cb -0.18 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.05 3dpb s VAL 142 CO 0.08 -0.29 -0.03 -0.60 0.00 0.00 0.00 175.10 174.25 3dpb s ARG 143 N 3.12 2.20 0.32 2.72 3.52 -0.15 -1.30 118.95 129.38 3dpb s ARG 143 Ca 0.36 -1.41 -0.29 0.00 -0.13 0.00 0.00 55.73 54.26 3dpb s ARG 143 Cb -0.14 -3.07 -0.12 0.00 -1.56 0.00 0.00 34.95 30.06 3dpb s ARG 143 CO 0.13 -0.66 1.34 -2.30 -0.81 0.00 0.00 175.30 172.99 3dpb n PRO 144 N 4.48 2.18 0.31 5.12 -0.02 -1.26 -1.15 135.00 144.66 3dpb n PRO 144 Ca -0.11 0.77 0.20 0.00 -2.02 0.00 0.00 63.50 62.34 3dpb n PRO 144 Cb 0.42 -2.38 0.96 0.00 -0.02 0.00 0.00 33.50 32.49 3dpb n PRO 144 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3dpb h ASN 145 N 2.99 0.00 0.45 2.55 2.35 -1.92 -2.57 115.58 119.43 3dpb h ASN 145 Ca -0.46 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3dpb h ASN 145 Cb 1.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 3dpb h ASN 145 CO 0.66 0.01 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.10 3dpb h GLU 146 N 0.00 0.00 -6.75 0.81 3.07 -1.89 -3.43 114.58 106.39 3dpb h GLU 146 Ca -0.00 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.37 3dpb h GLU 146 Cb 0.24 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3dpb h GLU 146 CO 0.00 0.02 0.36 -0.51 -1.40 0.00 0.00 179.01 177.48 3dpb s LEU 147 N -6.35 4.64 -0.17 1.33 1.43 -0.97 -5.03 118.68 113.56 3dpb s LEU 147 Ca -0.02 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 54.98 3dpb s LEU 147 Cb 0.11 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 3dpb s LEU 147 CO 0.49 0.14 0.04 -0.54 0.23 0.00 0.00 176.35 176.71 3dpb s LYS 148 N -1.17 3.87 1.92 1.70 -0.14 -1.26 -4.99 119.74 119.67 3dpb s LYS 148 Ca 0.41 -0.37 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 3dpb s LYS 148 Cb -0.26 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 3dpb s LYS 148 CO 0.32 0.30 0.00 0.41 -0.76 0.00 0.00 175.35 175.62 3dpb n GLY 149 N 3.43 -1.49 3.17 -3.33 0.00 -1.26 -5.01 105.19 100.71 3dpb n GLY 149 Ca -0.17 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3dpb n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dpb s THR 150 N 0.00 0.08 0.36 2.61 -4.23 -1.26 -5.06 115.64 108.14 3dpb s THR 150 Ca 0.00 -1.94 0.12 0.00 -1.18 0.00 0.00 61.69 58.69 3dpb s THR 150 Cb 0.00 -2.19 0.34 0.00 1.34 0.00 0.00 72.50 72.00 3dpb s THR 150 CO 0.00 -0.32 1.81 -0.65 -0.54 0.00 0.00 174.62 174.92 3dpb h PRO 151 N 2.79 0.57 0.00 3.99 0.11 -1.95 -2.16 132.00 135.35 3dpb h PRO 151 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3dpb h PRO 151 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3dpb h PRO 151 CO 0.57 0.38 0.00 -0.84 -0.21 0.00 0.00 178.00 177.90 3dpb h ILE 152 N 0.59 0.00 0.00 4.15 3.07 -1.97 0.75 117.51 124.10 3dpb h ILE 152 Ca 0.54 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.60 3dpb h ILE 152 Cb 1.07 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 3dpb h ILE 152 CO -0.29 0.00 0.00 1.56 -1.05 0.00 0.00 178.15 178.37 3dpb h GLN 153 N 0.00 0.00 0.00 0.16 4.20 -1.81 -3.32 115.11 114.34 3dpb h GLN 153 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dpb h GLN 153 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3dpb h GLN 153 CO 0.00 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.35 3dpb n PHE 154 N -3.08 0.00 0.05 2.96 3.01 0.10 -4.76 117.46 115.74 3dpb n PHE 154 Ca 0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.56 3dpb n PHE 154 Cb 0.35 0.00 0.53 0.00 -0.01 0.00 0.00 39.48 40.36 3dpb n PHE 154 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dpb h ALA 155 N 0.00 1.95 0.00 4.37 0.00 -1.22 0.14 119.26 124.50 3dpb h ALA 155 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dpb h ALA 155 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dpb h ALA 155 CO 0.00 -0.01 0.00 1.49 0.00 0.00 0.00 179.25 180.73 3dpb h GLU 156 N 0.30 0.00 0.00 0.00 4.81 -1.85 -3.25 114.58 114.59 3dpb h GLU 156 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3dpb h GLU 156 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3dpb h GLU 156 CO -0.03 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.34 3dpb n ASN 157 N -2.83 0.00 -4.77 1.04 3.02 0.49 -4.82 115.26 107.40 3dpb n ASN 157 Ca 0.01 -0.80 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 3dpb n ASN 157 Cb 0.31 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 3dpb n ASN 157 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dpb s LEU 158 N -1.89 4.46 0.29 3.41 1.43 -1.23 -4.57 118.68 120.58 3dpb s LEU 158 Ca 0.31 2.57 0.11 0.00 -1.03 0.00 0.00 54.13 56.09 3dpb s LEU 158 Cb 0.14 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 3dpb s LEU 158 CO 0.24 -0.44 -0.12 -0.94 0.23 0.00 0.00 176.35 175.32 3dpb s SER 159 N -0.55 3.93 0.04 2.29 1.04 -0.90 -4.97 113.70 114.57 3dpb s SER 159 Ca 0.48 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 56.02 3dpb s SER 159 Cb -0.38 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 3dpb s SER 159 CO 0.49 -0.02 -0.11 0.26 0.98 0.00 0.00 173.24 174.85 3dpb s TRP 160 N -2.47 0.92 0.05 5.02 0.52 -1.26 -0.65 118.94 121.08 3dpb s TRP 160 Ca 0.31 -0.38 -0.16 0.00 0.02 0.00 0.00 56.10 55.89 3dpb s TRP 160 Cb -0.04 -0.55 0.03 0.00 -1.15 0.00 0.00 33.47 31.76 3dpb s TRP 160 CO 0.17 -0.01 0.37 -1.59 0.02 0.00 0.00 176.95 175.91 3dpb s LYS 161 N -1.23 0.89 -0.19 4.98 -2.85 -0.89 -1.95 119.74 118.50 3dpb s LYS 161 Ca -0.03 -0.45 -0.10 0.00 -1.00 0.00 0.00 55.97 54.40 3dpb s LYS 161 Cb -0.08 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 3dpb s LYS 161 CO 0.01 -0.30 0.13 0.08 0.10 0.00 0.00 175.35 175.37 3dpb s VAL 162 N -2.62 5.43 -0.22 1.79 1.01 -1.26 -0.52 120.40 124.00 3dpb s VAL 162 Ca -0.04 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 3dpb s VAL 162 Cb -0.01 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 33.00 3dpb s VAL 162 CO -0.04 0.47 0.78 -0.62 0.00 0.00 0.00 175.10 175.69 3dpb s ASP 163 N 0.12 -0.66 -2.11 3.32 2.15 -0.79 -4.91 116.67 113.79 3dpb s ASP 163 Ca 0.09 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.21 3dpb s ASP 163 Cb -0.11 1.10 0.00 0.00 -0.30 0.00 0.00 42.92 43.61 3dpb s ASP 163 CO -0.01 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.28 3dpb n GLY 164 N 2.11 1.69 2.07 2.66 0.00 -1.26 -1.15 105.19 111.30 3dpb n GLY 164 Ca -0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 3dpb n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpb n GLY 165 N -0.54 0.47 3.24 -0.02 0.00 -1.26 -5.03 105.19 102.05 3dpb n GLY 165 Ca -0.21 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 3dpb n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpb s LYS 166 N -0.45 1.26 -0.21 1.61 1.02 -0.30 -4.46 119.74 118.21 3dpb s LYS 166 Ca 0.00 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.76 3dpb s LYS 166 Cb 0.00 -1.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 3dpb s LYS 166 CO 0.00 0.34 1.36 -1.17 -0.92 0.00 0.00 175.35 174.97 3dpb s LEU 167 N -1.29 4.05 -0.27 3.17 2.96 -0.23 -1.89 118.68 125.18 3dpb s LEU 167 Ca 0.06 1.56 -0.04 0.00 -0.22 0.00 0.00 54.13 55.49 3dpb s LEU 167 Cb -0.09 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.09 3dpb s LEU 167 CO 0.02 -0.96 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.46 3dpb s ILE 168 N 4.11 3.30 -0.03 6.68 1.01 0.32 0.11 121.20 136.70 3dpb s ILE 168 Ca 0.59 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 60.11 3dpb s ILE 168 Cb -0.21 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 3dpb s ILE 168 CO 0.21 0.13 0.61 0.00 0.00 0.00 0.00 174.94 175.89 3dpb s ALA 169 N 1.39 3.45 -0.13 9.38 0.00 -0.14 -2.09 121.76 133.61 3dpb s ALA 169 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 3dpb s ALA 169 Cb -0.17 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3dpb s ALA 169 CO -0.02 0.08 -0.09 -2.00 0.00 0.00 0.00 175.76 173.74 3dpb s GLU 170 N 0.13 3.43 -0.44 0.00 2.12 0.18 -1.48 118.70 122.65 3dpb s GLU 170 Ca 0.32 -0.61 -0.04 0.00 0.36 0.00 0.00 54.97 55.01 3dpb s GLU 170 Cb -0.18 -2.74 0.12 0.00 0.26 0.00 0.00 34.13 31.59 3dpb s GLU 170 CO 0.17 0.28 0.24 1.21 -0.54 0.00 0.00 175.26 176.62 3dpb s ASN 171 N 0.22 5.30 0.00 -1.70 2.47 -0.40 -2.12 114.94 118.71 3dpb s ASN 171 Ca -0.06 -2.10 0.29 0.00 0.42 0.00 0.00 52.86 51.42 3dpb s ASN 171 Cb -0.15 -1.85 1.35 0.00 -1.45 0.00 0.00 41.25 39.15 3dpb s ASN 171 CO 0.04 -0.54 1.98 -0.81 -3.72 0.00 0.00 177.10 174.05 3dpb n PRO 172 N 4.52 0.17 -1.80 0.43 -0.04 -1.26 -1.35 135.00 135.66 3dpb n PRO 172 Ca -0.02 -0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.14 3dpb n PRO 172 Cb 0.41 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3dpb n PRO 172 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dpb s SER 173 N -2.83 5.63 0.00 3.54 1.04 -1.26 -4.56 113.70 115.26 3dpb s SER 173 Ca 0.20 1.32 0.10 0.00 0.48 0.00 0.00 55.95 58.04 3dpb s SER 173 Cb 0.20 -2.21 0.52 0.00 0.10 0.00 0.00 66.02 64.62 3dpb s SER 173 CO 0.50 -1.24 1.34 -0.81 0.98 0.00 0.00 173.24 174.01 3dpb n PRO 174 N -2.97 1.12 -4.50 4.02 -0.04 -1.26 -1.05 135.00 130.31 3dpb n PRO 174 Ca 0.07 -0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.01 3dpb n PRO 174 Cb 0.55 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 3dpb n PRO 174 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dpb s PHE 175 N -1.95 2.99 0.06 0.54 0.40 -1.26 -1.02 117.98 117.74 3dpb s PHE 175 Ca 0.15 0.05 -0.34 0.00 -0.60 0.00 0.00 56.93 56.19 3dpb s PHE 175 Cb 0.07 -1.70 -0.13 0.00 0.51 0.00 0.00 43.02 41.77 3dpb s PHE 175 CO 0.12 0.38 1.70 0.66 0.70 0.00 0.00 175.22 178.78 3dpb n TYR 176 N 1.98 2.28 -3.40 0.36 4.02 -1.26 -4.07 117.16 117.07 3dpb n TYR 176 Ca -0.17 0.16 -0.44 0.00 -0.01 0.00 0.00 57.90 57.44 3dpb n TYR 176 Cb 0.53 -2.59 -0.06 0.00 -0.02 0.00 0.00 39.34 37.20 3dpb n TYR 176 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 3dpb s MET 177 N 2.19 2.83 -0.93 -0.72 -1.94 -0.80 -4.93 119.30 115.00 3dpb s MET 177 Ca 0.85 -1.76 -0.18 0.00 -1.71 0.00 0.00 55.69 52.88 3dpb s MET 177 Cb -0.69 -4.17 0.14 0.00 2.01 0.00 0.00 34.83 32.12 3dpb s MET 177 CO 0.44 -1.28 1.11 -0.80 -0.01 0.00 0.00 175.02 174.47 3dpb s ASN 178 N 3.22 6.66 0.24 3.03 0.02 -1.26 -0.48 114.94 126.37 3dpb s ASN 178 Ca 0.05 -2.14 -0.30 0.00 -1.02 0.00 0.00 52.86 49.44 3dpb s ASN 178 Cb -0.28 -2.38 -0.11 0.00 0.02 0.00 0.00 41.25 38.50 3dpb s ASN 178 CO 0.01 -1.01 1.54 -0.63 0.02 0.00 0.00 177.10 177.03 3dpb s ILE 179 N 2.43 2.41 -0.28 0.60 -1.09 -1.25 -0.25 121.20 123.76 3dpb s ILE 179 Ca 0.32 0.33 0.03 0.00 -2.23 0.00 0.00 60.65 59.10 3dpb s ILE 179 Cb -0.05 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.61 3dpb s ILE 179 CO -0.09 0.04 0.33 0.61 -1.23 0.00 0.00 174.94 174.61 3dpb n GLY 180 N 2.63 -0.05 3.59 6.18 0.00 0.11 -4.37 105.19 113.29 3dpb n GLY 180 Ca 0.09 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3dpb n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dpb s GLU 181 N -0.89 0.62 -0.04 1.61 2.12 -1.14 -4.90 118.70 116.07 3dpb s GLU 181 Ca 0.02 1.25 -0.01 0.00 0.36 0.00 0.00 54.97 56.60 3dpb s GLU 181 Cb 0.03 0.36 0.03 0.00 0.26 0.00 0.00 34.13 34.81 3dpb s GLU 181 CO 0.10 -0.17 0.08 -1.17 -0.54 0.00 0.00 175.26 173.55 3dpb s LEU 182 N 2.05 0.81 -0.04 2.70 2.96 -1.26 -1.43 118.68 124.47 3dpb s LEU 182 Ca -0.08 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3dpb s LEU 182 Cb -0.08 0.07 0.01 0.00 0.50 0.00 0.00 46.19 46.70 3dpb s LEU 182 CO -0.19 -0.15 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.72 3dpb s THR 183 N 1.29 0.78 -0.13 3.68 2.01 0.53 -1.66 115.64 122.13 3dpb s THR 183 Ca -0.07 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 3dpb s THR 183 Cb -0.12 -0.73 0.03 0.00 0.01 0.00 0.00 72.50 71.69 3dpb s THR 183 CO -0.04 0.26 -0.08 0.12 -0.69 0.00 0.00 174.62 174.19 3dpb s PHE 184 N 0.50 1.64 -1.65 4.92 5.36 -0.65 -0.17 117.98 127.94 3dpb s PHE 184 Ca -0.08 -0.91 -0.03 0.00 -0.96 0.00 0.00 56.93 54.95 3dpb s PHE 184 Cb -0.12 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 3dpb s PHE 184 CO 0.01 -0.57 0.37 0.41 -1.46 0.00 0.00 175.22 173.99 3dpb n GLY 185 N 4.90 -0.52 3.13 13.12 0.00 -0.88 -1.91 105.19 123.03 3dpb n GLY 185 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3dpb n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpb n GLY 186 N -1.33 0.86 3.82 -0.02 0.00 -1.26 -5.02 105.19 102.23 3dpb n GLY 186 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3dpb n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpb s LYS 187 N -0.14 3.75 0.06 1.61 1.02 -0.80 -5.08 119.74 120.16 3dpb s LYS 187 Ca 0.00 -0.12 -0.31 0.00 0.02 0.00 0.00 55.97 55.56 3dpb s LYS 187 Cb 0.00 -3.28 -0.07 0.00 -0.52 0.00 0.00 37.83 33.96 3dpb s LYS 187 CO 0.00 0.59 1.47 -1.12 -0.92 0.00 0.00 175.35 175.37 3dpb s SER 188 N -0.50 6.77 -0.21 2.83 0.01 -1.26 -1.63 113.70 119.71 3dpb s SER 188 Ca 0.13 2.29 -0.05 0.00 1.31 0.00 0.00 55.95 59.63 3dpb s SER 188 Cb -0.12 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 3dpb s SER 188 CO 0.02 -0.75 0.00 -0.63 0.41 0.00 0.00 173.24 172.30 3dpb s ILE 189 N 2.00 3.94 0.12 1.44 -1.09 -0.67 -4.96 121.20 121.99 3dpb s ILE 189 Ca 0.67 -0.31 -0.32 0.00 -2.23 0.00 0.00 60.65 58.45 3dpb s ILE 189 Cb -0.36 -2.79 -0.12 0.00 -1.58 0.00 0.00 42.46 37.62 3dpb s ILE 189 CO 0.29 0.42 1.76 -0.81 -1.23 0.00 0.00 174.94 175.37 3dpb n PRO 190 N 4.33 2.55 -1.03 2.79 -0.04 -1.26 -4.12 135.00 138.22 3dpb n PRO 190 Ca -0.17 0.92 -0.30 0.00 -0.04 0.00 0.00 63.50 63.92 3dpb n PRO 190 Cb 0.52 -2.77 0.16 0.00 -0.04 0.00 0.00 33.50 31.36 3dpb n PRO 190 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3dpb s SER 191 N 2.18 3.05 0.02 3.54 0.01 -1.26 -5.01 113.70 116.22 3dpb s SER 191 Ca 0.81 1.61 -0.21 0.00 1.31 0.00 0.00 55.95 59.47 3dpb s SER 191 Cb -0.56 -2.26 0.04 0.00 0.21 0.00 0.00 66.02 63.45 3dpb s SER 191 CO 0.38 -2.92 0.47 -2.28 0.41 0.00 0.00 173.24 169.30 3dpb s HIS 192 N -2.82 -0.36 0.75 2.43 2.46 -1.26 -5.06 115.29 111.43 3dpb s HIS 192 Ca 0.65 0.45 -0.15 0.00 0.47 0.00 0.00 55.06 56.48 3dpb s HIS 192 Cb -0.20 0.26 0.05 0.00 -0.13 0.00 0.00 32.58 32.57 3dpb s HIS 192 CO 0.58 -0.57 1.24 1.52 -2.47 0.00 0.00 174.74 175.04 3dpb s TYR 193 N -2.05 1.91 -0.24 3.88 -0.85 -1.26 -3.88 117.35 114.85 3dpb s TYR 193 Ca -0.08 1.60 -0.04 0.00 -0.52 0.00 0.00 57.07 58.03 3dpb s TYR 193 Cb -0.01 -3.56 0.00 0.00 0.38 0.00 0.00 41.96 38.76 3dpb s TYR 193 CO 0.01 -2.88 -0.02 0.42 -1.52 0.00 0.00 175.55 171.56 3dpb s ILE 194 N -1.86 3.40 0.82 -3.49 -1.09 0.37 -4.86 121.20 114.49 3dpb s ILE 194 Ca 0.77 -0.64 -0.11 0.00 -2.23 0.00 0.00 60.65 58.44 3dpb s ILE 194 Cb -0.32 -2.63 0.09 0.00 -1.58 0.00 0.00 42.46 38.02 3dpb s ILE 194 CO 0.46 0.31 1.11 -2.84 -1.23 0.00 0.00 174.94 172.75 3dpb s PRO 195 N 1.45 1.84 0.50 2.79 0.02 -1.26 -1.91 135.00 138.43 3dpb s PRO 195 Ca 0.04 1.32 -0.23 0.00 0.02 0.00 0.00 61.00 62.14 3dpb s PRO 195 Cb -0.15 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 3dpb s PRO 195 CO -0.02 -1.98 1.32 -1.25 -0.33 0.00 0.00 177.00 174.74 3dpb s PRO 196 N -4.78 3.45 -1.70 5.54 0.05 -1.26 -3.10 135.00 133.21 3dpb s PRO 196 Ca 0.63 2.16 -0.19 0.00 0.05 0.00 0.00 61.00 63.65 3dpb s PRO 196 Cb -0.19 -2.41 0.16 0.00 0.05 0.00 0.00 34.50 32.11 3dpb s PRO 196 CO 0.56 -0.91 0.77 1.63 0.05 0.00 0.00 177.00 179.10 3dpb n LYS 197 N -0.65 -3.02 -0.29 4.56 4.01 -0.21 -4.87 118.16 117.70 3dpb n LYS 197 Ca 0.08 0.36 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 3dpb n LYS 197 Cb 0.45 -5.09 0.00 0.00 -0.51 0.00 0.00 35.03 29.88 3dpb n LYS 197 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3dpb n SER 198 N -2.62 0.00 -4.18 4.39 2.88 -0.97 -4.97 113.62 108.15 3dpb n SER 198 Ca 0.08 -0.22 -0.12 0.00 -1.33 0.00 0.00 58.87 57.28 3dpb n SER 198 Cb 0.49 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 3dpb n SER 198 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dpb s THR 199 N -2.47 0.84 0.02 2.46 -4.23 -1.26 -1.28 115.64 109.72 3dpb s THR 199 Ca 0.00 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 3dpb s THR 199 Cb 0.00 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 3dpb s THR 199 CO 0.00 -0.73 -0.13 0.86 -0.54 0.00 0.00 174.62 174.08 3dpb s TRP 200 N -3.10 1.16 -0.26 3.99 -0.11 -0.55 -4.60 118.94 115.47 3dpb s TRP 200 Ca 0.10 -0.29 -0.08 0.00 1.22 0.00 0.00 56.10 57.05 3dpb s TRP 200 Cb 0.02 -0.72 -0.02 0.00 -1.50 0.00 0.00 33.47 31.25 3dpb s TRP 200 CO -0.02 0.01 0.09 0.00 -4.62 0.00 0.00 176.95 172.41 3dpb s ALA 201 N -0.61 3.19 -0.08 5.86 0.00 -1.26 -0.97 121.76 127.90 3dpb s ALA 201 Ca 0.03 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 3dpb s ALA 201 Cb -0.06 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 3dpb s ALA 201 CO 0.00 -0.58 0.17 -0.06 0.00 0.00 0.00 175.76 175.29 3dpb s PHE 202 N 1.61 3.59 0.91 0.00 0.40 0.12 -4.96 117.98 119.65 3dpb s PHE 202 Ca 0.06 0.52 -0.12 0.00 -0.60 0.00 0.00 56.93 56.79 3dpb s PHE 202 Cb -0.16 -1.94 0.13 0.00 0.51 0.00 0.00 43.02 41.57 3dpb s PHE 202 CO 0.04 0.71 1.10 -0.51 0.70 0.00 0.00 175.22 177.26 3dpb s ASP 203 N -1.28 3.43 0.00 1.36 -0.00 -1.26 -1.07 116.67 117.85 3dpb s ASP 203 Ca 0.19 1.32 0.00 0.00 -0.00 0.00 0.00 52.55 54.06 3dpb s ASP 203 Cb -0.12 -2.00 0.00 0.00 -0.00 0.00 0.00 42.92 40.80 3dpb s ASP 203 CO 0.09 -2.64 0.00 0.18 -0.00 0.00 0.00 175.17 172.80 3dpb n LEU 204 N -3.87 0.00 0.00 1.23 4.77 -1.26 -4.71 117.00 113.16 3dpb n LEU 204 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3dpb n LEU 204 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3dpb n LEU 204 CO 0.56 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.62 3dpb n ALA 211 N -3.00 0.00 -0.00 -1.18 0.00 -1.26 -5.16 120.51 109.90 3dpb n ALA 211 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3dpb n ALA 211 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dpb n ALA 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dpb n ARG 212 N 0.71 0.02 -2.44 0.00 1.74 -1.26 -4.90 116.66 110.53 3dpb n ARG 212 Ca 0.00 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3dpb n ARG 212 Cb 0.00 -0.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 3dpb n ARG 212 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dpb s ASN 213 N -4.71 7.05 -0.15 0.55 2.47 -1.26 0.15 114.94 119.04 3dpb s ASN 213 Ca -0.01 1.88 -0.03 0.00 0.42 0.00 0.00 52.86 55.12 3dpb s ASN 213 Cb 0.00 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 37.21 3dpb s ASN 213 CO 0.01 -0.56 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.09 3dpb s VAL 214 N 1.96 3.81 -0.07 -5.21 1.01 0.72 -2.07 120.40 120.54 3dpb s VAL 214 Ca 0.57 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3dpb s VAL 214 Cb -0.26 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3dpb s VAL 214 CO 0.24 0.50 -0.23 -0.44 0.00 0.00 0.00 175.10 175.17 3dpb s SER 215 N 0.34 3.22 0.03 3.32 0.01 0.77 -2.25 113.70 119.15 3dpb s SER 215 Ca -0.05 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 3dpb s SER 215 Cb -0.14 -1.05 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 3dpb s SER 215 CO 0.03 0.22 0.07 -1.66 0.41 0.00 0.00 173.24 172.31 3dpb s TRP 216 N -0.04 0.24 -0.05 2.43 -2.14 -0.56 -0.35 118.94 118.47 3dpb s TRP 216 Ca -0.07 -0.55 0.03 0.00 2.66 0.00 0.00 56.10 58.17 3dpb s TRP 216 Cb -0.15 -0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.06 3dpb s TRP 216 CO 0.05 -0.34 -0.14 1.03 -2.66 0.00 0.00 176.95 174.89 3dpb s ARG 217 N -2.52 1.58 0.62 3.25 0.52 -0.52 -1.36 118.95 120.52 3dpb s ARG 217 Ca -0.06 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 3dpb s ARG 217 Cb -0.02 -1.36 0.03 0.00 0.52 0.00 0.00 34.95 34.12 3dpb s ARG 217 CO -0.04 0.14 0.91 0.96 0.02 0.00 0.00 175.30 177.29 3dpb s ILE 218 N 0.28 3.04 -0.18 1.52 -4.36 -1.26 0.04 121.20 120.27 3dpb s ILE 218 Ca -0.07 -0.21 -0.14 0.00 -0.26 0.00 0.00 60.65 59.97 3dpb s ILE 218 Cb -0.12 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.31 3dpb s ILE 218 CO 0.02 -0.23 0.30 -0.63 0.24 0.00 0.00 174.94 174.65 3dpb s ILE 219 N -3.03 5.29 0.95 8.37 -1.09 0.65 -0.96 121.20 131.37 3dpb s ILE 219 Ca 0.56 0.53 -0.15 0.00 -2.23 0.00 0.00 60.65 59.37 3dpb s ILE 219 Cb -0.11 -3.64 0.18 0.00 -1.58 0.00 0.00 42.46 37.31 3dpb s ILE 219 CO 0.44 0.34 1.26 0.54 -1.23 0.00 0.00 174.94 176.30 3dpb s ASN 220 N 0.72 3.26 0.64 3.58 2.20 0.63 -4.63 114.94 121.34 3dpb s ASN 220 Ca 0.16 0.45 0.38 0.00 -0.94 0.00 0.00 52.86 52.90 3dpb s ASN 220 Cb -0.13 -0.64 2.12 0.00 -2.00 0.00 0.00 41.25 40.59 3dpb s ASN 220 CO 0.05 -2.66 2.28 0.44 -2.94 0.00 0.00 177.10 174.27 3dpb h ASP 221 N -1.58 0.00 -0.03 3.54 3.32 -1.99 -2.05 116.42 117.63 3dpb h ASP 221 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3dpb h ASP 221 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3dpb h ASP 221 CO 0.45 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 3dpb n GLN 222 N -3.37 2.05 -0.39 3.56 3.00 -1.26 -4.80 117.38 116.16 3dpb n GLN 222 Ca -0.02 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.45 3dpb n GLN 222 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.89 3dpb n GLN 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dpb n GLY 223 N 1.28 0.76 3.87 1.08 0.00 -0.77 -4.77 105.19 106.63 3dpb n GLY 223 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3dpb n GLY 223 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dpb s GLY 224 N -1.77 2.33 -0.04 -0.02 0.00 -1.26 -4.81 107.32 101.76 3dpb s GLY 224 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 3dpb s GLY 224 CO 0.00 -0.07 1.28 1.08 0.00 0.00 0.00 173.10 175.40 3dpb s LEU 225 N -2.51 4.29 0.00 0.66 1.43 -1.26 -0.27 118.68 121.02 3dpb s LEU 225 Ca 0.43 1.93 -0.07 0.00 -1.03 0.00 0.00 54.13 55.40 3dpb s LEU 225 Cb -0.12 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.67 3dpb s LEU 225 CO 0.20 -0.65 0.85 -0.67 0.23 0.00 0.00 176.35 176.32 3dpb n ASP 226 N 5.34 0.45 -4.77 2.29 2.03 -0.13 -4.93 116.55 116.83 3dpb n ASP 226 Ca 0.12 -1.54 -0.32 0.00 0.52 0.00 0.00 54.79 53.57 3dpb n ASP 226 Cb 0.45 -0.61 0.08 0.00 -0.72 0.00 0.00 41.12 40.32 3dpb n ASP 226 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dpb s ARG 227 N -4.75 2.42 0.13 -0.67 1.70 -1.26 -4.71 118.95 111.82 3dpb s ARG 227 Ca 0.51 1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 56.70 3dpb s ARG 227 Cb -0.02 -1.91 -0.07 0.00 -0.57 0.00 0.00 34.95 32.38 3dpb s ARG 227 CO 0.35 -1.52 1.05 -1.17 -1.08 0.00 0.00 175.30 172.93 3dpb s LEU 228 N -5.60 4.48 0.18 -1.89 2.96 -1.26 -4.52 118.68 113.02 3dpb s LEU 228 Ca 0.63 1.95 0.10 0.00 -0.22 0.00 0.00 54.13 56.59 3dpb s LEU 228 Cb -0.18 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 3dpb s LEU 228 CO 0.52 -0.19 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.85 3dpb s TYR 229 N 0.03 1.98 0.01 5.38 1.51 -0.47 -4.99 117.35 120.80 3dpb s TYR 229 Ca 0.49 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 56.09 3dpb s TYR 229 Cb -0.27 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.60 3dpb s TYR 229 CO 0.32 0.40 0.06 -1.12 -1.11 0.00 0.00 175.55 174.11 3dpb s SER 230 N -2.73 0.10 0.06 2.29 0.01 -1.26 -1.50 113.70 110.68 3dpb s SER 230 Ca 0.18 -0.30 -0.21 0.00 1.31 0.00 0.00 55.95 56.93 3dpb s SER 230 Cb -0.06 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.38 3dpb s SER 230 CO 0.08 -0.31 0.50 -0.54 0.41 0.00 0.00 173.24 173.38 3dpb s LYS 231 N -1.29 1.04 0.46 12.44 1.02 -0.95 -5.00 119.74 127.45 3dpb s LYS 231 Ca -0.14 -0.30 -0.19 0.00 0.02 0.00 0.00 55.97 55.37 3dpb s LYS 231 Cb -0.08 0.47 -0.09 0.00 -0.52 0.00 0.00 37.83 37.61 3dpb s LYS 231 CO 0.00 -0.38 0.95 -0.80 -0.92 0.00 0.00 175.35 174.20 3dpb s ASN 232 N -2.08 6.79 0.64 2.83 0.01 -1.26 -0.20 114.94 121.67 3dpb s ASN 232 Ca -0.04 1.60 -0.18 0.00 -0.71 0.00 0.00 52.86 53.53 3dpb s ASN 232 Cb -0.00 -2.51 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 3dpb s ASN 232 CO -0.03 -0.45 1.24 0.68 -1.51 0.00 0.00 177.10 177.03 3dpb s VAL 233 N -2.36 2.36 -2.00 1.60 -7.23 0.12 -4.78 120.40 108.11 3dpb s VAL 233 Ca 0.60 0.21 0.23 0.00 -1.81 0.00 0.00 61.98 61.21 3dpb s VAL 233 Cb -0.09 -3.02 0.66 0.00 0.56 0.00 0.00 36.38 34.49 3dpb s VAL 233 CO 0.21 -0.06 1.76 0.35 -0.31 0.00 0.00 175.10 177.05